@MOLECULE 2,3-di-o-sulfo-alpha-d-glucopyranose 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.8816 -0.1213 1.0989 C.3 1 UNL11 0.3013 2 C -0.8037 0.2721 0.0593 C.3 1 UNL11 0.1099 3 C 0.6213 -0.0368 0.5620 C.3 1 UNL11 0.1300 4 C 0.8474 0.3999 2.0214 C.3 1 UNL11 0.0640 5 C -0.3416 -0.0231 2.9115 C.3 1 UNL11 0.0420 6 C -0.2891 0.6665 4.2805 C.3 1 UNL11 -0.0240 7 O -1.8776 -1.5160 1.1636 O.3 1 UNL11 -0.5625 8 O -0.8994 -0.5356 -1.0964 O.3 1 UNL11 -0.7052 9 O 1.4188 0.8133 -0.2428 O.3 1 UNL11 -0.7732 10 O 1.9534 -0.2526 2.5988 O.3 1 UNL11 -0.5668 11 O -1.5583 0.4423 2.3397 O.3 1 UNL11 -0.4731 12 O -1.2867 0.1332 5.1215 O.3 1 UNL11 -0.5277 13 O -2.4709 -1.4680 -2.8279 O.2 1 UNL11 -0.7951 14 O -2.9753 0.7126 -1.6605 O.2 1 UNL11 -0.9286 15 O -1.1035 0.5895 -3.2647 O.3 1 UNL11 -0.8326 16 O 3.2644 -0.8146 -0.1631 O.2 1 UNL11 -0.9062 17 O 3.6125 1.3952 -1.2998 O.2 1 UNL11 -0.8235 18 O 2.1055 -0.3066 -2.3418 O.3 1 UNL11 -0.8058 19 S -2.0678 -0.2461 -2.2244 S.O2 1 UNL11 2.5544 20 S 2.7995 0.2683 -0.9848 S.O2 1 UNL11 2.5716 21 H -2.8988 0.2797 0.8856 H 1 UNL11 0.1588 22 H -0.9022 1.3549 -0.2018 H 1 UNL11 0.1631 23 H 0.8666 -1.1192 0.4138 H 1 UNL11 0.1799 24 H 1.0511 1.4946 2.0788 H 1 UNL11 0.1561 25 H -0.3825 -1.1310 3.0230 H 1 UNL11 0.1662 26 H -0.4174 1.7603 4.2034 H 1 UNL11 0.1288 27 H 0.6590 0.4275 4.8066 H 1 UNL11 0.1718 28 H -2.5112 -1.8493 1.8349 H 1 UNL11 0.3384 29 H 2.6003 -0.5669 1.9210 H 1 UNL11 0.3593 30 H -2.1717 0.2952 4.7310 H 1 UNL11 0.3168 31 H -1.3387 1.5136 -3.4433 H 1 UNL11 0.3990 32 H 1.1317 -0.2240 -2.4169 H 1 UNL11 0.4130 @BOND 1 1 2 1 2 1 7 1 3 1 11 1 4 1 21 1 5 2 3 1 6 2 8 1 7 2 22 1 8 3 4 1 9 3 9 1 10 3 23 1 11 4 5 1 12 4 10 1 13 4 24 1 14 5 6 1 15 5 11 1 16 5 25 1 17 6 12 1 18 6 26 1 19 6 27 1 20 7 28 1 21 8 19 1 22 9 20 1 23 10 29 1 24 12 30 1 25 13 19 2 26 14 19 2 27 15 19 1 28 15 31 1 29 16 20 2 30 17 20 2 31 18 20 1 32 18 32 1