@MOLECULE (1s,2r,3s,4r,5r)-2,3,4-trihydroxy-n-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.0233 -2.8014 0.2368 S.2 1 UNL1111111111 -0.5210 2 C 1.0255 -1.1384 -0.0393 C.2 1 UNL1111111111 0.4878 3 N 2.2006 -0.3922 -0.0463 N.am 1 UNL1111111111 -0.5261 4 C 3.5459 -1.0260 -0.1128 C.3 1 UNL1111111111 0.0330 5 C 4.4231 -0.2336 0.8969 C.3 1 UNL1111111111 0.1098 6 O 5.7044 -0.8066 0.7594 O.3 1 UNL1111111111 -0.5526 7 C 4.5041 1.2690 0.5224 C.3 1 UNL1111111111 0.0536 8 O 4.9417 1.8950 1.7137 O.3 1 UNL1111111111 -0.5671 9 C 3.1146 1.8214 0.1524 C.3 1 UNL1111111111 0.0439 10 O 3.2341 3.0266 -0.5661 O.3 1 UNL1111111111 -0.5323 11 C 3.9788 -0.7034 -1.5598 C.3 1 UNL1111111111 -0.0756 12 O 3.2578 0.4903 -1.9019 O.3 1 UNL1111111111 -0.3908 13 C 2.4016 0.8480 -0.8351 C.3 1 UNL1111111111 0.2497 14 N -0.1214 -0.4168 -0.1756 N.am 1 UNL1111111111 -0.5168 15 C -1.4478 -1.0418 -0.0088 C.3 1 UNL1111111111 -0.0585 16 C -2.5451 0.0130 -0.2153 C.3 1 UNL1111111111 -0.3039 17 C -3.9062 -0.5970 0.1419 C.3 1 UNL1111111111 -0.2640 18 C -5.0356 0.4066 -0.1224 C.3 1 UNL1111111111 -0.2724 19 C -6.3897 -0.1951 0.2748 C.3 1 UNL1111111111 -0.2750 20 C -7.5304 0.7864 -0.0216 C.3 1 UNL1111111111 -0.2747 21 C -8.8848 0.1758 0.3629 C.3 1 UNL1111111111 -0.2504 22 C -10.0279 1.1457 0.0643 C.3 1 UNL1111111111 -0.4395 23 H -0.1105 0.5882 -0.2795 H 1 UNL1111111111 0.3058 24 H 3.5595 -2.1139 0.1276 H 1 UNL1111111111 0.2075 25 H 1.5087 1.2907 -1.3158 H 1 UNL1111111111 0.1551 26 H 4.0629 -0.3657 1.9417 H 1 UNL1111111111 0.1554 27 H 5.0503 -0.4754 -1.6688 H 1 UNL1111111111 0.1614 28 H 3.6702 -1.4690 -2.2896 H 1 UNL1111111111 0.1510 29 H 6.3122 -0.4248 1.4296 H 1 UNL1111111111 0.3335 30 H 5.2367 1.4493 -0.2943 H 1 UNL1111111111 0.1568 31 H 5.3778 2.7465 1.5225 H 1 UNL1111111111 0.3217 32 H 2.4954 1.9827 1.0627 H 1 UNL1111111111 0.1457 33 H 3.4009 3.7750 0.0418 H 1 UNL1111111111 0.3172 34 H -1.5655 -1.8749 -0.7441 H 1 UNL1111111111 0.1674 35 H -1.5255 -1.4977 1.0079 H 1 UNL1111111111 0.1623 36 H -2.3599 0.9055 0.4121 H 1 UNL1111111111 0.1438 37 H -2.5496 0.3649 -1.2651 H 1 UNL1111111111 0.1501 38 H -4.0790 -1.5202 -0.4448 H 1 UNL1111111111 0.1449 39 H -3.9184 -0.9064 1.2051 H 1 UNL1111111111 0.1428 40 H -4.8582 1.3415 0.4408 H 1 UNL1111111111 0.1363 41 H -5.0484 0.6933 -1.1907 H 1 UNL1111111111 0.1382 42 H -6.5575 -1.1432 -0.2702 H 1 UNL1111111111 0.1389 43 H -6.3875 -0.4585 1.3493 H 1 UNL1111111111 0.1378 44 H -7.3723 1.7310 0.5308 H 1 UNL1111111111 0.1365 45 H -7.5301 1.0580 -1.0937 H 1 UNL1111111111 0.1373 46 H -9.0418 -0.7720 -0.1864 H 1 UNL1111111111 0.1346 47 H -8.8878 -0.0916 1.4366 H 1 UNL1111111111 0.1342 48 H -9.9165 2.0809 0.6241 H 1 UNL1111111111 0.1425 49 H -10.0692 1.4016 -1.0003 H 1 UNL1111111111 0.1428 50 H -10.9969 0.7126 0.3363 H 1 UNL1111111111 0.1417 @BOND 1 1 2 2 2 2 3 1 3 2 14 1 4 3 4 1 5 3 13 1 6 4 5 1 7 4 11 1 8 4 24 1 9 5 6 1 10 5 7 1 11 5 26 1 12 6 29 1 13 7 8 1 14 7 9 1 15 7 30 1 16 8 31 1 17 9 10 1 18 9 13 1 19 9 32 1 20 10 33 1 21 11 12 1 22 11 27 1 23 11 28 1 24 12 13 1 25 13 25 1 26 14 15 1 27 14 23 1 28 15 16 1 29 15 34 1 30 15 35 1 31 16 17 1 32 16 36 1 33 16 37 1 34 17 18 1 35 17 38 1 36 17 39 1 37 18 19 1 38 18 40 1 39 18 41 1 40 19 20 1 41 19 42 1 42 19 43 1 43 20 21 1 44 20 44 1 45 20 45 1 46 21 22 1 47 21 46 1 48 21 47 1 49 22 48 1 50 22 49 1 51 22 50 1