@MOLECULE 5-[(4-iodophenyl)sulfonyl]-1-methyl-4-nitro-1h-imidazole 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -4.1055 0.1192 -0.2942 I 1 UNL1 -0.0019 2 S 2.2826 -1.1738 0.9277 S.O2 1 UNL1 2.2601 3 O 2.6341 -0.7493 2.2568 O.2 1 UNL1 -0.8553 4 O 2.5884 -2.5136 0.4622 O.2 1 UNL1 -0.9347 5 O 1.3032 1.9636 0.6568 O.2 1 UNL1 -0.4517 6 O 2.9268 3.3702 0.4905 O.2 1 UNL1 -0.3129 7 N 4.0934 -0.6156 -1.1280 N.ar 1 UNL1 -0.1482 8 N 4.0892 1.6186 -1.3652 N.ar 1 UNL1 -0.3111 9 N 2.4336 2.2808 0.3049 N.pl3 1 UNL1 0.6598 10 C 3.1772 -0.1359 -0.2106 C.ar 1 UNL1 -0.3096 11 C 0.5911 -0.8542 0.6241 C.ar 1 UNL1 -0.4009 12 C 3.1972 1.2625 -0.3736 C.ar 1 UNL1 0.0098 13 C 4.6270 0.4722 -1.8183 C.ar 1 UNL1 0.0624 14 C 4.4649 -2.0001 -1.3563 C.3 1 UNL1 -0.2594 15 C -0.0458 -1.4607 -0.4587 C.ar 1 UNL1 -0.0536 16 C -0.1174 -0.0002 1.4677 C.ar 1 UNL1 -0.0005 17 C -1.3870 -1.1909 -0.7223 C.ar 1 UNL1 -0.1935 18 C -1.4621 0.2775 1.2117 C.ar 1 UNL1 -0.1833 19 C -2.0773 -0.3156 0.1146 C.ar 1 UNL1 -0.0102 20 H 5.3646 0.3937 -2.6000 H 1 UNL1 0.1978 21 H 3.5872 -2.6094 -1.6662 H 1 UNL1 0.1939 22 H 5.2413 -2.0800 -2.1345 H 1 UNL1 0.1530 23 H 4.8486 -2.4750 -0.4258 H 1 UNL1 0.1953 24 H 0.4884 -2.1616 -1.1086 H 1 UNL1 0.1654 25 H 0.3663 0.4731 2.3359 H 1 UNL1 0.1911 26 H -1.8674 -1.6675 -1.5757 H 1 UNL1 0.1658 27 H -1.9948 0.9622 1.8726 H 1 UNL1 0.1724 @BOND 1 20 13 1 2 22 14 1 3 13 8 ar 4 13 7 ar 5 21 14 1 6 26 17 1 7 8 12 ar 8 14 7 1 9 14 23 1 10 7 10 ar 11 24 15 1 12 17 15 ar 13 17 19 ar 14 15 11 ar 15 12 10 ar 16 12 9 1 17 1 19 1 18 10 2 1 19 19 18 ar 20 9 6 2 21 9 5 2 22 4 2 2 23 11 2 1 24 11 16 ar 25 2 3 2 26 18 16 ar 27 18 27 1 28 16 25 1