@MOLECULE [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3r,4s,5r,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate 59 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -3.1600 0.5511 0.2443 N.ar 1 UNL1 -0.5064 2 C -4.4609 0.0069 0.1359 C.ar 1 UNL1 0.7117 3 N -5.4514 0.5976 0.9037 N.ar 1 UNL1 -0.6185 4 C -5.2172 1.6905 1.8020 C.ar 1 UNL1 0.6238 5 C -3.8431 2.1416 1.8754 C.ar 1 UNL1 -0.4474 6 C -2.8642 1.5753 1.1277 C.ar 1 UNL1 0.1871 7 O -4.6694 -0.9264 -0.6183 O.2 1 UNL1 -0.5615 8 O -6.1790 2.1101 2.3964 O.2 1 UNL1 -0.4653 9 C -2.1047 -0.1060 -0.5632 C.3 1 UNL1 0.2455 10 C -2.4439 -0.0952 -2.0852 C.3 1 UNL1 0.0387 11 O -2.4294 -1.4114 -2.5611 O.3 1 UNL1 -0.5412 12 C -1.2518 0.6566 -2.7266 C.3 1 UNL1 0.0704 13 C -0.6553 1.4365 -1.5350 C.3 1 UNL1 0.0566 14 O -0.9141 0.6098 -0.3869 O.3 1 UNL1 -0.3990 15 O -1.7135 1.6300 -3.6272 O.3 1 UNL1 -0.5486 16 C 0.8649 1.6083 -1.5943 C.3 1 UNL1 -0.0536 17 O 1.0589 2.4586 -0.4411 O.3 1 UNL1 -0.2023 18 P 2.4791 2.9113 0.0889 P.3 1 UNL1 0.3724 19 O 2.3396 3.9840 1.0533 O.2 1 UNL1 -0.1886 20 O 3.3031 3.1545 -1.2594 O.3 1 UNL1 -0.3987 21 O 3.2630 1.7358 0.7844 O.3 1 UNL1 -0.2322 22 P 3.7837 0.2554 0.8978 P.3 1 UNL1 0.3726 23 O 3.9477 -0.3085 -0.5832 O.3 1 UNL1 -0.3692 24 O 4.8970 0.2512 1.8230 O.2 1 UNL1 -0.1693 25 O 2.5956 -0.6082 1.5115 O.3 1 UNL1 -0.2003 26 C 1.6037 -1.2536 0.7458 C.3 1 UNL1 0.2804 27 C 0.8365 -2.0532 1.8423 C.3 1 UNL1 -0.0467 28 C -0.1027 -3.0697 1.1761 C.3 1 UNL1 0.0499 29 C 0.6531 -3.9408 0.1514 C.3 1 UNL1 0.0434 30 C 1.5096 -3.0937 -0.8090 C.3 1 UNL1 0.0379 31 C 0.6829 -2.3819 -1.8871 C.3 1 UNL1 -0.0362 32 F 0.0894 -1.1789 2.5518 F 1 UNL1 -0.1774 33 O -0.7018 -3.9116 2.1266 O.3 1 UNL1 -0.5347 34 O -0.2786 -4.6049 -0.6732 O.3 1 UNL1 -0.5448 35 O 2.2933 -2.1795 -0.0832 O.3 1 UNL1 -0.4287 36 O 1.5071 -1.5039 -2.6278 O.3 1 UNL1 -0.5736 37 H -1.8054 1.8915 1.1808 H 1 UNL1 0.2096 38 H -1.9159 -1.1317 -0.1568 H 1 UNL1 0.1648 39 H -6.4006 0.2230 0.8276 H 1 UNL1 0.3470 40 H -3.6444 2.9549 2.5715 H 1 UNL1 0.2078 41 H -3.4128 0.3911 -2.3248 H 1 UNL1 0.1628 42 H -3.2601 -1.8692 -2.2685 H 1 UNL1 0.3512 43 H -0.5352 -0.0332 -3.2257 H 1 UNL1 0.1737 44 H -1.1731 2.4112 -1.3796 H 1 UNL1 0.1661 45 H -2.0148 1.2124 -4.4628 H 1 UNL1 0.3335 46 H 1.1561 2.1188 -2.5366 H 1 UNL1 0.1499 47 H 1.3882 0.6345 -1.5347 H 1 UNL1 0.1544 48 H 4.1388 3.6993 -1.0442 H 1 UNL1 0.3238 49 H 4.6161 0.2815 -1.0883 H 1 UNL1 0.3205 50 H 0.9557 -0.5787 0.1436 H 1 UNL1 0.1564 51 H 1.5650 -2.5509 2.5375 H 1 UNL1 0.1649 52 H -0.9945 -2.5870 0.7034 H 1 UNL1 0.1677 53 H 1.2737 -4.7086 0.6651 H 1 UNL1 0.1364 54 H -0.0569 -4.2495 2.7819 H 1 UNL1 0.3191 55 H 2.3050 -3.7201 -1.2865 H 1 UNL1 0.1675 56 H -0.9669 -5.0397 -0.1171 H 1 UNL1 0.3380 57 H -0.1553 -1.7911 -1.4792 H 1 UNL1 0.1328 58 H 0.2811 -3.0943 -2.6344 H 1 UNL1 0.1642 59 H 2.2387 -1.1657 -2.0575 H 1 UNL1 0.3414 @BOND 1 45 15 1 2 15 12 1 3 43 12 1 4 12 10 1 5 12 13 1 6 58 31 1 7 36 59 1 8 36 31 1 9 11 42 1 10 11 10 1 11 46 16 1 12 41 10 1 13 10 9 1 14 31 57 1 15 31 30 1 16 16 13 1 17 16 47 1 18 16 17 1 19 13 44 1 20 13 14 1 21 55 30 1 22 20 48 1 23 20 18 1 24 49 23 1 25 30 35 1 26 30 29 1 27 34 56 1 28 34 29 1 29 7 2 2 30 23 22 1 31 9 14 1 32 9 38 1 33 9 1 1 34 17 18 1 35 35 26 1 36 18 21 1 37 18 19 2 38 2 1 ar 39 2 3 ar 40 50 26 1 41 29 53 1 42 29 28 1 43 1 6 ar 44 52 28 1 45 26 25 1 46 26 27 1 47 21 22 1 48 39 3 1 49 22 25 1 50 22 24 2 51 3 4 ar 52 6 37 1 53 6 5 ar 54 28 27 1 55 28 33 1 56 4 5 ar 57 4 8 2 58 27 51 1 59 27 32 1 60 5 40 1 61 33 54 1