@MOLECULE (2r,3r,4s,5s,6r)-3,5-dihydroxy-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate 85 88 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.3502 -6.4271 -0.4395 O.3 1 UNL1 -0.3483 2 P 3.2003 -5.3185 -0.4286 P.3 1 UNL1 0.3616 3 O 2.3236 -5.7967 -1.6607 O.3 1 UNL1 -0.2858 4 O 2.4219 -5.1154 0.7754 O.2 1 UNL1 -0.2467 5 O 4.0722 -4.1051 -1.0252 O.3 1 UNL1 -0.3426 6 C 3.7455 -2.7285 -0.7692 C.3 1 UNL1 -0.0005 7 C 5.0376 -2.0580 -0.3904 C.ar 1 UNL1 -0.0535 8 C 5.0417 -0.7397 0.1117 C.ar 1 UNL1 -0.2022 9 C 3.8006 0.0438 0.1745 C.2 1 UNL1 0.1319 10 C 6.2764 -0.1995 0.4850 C.ar 1 UNL1 0.2396 11 O 6.4640 1.0113 1.0283 O.3 1 UNL1 -0.4637 12 C 7.4802 -0.9468 0.2862 C.ar 1 UNL1 0.1232 13 C 8.7941 -0.3379 0.6292 C.3 1 UNL1 -0.4284 14 N 7.4438 -2.1796 -0.2125 N.ar 1 UNL1 -0.3409 15 C 6.2493 -2.7282 -0.5407 C.ar 1 UNL1 -0.0175 16 O -8.3813 -2.1653 2.9916 O.2 1 UNL1 -0.4689 17 C -7.4434 -2.3336 2.2507 C.ar 1 UNL1 0.6017 18 N -7.2130 -1.3407 1.2603 N.ar 1 UNL1 -0.6333 19 C -6.1822 -1.3869 0.3168 C.ar 1 UNL1 0.7151 20 O -6.0450 -0.4882 -0.4880 O.2 1 UNL1 -0.5343 21 C -6.4954 -3.4437 2.2422 C.ar 1 UNL1 -0.2226 22 C -6.6794 -4.4820 3.2847 C.3 1 UNL1 -0.4080 23 C -5.4980 -3.4915 1.3267 C.ar 1 UNL1 0.1040 24 N -5.3555 -2.5266 0.3330 N.ar 1 UNL1 -0.4932 25 C -4.1844 -2.6166 -0.5784 C.3 1 UNL1 0.3249 26 O -3.2010 -1.7366 -0.0967 O.3 1 UNL1 -0.4373 27 C -4.5178 -2.2451 -2.0250 C.3 1 UNL1 -0.3649 28 C -3.8625 -0.8693 -2.2393 C.3 1 UNL1 0.1465 29 O -3.0668 -1.0043 -3.3966 O.3 1 UNL1 -0.5777 30 C -2.9546 -0.6559 -1.0047 C.3 1 UNL1 0.0303 31 C -3.2184 0.6315 -0.2086 C.3 1 UNL1 -0.0463 32 O -2.3026 1.6739 -0.5768 O.3 1 UNL1 -0.3101 33 P -2.5207 2.6093 -1.8580 P.3 1 UNL1 0.3739 34 O -3.9890 3.2022 -1.7647 O.3 1 UNL1 -0.3364 35 O -2.2379 2.0677 -3.1742 O.2 1 UNL1 -0.2266 36 O -1.5266 3.8129 -1.5950 O.3 1 UNL1 -0.1272 37 P -0.7554 4.6991 -0.5374 P.3 1 UNL1 0.3914 38 O -1.5974 4.7660 0.8028 O.3 1 UNL1 -0.3255 39 O -0.4758 5.9673 -1.1721 O.2 1 UNL1 -0.1750 40 O 0.4501 3.7103 -0.1422 O.3 1 UNL1 -0.3867 41 O 2.3395 1.9890 3.3899 O.3 1 UNL1 -0.5617 42 C 2.7604 2.7844 2.3014 C.3 1 UNL1 0.0880 43 C 1.7922 3.9868 2.3079 C.3 1 UNL1 0.1268 44 O 2.0568 4.7671 1.1475 O.3 1 UNL1 -0.4312 45 C 2.0728 4.9367 3.4638 C.3 1 UNL1 -0.4626 46 C 2.5989 1.9581 1.0007 C.3 1 UNL1 -0.0674 47 N 3.7476 1.0650 0.9591 N.2 1 UNL1 -0.4843 48 C 2.6342 2.8649 -0.2543 C.3 1 UNL1 0.0619 49 O 2.2128 2.1106 -1.3567 O.3 1 UNL1 -0.5496 50 C 1.7943 4.1631 -0.0808 C.3 1 UNL1 0.3033 51 H 5.0908 -6.1343 0.2048 H 1 UNL1 0.3230 52 H 2.9456 -5.9708 -2.4637 H 1 UNL1 0.3124 53 H 3.3771 -2.3463 -1.7513 H 1 UNL1 0.1453 54 H 2.9661 -2.5489 0.0040 H 1 UNL1 0.1506 55 H 2.9839 -0.2727 -0.4958 H 1 UNL1 0.1571 56 H 5.5869 1.4696 1.2399 H 1 UNL1 0.3734 57 H 8.7936 0.0629 1.6550 H 1 UNL1 0.1694 58 H 9.6196 -1.0621 0.5456 H 1 UNL1 0.1719 59 H 9.0222 0.5052 -0.0423 H 1 UNL1 0.1677 60 H 6.3116 -3.7455 -0.9473 H 1 UNL1 0.1919 61 H -7.8437 -0.5349 1.2247 H 1 UNL1 0.3454 62 H -7.7459 -4.6137 3.5408 H 1 UNL1 0.1768 63 H -6.2973 -5.4657 2.9825 H 1 UNL1 0.1514 64 H -6.1714 -4.2012 4.2220 H 1 UNL1 0.1644 65 H -4.7634 -4.3081 1.3110 H 1 UNL1 0.1768 66 H -3.7347 -3.6363 -0.4658 H 1 UNL1 0.1455 67 H -4.0894 -2.9786 -2.7380 H 1 UNL1 0.1818 68 H -5.6009 -2.2158 -2.2328 H 1 UNL1 0.1792 69 H -4.6127 -0.0653 -2.3967 H 1 UNL1 0.1576 70 H -2.7076 -0.1287 -3.6666 H 1 UNL1 0.3444 71 H -1.8773 -0.7666 -1.2709 H 1 UNL1 0.1664 72 H -4.2871 0.9231 -0.2256 H 1 UNL1 0.1544 73 H -2.9117 0.4886 0.8558 H 1 UNL1 0.1507 74 H -4.1035 3.7278 -0.8925 H 1 UNL1 0.3195 75 H -1.4467 3.8972 1.3362 H 1 UNL1 0.3228 76 H 2.9431 1.2240 3.5048 H 1 UNL1 0.3330 77 H 3.8136 3.0986 2.4593 H 1 UNL1 0.1397 78 H 0.7389 3.6355 2.3154 H 1 UNL1 0.1395 79 H 3.0378 5.4453 3.3448 H 1 UNL1 0.1590 80 H 1.3044 5.7171 3.5279 H 1 UNL1 0.1576 81 H 2.0941 4.3902 4.4160 H 1 UNL1 0.1655 82 H 1.6202 1.4105 1.0341 H 1 UNL1 0.1704 83 H 3.6847 3.1410 -0.5163 H 1 UNL1 0.1615 84 H 1.2271 2.0914 -1.4190 H 1 UNL1 0.3512 85 H 2.0914 4.9527 -0.8130 H 1 UNL1 0.1597 @BOND 1 70 29 1 2 29 28 1 3 35 33 2 4 67 27 1 5 52 3 1 6 69 28 1 7 28 27 1 8 28 30 1 9 68 27 1 10 27 25 1 11 33 34 1 12 33 36 1 13 33 32 1 14 34 74 1 15 53 6 1 16 3 2 1 17 36 37 1 18 84 49 1 19 49 48 1 20 71 30 1 21 39 37 2 22 5 6 1 23 5 2 1 24 30 31 1 25 30 26 1 26 60 15 1 27 85 50 1 28 6 7 1 29 6 54 1 30 25 66 1 31 25 26 1 32 25 24 1 33 32 31 1 34 15 7 ar 35 15 14 ar 36 37 40 1 37 37 38 1 38 83 48 1 39 55 9 1 40 20 19 2 41 1 2 1 42 1 51 1 43 2 4 2 44 7 8 ar 45 48 50 1 46 48 46 1 47 72 31 1 48 14 12 ar 49 31 73 1 50 40 50 1 51 50 44 1 52 59 13 1 53 8 9 1 54 8 10 ar 55 9 47 2 56 12 10 ar 57 12 13 1 58 19 24 ar 59 19 18 ar 60 24 23 ar 61 10 11 1 62 58 13 1 63 13 57 1 64 38 75 1 65 47 46 1 66 46 82 1 67 46 42 1 68 11 56 1 69 44 43 1 70 61 18 1 71 18 17 ar 72 65 23 1 73 23 21 ar 74 21 17 ar 75 21 22 1 76 17 16 2 77 42 43 1 78 42 77 1 79 42 41 1 80 43 78 1 81 43 45 1 82 63 22 1 83 22 62 1 84 22 64 1 85 79 45 1 86 41 76 1 87 45 80 1 88 45 81 1