@MOLECULE (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranoside 100 104 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.1613 -1.0058 1.6673 C.3 1 UNL1111111111 0.2752 2 O 2.0388 -1.6166 0.4066 O.3 1 UNL1111111111 -0.4425 3 C 1.7583 0.4767 1.4709 C.3 1 UNL1111111111 -0.0783 4 N 0.4345 0.6285 0.8501 N.3 1 UNL1111111111 -0.6396 5 C 2.8020 1.2196 0.5964 C.3 1 UNL1111111111 0.1175 6 O 2.5801 2.6090 0.7339 O.3 1 UNL1111111111 -0.5534 7 C 4.2108 0.9732 1.1668 C.3 1 UNL1111111111 0.0335 8 O 5.1603 1.4451 0.2286 O.3 1 UNL1111111111 -0.3771 9 C 4.4698 -0.5418 1.2645 C.3 1 UNL1111111111 0.0317 10 O 3.4879 -1.1332 2.1106 O.3 1 UNL1111111111 -0.4770 11 C 5.7994 -0.8465 1.9678 C.3 1 UNL1111111111 -0.0212 12 O 5.9702 -0.0388 3.1108 O.3 1 UNL1111111111 -0.5343 13 C 7.5314 4.7962 -1.8532 C.ar 1 UNL1111111111 -0.1469 14 C 6.6902 4.3578 -0.8334 C.ar 1 UNL1111111111 -0.1586 15 C 8.4307 3.9105 -2.4452 C.ar 1 UNL1111111111 -0.1536 16 C 6.7539 3.0326 -0.4000 C.ar 1 UNL1111111111 -0.0124 17 C 8.4843 2.5838 -2.0208 C.ar 1 UNL1111111111 -0.1540 18 C 5.8798 2.5775 0.7265 C.3 1 UNL1111111111 -0.0562 19 C 7.6455 2.1422 -0.9987 C.ar 1 UNL1111111111 -0.1404 20 C 0.9762 -5.2738 -1.3211 C.3 1 UNL1111111111 -0.0093 21 C 2.1771 -5.2688 -0.3677 C.3 1 UNL1111111111 -0.3546 22 C 2.6994 -3.8333 -0.1619 C.3 1 UNL1111111111 0.0325 23 C 1.5633 -2.9553 0.4162 C.3 1 UNL1111111111 0.0618 24 C 0.3245 -2.9459 -0.5033 C.3 1 UNL1111111111 0.0549 25 C -0.1655 -4.3860 -0.7595 C.3 1 UNL1111111111 0.0949 26 N 0.4008 -6.6168 -1.5417 N.3 1 UNL1111111111 -0.6563 27 N 3.8024 -3.9104 0.8225 N.3 1 UNL1111111111 -0.6665 28 O -0.6322 -2.2407 0.2807 O.3 1 UNL1111111111 -0.4352 29 O -1.1706 -4.2709 -1.7435 O.3 1 UNL1111111111 -0.5713 30 C -2.3954 0.1746 -1.4132 C.3 1 UNL1111111111 0.0424 31 O -1.3852 -0.8244 -1.3389 O.3 1 UNL1111111111 -0.4711 32 C -1.7787 -1.8414 -0.4157 C.3 1 UNL1111111111 0.2813 33 C -2.7016 -1.1635 0.6309 C.3 1 UNL1111111111 0.0406 34 O -3.7261 -2.0302 1.0107 O.3 1 UNL1111111111 -0.5119 35 C -3.2120 0.1031 -0.1051 C.3 1 UNL1111111111 0.0078 36 O -4.5444 -0.1399 -0.5319 O.3 1 UNL1111111111 -0.4350 37 C -1.6937 1.5140 -1.6458 C.3 1 UNL1111111111 -0.0295 38 O -1.5860 1.7522 -3.0316 O.3 1 UNL1111111111 -0.5358 39 C -6.2158 2.6158 0.9515 C.3 1 UNL1111111111 0.0805 40 O -5.3284 1.8392 0.1598 O.3 1 UNL1111111111 -0.4810 41 C -5.5289 0.4422 0.2903 C.3 1 UNL1111111111 0.2860 42 C -6.8754 0.0833 -0.3797 C.3 1 UNL1111111111 -0.0381 43 N -6.9388 0.5721 -1.7714 N.3 1 UNL1111111111 -0.6426 44 C -7.9744 0.8076 0.4409 C.3 1 UNL1111111111 0.0862 45 O -7.9201 0.1743 1.7067 O.3 1 UNL1111111111 -0.5705 46 C -7.6977 2.3151 0.6448 C.3 1 UNL1111111111 0.0506 47 O -8.1377 3.0262 -0.4842 O.3 1 UNL1111111111 -0.5514 48 C -5.8544 4.0611 0.5598 C.3 1 UNL1111111111 -0.1197 49 N -4.5131 4.3661 1.1090 N.3 1 UNL1111111111 -0.6417 50 H 1.5881 -1.5234 2.4656 H 1 UNL1111111111 0.1387 51 H 1.7448 0.9706 2.4797 H 1 UNL1111111111 0.1629 52 H 0.2918 -0.0260 0.0815 H 1 UNL1111111111 0.2878 53 H -0.3071 0.4531 1.5122 H 1 UNL1111111111 0.2446 54 H 2.7317 0.9506 -0.4784 H 1 UNL1111111111 0.1500 55 H 1.6336 2.7935 0.5324 H 1 UNL1111111111 0.3355 56 H 4.3149 1.4646 2.1599 H 1 UNL1111111111 0.1577 57 H 4.4240 -1.0172 0.2591 H 1 UNL1111111111 0.1491 58 H 5.8669 -1.9093 2.2630 H 1 UNL1111111111 0.1238 59 H 6.6575 -0.5702 1.3245 H 1 UNL1111111111 0.1597 60 H 5.2375 -0.1993 3.7418 H 1 UNL1111111111 0.3194 61 H 7.4827 5.8298 -2.1894 H 1 UNL1111111111 0.1480 62 H 5.9812 5.0465 -0.3785 H 1 UNL1111111111 0.1538 63 H 9.0863 4.2548 -3.2415 H 1 UNL1111111111 0.1463 64 H 9.1856 1.8940 -2.4863 H 1 UNL1111111111 0.1457 65 H 5.1544 3.3538 1.0423 H 1 UNL1111111111 0.1444 66 H 6.4813 2.2544 1.6020 H 1 UNL1111111111 0.1417 67 H 7.6819 1.1064 -0.6668 H 1 UNL1111111111 0.1560 68 H 1.2791 -4.8678 -2.3236 H 1 UNL1111111111 0.1569 69 H 1.9154 -5.7092 0.6149 H 1 UNL1111111111 0.1671 70 H 2.9907 -5.9068 -0.7577 H 1 UNL1111111111 0.1542 71 H 3.0356 -3.3994 -1.1376 H 1 UNL1111111111 0.1331 72 H 1.2863 -3.2877 1.4416 H 1 UNL1111111111 0.1524 73 H 0.5060 -2.3930 -1.4509 H 1 UNL1111111111 0.1703 74 H -0.6349 -4.8207 0.1497 H 1 UNL1111111111 0.1420 75 H 0.9745 -7.1838 -2.1417 H 1 UNL1111111111 0.2551 76 H 0.2494 -7.1135 -0.6760 H 1 UNL1111111111 0.2537 77 H 4.6920 -4.0553 0.3756 H 1 UNL1111111111 0.2506 78 H 3.8512 -3.0766 1.3918 H 1 UNL1111111111 0.2777 79 H -1.2988 -5.1381 -2.1976 H 1 UNL1111111111 0.3480 80 H -3.0349 -0.0879 -2.2934 H 1 UNL1111111111 0.1652 81 H -2.2442 -2.6683 -0.9862 H 1 UNL1111111111 0.1669 82 H -2.1769 -0.9452 1.5841 H 1 UNL1111111111 0.1635 83 H -4.4197 -2.0609 0.3043 H 1 UNL1111111111 0.3261 84 H -3.1438 1.0181 0.5115 H 1 UNL1111111111 0.1583 85 H -2.2998 2.3678 -1.2896 H 1 UNL1111111111 0.1457 86 H -0.6867 1.5481 -1.1855 H 1 UNL1111111111 0.1578 87 H -1.0017 1.0833 -3.4450 H 1 UNL1111111111 0.3205 88 H -5.9871 2.4109 2.0233 H 1 UNL1111111111 0.1483 89 H -5.4284 0.1191 1.3456 H 1 UNL1111111111 0.1470 90 H -7.0510 -1.0187 -0.3268 H 1 UNL1111111111 0.1600 91 H -6.1842 1.2298 -1.9471 H 1 UNL1111111111 0.2747 92 H -6.8689 -0.1798 -2.4376 H 1 UNL1111111111 0.2618 93 H -8.9702 0.6594 -0.0322 H 1 UNL1111111111 0.1480 94 H -8.7772 0.2353 2.1688 H 1 UNL1111111111 0.3274 95 H -8.3388 2.7250 1.4611 H 1 UNL1111111111 0.1497 96 H -7.8581 2.5608 -1.3098 H 1 UNL1111111111 0.3467 97 H -5.9143 4.1753 -0.5451 H 1 UNL1111111111 0.1387 98 H -6.5917 4.7656 1.0027 H 1 UNL1111111111 0.1543 99 H -3.8344 3.7012 0.7699 H 1 UNL1111111111 0.2547 100 H -4.2149 5.2954 0.8595 H 1 UNL1111111111 0.2476 @BOND 1 1 2 1 2 1 3 1 3 1 10 1 4 1 50 1 5 2 23 1 6 3 4 1 7 3 5 1 8 3 51 1 9 4 52 1 10 4 53 1 11 5 6 1 12 5 7 1 13 5 54 1 14 6 55 1 15 7 8 1 16 7 9 1 17 7 56 1 18 8 18 1 19 9 10 1 20 9 11 1 21 9 57 1 22 11 12 1 23 11 58 1 24 11 59 1 25 12 60 1 26 13 14 ar 27 13 15 ar 28 13 61 1 29 14 16 ar 30 14 62 1 31 15 17 ar 32 15 63 1 33 16 18 1 34 16 19 ar 35 17 19 ar 36 17 64 1 37 18 65 1 38 18 66 1 39 19 67 1 40 20 25 1 41 20 68 1 42 21 20 1 43 21 22 1 44 21 69 1 45 21 70 1 46 22 23 1 47 22 71 1 48 23 24 1 49 23 72 1 50 24 73 1 51 25 24 1 52 25 74 1 53 26 20 1 54 26 75 1 55 26 76 1 56 27 22 1 57 27 77 1 58 27 78 1 59 28 24 1 60 29 25 1 61 29 79 1 62 30 31 1 63 30 37 1 64 30 80 1 65 32 28 1 66 32 33 1 67 32 31 1 68 32 81 1 69 33 34 1 70 33 35 1 71 33 82 1 72 34 83 1 73 35 36 1 74 35 30 1 75 35 84 1 76 36 41 1 77 37 38 1 78 37 85 1 79 37 86 1 80 38 87 1 81 39 88 1 82 40 39 1 83 40 41 1 84 41 89 1 85 42 44 1 86 42 41 1 87 42 90 1 88 43 42 1 89 43 91 1 90 43 92 1 91 44 46 1 92 44 93 1 93 45 44 1 94 45 94 1 95 46 39 1 96 46 95 1 97 47 46 1 98 47 96 1 99 48 39 1 100 48 97 1 101 48 98 1 102 49 48 1 103 49 99 1 104 49 100 1