@MOLECULE (2r)-1-(1-aziridinyl)-3-(2-nitro-1h-imidazol-1-yl)-2-propanol 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.2197 0.4007 -0.1541 C.3 1 UNL1 0.1431 2 C 1.5841 2.1657 -0.1972 C.ar 1 UNL1 -0.1030 3 C 2.8104 2.0553 0.4944 C.ar 1 UNL1 -0.0692 4 C -0.0523 0.5241 -1.1715 C.3 1 UNL1 -0.1834 5 C -2.4840 -0.1257 -0.8697 C.3 1 UNL1 -0.1843 6 H -0.2852 -1.1825 0.5930 H 1 UNL1 0.3470 7 C 2.1574 0.0251 0.0277 C.ar 1 UNL1 0.0522 8 O 3.1561 -2.0294 0.1206 O.2 1 UNL1 -0.2667 9 C -4.8037 -0.4301 0.0627 C.3 1 UNL1 -0.2190 10 C -3.9341 0.1025 1.1729 C.3 1 UNL1 -0.2070 11 O -0.8927 -0.4716 0.8892 O.3 1 UNL1 -0.5691 12 O 1.0430 -1.9364 -0.2841 O.2 1 UNL1 -0.4902 13 N 3.1503 0.7367 0.6204 N.ar 1 UNL1 -0.2693 14 N -3.6683 0.4717 -0.2359 N.3 1 UNL1 -0.3537 15 N 2.1336 -1.4089 -0.0410 N.pl3 1 UNL1 0.6560 16 N 1.1810 0.8820 -0.4923 N.ar 1 UNL1 -0.1531 17 H 0.0817 -0.4410 -1.7224 H 1 UNL1 0.1897 18 H -0.2982 1.2960 -1.9387 H 1 UNL1 0.1726 19 H 1.0258 3.0392 -0.4724 H 1 UNL1 0.1899 20 H -1.4139 1.3681 0.3685 H 1 UNL1 0.1664 21 H 3.4343 2.8381 0.8893 H 1 UNL1 0.1943 22 H -2.5149 0.1929 -1.9360 H 1 UNL1 0.1547 23 H -2.4732 -1.2378 -0.8634 H 1 UNL1 0.1492 24 H -4.7740 -1.4846 -0.2044 H 1 UNL1 0.1496 25 H -5.7914 -0.0018 -0.1218 H 1 UNL1 0.1657 26 H -4.2818 0.9192 1.8084 H 1 UNL1 0.1647 27 H -3.2493 -0.5562 1.7128 H 1 UNL1 0.1728 @BOND 1 18 4 1 2 22 5 1 3 17 4 1 4 4 16 1 5 4 1 1 6 5 23 1 7 5 14 1 8 5 1 1 9 16 2 ar 10 16 7 ar 11 19 2 1 12 12 15 2 13 14 9 1 14 14 10 1 15 24 9 1 16 2 3 ar 17 1 20 1 18 1 11 1 19 25 9 1 20 15 7 1 21 15 8 2 22 7 13 ar 23 9 10 1 24 3 13 ar 25 3 21 1 26 6 11 1 27 10 27 1 28 10 26 1