@MOLECULE 3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-glucopyranose 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.2332 -2.7640 -0.6486 C.3 1 UNL111 0.3095 2 O 0.8691 -3.1214 0.6593 O.3 1 UNL111 -0.6031 3 C 2.4807 -1.8628 -0.5040 C.3 1 UNL111 0.0630 4 O 3.4224 -2.4850 0.3247 O.3 1 UNL111 -0.5138 5 C 2.1219 -0.4683 0.0417 C.3 1 UNL111 0.0402 6 O 3.1776 0.3494 -0.4602 O.3 1 UNL111 -0.4418 7 C 0.8196 0.1040 -0.5481 C.3 1 UNL111 0.0332 8 O 0.2894 1.0354 0.3863 O.3 1 UNL111 -0.4451 9 C -0.3028 -0.9509 -0.6204 C.3 1 UNL111 0.0560 10 O 0.1828 -2.1037 -1.2924 O.3 1 UNL111 -0.4574 11 C -1.4883 -0.4964 -1.4865 C.3 1 UNL111 0.0366 12 O -2.6709 -0.6957 -0.7478 O.3 1 UNL111 -0.7555 13 O -3.3786 1.6837 -0.9133 O.2 1 UNL111 -0.8752 14 N -5.0365 -0.1605 -0.1237 N.3 1 UNL111 -0.9244 15 S -3.4876 0.5622 -0.0253 S.O2 1 UNL111 2.5057 16 O -3.1277 0.6510 1.3588 O.2 1 UNL111 -0.8687 17 O 1.4054 2.7488 -0.5486 O.2 1 UNL111 -0.5391 18 C 0.6865 2.3390 0.3249 C.2 1 UNL111 0.6698 19 C 3.6208 1.3876 0.3005 C.2 1 UNL111 0.6653 20 O 3.2111 1.5988 1.4124 O.2 1 UNL111 -0.5343 21 C 0.0849 3.0697 1.4683 C.3 1 UNL111 -0.5091 22 C 4.6367 2.1523 -0.4715 C.3 1 UNL111 -0.5090 23 H 1.3907 -3.6721 -1.2691 H 1 UNL111 0.1439 24 H -0.0199 -3.5298 0.6879 H 1 UNL111 0.3482 25 H 3.0216 -1.7739 -1.4795 H 1 UNL111 0.1765 26 H 3.0053 -2.7763 1.1706 H 1 UNL111 0.3330 27 H 2.1039 -0.4535 1.1570 H 1 UNL111 0.1815 28 H 1.0160 0.5963 -1.5277 H 1 UNL111 0.1693 29 H -0.6440 -1.2305 0.4069 H 1 UNL111 0.1758 30 H -1.3925 0.5491 -1.8365 H 1 UNL111 0.1510 31 H -1.6156 -1.1655 -2.3671 H 1 UNL111 0.1587 32 H -5.3482 -0.7180 0.6526 H 1 UNL111 0.3036 33 H -5.3316 -0.5462 -1.0021 H 1 UNL111 0.3014 34 H 0.7865 3.0695 2.3230 H 1 UNL111 0.1978 35 H -0.1281 4.1159 1.2056 H 1 UNL111 0.1828 36 H -0.8529 2.6024 1.8234 H 1 UNL111 0.2051 37 H 4.1296 2.9151 -1.0928 H 1 UNL111 0.1995 38 H 5.3324 2.6777 0.1996 H 1 UNL111 0.1841 39 H 5.2202 1.5128 -1.1509 H 1 UNL111 0.1849 @BOND 1 1 2 1 2 1 3 1 3 1 10 1 4 1 23 1 5 2 24 1 6 3 4 1 7 3 5 1 8 3 25 1 9 4 26 1 10 5 6 1 11 5 7 1 12 5 27 1 13 6 19 1 14 7 8 1 15 7 9 1 16 7 28 1 17 8 18 1 18 9 10 1 19 9 11 1 20 9 29 1 21 11 12 1 22 11 30 1 23 11 31 1 24 12 15 1 25 13 15 2 26 14 15 1 27 14 32 1 28 14 33 1 29 15 16 2 30 17 18 2 31 18 21 1 32 19 20 2 33 19 22 1 34 21 34 1 35 21 35 1 36 21 36 1 37 22 37 1 38 22 38 1 39 22 39 1