atoms_trigger = False
text = ''
with open('database.crgsiz', 'r') as f:
    for line in f:
        
        cols = line.split()
        atom = cols[0]
        atom2 = cols[3]
        if atom != atom2:
            print(line)
            print('WARNING')
            exit()
        res  = cols[1]
        crg  = float(cols[2])
        siz  = float(cols[5])

        print(f'{res:7} {atom:8} {crg:8>f}       {siz:>.4f}  {atom}')
