@MOLECULE 3-o-sulfo-d-galactose 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.0567 -1.3229 0.1014 S.O2 1 UNL111111111 2.5572 2 O -0.6351 -0.5714 -0.3141 O.3 1 UNL111111111 -0.7472 3 O 2.0814 1.6052 0.5388 O.3 1 UNL111111111 -0.5767 4 O 2.4947 -0.9225 1.2764 O.3 1 UNL111111111 -0.5516 5 O -0.2789 2.6843 1.1928 O.3 1 UNL111111111 -0.5497 6 O 4.2189 -1.7037 -0.8053 O.3 1 UNL111111111 -0.5404 7 O -2.0377 -2.4874 -1.0406 O.3 1 UNL111111111 -0.7802 8 O -1.0419 3.2734 -1.2751 O.2 1 UNL111111111 -0.4368 9 O -1.9615 -1.8845 1.4044 O.2 1 UNL111111111 -0.8165 10 O -3.0749 -0.3764 -0.2638 O.2 1 UNL111111111 -0.9245 11 C 1.3363 0.6375 -0.1655 C.3 1 UNL111111111 0.0757 12 C -0.0491 0.4212 0.4996 C.3 1 UNL111111111 0.1283 13 C 2.1826 -0.6491 -0.0706 C.3 1 UNL111111111 0.0773 14 C -0.9522 1.6799 0.4610 C.3 1 UNL111111111 -0.0405 15 C 3.4937 -0.4950 -0.8572 C.3 1 UNL111111111 -0.0538 16 C -1.2575 2.1289 -0.9630 C.2 1 UNL111111111 0.3172 17 H 1.2281 0.9847 -1.2158 H 1 UNL111111111 0.1385 18 H 0.0793 0.0437 1.5446 H 1 UNL111111111 0.1736 19 H 1.6126 -1.5527 -0.3888 H 1 UNL111111111 0.1719 20 H -1.9178 1.5134 1.0090 H 1 UNL111111111 0.1806 21 H 4.1226 0.3190 -0.4498 H 1 UNL111111111 0.1396 22 H 3.3283 -0.3324 -1.9370 H 1 UNL111111111 0.1427 23 H 1.4713 2.2696 0.9466 H 1 UNL111111111 0.3556 24 H -1.6879 1.3974 -1.6548 H 1 UNL111111111 0.1486 25 H 2.8295 -0.1034 1.7138 H 1 UNL111111111 0.3346 26 H -0.3445 3.5546 0.7133 H 1 UNL111111111 0.3551 27 H 4.2243 -2.0449 0.1177 H 1 UNL111111111 0.3277 28 H -2.4450 -2.2574 -1.8948 H 1 UNL111111111 0.3938 @BOND 1 1 2 1 2 1 7 1 3 1 9 2 4 1 10 2 5 2 12 1 6 3 11 1 7 3 23 1 8 4 13 1 9 4 25 1 10 5 14 1 11 5 26 1 12 6 15 1 13 6 27 1 14 7 28 1 15 8 16 2 16 11 12 1 17 11 13 1 18 11 17 1 19 12 14 1 20 12 18 1 21 13 15 1 22 13 19 1 23 14 16 1 24 14 20 1 25 15 21 1 26 15 22 1 27 16 24 1