@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3r,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-4-fluoro-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phosphate 62 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.6092 -0.0559 -0.9246 C.3 1 UNL1 0.2450 2 C -2.8260 -0.8985 0.2957 C.3 1 UNL1 0.0733 3 C -3.9327 0.7104 -1.1711 C.3 1 UNL1 0.2742 4 C -2.7362 0.5835 -0.1832 C.3 1 UNL1 -0.0168 5 C -3.5619 -1.5985 -0.8721 C.3 1 UNL1 0.0194 6 C 3.8922 -1.5005 -0.4085 C.3 1 UNL1 0.0371 7 C 1.5534 -0.8514 -0.1412 C.3 1 UNL1 0.0242 8 C 2.4892 -2.0823 -0.1281 C.3 1 UNL1 0.0943 9 C 4.1730 2.1341 0.3502 C.ar 1 UNL1 0.1589 10 C 8.0019 0.0912 -0.6684 C.ar 1 UNL1 0.3111 11 C 1.0017 -0.4918 1.2462 C.3 1 UNL1 -0.0435 12 C -4.5595 -2.6682 -0.4279 C.3 1 UNL1 -0.0365 13 H 5.4307 -1.8564 -1.5603 H 1 UNL1 0.3700 14 H 2.5597 -2.9486 -1.9130 H 1 UNL1 0.3549 15 H -5.6192 -2.4422 -2.0798 H 1 UNL1 0.3226 16 H -6.3302 4.3857 -0.0383 H 1 UNL1 0.3479 17 H 9.3626 3.2908 1.0647 H 1 UNL1 0.3255 18 H 7.8053 3.9652 1.4031 H 1 UNL1 0.3302 19 C 7.7654 2.1559 0.4384 C.ar 1 UNL1 0.4699 20 O -1.8102 -2.5681 2.6843 O.2 1 UNL1 -0.2087 21 O -4.2732 3.3889 -1.1155 O.2 1 UNL1 -0.5033 22 O -8.2219 3.3018 1.1161 O.2 1 UNL1 -0.4644 23 O 4.5128 -2.2324 -1.4270 O.3 1 UNL1 -0.5491 24 O 2.0317 -2.9990 -1.0828 O.3 1 UNL1 -0.5599 25 O -0.5549 -3.6216 0.7507 O.3 1 UNL1 -0.2901 26 O -5.2638 -3.1796 -1.5368 O.3 1 UNL1 -0.5270 27 O -1.4932 -1.3679 0.3330 O.3 1 UNL1 -0.3346 28 O 0.4162 -1.6066 1.9220 O.3 1 UNL1 -0.2626 29 C -5.1621 2.7631 -0.5796 C.ar 1 UNL1 0.6986 30 C -7.3274 2.6454 0.6422 C.ar 1 UNL1 0.6204 31 H 0.1485 -3.3931 0.0250 H 1 UNL1 0.3359 32 O -4.3195 -0.5847 -1.5520 O.3 1 UNL1 -0.4401 33 O 2.2972 0.2989 -0.5637 O.3 1 UNL1 -0.4208 34 N 8.3633 3.2241 1.0207 N.pl3 1 UNL1 -0.5416 35 C -6.1102 0.6008 0.0645 C.ar 1 UNL1 0.1719 36 C -7.1828 1.2024 0.6326 C.ar 1 UNL1 -0.4333 37 F -1.5959 0.7595 -0.8803 F 1 UNL1 -0.1653 38 N 5.2661 2.7889 0.7353 N.ar 1 UNL1 -0.3414 39 N 6.6808 -0.1514 -0.8212 N.ar 1 UNL1 -0.5557 40 N 8.5650 1.1711 -0.0783 N.ar 1 UNL1 -0.5673 41 P -0.9657 -2.3134 1.5355 P.3 1 UNL1 0.3493 42 N -5.0894 1.3461 -0.4986 N.ar 1 UNL1 -0.5099 43 N -6.2687 3.3644 0.0065 N.ar 1 UNL1 -0.6208 44 C 5.8837 0.8261 -0.3115 C.ar 1 UNL1 0.2718 45 C 6.3548 2.0127 0.3411 C.ar 1 UNL1 -0.1936 46 N 4.4997 0.9126 -0.2930 N.ar 1 UNL1 -0.3831 47 H 3.6818 0.0329 -2.0405 H 1 UNL1 0.1707 48 H -3.4044 -0.9539 1.2481 H 1 UNL1 0.1534 49 H -3.7042 1.2618 -2.1226 H 1 UNL1 0.1926 50 H -2.7700 1.3188 0.6557 H 1 UNL1 0.1679 51 H -2.8552 -1.9929 -1.6396 H 1 UNL1 0.1764 52 H 4.5340 -1.5127 0.4990 H 1 UNL1 0.1553 53 H 0.7550 -0.9516 -0.9157 H 1 UNL1 0.1791 54 H 2.4588 -2.6579 0.8261 H 1 UNL1 0.1735 55 H 3.1468 2.4493 0.4841 H 1 UNL1 0.2120 56 H 1.8250 -0.2707 1.9671 H 1 UNL1 0.1506 57 H 0.3435 0.3982 1.1927 H 1 UNL1 0.1505 58 H -5.9962 -0.4933 0.0262 H 1 UNL1 0.1842 59 H -4.0424 -3.5619 -0.0179 H 1 UNL1 0.1711 60 H -5.2868 -2.2998 0.3171 H 1 UNL1 0.1181 61 H 8.7000 -0.6679 -1.0655 H 1 UNL1 0.2030 62 H -7.9893 0.6398 1.0989 H 1 UNL1 0.2050 @BOND 1 49 3 1 2 15 26 1 3 47 1 1 4 14 24 1 5 51 5 1 6 13 23 1 7 32 3 1 8 32 5 1 9 26 12 1 10 23 6 1 11 3 42 1 12 3 4 1 13 21 29 2 14 24 8 1 15 61 10 1 16 1 33 1 17 1 6 1 18 1 46 1 19 53 7 1 20 37 4 1 21 5 12 1 22 5 2 1 23 39 10 ar 24 39 44 ar 25 10 40 ar 26 29 42 ar 27 29 43 ar 28 33 7 1 29 42 35 ar 30 12 59 1 31 12 60 1 32 6 8 1 33 6 52 1 34 44 46 ar 35 44 45 ar 36 46 9 ar 37 4 2 1 38 4 50 1 39 7 8 1 40 7 11 1 41 8 54 1 42 40 19 ar 43 16 43 1 44 43 30 ar 45 31 25 1 46 58 35 1 47 35 36 ar 48 2 27 1 49 2 48 1 50 27 41 1 51 45 19 ar 52 45 38 ar 53 9 55 1 54 9 38 ar 55 19 34 1 56 36 30 ar 57 36 62 1 58 30 22 2 59 25 41 1 60 34 17 1 61 34 18 1 62 57 11 1 63 11 28 1 64 11 56 1 65 41 28 1 66 41 20 2