@MOLECULE 1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3,2-b]pyridine-6-carboxamide 24 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.0931 0.2700 2.7340 C.2 1 UNL1 0.4792 2 C -5.2742 -0.6591 -1.1487 C.1 1 UNL1 0.2018 3 N -3.9572 -0.4914 -1.4220 N.2 1 UNL1 -0.2793 4 C 1.2036 3.4789 -0.5667 C.1 2 UNL2 0.6543 5 C -3.2004 -2.2628 0.0766 C.1 1 UNL1 0.0205 6 C -3.0126 -1.1951 -0.8835 C.2 1 UNL1 0.3558 7 C -1.6669 -0.9497 -1.2074 C.1 1 UNL1 -0.1693 8 C -0.4872 -0.7530 -1.4387 C.1 1 UNL1 0.1669 9 N -3.3588 -3.1208 0.8330 N.1 1 UNL1 -0.1361 10 S 4.1038 0.0758 -0.0617 S.3 1 UNL1 0.3641 11 C 3.4304 -0.3679 -1.6487 C.2 1 UNL1 -0.6507 12 O 0.7175 3.7764 0.4527 O.2 2 UNL2 -0.3208 13 O 1.6905 3.1769 -1.5849 O.2 2 UNL2 -0.3335 14 C 0.8418 -0.5813 -1.6143 C.1 1 UNL1 -0.1448 15 C 2.0535 -0.4642 -1.6877 C.1 1 UNL1 0.1158 16 C 4.3249 -0.5406 -2.6180 C.2 1 UNL1 0.5682 17 C 2.3956 -2.3745 0.8244 C.3 1 UNL1 0.5070 18 C 3.3871 -1.0559 0.9535 C.3 1 UNL1 -0.3721 19 N 3.3551 -1.2386 2.2479 N.4 1 UNL1 -0.0783 20 O -0.5787 0.0126 1.7468 O.2 1 UNL1 -0.4797 21 O 2.4336 -2.4015 2.1671 O.3 1 UNL1 -0.2636 22 C -3.0418 2.6829 1.9245 C.2 3 UNL3 0.4208 23 O -3.2884 3.7107 1.5026 O.2 3 UNL3 -0.4203 24 N -6.4262 -0.6828 -1.0082 N.1 1 UNL1 -0.2059 @BOND 1 16 11 2 2 15 11 1 3 15 14 3 4 11 10 1 5 14 8 1 6 13 4 2 7 8 7 3 8 3 2 1 9 3 6 2 10 7 6 1 11 2 24 3 12 6 5 1 13 4 12 2 14 10 18 1 15 5 9 3 16 17 18 1 17 17 21 1 18 18 19 1 19 23 22 2 20 20 1 2 21 21 19 1