@MOLECULE 1-methoxy-3-(2-methyl-4-nitro-1h-imidazol-1-yl)-2-propanol 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.0515 0.1472 0.0162 C.3 1 UNL1 0.1191 2 C 1.1755 -0.6627 0.6452 C.ar 1 UNL1 -0.0491 3 C -3.2359 -0.7072 0.4992 C.3 1 UNL1 -0.1164 4 C -1.0419 0.4072 1.1591 C.3 1 UNL1 -0.1230 5 C -5.2090 -1.5872 -0.4647 C.3 1 UNL1 -0.1941 6 C 0.3775 2.8379 -0.1484 C.3 1 UNL1 -0.4467 7 H -3.2930 1.3625 -0.9323 H 1 UNL1 0.3452 8 C 0.9807 1.5086 0.0307 C.ar 1 UNL1 0.2645 9 C 2.3458 -0.2057 0.0251 C.ar 1 UNL1 -0.0409 10 O 3.5426 -2.1069 0.2204 O.2 1 UNL1 -0.4459 11 O -2.5124 1.4362 -0.3373 O.3 1 UNL1 -0.5727 12 O -3.9978 -0.8894 -0.6867 O.3 1 UNL1 -0.3848 13 O 4.4769 -0.4542 -0.7979 O.2 1 UNL1 -0.3372 14 N 2.2088 1.1284 -0.3453 N.ar 1 UNL1 -0.3372 15 N 3.5430 -0.9565 -0.2088 N.pl3 1 UNL1 0.6591 16 N 0.3195 0.4246 0.6554 N.ar 1 UNL1 -0.2765 17 H -5.0188 -2.5929 -0.0768 H 1 UNL1 0.1264 18 H -5.8708 -1.0271 0.2029 H 1 UNL1 0.1238 19 H -5.6436 -1.6452 -1.4722 H 1 UNL1 0.1521 20 H -2.9144 -1.6879 0.8885 H 1 UNL1 0.1331 21 H -3.8377 -0.1789 1.2590 H 1 UNL1 0.1365 22 H -1.5722 -0.3053 -0.8838 H 1 UNL1 0.1572 23 H -1.2789 1.3994 1.6270 H 1 UNL1 0.1877 24 H -1.1368 -0.3546 1.9652 H 1 UNL1 0.1620 25 H 0.2761 3.3816 0.8040 H 1 UNL1 0.1702 26 H 1.0000 3.4676 -0.8123 H 1 UNL1 0.1937 27 H -0.6289 2.7801 -0.6059 H 1 UNL1 0.1943 28 H 0.9418 -1.6297 1.0501 H 1 UNL1 0.1997 @BOND 1 19 5 1 2 7 11 1 3 22 1 1 4 26 6 1 5 13 15 2 6 12 5 1 7 12 3 1 8 27 6 1 9 5 17 1 10 5 18 1 11 14 9 ar 12 14 8 ar 13 11 1 1 14 15 9 1 15 15 10 2 16 6 8 1 17 6 25 1 18 1 3 1 19 1 4 1 20 9 2 ar 21 8 16 ar 22 3 20 1 23 3 21 1 24 2 16 ar 25 2 28 1 26 16 4 1 27 4 23 1 28 4 24 1