@MOLECULE (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-d-xylopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside 68 70 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7330 0.3405 -0.4837 O.3 1 UNL11 -0.4767 2 O -0.9773 0.8315 0.1970 O.3 1 UNL11 -0.4038 3 O 0.5123 3.4642 -1.7365 O.3 1 UNL11 -0.5446 4 O 3.4923 -1.0003 -1.0545 O.3 1 UNL11 -0.4591 5 O -2.8357 0.8467 -1.0692 O.3 1 UNL11 -0.4168 6 O 0.1535 -3.1910 0.1200 O.3 1 UNL11 -0.5764 7 O -2.0352 -1.7076 -0.3633 O.3 1 UNL11 -0.6228 8 O 2.4841 -3.0663 1.7775 O.3 1 UNL11 -0.5265 9 O -4.3296 -1.6412 -1.7573 O.3 1 UNL11 -0.5468 10 O 5.7999 -0.8714 0.7487 O.3 1 UNL11 -0.5435 11 N 2.8457 3.6269 0.4972 N.3 1 UNL11 -0.6427 12 N -0.0408 4.2661 1.1071 N.3 1 UNL11 -0.6854 13 N -0.0100 -1.1906 -2.1064 N.3 1 UNL11 -0.6288 14 N -4.7192 -0.3922 1.7054 N.3 1 UNL11 -0.5439 15 C 1.8359 1.7389 -0.6972 C.3 1 UNL11 0.0780 16 C -0.6463 2.1930 -0.0720 C.3 1 UNL11 0.0453 17 C 0.4345 2.1798 -1.1694 C.3 1 UNL11 0.0930 18 C 2.2931 2.2726 0.6836 C.3 1 UNL11 0.0371 19 C -0.1736 2.7949 1.2764 C.3 1 UNL11 0.0179 20 C 1.1554 2.1667 1.7204 C.3 1 UNL11 -0.3414 21 C 2.2376 -0.5159 -1.4693 C.3 1 UNL11 0.3266 22 C 1.2204 -1.6957 -1.4978 C.3 1 UNL11 -0.0604 23 C -2.3635 0.5998 0.2467 C.3 1 UNL11 0.2580 24 C 1.1164 -2.1751 -0.0279 C.3 1 UNL11 0.0505 25 C -2.5813 -0.8802 0.6287 C.3 1 UNL11 0.1203 26 C 2.5043 -2.6512 0.4369 C.3 1 UNL11 0.0421 27 C 3.5211 -1.4971 0.2760 C.3 1 UNL11 0.0292 28 C -4.1149 -1.1564 0.5929 C.3 1 UNL11 -0.0594 29 C -4.7042 -0.7118 -0.7744 C.3 1 UNL11 0.0918 30 C -4.2335 0.6942 -1.1862 C.3 1 UNL11 -0.0792 31 C 4.9665 -1.9734 0.4597 C.3 1 UNL11 -0.0204 32 C -4.7728 -1.1765 2.9557 C.3 1 UNL11 -0.2711 33 H 2.5948 1.9936 -1.4721 H 1 UNL11 0.1579 34 H -1.5276 2.7546 -0.4649 H 1 UNL11 0.1524 35 H 0.1012 1.5400 -2.0265 H 1 UNL11 0.1762 36 H 3.1423 1.6179 1.0302 H 1 UNL11 0.1490 37 H -0.9489 2.5474 2.0520 H 1 UNL11 0.1214 38 H 1.4833 2.5980 2.6819 H 1 UNL11 0.1366 39 H 0.9677 1.0863 1.9103 H 1 UNL11 0.1679 40 H 2.4316 -0.0407 -2.4487 H 1 UNL11 0.1564 41 H 1.6242 -2.5135 -2.1457 H 1 UNL11 0.1558 42 H -2.8596 1.2900 0.9658 H 1 UNL11 0.1281 43 H 0.6997 -1.3767 0.6363 H 1 UNL11 0.1740 44 H -2.1382 -1.1062 1.6185 H 1 UNL11 0.1312 45 H 2.8284 -3.5720 -0.0965 H 1 UNL11 0.1540 46 H 3.2900 -0.6629 0.9773 H 1 UNL11 0.1526 47 H -4.2699 -2.2630 0.6833 H 1 UNL11 0.1549 48 H 2.1183 4.2830 0.2488 H 1 UNL11 0.2624 49 H 3.2968 3.9603 1.3340 H 1 UNL11 0.2455 50 H 0.3664 4.7019 1.9189 H 1 UNL11 0.2540 51 H -0.9275 4.7057 0.9112 H 1 UNL11 0.2581 52 H 0.6982 4.1271 -1.0301 H 1 UNL11 0.3333 53 H -5.8157 -0.7768 -0.7779 H 1 UNL11 0.1368 54 H -4.7440 1.4824 -0.6071 H 1 UNL11 0.1219 55 H -4.3902 0.8571 -2.2725 H 1 UNL11 0.1659 56 H 5.0711 -2.6255 1.3490 H 1 UNL11 0.1591 57 H 5.3504 -2.4898 -0.4387 H 1 UNL11 0.1314 58 H -0.6994 -1.9160 -2.2388 H 1 UNL11 0.2594 59 H -0.4517 -0.4702 -1.5360 H 1 UNL11 0.2903 60 H -5.6488 -0.0531 1.4623 H 1 UNL11 0.2577 61 H 0.3738 -3.9960 -0.3886 H 1 UNL11 0.3345 62 H -1.3081 -2.2845 -0.0441 H 1 UNL11 0.3684 63 H 2.0381 -2.4050 2.3477 H 1 UNL11 0.3174 64 H -3.3423 -1.7243 -1.7529 H 1 UNL11 0.3529 65 H -3.7520 -1.4661 3.2570 H 1 UNL11 0.1497 66 H -5.3863 -2.0884 2.8936 H 1 UNL11 0.1227 67 H -5.1799 -0.5356 3.7558 H 1 UNL11 0.1459 68 H 5.6713 -0.1730 0.0707 H 1 UNL11 0.3241 @BOND 1 1 15 1 2 1 21 1 3 2 16 1 4 2 23 1 5 3 17 1 6 3 52 1 7 4 21 1 8 4 27 1 9 5 23 1 10 5 30 1 11 6 24 1 12 6 61 1 13 7 25 1 14 7 62 1 15 8 26 1 16 8 63 1 17 9 29 1 18 9 64 1 19 10 31 1 20 10 68 1 21 11 18 1 22 11 48 1 23 11 49 1 24 12 19 1 25 12 50 1 26 12 51 1 27 13 22 1 28 13 58 1 29 13 59 1 30 14 28 1 31 14 32 1 32 14 60 1 33 15 17 1 34 15 33 1 35 16 17 1 36 16 34 1 37 17 35 1 38 18 15 1 39 18 20 1 40 18 36 1 41 19 16 1 42 19 20 1 43 19 37 1 44 20 38 1 45 20 39 1 46 21 22 1 47 21 40 1 48 22 24 1 49 22 41 1 50 23 25 1 51 23 42 1 52 24 26 1 53 24 43 1 54 25 28 1 55 25 44 1 56 26 27 1 57 26 45 1 58 27 31 1 59 27 46 1 60 28 29 1 61 28 47 1 62 29 30 1 63 29 53 1 64 30 54 1 65 30 55 1 66 31 56 1 67 31 57 1 68 32 65 1 69 32 66 1 70 32 67 1