@MOLECULE n-{1-[(2r,5s,6r)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-d-glucopyranosyl]oxy}-6-methyltetrahydro-2h-pyran-2-yl]-2-oxo-1,2-dihydro-4-pyrimidinyl}-4-[(2-methyl-l-seryl)amino]benzamide 86 89 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.2999 1.3745 1.2308 O.3 1 UNL111111111 -0.4516 2 O -6.2467 -0.3880 0.1902 O.3 1 UNL111111111 -0.4256 3 O -2.8723 -0.0486 -1.0752 O.3 1 UNL111111111 -0.4694 4 O -10.4991 -1.1155 0.6880 O.3 1 UNL111111111 -0.5342 5 O -7.8882 -2.2205 1.2260 O.3 1 UNL111111111 -0.4971 6 O -0.4472 -3.1248 -1.1885 O.2 1 UNL111111111 -0.4775 7 O 3.3064 1.2320 1.1188 O.2 1 UNL111111111 -0.4904 8 O 11.6436 2.2984 -0.5694 O.3 1 UNL111111111 -0.5953 9 O 10.1734 -1.5035 -0.1245 O.2 1 UNL111111111 -0.5239 10 N -10.3498 1.4624 -0.8332 N.3 1 UNL111111111 -0.3911 11 N -0.8504 -0.9691 -0.5937 N.ar 1 UNL111111111 -0.4847 12 N 1.4039 -1.8126 -0.7650 N.ar 1 UNL111111111 -0.6075 13 N 3.2421 -0.5262 -0.3176 N.am 1 UNL111111111 -0.5597 14 N 9.5759 0.6841 0.1970 N.am 1 UNL111111111 -0.5549 15 N 12.8145 -1.1296 -0.3370 N.3 1 UNL111111111 -0.6364 16 C -9.4675 1.0110 0.2589 C.3 1 UNL111111111 -0.0772 17 C -9.2643 -0.5229 0.3653 C.3 1 UNL111111111 0.0903 18 C -8.2158 -0.8653 1.4373 C.3 1 UNL111111111 0.0159 19 C -6.9540 0.0273 1.3344 C.3 1 UNL111111111 0.2560 20 C -8.0891 1.7072 0.0894 C.3 1 UNL111111111 0.1462 21 C -4.8350 -0.2632 0.3060 C.3 1 UNL111111111 0.0639 22 C -4.2934 -1.5880 0.8659 C.3 1 UNL111111111 -0.3148 23 C -4.3007 -0.0532 -1.1297 C.3 1 UNL111111111 0.1417 24 C -2.7692 -1.5522 0.8362 C.3 1 UNL111111111 -0.3428 25 C -2.2986 -1.2504 -0.5990 C.3 1 UNL111111111 0.3073 26 C -8.2022 3.2231 0.1557 C.3 1 UNL111111111 -0.4613 27 C -4.6211 1.3233 -1.6883 C.3 1 UNL111111111 -0.4643 28 C -11.7790 1.3012 -0.4836 C.3 1 UNL111111111 -0.2767 29 C -10.0668 0.7983 -2.1229 C.3 1 UNL111111111 -0.2809 30 C -0.3836 0.2696 -0.2546 C.ar 1 UNL111111111 0.1862 31 C 0.0596 -2.0709 -0.8890 C.ar 1 UNL111111111 0.7038 32 C 0.9694 0.4954 -0.1519 C.ar 1 UNL111111111 -0.4398 33 C 1.8449 -0.6051 -0.3908 C.ar 1 UNL111111111 0.5140 34 C 3.9234 0.4113 0.4786 C.2 1 UNL111111111 0.6083 35 C 5.4014 0.3709 0.4372 C.ar 1 UNL111111111 -0.2131 36 C 11.9988 0.0397 0.0375 C.3 1 UNL111111111 0.1372 37 C 6.0491 1.5797 0.7212 C.ar 1 UNL111111111 -0.0177 38 C 6.1538 -0.7687 0.1477 C.ar 1 UNL111111111 -0.0447 39 C 10.4922 -0.3444 0.0157 C.2 1 UNL111111111 0.5228 40 C 12.3050 1.1252 -1.0209 C.3 1 UNL111111111 -0.0046 41 C 8.1819 0.5307 0.2964 C.ar 1 UNL111111111 0.2693 42 C 12.3677 0.5205 1.4413 C.3 1 UNL111111111 -0.4613 43 C 7.4300 1.6731 0.6455 C.ar 1 UNL111111111 -0.2827 44 C 7.5382 -0.6960 0.0702 C.ar 1 UNL111111111 -0.2461 45 H -9.9109 1.3725 1.2260 H 1 UNL111111111 0.1515 46 H -9.0010 -1.0101 -0.6016 H 1 UNL111111111 0.1775 47 H -8.6513 -0.7731 2.4594 H 1 UNL111111111 0.1302 48 H -6.3336 0.0019 2.2562 H 1 UNL111111111 0.1312 49 H -7.5635 1.3623 -0.8265 H 1 UNL111111111 0.1343 50 H -4.5640 0.6017 0.9486 H 1 UNL111111111 0.1376 51 H -4.6542 -1.7491 1.8963 H 1 UNL111111111 0.1416 52 H -4.6881 -2.4386 0.2771 H 1 UNL111111111 0.1669 53 H -4.6364 -0.8675 -1.8085 H 1 UNL111111111 0.1380 54 H -2.3399 -2.5154 1.1766 H 1 UNL111111111 0.1718 55 H -2.3884 -0.7842 1.5370 H 1 UNL111111111 0.1581 56 H -2.5337 -2.0790 -1.3169 H 1 UNL111111111 0.1673 57 H -8.9461 3.5795 -0.5751 H 1 UNL111111111 0.1770 58 H -7.2431 3.7085 -0.0520 H 1 UNL111111111 0.1502 59 H -8.5301 3.5584 1.1493 H 1 UNL111111111 0.1566 60 H -4.3335 2.1284 -0.9909 H 1 UNL111111111 0.1575 61 H -4.0673 1.4965 -2.6208 H 1 UNL111111111 0.1640 62 H -5.6930 1.4309 -1.8954 H 1 UNL111111111 0.1621 63 H -10.8040 -0.8456 1.5775 H 1 UNL111111111 0.3064 64 H -7.1145 -2.4745 1.7768 H 1 UNL111111111 0.3041 65 H -12.3880 1.7683 -1.2759 H 1 UNL111111111 0.1433 66 H -11.9954 1.8385 0.4520 H 1 UNL111111111 0.1371 67 H -12.0947 0.2503 -0.3723 H 1 UNL111111111 0.1430 68 H -10.5858 1.3591 -2.9192 H 1 UNL111111111 0.1475 69 H -10.3946 -0.2529 -2.1731 H 1 UNL111111111 0.1348 70 H -8.9886 0.8370 -2.3410 H 1 UNL111111111 0.1415 71 H -1.1229 1.0647 -0.0721 H 1 UNL111111111 0.1864 72 H 1.3622 1.4714 0.1118 H 1 UNL111111111 0.2174 73 H 3.7569 -1.2983 -0.7499 H 1 UNL111111111 0.3374 74 H 5.4556 2.4567 1.0017 H 1 UNL111111111 0.1734 75 H 5.6711 -1.7346 -0.0158 H 1 UNL111111111 0.1580 76 H 11.9178 0.8504 -2.0169 H 1 UNL111111111 0.1280 77 H 13.3944 1.3180 -1.0738 H 1 UNL111111111 0.1472 78 H 11.9769 1.5297 1.6368 H 1 UNL111111111 0.1725 79 H 11.9837 -0.1433 2.2247 H 1 UNL111111111 0.1582 80 H 13.4603 0.5756 1.5598 H 1 UNL111111111 0.1718 81 H 9.9479 1.6385 0.2343 H 1 UNL111111111 0.3425 82 H 7.9259 2.6171 0.8562 H 1 UNL111111111 0.1633 83 H 8.1111 -1.5971 -0.1661 H 1 UNL111111111 0.2043 84 H 12.9292 -1.7704 0.4359 H 1 UNL111111111 0.2676 85 H 12.4111 -1.6433 -1.1128 H 1 UNL111111111 0.2693 86 H 11.8257 3.0506 -1.1635 H 1 UNL111111111 0.3363 @BOND 1 1 19 1 2 1 20 1 3 2 19 1 4 2 21 1 5 3 23 1 6 3 25 1 7 4 17 1 8 4 63 1 9 5 18 1 10 5 64 1 11 6 31 2 12 7 34 2 13 8 40 1 14 8 86 1 15 9 39 2 16 10 16 1 17 10 28 1 18 10 29 1 19 11 25 1 20 11 30 ar 21 11 31 ar 22 12 31 ar 23 12 33 ar 24 13 33 1 25 13 34 am 26 13 73 1 27 14 39 am 28 14 41 1 29 14 81 1 30 15 36 1 31 15 84 1 32 15 85 1 33 16 17 1 34 16 20 1 35 16 45 1 36 17 18 1 37 17 46 1 38 18 19 1 39 18 47 1 40 19 48 1 41 20 26 1 42 20 49 1 43 21 22 1 44 21 23 1 45 21 50 1 46 22 24 1 47 22 51 1 48 22 52 1 49 23 27 1 50 23 53 1 51 24 25 1 52 24 54 1 53 24 55 1 54 25 56 1 55 26 57 1 56 26 58 1 57 26 59 1 58 27 60 1 59 27 61 1 60 27 62 1 61 28 65 1 62 28 66 1 63 28 67 1 64 29 68 1 65 29 69 1 66 29 70 1 67 30 32 ar 68 30 71 1 69 32 33 ar 70 32 72 1 71 34 35 1 72 35 37 ar 73 35 38 ar 74 36 39 1 75 36 40 1 76 36 42 1 77 37 43 ar 78 37 74 1 79 38 44 ar 80 38 75 1 81 40 76 1 82 40 77 1 83 41 43 ar 84 41 44 ar 85 42 78 1 86 42 79 1 87 42 80 1 88 43 82 1 89 44 83 1