@MOLECULE 1-(2,3-dimethyl-1-aziridinyl)-3-(2-nitro-1h-imidazol-1-yl)-2-propanol 17 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8064 0.1362 2.6884 O.2 1 UNL1 -0.3980 2 O 2.6828 -1.7735 -1.4168 O.2 1 UNL1 -0.3006 3 O 3.7899 -1.4860 0.4353 O.2 1 UNL1 -0.2940 4 N -2.9048 -0.1394 0.0150 N.pl3 1 UNL1 0.3972 5 N 1.2292 0.5697 0.2779 N.ar 1 UNL1 -0.4974 6 N 3.1248 1.3286 -0.8142 N.ar 1 UNL1 -0.5433 7 N 3.0538 -1.1362 -0.4577 N.pl3 1 UNL1 0.5926 8 C -3.9710 -0.8622 -0.5596 C.2 1 UNL1 -0.5472 9 C -3.8130 0.5779 -0.7974 C.2 1 UNL1 -0.5562 10 C -1.9088 -0.1329 0.6733 C.3 1 UNL1 -0.3595 11 C -4.6065 -1.9940 -0.7129 C.2 1 UNL1 0.5087 12 C -4.1964 1.7113 -1.3209 C.2 1 UNL1 0.5038 13 C -0.7801 -0.0858 1.4931 C.2 1 UNL1 0.3600 14 C 0.5083 -0.4492 0.8234 C.3 1 UNL1 0.2735 15 C 2.5478 0.2542 -0.3724 C.ar 1 UNL1 0.3822 16 C 1.0353 1.9211 0.1858 C.ar 1 UNL1 0.1488 17 C 2.3854 2.4940 -0.5444 C.ar 1 UNL1 0.3291 @BOND 1 2 7 2 2 12 9 2 3 6 17 ar 4 6 15 ar 5 9 8 1 6 9 4 1 7 11 8 2 8 8 4 1 9 17 16 ar 10 7 15 1 11 7 3 2 12 15 5 ar 13 4 10 1 14 16 5 ar 15 5 14 1 16 10 13 1 17 14 13 1 18 13 1 2