@MOLECULE [(2R,3R,4S,5R,6R)-3,4-dihydroxy-5-[(E)-[(2S,3R,4R,5S)-3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-piperidyl]methyleneamino]-6-methyl-tetrahydropyran-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[(5R)-5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate 93 96 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.3656 1.0216 1.4111 C.3 1 UNL1111 -0.4698 2 C -1.6740 0.0875 0.4266 C.3 1 UNL1111 0.1393 3 O -1.9078 -1.2073 0.9655 O.3 1 UNL1111 -0.3898 4 C -1.4149 -2.2946 0.2544 C.3 1 UNL1111 0.2835 5 O 0.0287 -2.2046 0.2540 O.3 1 UNL1111 -0.2970 6 P 0.8421 -3.2114 1.1914 P.3 1 UNL1111 0.3850 7 O 1.3332 -4.2037 0.0476 O.3 1 UNL1111 -0.3519 8 O 0.1747 -3.7750 2.3523 O.2 1 UNL1111 -0.2140 9 O 2.1182 -2.5118 1.7796 O.3 1 UNL1111 -0.2011 10 P 3.4299 -1.6380 1.8411 P.3 1 UNL1111 0.3637 11 O 2.9808 -0.4102 2.7466 O.3 1 UNL1111 -0.3327 12 O 4.5196 -2.3869 2.4407 O.2 1 UNL1111 -0.2297 13 O 3.6194 -1.0091 0.3799 O.3 1 UNL1111 -0.2684 14 C 4.7578 -0.1546 0.1291 C.3 1 UNL1111 -0.0590 15 C 5.8084 -0.9463 -0.6648 C.3 1 UNL1111 0.0495 16 O 6.2851 -0.0638 -1.6846 O.3 1 UNL1111 -0.4614 17 C 7.6463 0.2608 -1.5129 C.3 1 UNL1111 0.3311 18 C 8.2507 -0.7306 -0.5157 C.3 1 UNL1111 -0.3754 19 C 7.0385 -1.4121 0.1482 C.3 1 UNL1111 0.1430 20 O 7.2005 -2.8010 -0.0706 O.3 1 UNL1111 -0.5694 21 N 7.7483 1.6686 -1.0900 N.am 1 UNL1111 -0.5525 22 C 7.7553 2.6703 -2.1691 C.3 1 UNL1111 -0.0707 23 C 6.9244 3.9257 -1.8627 C.3 1 UNL1111 -0.2049 24 C 5.4236 3.6809 -2.0136 C.3 1 UNL1111 -0.4399 25 C 7.1911 4.4143 -0.4546 C.2 1 UNL1111 0.5866 26 O 7.1715 5.5720 -0.1189 O.2 1 UNL1111 -0.4773 27 N 7.4192 3.4250 0.5036 N.am 1 UNL1111 -0.6487 28 C 7.4854 2.0387 0.2179 C.2 1 UNL1111 0.7305 29 O 7.3844 1.2572 1.1446 O.2 1 UNL1111 -0.5415 30 C -1.7983 -2.2780 -1.2573 C.3 1 UNL1111 0.0331 31 O -1.1144 -3.2747 -1.9633 O.3 1 UNL1111 -0.5301 32 C -1.5491 -0.8919 -1.8770 C.3 1 UNL1111 0.1012 33 O -2.0327 -0.7942 -3.1856 O.3 1 UNL1111 -0.5493 34 C -2.2643 0.1847 -1.0052 C.3 1 UNL1111 -0.1083 35 N -3.6818 -0.1476 -0.9673 N.2 1 UNL1111 -0.3907 36 C -4.5290 0.4724 -1.7038 C.2 1 UNL1111 0.0589 37 C -5.9784 0.0462 -1.6245 C.3 1 UNL1111 -0.1744 38 C -6.7441 1.0005 -0.6928 C.3 1 UNL1111 -0.1896 39 C -6.2705 0.8022 0.7642 C.3 1 UNL1111 0.0114 40 O -7.0980 1.7720 1.4309 O.3 1 UNL1111 -0.3839 41 P -6.9476 2.1797 2.9736 P.3 1 UNL1111 0.3543 42 O -7.6383 1.0269 3.8171 O.3 1 UNL1111 -0.3009 43 O -5.6426 2.5145 3.4992 O.2 1 UNL1111 -0.2183 44 O -8.0812 3.3107 2.9604 O.3 1 UNL1111 -0.3466 45 C -8.2650 0.7314 -0.7602 C.3 1 UNL1111 -0.1059 46 N -8.8037 0.7777 -2.1295 N.3 1 UNL1111 -0.5497 47 C -8.1202 -0.1877 -3.0107 C.3 1 UNL1111 0.0162 48 C -8.7138 -0.0731 -4.4199 C.3 1 UNL1111 -0.4691 49 C -6.5829 0.0545 -3.0431 C.3 1 UNL1111 0.0852 50 O -5.9389 -1.0321 -3.6794 O.3 1 UNL1111 -0.5588 51 H -3.3209 0.5886 1.7543 H 1 UNL1111 0.1831 52 H -1.7594 1.1743 2.3106 H 1 UNL1111 0.1559 53 H -2.5865 1.9988 0.9734 H 1 UNL1111 0.1476 54 H -0.5747 0.2610 0.3911 H 1 UNL1111 0.1307 55 H -1.8982 -3.1463 0.7949 H 1 UNL1111 0.1630 56 H 2.3145 -4.4584 0.2081 H 1 UNL1111 0.3326 57 H 2.0399 -0.1178 2.4721 H 1 UNL1111 0.3197 58 H 4.2915 0.6244 -0.5234 H 1 UNL1111 0.1428 59 H 5.1961 0.3644 1.0036 H 1 UNL1111 0.1585 60 H 5.3543 -1.7953 -1.2273 H 1 UNL1111 0.1745 61 H 8.0849 0.1798 -2.5421 H 1 UNL1111 0.1410 62 H 8.8658 -1.4923 -1.0359 H 1 UNL1111 0.1761 63 H 8.9147 -0.2585 0.2288 H 1 UNL1111 0.1821 64 H 6.9607 -1.1891 1.2319 H 1 UNL1111 0.1568 65 H 7.1105 -3.2945 0.7731 H 1 UNL1111 0.3291 66 H 8.8200 2.9574 -2.3428 H 1 UNL1111 0.1496 67 H 7.3840 2.2078 -3.1143 H 1 UNL1111 0.1598 68 H 7.2303 4.7401 -2.5760 H 1 UNL1111 0.1827 69 H 5.0866 2.8188 -1.4196 H 1 UNL1111 0.1627 70 H 4.8391 4.5560 -1.6935 H 1 UNL1111 0.1644 71 H 5.1563 3.4749 -3.0581 H 1 UNL1111 0.1584 72 H 7.5110 3.6986 1.4859 H 1 UNL1111 0.3462 73 H -2.8698 -2.5791 -1.3691 H 1 UNL1111 0.1708 74 H -0.1457 -3.2508 -1.7768 H 1 UNL1111 0.3390 75 H -0.4622 -0.6776 -1.9958 H 1 UNL1111 0.1599 76 H -2.9455 -1.1454 -3.2701 H 1 UNL1111 0.3329 77 H -2.0462 1.1932 -1.4329 H 1 UNL1111 0.1373 78 H -4.3131 1.2985 -2.3976 H 1 UNL1111 0.1322 79 H -6.0426 -1.0061 -1.2251 H 1 UNL1111 0.1909 80 H -6.5497 2.0559 -0.9910 H 1 UNL1111 0.1492 81 H -6.4839 -0.2225 1.1299 H 1 UNL1111 0.1329 82 H -5.1854 1.0036 0.8690 H 1 UNL1111 0.1442 83 H -8.6200 0.9369 3.5339 H 1 UNL1111 0.3079 84 H -8.0442 3.8174 2.0718 H 1 UNL1111 0.3201 85 H -8.5048 -0.2611 -0.3197 H 1 UNL1111 0.1483 86 H -8.8183 1.4800 -0.1494 H 1 UNL1111 0.1586 87 H -8.7716 1.7201 -2.5114 H 1 UNL1111 0.2561 88 H -8.3117 -1.2172 -2.6059 H 1 UNL1111 0.1589 89 H -8.4207 0.8541 -4.9214 H 1 UNL1111 0.1460 90 H -8.4152 -0.9149 -5.0513 H 1 UNL1111 0.1474 91 H -9.8138 -0.0730 -4.3692 H 1 UNL1111 0.1703 92 H -6.3366 0.9836 -3.5964 H 1 UNL1111 0.1169 93 H -6.3050 -1.1830 -4.5718 H 1 UNL1111 0.3212 @BOND 1 1 51 1 2 1 52 1 3 1 53 1 4 2 1 1 5 2 34 1 6 2 54 1 7 3 2 1 8 4 3 1 9 4 30 1 10 4 55 1 11 5 4 1 12 6 7 1 13 6 5 1 14 7 56 1 15 8 6 2 16 9 6 1 17 10 9 1 18 10 11 1 19 11 57 1 20 12 10 2 21 13 10 1 22 14 13 1 23 14 58 1 24 14 59 1 25 15 14 1 26 15 16 1 27 15 60 1 28 16 17 1 29 17 21 1 30 17 61 1 31 18 17 1 32 18 62 1 33 18 63 1 34 19 15 1 35 19 18 1 36 19 64 1 37 20 19 1 38 20 65 1 39 21 28 am 40 21 22 1 41 22 23 1 42 22 66 1 43 22 67 1 44 23 25 1 45 23 24 1 46 23 68 1 47 24 69 1 48 24 70 1 49 24 71 1 50 25 26 2 51 27 25 am 52 27 72 1 53 28 27 am 54 29 28 2 55 30 32 1 56 30 73 1 57 31 30 1 58 31 74 1 59 32 34 1 60 32 33 1 61 32 75 1 62 33 76 1 63 34 35 1 64 34 77 1 65 35 36 2 66 36 37 1 67 36 78 1 68 37 49 1 69 37 38 1 70 37 79 1 71 38 45 1 72 38 80 1 73 39 38 1 74 39 81 1 75 39 82 1 76 40 39 1 77 41 42 1 78 41 40 1 79 41 44 1 80 42 83 1 81 43 41 2 82 44 84 1 83 45 46 1 84 45 85 1 85 45 86 1 86 46 87 1 87 47 48 1 88 47 46 1 89 47 88 1 90 48 89 1 91 48 90 1 92 48 91 1 93 49 47 1 94 49 92 1 95 50 49 1 96 50 93 1