@MOLECULE satranidazole 19 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.6877 -0.6995 -0.0614 S.3 1 UNL1 2.2688 2 O 0.4454 2.6580 0.8162 O.2 1 UNL1 -0.3218 3 O -4.7941 -1.9942 -0.6403 O.3 1 UNL1 -0.7633 4 O -5.8522 -0.0362 0.4110 O.2 1 UNL1 -0.7539 5 O 5.6732 -1.2972 -0.0534 O.3 1 UNL1 -0.0842 6 O 3.8639 -1.2416 1.4617 O.3 1 UNL1 -0.4041 7 N -1.7104 1.6642 0.6477 N.am 1 UNL1 -0.4821 8 N 0.1479 0.5244 -0.2421 N.am 1 UNL1 -0.5941 9 N 2.4293 -0.3009 0.1273 N.ar 1 UNL1 -0.4384 10 N 2.0427 0.9311 -1.7546 N.ar 1 UNL1 -0.3942 11 N 4.7283 -0.6322 0.1891 N.4 1 UNL1 0.3035 12 C -2.1387 0.5276 0.1419 C.2 1 UNL1 0.2097 13 C -0.8470 -0.3293 -0.5147 C.3 1 UNL1 0.3931 14 C -0.3299 1.8257 0.5023 C.2 1 UNL1 0.6554 15 C 1.4746 0.3859 -0.6232 C.ar 1 UNL1 0.4815 16 C -3.3384 -0.0418 0.0504 C.3 1 UNL1 -0.7038 17 C 3.6882 -0.1520 -0.5777 C.ar 1 UNL1 -0.1332 18 C 2.6371 -0.9645 1.4102 C.3 1 UNL1 0.4734 19 C 3.3439 0.6112 -1.6793 C.ar 1 UNL1 0.2876 @BOND 1 10 19 ar 2 10 15 ar 3 19 17 ar 4 3 1 1 5 15 8 1 6 15 9 ar 7 17 9 ar 8 17 11 1 9 13 8 1 10 13 12 1 11 8 14 am 12 1 16 1 13 1 4 2 14 5 11 1 15 16 12 1 16 9 18 1 17 12 7 2 18 11 6 1 19 14 7 1 20 14 2 2 21 18 6 1