@MOLECULE (2r)-3-[(2-nitro-1h-imidazol-1-yl)methoxy]-1,2,4-butanetriol 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2255 0.6221 -1.0618 O.3 1 UNL111 -0.4201 2 O -1.8544 1.5780 1.3461 O.3 1 UNL111 -0.5312 3 O -4.3081 -0.9927 -0.8110 O.3 1 UNL111 -0.5283 4 O -0.6185 -1.7911 1.4129 O.3 1 UNL111 -0.5388 5 O 3.7338 -1.4883 0.0355 O.2 1 UNL111 -0.2636 6 O 1.7360 -1.9914 -0.5981 O.2 1 UNL111 -0.4798 7 N 1.0438 0.7250 -0.7692 N.ar 1 UNL111 -0.2443 8 N 2.9021 1.1596 0.4523 N.ar 1 UNL111 -0.2643 9 N 2.5997 -1.1873 -0.2476 N.pl3 1 UNL111 0.6477 10 C -2.0929 -0.2051 -0.2835 C.3 1 UNL111 0.0155 11 C -1.9764 0.1833 1.2021 C.3 1 UNL111 0.0646 12 C -3.4867 0.1499 -0.8472 C.3 1 UNL111 -0.0287 13 C -0.7991 -0.4945 1.9361 C.3 1 UNL111 -0.0606 14 C -0.0337 0.0620 -1.5215 C.3 1 UNL111 0.1373 15 C 2.1942 0.1909 -0.1763 C.ar 1 UNL111 0.0499 16 C 1.0502 2.0775 -0.4865 C.ar 1 UNL111 -0.0908 17 C 2.2074 2.3274 0.2776 C.ar 1 UNL111 -0.0741 18 H -1.8830 -1.2897 -0.4366 H 1 UNL111 0.1741 19 H -2.9352 -0.0369 1.7302 H 1 UNL111 0.1551 20 H -3.9613 0.9886 -0.3099 H 1 UNL111 0.1379 21 H -3.4325 0.3934 -1.9275 H 1 UNL111 0.1615 22 H 0.1220 0.1062 1.8781 H 1 UNL111 0.1249 23 H -1.0417 -0.6605 3.0043 H 1 UNL111 0.1552 24 H 0.0248 0.3789 -2.5936 H 1 UNL111 0.1673 25 H 0.0166 -1.0461 -1.4247 H 1 UNL111 0.1818 26 H -1.1153 1.9010 0.7859 H 1 UNL111 0.3183 27 H 0.2874 2.7509 -0.8351 H 1 UNL111 0.1968 28 H -4.5093 -1.2522 0.1116 H 1 UNL111 0.3135 29 H 2.5599 3.2582 0.6889 H 1 UNL111 0.1995 30 H 0.1709 -1.8203 0.8345 H 1 UNL111 0.3237 @BOND 1 1 10 1 2 1 14 1 3 2 11 1 4 2 26 1 5 3 12 1 6 3 28 1 7 4 13 1 8 4 30 1 9 5 9 2 10 6 9 2 11 7 14 1 12 7 15 ar 13 7 16 ar 14 8 15 ar 15 8 17 ar 16 9 15 1 17 10 11 1 18 10 12 1 19 10 18 1 20 11 13 1 21 11 19 1 22 12 20 1 23 12 21 1 24 13 22 1 25 13 23 1 26 14 24 1 27 14 25 1 28 16 17 ar 29 16 27 1 30 17 29 1