@MOLECULE 3,4-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranose 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8166 1.0075 -0.2309 O.3 1 UNL1111111111 -0.4054 2 O 1.1664 -1.2526 -0.1903 O.3 1 UNL1111111111 -0.4094 3 O -2.1065 0.3940 -0.3787 O.3 1 UNL1111111111 -0.4696 4 O -1.3798 -2.9085 0.9147 O.3 1 UNL1111111111 -0.5128 5 O -3.1830 -1.4287 -1.0756 O.3 1 UNL1111111111 -0.5190 6 O -2.5695 3.1683 0.1832 O.3 1 UNL1111111111 -0.5407 7 O 4.1058 0.0159 -0.4351 O.3 1 UNL1111111111 -0.5437 8 O 3.0087 0.4281 1.4670 O.2 1 UNL1111111111 -0.4922 9 C -0.0095 0.5193 0.8297 C.3 1 UNL1111111111 0.0079 10 C 0.0841 -1.0185 0.7193 C.3 1 UNL1111111111 0.0306 11 C -1.4015 1.1116 0.6123 C.3 1 UNL1111111111 0.0521 12 C -1.1164 -1.7745 0.1277 C.3 1 UNL1111111111 0.0203 13 C 1.7218 -0.0146 -0.5837 C.3 1 UNL1111111111 0.4158 14 C -2.4123 -0.9432 -0.0242 C.3 1 UNL1111111111 0.3094 15 C -1.3221 2.5340 0.0254 C.3 1 UNL1111111111 -0.0034 16 C 1.9603 0.0100 -2.0704 C.3 1 UNL1111111111 -0.4701 17 C 2.9808 0.1778 0.2937 C.2 1 UNL1111111111 0.5664 18 H 0.4495 0.8905 1.7771 H 1 UNL1111111111 0.1657 19 H 0.4069 -1.4895 1.6777 H 1 UNL1111111111 0.1658 20 H -1.9928 1.1071 1.5575 H 1 UNL1111111111 0.1435 21 H -0.8278 -2.2348 -0.8542 H 1 UNL1111111111 0.1908 22 H -3.0869 -0.9816 0.8570 H 1 UNL1111111111 0.1372 23 H -1.0406 2.5142 -1.0444 H 1 UNL1111111111 0.1457 24 H -0.6195 3.1769 0.5868 H 1 UNL1111111111 0.1565 25 H 1.0163 -0.0985 -2.6243 H 1 UNL1111111111 0.1754 26 H 2.6279 -0.8112 -2.3769 H 1 UNL1111111111 0.1846 27 H 2.4290 0.9531 -2.3873 H 1 UNL1111111111 0.1775 28 H -1.7637 -2.6737 1.7840 H 1 UNL1111111111 0.3061 29 H -2.8175 -1.1529 -1.9476 H 1 UNL1111111111 0.3338 30 H -3.2622 2.6655 -0.2988 H 1 UNL1111111111 0.3250 31 H 4.9402 0.1063 0.0919 H 1 UNL1111111111 0.3561 @BOND 1 1 9 1 2 1 13 1 3 2 10 1 4 2 13 1 5 3 11 1 6 3 14 1 7 4 12 1 8 4 28 1 9 5 14 1 10 5 29 1 11 6 15 1 12 6 30 1 13 7 17 1 14 7 31 1 15 8 17 2 16 9 10 1 17 9 11 1 18 9 18 1 19 10 12 1 20 10 19 1 21 11 15 1 22 11 20 1 23 12 14 1 24 12 21 1 25 13 16 1 26 13 17 1 27 14 22 1 28 15 23 1 29 15 24 1 30 16 25 1 31 16 26 1 32 16 27 1