@MOLECULE (1R,2S,3R)-1-[(2Z)-2-isoxazol-3-ylideneimidazol-4-yl]butane-1,2,3,4-tetrol 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6827 0.8682 -0.5764 O.3 1 UNL1111 -0.5732 2 O -3.1427 -2.1087 -0.2884 O.3 1 UNL1111 -0.5617 3 O -2.2878 2.0846 1.5362 O.3 1 UNL1111 -0.5607 4 O 0.1181 2.5419 -0.1759 O.3 1 UNL1111 -0.5965 5 O 3.8760 1.2863 -0.4151 O.2 1 UNL1111 -0.0395 6 N 0.1716 -0.6823 -0.6938 N.2 1 UNL1111 -0.3769 7 N 0.9980 -2.3511 0.6942 N.2 1 UNL1111 -0.3224 8 N 2.6320 0.7020 -0.7716 N.ar 1 UNL1111 -0.2801 9 C -2.7673 0.1352 0.2163 C.3 1 UNL1111 0.0821 10 C -2.2441 -1.0646 -0.6191 C.3 1 UNL1111 0.1094 11 C -1.7058 1.1785 0.6242 C.3 1 UNL1111 0.0853 12 C -0.8458 -1.4281 -0.2768 C.2 1 UNL1111 -0.0193 13 C -1.1263 1.9731 -0.5559 C.3 1 UNL1111 -0.0175 14 C -0.3184 -2.4955 0.5885 C.2 1 UNL1111 -0.0472 15 C 1.3181 -1.2023 -0.0595 C.2 1 UNL1111 -0.0227 16 C 2.5027 -0.4981 -0.0672 C.ar 1 UNL1111 0.3101 17 C 3.7800 -0.7527 0.5733 C.ar 1 UNL1111 -0.2963 18 C 4.5521 0.3364 0.3151 C.ar 1 UNL1111 0.0578 19 H -3.3007 -0.2419 1.1238 H 1 UNL1111 0.1592 20 H -2.3522 -0.8494 -1.7136 H 1 UNL1111 0.1595 21 H -0.8965 0.7107 1.2346 H 1 UNL1111 0.1652 22 H -0.8651 1.3353 -1.4219 H 1 UNL1111 0.1707 23 H -1.8022 2.7839 -0.8792 H 1 UNL1111 0.1338 24 H -0.8833 -3.2652 1.0792 H 1 UNL1111 0.1811 25 H -4.4484 0.3059 -0.8191 H 1 UNL1111 0.3341 26 H -2.8524 -2.9564 -0.6813 H 1 UNL1111 0.3272 27 H -3.1169 2.4589 1.1659 H 1 UNL1111 0.3306 28 H 0.0060 3.0506 0.6539 H 1 UNL1111 0.3326 29 H 3.9978 -1.6456 1.1329 H 1 UNL1111 0.2155 30 H 1.9007 1.4225 -0.7799 H 1 UNL1111 0.3688 31 H 5.5624 0.6204 0.5413 H 1 UNL1111 0.1910 @BOND 1 1 9 1 2 1 25 1 3 2 10 1 4 2 26 1 5 3 11 1 6 3 27 1 7 4 13 1 8 4 28 1 9 5 8 ar 10 5 18 ar 11 6 12 2 12 6 15 1 13 7 14 2 14 7 15 1 15 8 16 ar 16 8 30 1 17 9 10 1 18 9 11 1 19 9 19 1 20 10 12 1 21 10 20 1 22 11 13 1 23 11 21 1 24 12 14 1 25 13 22 1 26 13 23 1 27 14 24 1 28 15 16 2 29 16 17 ar 30 17 18 ar 31 17 29 1 32 18 31 1