@MOLECULE (2r)-1-(4-bromo-2-nitro-1h-imidazol-1-yl)-3-methoxy-2-propanol 25 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -3.5038 0.9245 -0.2335 Br 1 UNL1 0.0594 2 O 2.1764 2.1047 0.4852 O.3 1 UNL1 -0.5741 3 O 4.5038 1.2232 -0.7669 O.3 1 UNL1 -0.3895 4 O -0.2983 -3.5742 -0.4661 O.2 1 UNL1 -0.2911 5 O 1.5386 -2.6699 0.2051 O.2 1 UNL1 -0.4588 6 N 0.2508 -0.2267 0.7066 N.ar 1 UNL1 -0.1648 7 N -1.6097 -1.1244 -0.2282 N.ar 1 UNL1 -0.2640 8 N 0.3405 -2.6311 -0.0592 N.pl3 1 UNL1 0.6559 9 C 1.6103 -0.0397 1.1900 C.3 1 UNL1 -0.1387 10 C 2.4339 0.7552 0.1525 C.3 1 UNL1 0.1269 11 C 3.9343 0.4496 0.2813 C.3 1 UNL1 -0.1104 12 C -0.3238 -1.3690 0.1328 C.ar 1 UNL1 0.0529 13 C -0.7064 0.7645 0.6785 C.ar 1 UNL1 -0.0708 14 C -1.8498 0.1775 0.1001 C.ar 1 UNL1 -0.0171 15 C 5.8919 0.9998 -0.9261 C.3 1 UNL1 -0.1919 16 H 1.5833 0.5353 2.1527 H 1 UNL1 0.1868 17 H 2.0860 -1.0250 1.4188 H 1 UNL1 0.1978 18 H 2.0839 0.5868 -0.8933 H 1 UNL1 0.1549 19 H 4.3455 0.7837 1.2494 H 1 UNL1 0.1357 20 H 4.1502 -0.6232 0.1299 H 1 UNL1 0.1430 21 H -0.5289 1.7674 1.0302 H 1 UNL1 0.2107 22 H 2.8122 2.6942 0.0206 H 1 UNL1 0.3462 23 H 6.1575 1.6861 -1.7416 H 1 UNL1 0.1494 24 H 6.0878 -0.0353 -1.2251 H 1 UNL1 0.1287 25 H 6.4424 1.2573 -0.0166 H 1 UNL1 0.1227 @BOND 1 23 15 1 2 24 15 1 3 15 3 1 4 15 25 1 5 18 10 1 6 3 11 1 7 4 8 2 8 1 14 1 9 7 14 ar 10 7 12 ar 11 8 12 1 12 8 5 2 13 22 2 1 14 14 13 ar 15 20 11 1 16 12 6 ar 17 10 11 1 18 10 2 1 19 10 9 1 20 11 19 1 21 13 6 ar 22 13 21 1 23 6 9 1 24 9 17 1 25 9 16 1