@MOLECULE 1-(2-nitro-1h-imidazol-1-yl)-3-(1-pyrrolidinyl)-2-propanol 33 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5331 1.5508 0.2351 O.3 1 UNL1 -0.5784 2 O 3.7933 -2.1002 0.6994 O.2 1 UNL1 -0.3084 3 O 1.8288 -2.0986 -0.1861 O.2 1 UNL1 -0.4591 4 N -2.8428 -0.3265 0.0639 N.3 1 UNL1 -0.4215 5 N 1.9082 0.6682 -0.5715 N.ar 1 UNL1 -0.1523 6 N 3.8151 0.7008 0.6512 N.ar 1 UNL1 -0.2721 7 N 2.8386 -1.5293 0.2197 N.pl3 1 UNL1 0.6543 8 C -3.9050 -1.2620 -0.3948 C.3 1 UNL1 -0.1067 9 C -3.5039 0.9371 0.4825 C.3 1 UNL1 -0.1050 10 C -5.2271 -0.8051 0.2529 C.3 1 UNL1 -0.2802 11 C -4.9463 0.5704 0.8820 C.3 1 UNL1 -0.2784 12 C -1.8012 -0.1215 -0.9622 C.3 1 UNL1 -0.1745 13 C -0.4841 0.2172 -0.2305 C.3 1 UNL1 0.1431 14 C 0.6951 0.2214 -1.2363 C.3 1 UNL1 -0.1384 15 C 2.8615 -0.0989 0.1086 C.ar 1 UNL1 0.0407 16 C 2.2752 1.9856 -0.4176 C.ar 1 UNL1 -0.0749 17 C 3.4686 1.9863 0.3376 C.ar 1 UNL1 -0.0913 18 H -1.0317 1.5985 1.0781 H 1 UNL1 0.3355 19 H -3.6101 -2.2764 -0.0513 H 1 UNL1 0.1479 20 H -4.0062 -1.3004 -1.4967 H 1 UNL1 0.1143 21 H -3.4956 1.7161 -0.3056 H 1 UNL1 0.1214 22 H -2.9391 1.3399 1.3487 H 1 UNL1 0.1311 23 H -5.5594 -1.5261 1.0186 H 1 UNL1 0.1451 24 H -6.0368 -0.7495 -0.4914 H 1 UNL1 0.1359 25 H -5.6641 1.3302 0.5373 H 1 UNL1 0.1372 26 H -5.0449 0.5222 1.9802 H 1 UNL1 0.1458 27 H -2.0477 0.6817 -1.6885 H 1 UNL1 0.1351 28 H -1.6631 -1.0604 -1.5432 H 1 UNL1 0.1513 29 H -0.2993 -0.4764 0.6210 H 1 UNL1 0.1580 30 H 0.8347 -0.8018 -1.6655 H 1 UNL1 0.1911 31 H 0.4686 0.9119 -2.0836 H 1 UNL1 0.1681 32 H 1.6984 2.8041 -0.8066 H 1 UNL1 0.1940 33 H 4.0631 2.8235 0.6551 H 1 UNL1 0.1915 @BOND 1 31 14 1 2 27 12 1 3 30 14 1 4 28 12 1 5 20 8 1 6 14 5 1 7 14 13 1 8 12 13 1 9 12 4 1 10 32 16 1 11 5 16 ar 12 5 15 ar 13 24 10 1 14 16 17 ar 15 8 19 1 16 8 4 1 17 8 10 1 18 21 9 1 19 13 1 1 20 13 29 1 21 3 7 2 22 4 9 1 23 15 7 1 24 15 6 ar 25 7 2 2 26 1 18 1 27 10 11 1 28 10 23 1 29 17 6 ar 30 17 33 1 31 9 11 1 32 9 22 1 33 25 11 1 34 11 26 1