@MOLECULE 4-o-carbamoyl-2-deoxy-2-{[(3s)-3,6-diaminohexanoyl]amino}-n-[(3as,7r,7as)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1h-imidazo[4,5-c]pyridin-2-yl]-beta-d-gulopyranosylamine 69 71 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.0007 -1.4560 0.7806 O.3 1 UNL1111111111 -0.4594 2 O 4.5958 0.8751 0.7448 O.3 1 UNL1111111111 -0.4345 3 O 3.1540 -0.2231 -2.3522 O.3 1 UNL1111111111 -0.5596 4 O -3.5710 -3.9354 1.2973 O.3 1 UNL1111111111 -0.5602 5 O 5.7486 -3.0854 0.6361 O.3 1 UNL1111111111 -0.5434 6 O -2.9024 -0.9488 -2.7188 O.2 1 UNL1111111111 -0.4889 7 O 0.0633 2.2470 0.4081 O.2 1 UNL1111111111 -0.5456 8 O 5.6886 2.4546 -0.4897 O.2 1 UNL1111111111 -0.5429 9 N 0.7686 -1.2891 1.0253 N.pl3 1 UNL1111111111 -0.5575 10 N -1.5367 -1.8809 1.5367 N.pl3 1 UNL1111111111 -0.5823 11 N 0.7522 0.7636 -1.1690 N.am 1 UNL1111111111 -0.6043 12 N -0.8082 -1.8215 -0.6941 N.2 1 UNL1111111111 -0.5555 13 N -4.4891 -1.7849 -1.3404 N.am 1 UNL1111111111 -0.6346 14 N -3.1398 3.5309 -1.8882 N.3 1 UNL1111111111 -0.6560 15 N 5.3909 2.6924 1.7849 N.am 1 UNL1111111111 -0.6633 16 N -5.9733 3.2477 2.6162 N.3 1 UNL1111111111 -0.6501 17 C 1.9146 0.3910 -0.3693 C.3 1 UNL1111111111 -0.0306 18 C 3.1927 0.6076 -1.2079 C.3 1 UNL1111111111 0.0931 19 C 1.8446 -1.1112 0.0387 C.3 1 UNL1111111111 0.2862 20 C 4.4319 0.1015 -0.4426 C.3 1 UNL1111111111 0.0564 21 C 4.2084 -1.3367 0.0414 C.3 1 UNL1111111111 0.0658 22 C -2.7609 -1.7201 0.7045 C.3 1 UNL1111111111 -0.0567 23 C -2.2226 -2.1884 -0.7081 C.3 1 UNL1111111111 -0.0360 24 C -3.9612 -2.6072 1.0295 C.3 1 UNL1111111111 0.1275 25 C -0.4658 -1.6791 0.5753 C.cat 1 UNL1111111111 0.5067 26 C 5.2876 -1.8102 1.0250 C.3 1 UNL1111111111 -0.0147 27 C -4.8714 -2.6938 -0.2444 C.3 1 UNL1111111111 -0.0999 28 C -3.1624 -1.5800 -1.7231 C.2 1 UNL1111111111 0.5704 29 C -0.1704 1.6623 -0.6290 C.2 1 UNL1111111111 0.5994 30 C -1.3706 1.9204 -1.4954 C.3 1 UNL1111111111 -0.4048 31 C -2.3626 2.8831 -0.8112 C.3 1 UNL1111111111 0.0933 32 C 5.2705 2.0610 0.5751 C.2 1 UNL1111111111 0.7191 33 C -3.2421 2.1155 0.2063 C.3 1 UNL1111111111 -0.3453 34 C -4.1545 3.0686 0.9812 C.3 1 UNL1111111111 -0.2735 35 C -5.1412 2.2824 1.8631 C.3 1 UNL1111111111 -0.0990 36 H 1.9757 1.0256 0.5622 H 1 UNL1111111111 0.2018 37 H 3.3017 1.6732 -1.5082 H 1 UNL1111111111 0.1562 38 H 1.7336 -1.7929 -0.8439 H 1 UNL1111111111 0.1692 39 H 5.3414 0.1762 -1.0858 H 1 UNL1111111111 0.1755 40 H 4.1518 -2.0119 -0.8519 H 1 UNL1111111111 0.1674 41 H -3.0886 -0.6494 0.6795 H 1 UNL1111111111 0.1563 42 H -2.2839 -3.3129 -0.8155 H 1 UNL1111111111 0.1910 43 H -4.5269 -2.2603 1.9186 H 1 UNL1111111111 0.1393 44 H 1.0505 -1.4642 1.9824 H 1 UNL1111111111 0.3339 45 H -1.5030 -1.3233 2.3809 H 1 UNL1111111111 0.2993 46 H 0.4118 0.0487 -1.8145 H 1 UNL1111111111 0.3335 47 H 6.2009 -1.1898 0.9843 H 1 UNL1111111111 0.1568 48 H 4.9112 -1.8414 2.0644 H 1 UNL1111111111 0.1415 49 H -5.9245 -2.4753 0.0366 H 1 UNL1111111111 0.1509 50 H -4.8425 -3.7561 -0.5989 H 1 UNL1111111111 0.1662 51 H -5.2294 -1.4819 -1.9570 H 1 UNL1111111111 0.3214 52 H 2.6456 0.2152 -3.0687 H 1 UNL1111111111 0.3363 53 H -1.0275 2.3834 -2.4546 H 1 UNL1111111111 0.2022 54 H -1.8696 0.9789 -1.8074 H 1 UNL1111111111 0.1887 55 H -2.6426 -3.9531 1.6271 H 1 UNL1111111111 0.3478 56 H -1.7915 3.6874 -0.2719 H 1 UNL1111111111 0.1683 57 H 5.0312 -3.7458 0.6898 H 1 UNL1111111111 0.3169 58 H -2.5740 1.5839 0.9152 H 1 UNL1111111111 0.1499 59 H -3.8353 1.3417 -0.3099 H 1 UNL1111111111 0.1361 60 H -4.7158 3.7292 0.2951 H 1 UNL1111111111 0.1304 61 H -3.5510 3.7470 1.6210 H 1 UNL1111111111 0.1652 62 H -3.7967 4.2037 -1.5262 H 1 UNL1111111111 0.2494 63 H -3.6332 2.8561 -2.4468 H 1 UNL1111111111 0.2502 64 H 5.8309 3.5889 1.8370 H 1 UNL1111111111 0.3252 65 H 4.9764 2.3179 2.6128 H 1 UNL1111111111 0.3213 66 H -5.7425 1.5874 1.2407 H 1 UNL1111111111 0.1020 67 H -4.5855 1.6690 2.6033 H 1 UNL1111111111 0.1388 68 H -6.6218 2.7869 3.2301 H 1 UNL1111111111 0.2459 69 H -6.4830 3.8654 2.0063 H 1 UNL1111111111 0.2460 @BOND 1 1 19 1 2 1 21 1 3 2 20 1 4 2 32 1 5 3 18 1 6 3 52 1 7 4 24 1 8 4 55 1 9 5 26 1 10 5 57 1 11 6 28 2 12 7 29 2 13 8 32 2 14 9 19 1 15 9 25 1 16 9 44 1 17 10 22 1 18 10 25 1 19 10 45 1 20 11 17 1 21 11 29 am 22 11 46 1 23 12 23 1 24 12 25 2 25 13 27 1 26 13 28 am 27 13 51 1 28 14 31 1 29 14 62 1 30 14 63 1 31 15 32 am 32 15 64 1 33 15 65 1 34 16 35 1 35 16 68 1 36 16 69 1 37 17 18 1 38 17 19 1 39 17 36 1 40 18 20 1 41 18 37 1 42 19 38 1 43 20 21 1 44 20 39 1 45 21 26 1 46 21 40 1 47 22 23 1 48 22 24 1 49 22 41 1 50 23 28 1 51 23 42 1 52 24 27 1 53 24 43 1 54 26 47 1 55 26 48 1 56 27 49 1 57 27 50 1 58 29 30 1 59 30 31 1 60 30 53 1 61 30 54 1 62 31 33 1 63 31 56 1 64 33 34 1 65 33 58 1 66 33 59 1 67 34 35 1 68 34 60 1 69 34 61 1 70 35 66 1 71 35 67 1