@MOLECULE methyl 2-deoxy-3-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.3635 -1.7372 -0.2326 S.O2 1 UNL1111111111 2.5352 2 S -1.0660 2.5805 0.3478 S.O2 1 UNL1111111111 2.6099 3 O 2.4105 -1.1653 -0.1832 O.3 1 UNL1111111111 -0.4597 4 O 0.2696 1.7509 -0.1637 O.3 1 UNL1111111111 -0.7399 5 O 0.9247 -0.6357 -2.7132 O.3 1 UNL1111111111 -0.5296 6 O 1.3605 -2.1088 1.5818 O.3 1 UNL1111111111 -0.4153 7 O 4.5165 0.6086 0.1877 O.3 1 UNL1111111111 -0.5344 8 O -2.7021 -0.9619 1.1613 O.3 1 UNL1111111111 -0.8513 9 O -2.8125 -3.0939 -0.1623 O.2 1 UNL1111111111 -0.8542 10 O -2.7228 -0.8405 -1.2982 O.2 1 UNL1111111111 -0.9020 11 O -0.3665 3.4534 1.5369 O.3 1 UNL1111111111 -0.7980 12 O -1.5413 3.4431 -0.6736 O.2 1 UNL1111111111 -0.8054 13 O -1.9010 1.6069 1.0187 O.2 1 UNL1111111111 -0.9890 14 N -0.6182 -1.7721 -0.1848 N.3 1 UNL1111111111 -0.8651 15 C 0.1007 0.4801 -0.7694 C.3 1 UNL1111111111 0.1166 16 C 0.0611 -0.5874 0.3582 C.3 1 UNL1111111111 -0.0377 17 C 1.2828 0.3255 -1.7530 C.3 1 UNL1111111111 0.0801 18 C 2.5992 -0.1062 -1.0966 C.3 1 UNL1111111111 0.0218 19 C 1.4949 -0.9103 0.8628 C.3 1 UNL1111111111 0.2884 20 C 3.3302 1.0644 -0.4267 C.3 1 UNL1111111111 -0.0627 21 C 2.5871 -2.7144 1.9572 C.3 1 UNL1111111111 -0.1782 22 H -0.8436 0.4637 -1.3856 H 1 UNL1111111111 0.1912 23 H -0.4783 -0.1790 1.2633 H 1 UNL1111111111 0.1729 24 H 1.4194 1.2585 -2.3519 H 1 UNL1111111111 0.1670 25 H 3.2593 -0.6092 -1.8520 H 1 UNL1111111111 0.1773 26 H 1.9045 -0.1131 1.5190 H 1 UNL1111111111 0.1170 27 H -0.1839 -2.6441 0.1298 H 1 UNL1111111111 0.3287 28 H 2.7157 1.5744 0.3376 H 1 UNL1111111111 0.1389 29 H 3.6822 1.8122 -1.1629 H 1 UNL1111111111 0.1553 30 H 0.5768 -1.4467 -2.2603 H 1 UNL1111111111 0.3459 31 H 3.2069 -2.0241 2.5357 H 1 UNL1111111111 0.1227 32 H 3.1224 -3.0779 1.0724 H 1 UNL1111111111 0.1445 33 H 2.2542 -3.5562 2.5810 H 1 UNL1111111111 0.1563 34 H 4.3692 -0.2818 0.5744 H 1 UNL1111111111 0.3204 35 H -2.6566 0.0253 1.1542 H 1 UNL1111111111 0.4342 36 H -0.4843 3.1272 2.4473 H 1 UNL1111111111 0.3984 @BOND 1 1 8 1 2 1 9 2 3 1 10 2 4 1 14 1 5 2 4 1 6 2 11 1 7 2 12 2 8 2 13 2 9 3 18 1 10 3 19 1 11 4 15 1 12 5 17 1 13 5 30 1 14 6 19 1 15 6 21 1 16 7 20 1 17 7 34 1 18 8 35 1 19 11 36 1 20 14 16 1 21 14 27 1 22 15 16 1 23 15 17 1 24 15 22 1 25 16 19 1 26 16 23 1 27 17 18 1 28 17 24 1 29 18 20 1 30 18 25 1 31 19 26 1 32 20 28 1 33 20 29 1 34 21 31 1 35 21 32 1 36 21 33 1