@MOLECULE 3-o-sulfo-d-glucuronic acid 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.9584 2.0729 0.0978 S.O2 1 UNL111111111 2.5435 2 O 0.0203 0.8224 -0.4018 O.3 1 UNL111111111 -0.7418 3 O 1.5351 -1.4000 -1.2702 O.3 1 UNL111111111 -0.5210 4 O 2.5962 -0.4147 1.7091 O.3 1 UNL111111111 -0.5469 5 O -1.1958 -1.1002 -1.6768 O.3 1 UNL111111111 -0.4897 6 O -1.1916 -2.3390 1.5621 O.3 1 UNL111111111 -0.5630 7 O -2.1799 1.7180 -0.9257 O.3 1 UNL111111111 -0.7904 8 O -2.9414 -2.1198 0.1817 O.2 1 UNL111111111 -0.4783 9 O 3.8792 -0.1957 -0.6046 O.2 1 UNL111111111 -0.4962 10 O -1.3469 1.7896 1.4496 O.2 1 UNL111111111 -0.8884 11 O -0.3306 3.3004 -0.2656 O.2 1 UNL111111111 -0.8306 12 C 0.6033 -0.0855 0.4906 C.3 1 UNL111111111 0.1618 13 C 0.6503 -1.4807 -0.1750 C.3 1 UNL111111111 0.1041 14 C 2.0433 0.4356 0.7327 C.3 1 UNL111111111 -0.0173 15 C -0.6900 -2.0106 -0.7303 C.3 1 UNL111111111 0.0451 16 C -1.7548 -2.1490 0.3489 C.2 1 UNL111111111 0.5767 17 C 2.8385 0.4190 -0.5694 C.2 1 UNL111111111 0.3648 18 H 0.0439 -0.1486 1.4601 H 1 UNL111111111 0.1734 19 H 1.0368 -2.2046 0.5912 H 1 UNL111111111 0.1551 20 H 2.0365 1.4568 1.1831 H 1 UNL111111111 0.1663 21 H -0.5205 -3.0013 -1.2229 H 1 UNL111111111 0.1537 22 H 2.2346 -2.0884 -1.2264 H 1 UNL111111111 0.3252 23 H 2.4448 0.9756 -1.4228 H 1 UNL111111111 0.1517 24 H 3.4761 -0.7573 1.4019 H 1 UNL111111111 0.3446 25 H -1.9481 -1.5161 -2.1661 H 1 UNL111111111 0.3200 26 H -1.8418 -2.3954 2.3097 H 1 UNL111111111 0.3705 27 H -2.1169 0.8223 -1.3356 H 1 UNL111111111 0.4068 @BOND 1 1 2 1 2 1 7 1 3 1 10 2 4 1 11 2 5 2 12 1 6 3 13 1 7 3 22 1 8 4 14 1 9 4 24 1 10 5 15 1 11 5 25 1 12 6 16 1 13 6 26 1 14 7 27 1 15 8 16 2 16 9 17 2 17 12 13 1 18 12 14 1 19 12 18 1 20 13 15 1 21 13 19 1 22 14 17 1 23 14 20 1 24 15 16 1 25 15 21 1 26 17 23 1