@MOLECULE n-[(1s,2r,3r,4r,5s,6r)-4-amino-3-({(2r,3r,6s)-3-amino-6-[(1s)-1-aminoethyl]tetrahydro-2h-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-n~2~-(iminomethyl)-n-methylglycinamide 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4546 0.2299 -0.0757 O.3 1 UNL1111111111 -0.3731 2 O 1.8010 -2.7074 1.4125 O.3 1 UNL1111111111 -0.3360 3 O 0.8696 -1.3089 -2.3457 O.3 1 UNL1111111111 -0.5722 4 O -3.2791 1.3285 -0.9287 O.3 1 UNL1111111111 -0.4904 5 O -0.7803 -1.8181 1.7652 O.3 1 UNL1111111111 -0.5138 6 O 2.6972 1.3943 0.3970 O.2 1 UNL1111111111 -0.5038 7 N 2.7403 -0.7326 -0.3381 N.am 1 UNL1111111111 -0.5129 8 N -2.7715 -2.3003 -0.2465 N.3 1 UNL1111111111 -0.6640 9 N -0.2871 2.5125 0.9703 N.3 1 UNL1111111111 -0.6742 10 N -5.4925 -0.1609 -1.4446 N.3 1 UNL1111111111 -0.6659 11 N 5.4246 1.8057 -0.0350 N.2 1 UNL1111111111 -0.4508 12 N 7.3051 3.1559 0.0730 N.pl3 1 UNL1111111111 -0.6242 13 C -1.0393 -0.6871 -1.0704 C.3 1 UNL1111111111 0.0158 14 C 1.3188 -0.9339 -0.0388 C.3 1 UNL1111111111 0.0712 15 C 0.4822 -0.4786 -1.2645 C.3 1 UNL1111111111 0.0749 16 C -1.3513 -2.1237 -0.6129 C.3 1 UNL1111111111 -0.0303 17 C 0.9921 -2.4127 0.2892 C.3 1 UNL1111111111 0.0315 18 C -0.5072 -2.5719 0.6141 C.3 1 UNL1111111111 0.0966 19 C -1.9210 1.4524 -0.6096 C.3 1 UNL1111111111 0.2723 20 C -1.6628 2.5427 0.4601 C.3 1 UNL1111111111 0.0313 21 C -4.1607 1.0935 0.1705 C.3 1 UNL1111111111 0.1203 22 C -2.6036 2.3186 1.6621 C.3 1 UNL1111111111 -0.2717 23 C -4.0507 2.2422 1.1776 C.3 1 UNL1111111111 -0.3376 24 C -5.5458 1.0052 -0.5215 C.3 1 UNL1111111111 0.0387 25 C 3.4435 -1.8533 -0.9617 C.3 1 UNL1111111111 -0.2266 26 C 3.3569 0.4712 -0.0215 C.2 1 UNL1111111111 0.5943 27 C 1.8889 -4.0865 1.7171 C.3 1 UNL1111111111 -0.2150 28 C -6.6580 0.7616 0.5041 C.3 1 UNL1111111111 -0.4568 29 C 4.8661 0.4860 -0.2809 C.3 1 UNL1111111111 -0.1903 30 C 6.6979 1.9482 -0.2537 C.2 1 UNL1111111111 0.2181 31 H -1.5759 -0.4979 -2.0309 H 1 UNL1111111111 0.1283 32 H 1.0264 -0.3063 0.8611 H 1 UNL1111111111 0.2172 33 H 0.7130 0.5837 -1.4982 H 1 UNL1111111111 0.1355 34 H -1.0682 -2.7963 -1.4713 H 1 UNL1111111111 0.1382 35 H 1.2542 -3.0847 -0.5593 H 1 UNL1111111111 0.1267 36 H -0.7524 -3.6324 0.8585 H 1 UNL1111111111 0.1227 37 H -1.4700 1.6924 -1.5975 H 1 UNL1111111111 0.1188 38 H -1.9137 3.5281 -0.0158 H 1 UNL1111111111 0.1213 39 H -3.8852 0.1227 0.6405 H 1 UNL1111111111 0.1499 40 H -2.4681 3.1278 2.4004 H 1 UNL1111111111 0.1451 41 H -2.3028 1.3867 2.1853 H 1 UNL1111111111 0.1747 42 H -3.3323 -1.4779 -0.4322 H 1 UNL1111111111 0.2805 43 H -3.1928 -3.0889 -0.7114 H 1 UNL1111111111 0.2524 44 H -4.3597 3.1990 0.7198 H 1 UNL1111111111 0.1462 45 H -4.7333 2.0734 2.0305 H 1 UNL1111111111 0.1484 46 H 0.7224 -0.8642 -3.2003 H 1 UNL1111111111 0.3182 47 H -1.7402 -1.5798 1.7561 H 1 UNL1111111111 0.3350 48 H -5.7349 1.9621 -1.0679 H 1 UNL1111111111 0.1203 49 H 3.7551 -2.5857 -0.1937 H 1 UNL1111111111 0.1467 50 H 4.3267 -1.5367 -1.5318 H 1 UNL1111111111 0.1268 51 H 2.7857 -2.3647 -1.6934 H 1 UNL1111111111 0.1636 52 H 0.3659 1.9339 0.4804 H 1 UNL1111111111 0.2876 53 H 0.0989 3.4252 1.1246 H 1 UNL1111111111 0.2623 54 H 0.9122 -4.4990 1.9879 H 1 UNL1111111111 0.1282 55 H 2.3375 -4.6474 0.8936 H 1 UNL1111111111 0.1094 56 H 2.5484 -4.0957 2.5951 H 1 UNL1111111111 0.1469 57 H -6.4508 -0.1376 1.1016 H 1 UNL1111111111 0.1653 58 H -7.6239 0.5977 0.0119 H 1 UNL1111111111 0.1472 59 H -6.7741 1.6080 1.1879 H 1 UNL1111111111 0.1461 60 H 5.3299 -0.2796 0.3895 H 1 UNL1111111111 0.1595 61 H 5.0505 0.1738 -1.3397 H 1 UNL1111111111 0.1449 62 H -6.3451 -0.2551 -1.9702 H 1 UNL1111111111 0.2483 63 H -4.7182 -0.0746 -2.0821 H 1 UNL1111111111 0.2555 64 H 7.3931 1.1831 -0.6393 H 1 UNL1111111111 0.1301 65 H 6.7321 3.9257 0.3599 H 1 UNL1111111111 0.3077 66 H 8.1704 3.3861 -0.3565 H 1 UNL1111111111 0.2890 @BOND 1 1 13 1 2 1 19 1 3 2 17 1 4 2 27 1 5 3 15 1 6 3 46 1 7 4 19 1 8 4 21 1 9 5 18 1 10 5 47 1 11 6 26 2 12 7 14 1 13 7 25 1 14 7 26 am 15 8 16 1 16 8 42 1 17 8 43 1 18 9 20 1 19 9 52 1 20 9 53 1 21 10 24 1 22 10 62 1 23 10 63 1 24 11 29 1 25 11 30 2 26 12 30 1 27 12 65 1 28 12 66 1 29 13 15 1 30 13 16 1 31 13 31 1 32 14 15 1 33 14 17 1 34 14 32 1 35 15 33 1 36 16 18 1 37 16 34 1 38 17 18 1 39 17 35 1 40 18 36 1 41 19 20 1 42 19 37 1 43 20 22 1 44 20 38 1 45 21 23 1 46 21 24 1 47 21 39 1 48 22 23 1 49 22 40 1 50 22 41 1 51 23 44 1 52 23 45 1 53 24 28 1 54 24 48 1 55 25 49 1 56 25 50 1 57 25 51 1 58 26 29 1 59 27 54 1 60 27 55 1 61 27 56 1 62 28 57 1 63 28 58 1 64 28 59 1 65 29 60 1 66 29 61 1 67 30 64 1