@MOLECULE (2s,3r)-3-[(2-nitro-1h-imidazol-1-yl)methoxy]-1,2,4-butanetriol 30 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.6650 -0.3240 0.6468 C.3 1 UNL1 0.0352 2 C 3.0035 -0.0666 -0.0849 C.3 1 UNL1 0.0924 3 C -1.0188 1.3525 -0.8695 C.ar 1 UNL1 -0.0400 4 C -2.2108 2.1081 -0.9575 C.ar 1 UNL1 -0.0982 5 C -0.4887 -1.0377 -0.1619 C.3 1 UNL1 0.1559 6 C 1.2139 0.9175 1.4281 C.3 1 UNL1 -0.0343 7 C 3.7397 -1.3757 -0.4022 C.3 1 UNL1 -0.0640 8 H 4.7340 0.5962 0.6125 H 1 UNL1 0.3517 9 H 2.3763 2.2792 0.6105 H 1 UNL1 0.3375 10 H 4.8826 -0.7655 -1.9085 H 1 UNL1 0.3189 11 C -2.7684 0.1400 -0.2033 C.ar 1 UNL1 0.0310 12 O -4.7123 -0.8927 0.4315 O.2 1 UNL1 -0.2961 13 O 3.7737 0.7241 0.8002 O.3 1 UNL1 -0.5780 14 O 1.4103 2.0944 0.6809 O.3 1 UNL1 -0.5446 15 O 4.9871 -1.0492 -0.9769 O.3 1 UNL1 -0.5417 16 O 0.8138 -0.6434 -0.4560 O.3 1 UNL1 -0.4168 17 O -2.8614 -1.9996 0.5084 O.2 1 UNL1 -0.4852 18 N -3.2728 1.3502 -0.5466 N.ar 1 UNL1 -0.2591 19 N -3.5160 -0.9820 0.2769 N.pl3 1 UNL1 0.6568 20 N -1.3760 0.1159 -0.3892 N.ar 1 UNL1 -0.2454 21 H -0.7122 -1.8305 -0.9211 H 1 UNL1 0.1762 22 H -0.6209 -1.4257 0.8736 H 1 UNL1 0.1622 23 H 0.0013 1.6320 -1.0885 H 1 UNL1 0.2148 24 H 1.7167 -1.2113 1.3148 H 1 UNL1 0.1373 25 H -2.3353 3.1253 -1.2832 H 1 UNL1 0.1953 26 H 2.8338 0.5419 -1.0052 H 1 UNL1 0.1487 27 H 0.1274 0.9182 1.6337 H 1 UNL1 0.1497 28 H 1.7672 0.9922 2.3857 H 1 UNL1 0.1423 29 H 4.0260 -1.9289 0.5142 H 1 UNL1 0.1578 30 H 3.1548 -2.0352 -1.0654 H 1 UNL1 0.1398 @BOND 1 10 15 1 2 25 4 1 3 23 3 1 4 30 7 1 5 26 2 1 6 15 7 1 7 4 3 ar 8 4 18 ar 9 21 5 1 10 3 20 ar 11 18 11 ar 12 16 5 1 13 16 1 1 14 7 2 1 15 7 29 1 16 20 11 ar 17 20 5 1 18 11 19 1 19 5 22 1 20 2 1 1 21 2 13 1 22 19 12 2 23 19 17 2 24 9 14 1 25 8 13 1 26 1 24 1 27 1 6 1 28 14 6 1 29 6 27 1 30 6 28 1