Ac GTH-PBE-q11
    4    6    1
     0.49000000    2    50.86278137    -5.56775618
    4
     0.44384106    3    -0.55259847     0.36562397     0.25928729
                                       -0.05028771    -0.66947689
                                                       0.53138081
     0.41295605    3     5.60565848   -12.44607652     6.23145651
                                       25.10082107   -14.74631754
                                                      10.48028621
     0.78831284    2     0.23978903     0.59309731
                                       -0.67250914
     0.33073367    1   -15.95176502
