@MOLECULE methyl 4-deoxy-4-{[(1r,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-d-glucopyranoside 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8215 0.1164 -0.8499 O.3 1 UNL1111111111 -0.4480 2 O -2.3488 -1.5809 2.1153 O.3 1 UNL1111111111 -0.5663 3 O 2.6448 1.2022 -2.3022 O.3 1 UNL1111111111 -0.5532 4 O -1.9632 1.8684 1.2152 O.3 1 UNL1111111111 -0.5022 5 O -4.3155 1.5112 0.1220 O.3 1 UNL1111111111 -0.3496 6 O 2.0876 1.9382 1.2324 O.3 1 UNL1111111111 -0.5533 7 O 4.7842 0.5881 -0.7457 O.3 1 UNL1111111111 -0.5859 8 O -3.6086 -2.3742 -1.8157 O.3 1 UNL1111111111 -0.5365 9 O 5.4549 -1.5664 0.7580 O.3 1 UNL1111111111 -0.5538 10 N 0.0383 0.2923 0.0939 N.3 1 UNL1111111111 -0.5897 11 C -0.8995 -0.8197 0.3376 C.3 1 UNL1111111111 -0.0389 12 C -1.5939 -0.4686 1.6818 C.3 1 UNL1111111111 0.0858 13 C 1.1127 0.0093 -0.8887 C.3 1 UNL1111111111 -0.0080 14 C -1.9294 -0.9705 -0.8058 C.3 1 UNL1111111111 0.0299 15 C 1.8809 1.3426 -1.1347 C.3 1 UNL1111111111 0.0922 16 C -2.6318 0.6687 1.5311 C.3 1 UNL1111111111 0.0551 17 C 2.8003 1.7021 0.0515 C.3 1 UNL1111111111 0.0578 18 C -3.5633 0.3528 0.3423 C.3 1 UNL1111111111 0.2843 19 C 3.8118 0.5602 0.3068 C.3 1 UNL1111111111 0.0940 20 C 2.0184 -1.0577 -0.3359 C.2 1 UNL1111111111 -0.1726 21 C 3.2178 -0.8153 0.1999 C.2 1 UNL1111111111 -0.0800 22 C -2.6915 -2.3027 -0.7443 C.3 1 UNL1111111111 -0.0611 23 C 4.0900 -1.9231 0.7158 C.3 1 UNL1111111111 -0.0104 24 C -5.1816 1.4259 -0.9993 C.3 1 UNL1111111111 -0.2000 25 H -0.3364 -1.7771 0.4602 H 1 UNL1111111111 0.1504 26 H -0.8329 -0.2048 2.4495 H 1 UNL1111111111 0.1365 27 H 0.7129 -0.3321 -1.8839 H 1 UNL1111111111 0.1509 28 H -1.4351 -0.8640 -1.8059 H 1 UNL1111111111 0.1620 29 H -0.5099 1.1317 -0.1607 H 1 UNL1111111111 0.3079 30 H 1.1802 2.1739 -1.3766 H 1 UNL1111111111 0.1590 31 H -3.2247 0.8028 2.4629 H 1 UNL1111111111 0.1467 32 H 3.3260 2.6670 -0.1349 H 1 UNL1111111111 0.1539 33 H -4.2198 -0.5221 0.5438 H 1 UNL1111111111 0.1230 34 H 4.3277 0.7073 1.2856 H 1 UNL1111111111 0.1572 35 H 1.6231 -2.0705 -0.4073 H 1 UNL1111111111 0.1497 36 H -3.2493 -2.4389 0.2006 H 1 UNL1111111111 0.1456 37 H -2.0283 -3.1713 -0.9048 H 1 UNL1111111111 0.1434 38 H -1.7833 -2.2407 2.5620 H 1 UNL1111111111 0.3273 39 H 4.0118 -2.8420 0.1005 H 1 UNL1111111111 0.1320 40 H 3.8541 -2.1722 1.7714 H 1 UNL1111111111 0.1479 41 H 3.4816 0.7103 -2.1160 H 1 UNL1111111111 0.3466 42 H -1.4216 2.1718 1.9757 H 1 UNL1111111111 0.3112 43 H 1.3468 1.2825 1.3293 H 1 UNL1111111111 0.3520 44 H 5.3174 1.4087 -0.7068 H 1 UNL1111111111 0.3326 45 H -4.0371 -1.4981 -1.9400 H 1 UNL1111111111 0.3234 46 H -4.6042 1.3690 -1.9283 H 1 UNL1111111111 0.1396 47 H -5.7264 2.3784 -0.9498 H 1 UNL1111111111 0.1522 48 H -5.8690 0.5809 -0.9080 H 1 UNL1111111111 0.1202 49 H 5.6757 -0.9845 -0.0054 H 1 UNL1111111111 0.3393 @BOND 1 1 14 1 2 1 18 1 3 2 12 1 4 2 38 1 5 3 15 1 6 3 41 1 7 4 16 1 8 4 42 1 9 5 18 1 10 5 24 1 11 6 17 1 12 6 43 1 13 7 19 1 14 7 44 1 15 8 22 1 16 8 45 1 17 9 23 1 18 9 49 1 19 10 11 1 20 10 13 1 21 10 29 1 22 11 12 1 23 11 14 1 24 11 25 1 25 12 16 1 26 12 26 1 27 13 15 1 28 13 20 1 29 13 27 1 30 14 22 1 31 14 28 1 32 15 17 1 33 15 30 1 34 16 18 1 35 16 31 1 36 17 19 1 37 17 32 1 38 18 33 1 39 19 21 1 40 19 34 1 41 20 21 2 42 20 35 1 43 21 23 1 44 22 36 1 45 22 37 1 46 23 39 1 47 23 40 1 48 24 46 1 49 24 47 1 50 24 48 1