@MOLECULE (2r)-1-methoxy-3-(2-nitro-1h-imidazol-1-yl)-2-propanol 25 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.3702 -0.3884 0.0417 C.3 1 UNL1 0.1276 2 C -1.5392 -2.0198 -0.2668 C.ar 1 UNL1 -0.0793 3 C -2.8083 -1.8333 0.3245 C.ar 1 UNL1 -0.0849 4 C 0.2879 -0.4898 -1.0572 C.3 1 UNL1 -0.1338 5 C 2.6987 0.0961 -0.5658 C.3 1 UNL1 -0.1124 6 C 4.8118 0.7599 0.2453 C.3 1 UNL1 -0.1948 7 H 2.3151 -1.7684 1.0938 H 1 UNL1 0.3442 8 C -1.9551 0.1529 0.0126 C.ar 1 UNL1 0.0436 9 O -2.6840 2.2805 0.4262 O.2 1 UNL1 -0.3017 10 O 1.5238 -1.7121 0.5120 O.3 1 UNL1 -0.5703 11 O 3.5348 0.2450 0.5726 O.3 1 UNL1 -0.3813 12 O -0.7125 2.0059 -0.3988 O.2 1 UNL1 -0.4670 13 N -3.0468 -0.4969 0.4903 N.ar 1 UNL1 -0.2696 14 N -1.7867 1.5779 0.0174 N.pl3 1 UNL1 0.6557 15 N -1.0154 -0.7641 -0.4735 N.ar 1 UNL1 -0.1584 16 H -1.0141 -2.9235 -0.5128 H 1 UNL1 0.1940 17 H 0.2506 0.4617 -1.6473 H 1 UNL1 0.1910 18 H 0.5537 -1.3138 -1.7655 H 1 UNL1 0.1742 19 H -3.5243 -2.5743 0.6252 H 1 UNL1 0.1924 20 H 1.0516 0.2559 0.8926 H 1 UNL1 0.1593 21 H 3.1326 -0.6545 -1.2473 H 1 UNL1 0.1337 22 H 2.5868 1.0626 -1.0883 H 1 UNL1 0.1390 23 H 5.2810 0.8931 1.2285 H 1 UNL1 0.1499 24 H 5.3785 0.0407 -0.3567 H 1 UNL1 0.1220 25 H 4.7317 1.7240 -0.2662 H 1 UNL1 0.1269 @BOND 1 18 4 1 2 17 4 1 3 21 5 1 4 22 5 1 5 4 15 1 6 4 1 1 7 5 1 1 8 5 11 1 9 16 2 1 10 15 2 ar 11 15 8 ar 12 12 14 2 13 24 6 1 14 2 3 ar 15 25 6 1 16 8 14 1 17 8 13 ar 18 14 9 2 19 1 10 1 20 1 20 1 21 6 11 1 22 6 23 1 23 3 13 ar 24 3 19 1 25 10 7 1