@MOLECULE azathioprine 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.1311 -1.3556 0.8318 S.3 1 UNL1 0.4780 2 O -0.7618 1.2637 1.4744 O.2 1 UNL1 -0.3827 3 O -2.4126 2.4699 0.7865 O.2 1 UNL1 -0.3162 4 N -2.2795 -2.0417 -0.5147 N.1 1 UNL1 -0.5582 5 N 3.1420 -1.0079 1.0953 N.ar 1 UNL1 -0.3292 6 N -3.5972 0.4862 -0.3791 N.1 1 UNL1 -0.5636 7 N 0.4857 0.4000 -1.0868 N.ar 1 UNL1 -0.4567 8 N 4.5576 0.4037 -0.1814 N.ar 1 UNL1 -0.4136 9 N -1.8030 1.4259 0.8649 N.pl3 1 UNL1 0.6013 10 N 2.7040 1.3005 -1.6159 N.ar 1 UNL1 -0.3382 11 C -1.7326 -0.9593 0.1109 C.2 1 UNL1 0.0797 12 C 2.3466 -0.3829 0.2168 C.ar 1 UNL1 -0.0894 13 C 0.9604 -0.3935 -0.0602 C.ar 1 UNL1 0.0793 14 C -2.3757 0.2393 0.1761 C.2 1 UNL1 0.1741 15 C -4.6425 0.7859 -0.8704 C.1 1 UNL1 0.4425 16 C 3.2288 0.5600 -0.6571 C.ar 1 UNL1 0.3253 17 C -2.7377 -2.9752 -1.0975 C.1 1 UNL1 0.4163 18 C 4.4123 -0.4715 0.7748 C.ar 1 UNL1 0.4361 19 C 1.3760 1.1152 -1.7056 C.ar 1 UNL1 0.4152 @BOND 1 19 10 ar 2 19 7 ar 3 10 16 ar 4 17 4 3 5 7 13 ar 6 15 6 3 7 16 8 ar 8 16 12 ar 9 4 11 1 10 6 14 1 11 8 18 ar 12 13 12 ar 13 13 1 1 14 11 14 2 15 11 1 1 16 14 9 1 17 12 5 ar 18 18 5 ar 19 3 9 2 20 9 2 2