@MOLECULE 4,6-dideoxy-4-{[(1s,4r,5r,6s)-4-[(6-deoxy-alpha-d-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose 107 111 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.0233 2.0672 1.4046 C.3 1 UNL1111111111 -0.0083 2 C -3.1974 0.8750 2.3785 C.3 1 UNL1111111111 0.0658 3 C -3.9137 -0.3113 1.7055 C.3 1 UNL1111111111 0.0831 4 C -5.3040 0.1009 1.1789 C.3 1 UNL1111111111 0.0984 5 C -5.2963 1.4553 0.5269 C.2 1 UNL1111111111 -0.1026 6 C -6.5056 1.7692 -0.3043 C.3 1 UNL1111111111 -0.0000 7 C -4.3046 2.3385 0.6645 C.2 1 UNL1111111111 -0.1557 8 O -1.9477 0.3541 2.7684 O.3 1 UNL1111111111 -0.6120 9 O -4.1674 -1.3044 2.6800 O.3 1 UNL1111111111 -0.5717 10 O -5.6674 -0.7958 0.1356 O.3 1 UNL1111111111 -0.4850 11 O -6.2933 2.8893 -1.1406 O.3 1 UNL1111111111 -0.5422 12 C 1.9291 3.2308 -0.2437 C.3 1 UNL1111111111 0.2808 13 C 1.4478 3.2800 1.2265 C.3 1 UNL1111111111 0.0362 14 C 0.2468 2.3325 1.3733 C.3 1 UNL1111111111 0.0503 15 C -0.8685 2.7257 0.3773 C.3 1 UNL1111111111 -0.0315 16 C -0.2652 2.7190 -1.0599 C.3 1 UNL1111111111 0.1432 17 C -1.2086 3.3544 -2.0723 C.3 1 UNL1111111111 -0.4583 18 N -2.0021 1.7901 0.3652 N.3 1 UNL1111111111 -0.5512 19 O 2.4494 2.9005 2.1271 O.3 1 UNL1111111111 -0.5520 20 O -0.3090 2.4807 2.6733 O.3 1 UNL1111111111 -0.5926 21 O 0.8872 3.5533 -1.1102 O.3 1 UNL1111111111 -0.4408 22 C 5.3354 -0.2068 -2.0270 C.3 1 UNL1111111111 0.2819 23 C 5.4867 1.3086 -2.2928 C.3 1 UNL1111111111 0.0324 24 C 4.4897 2.0893 -1.4170 C.3 1 UNL1111111111 0.0597 25 C 3.0567 1.5395 -1.5430 C.3 1 UNL1111111111 0.0667 26 C 3.0410 -0.0012 -1.4415 C.3 1 UNL1111111111 0.0377 27 C 1.7224 -0.6137 -1.9288 C.3 1 UNL1111111111 -0.0164 28 O 6.7914 1.7402 -2.0001 O.3 1 UNL1111111111 -0.5366 29 O 4.4177 3.4216 -1.8857 O.3 1 UNL1111111111 -0.5647 30 O 2.3176 1.8846 -0.3838 O.3 1 UNL1111111111 -0.4901 31 O 4.0178 -0.5974 -2.2776 O.3 1 UNL1111111111 -0.4454 32 O 1.6569 -1.9536 -1.4914 O.3 1 UNL1111111111 -0.5358 33 C 7.3096 -2.9554 1.9230 C.3 1 UNL1111111111 0.3119 34 C 7.4486 -3.3929 0.4513 C.3 1 UNL1111111111 0.0329 35 C 7.0942 -2.2236 -0.4820 C.3 1 UNL1111111111 0.0617 36 C 5.7380 -1.6016 -0.1021 C.3 1 UNL1111111111 0.0616 37 C 5.6640 -1.2977 1.4140 C.3 1 UNL1111111111 0.0528 38 C 4.2350 -0.9968 1.8951 C.3 1 UNL1111111111 -0.0136 39 O 8.2955 -1.9706 2.1007 O.3 1 UNL1111111111 -0.6060 40 O 8.7527 -3.8317 0.1797 O.3 1 UNL1111111111 -0.5346 41 O 6.9143 -2.7187 -1.7940 O.3 1 UNL1111111111 -0.5654 42 O 5.6626 -0.3028 -0.6598 O.3 1 UNL1111111111 -0.4801 43 O 6.0364 -2.4383 2.1748 O.3 1 UNL1111111111 -0.4575 44 O 4.1793 0.3218 2.3915 O.3 1 UNL1111111111 -0.5569 45 C -6.1352 -2.0611 0.5540 C.3 1 UNL1111111111 0.2714 46 C -6.1423 -2.8793 -0.7593 C.3 1 UNL1111111111 0.0313 47 C -7.1895 -2.3030 -1.7246 C.3 1 UNL1111111111 0.0481 48 C -8.5562 -2.1765 -1.0271 C.3 1 UNL1111111111 0.0694 49 C -8.4162 -1.3824 0.2910 C.3 1 UNL1111111111 0.1224 50 C -9.6780 -1.4681 1.1366 C.3 1 UNL1111111111 -0.4609 51 O -4.8820 -2.8583 -1.3808 O.3 1 UNL1111111111 -0.5424 52 O -7.4143 -3.2058 -2.7905 O.3 1 UNL1111111111 -0.5719 53 O -9.4185 -1.3891 -1.8235 O.3 1 UNL1111111111 -0.5544 54 O -7.4115 -1.9773 1.1060 O.3 1 UNL1111111111 -0.4359 55 H -2.7412 2.9712 2.0115 H 1 UNL1111111111 0.1583 56 H -3.7311 1.1889 3.3035 H 1 UNL1111111111 0.1421 57 H -3.2925 -0.7685 0.9039 H 1 UNL1111111111 0.1474 58 H -6.0647 0.0436 1.9970 H 1 UNL1111111111 0.1667 59 H -6.8072 0.9134 -0.9439 H 1 UNL1111111111 0.1437 60 H -7.3672 2.0842 0.3189 H 1 UNL1111111111 0.1519 61 H -4.3483 3.3271 0.2022 H 1 UNL1111111111 0.1694 62 H -1.2771 1.0758 2.8599 H 1 UNL1111111111 0.3633 63 H -3.3506 -1.4680 3.2043 H 1 UNL1111111111 0.3434 64 H -5.5048 2.7444 -1.7038 H 1 UNL1111111111 0.3150 65 H 2.7350 3.9468 -0.5131 H 1 UNL1111111111 0.1766 66 H 1.2023 4.3220 1.5341 H 1 UNL1111111111 0.1682 67 H 0.5532 1.2667 1.2682 H 1 UNL1111111111 0.1486 68 H -1.2323 3.7566 0.6188 H 1 UNL1111111111 0.1647 69 H 0.0312 1.6899 -1.3578 H 1 UNL1111111111 0.1270 70 H -0.8126 3.2730 -3.0910 H 1 UNL1111111111 0.1538 71 H -2.1919 2.8638 -2.0387 H 1 UNL1111111111 0.1712 72 H -1.3568 4.4220 -1.8682 H 1 UNL1111111111 0.1571 73 H -1.6938 0.8178 0.4043 H 1 UNL1111111111 0.2793 74 H 2.9176 2.0805 1.8268 H 1 UNL1111111111 0.3541 75 H 0.4225 2.5358 3.3344 H 1 UNL1111111111 0.3524 76 H 5.9444 -0.8824 -2.6645 H 1 UNL1111111111 0.1759 77 H 5.3647 1.5448 -3.3743 H 1 UNL1111111111 0.1730 78 H 4.8152 2.1124 -0.3502 H 1 UNL1111111111 0.1573 79 H 2.5511 1.9378 -2.4480 H 1 UNL1111111111 0.1607 80 H 3.2416 -0.3071 -0.3816 H 1 UNL1111111111 0.1625 81 H 0.8492 -0.1369 -1.4423 H 1 UNL1111111111 0.1543 82 H 1.6203 -0.5706 -3.0269 H 1 UNL1111111111 0.1315 83 H 7.0894 1.3559 -1.1433 H 1 UNL1111111111 0.3319 84 H 5.3246 3.7824 -2.0053 H 1 UNL1111111111 0.3361 85 H 2.3728 -2.4736 -1.9171 H 1 UNL1111111111 0.3218 86 H 7.4165 -3.7688 2.6707 H 1 UNL1111111111 0.1454 87 H 6.8219 -4.2917 0.2374 H 1 UNL1111111111 0.1744 88 H 7.9013 -1.4567 -0.5076 H 1 UNL1111111111 0.1521 89 H 4.8969 -2.2302 -0.4654 H 1 UNL1111111111 0.1610 90 H 6.3513 -0.4542 1.6630 H 1 UNL1111111111 0.1615 91 H 3.4960 -0.9821 1.0646 H 1 UNL1111111111 0.1614 92 H 3.9005 -1.7191 2.6637 H 1 UNL1111111111 0.1450 93 H 8.2841 -1.5974 3.0042 H 1 UNL1111111111 0.3460 94 H 9.4147 -3.1897 0.5313 H 1 UNL1111111111 0.3369 95 H 7.6625 -3.3106 -2.0348 H 1 UNL1111111111 0.3390 96 H 4.5585 0.3799 3.2907 H 1 UNL1111111111 0.3230 97 H -5.5222 -2.4934 1.3768 H 1 UNL1111111111 0.1783 98 H -6.3188 -3.9607 -0.5584 H 1 UNL1111111111 0.1677 99 H -6.8593 -1.3344 -2.1622 H 1 UNL1111111111 0.1484 100 H -9.0239 -3.1730 -0.8770 H 1 UNL1111111111 0.1446 101 H -8.1322 -0.3280 0.0799 H 1 UNL1111111111 0.1397 102 H -9.6132 -0.8179 2.0170 H 1 UNL1111111111 0.1544 103 H -10.5550 -1.1657 0.5472 H 1 UNL1111111111 0.1682 104 H -9.8499 -2.4887 1.5017 H 1 UNL1111111111 0.1581 105 H -4.4709 -1.9670 -1.2929 H 1 UNL1111111111 0.3353 106 H -6.5539 -3.5167 -3.1489 H 1 UNL1111111111 0.3381 107 H -9.4468 -1.7609 -2.7332 H 1 UNL1111111111 0.3349 @BOND 1 1 2 1 2 1 7 1 3 1 18 1 4 1 55 1 5 2 3 1 6 2 8 1 7 2 56 1 8 3 4 1 9 3 9 1 10 3 57 1 11 4 5 1 12 4 10 1 13 4 58 1 14 5 6 1 15 5 7 2 16 6 11 1 17 6 59 1 18 6 60 1 19 7 61 1 20 8 62 1 21 9 63 1 22 10 45 1 23 11 64 1 24 12 13 1 25 12 21 1 26 12 30 1 27 12 65 1 28 13 14 1 29 13 19 1 30 13 66 1 31 14 15 1 32 14 20 1 33 14 67 1 34 15 16 1 35 15 18 1 36 15 68 1 37 16 17 1 38 16 21 1 39 16 69 1 40 17 70 1 41 17 71 1 42 17 72 1 43 18 73 1 44 19 74 1 45 20 75 1 46 22 23 1 47 22 31 1 48 22 42 1 49 22 76 1 50 23 24 1 51 23 28 1 52 23 77 1 53 24 25 1 54 24 29 1 55 24 78 1 56 25 26 1 57 25 30 1 58 25 79 1 59 26 27 1 60 26 31 1 61 26 80 1 62 27 32 1 63 27 81 1 64 27 82 1 65 28 83 1 66 29 84 1 67 32 85 1 68 33 34 1 69 33 39 1 70 33 43 1 71 33 86 1 72 34 35 1 73 34 40 1 74 34 87 1 75 35 36 1 76 35 41 1 77 35 88 1 78 36 37 1 79 36 42 1 80 36 89 1 81 37 38 1 82 37 43 1 83 37 90 1 84 38 44 1 85 38 91 1 86 38 92 1 87 39 93 1 88 40 94 1 89 41 95 1 90 44 96 1 91 45 46 1 92 45 54 1 93 45 97 1 94 46 47 1 95 46 51 1 96 46 98 1 97 47 48 1 98 47 52 1 99 47 99 1 100 48 49 1 101 48 53 1 102 48 100 1 103 49 50 1 104 49 54 1 105 49 101 1 106 50 102 1 107 50 103 1 108 50 104 1 109 51 105 1 110 52 106 1 111 53 107 1