@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate 58 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.8034 -2.0824 -0.6784 P.3 1 UNL1 0.3582 2 P 4.4734 0.4302 -0.2393 P.3 1 UNL1 0.3598 3 F -2.9536 -3.0485 -2.1598 F 1 UNL1 -0.0923 4 O -0.5971 0.2026 1.3315 O.3 1 UNL1 -0.4857 5 O -1.7540 -1.7022 3.9239 O.3 1 UNL1 -0.5230 6 O 0.6489 -2.1780 3.1190 O.3 1 UNL1 -0.5804 7 O 1.6102 3.7016 0.4242 O.3 1 UNL1 -0.3874 8 O 1.5424 -1.1387 -0.9984 O.3 1 UNL1 -0.3228 9 O -0.9636 1.6581 -0.8994 O.3 1 UNL1 -0.5929 10 O -1.8102 3.7459 0.4124 O.3 1 UNL1 -0.5597 11 O 3.3568 1.5128 0.0469 O.3 1 UNL1 -0.1694 12 O 3.8583 -1.0306 -0.1494 O.3 1 UNL1 -0.1882 13 O 3.2370 -2.5312 -2.1364 O.3 1 UNL1 -0.3018 14 O 2.7232 -3.1802 0.2684 O.2 1 UNL1 -0.2318 15 O 4.8311 0.6638 -1.7792 O.3 1 UNL1 -0.4086 16 O 5.5220 0.4578 0.7635 O.2 1 UNL1 -0.1952 17 N -2.8851 0.1569 1.3032 N.ar 1 UNL1 -0.3790 18 N -4.5872 1.3766 0.3936 N.ar 1 UNL1 -0.3171 19 N -2.7629 -1.6356 -0.4165 N.ar 1 UNL1 -0.5410 20 N -4.3931 -1.3183 -2.2207 N.ar 1 UNL1 -0.5742 21 N -5.8932 0.4692 -2.2901 N.pl3 1 UNL1 -0.5277 22 C -1.5978 -1.6256 2.5412 C.3 1 UNL1 0.0835 23 C -0.2127 -2.0691 2.0065 C.3 1 UNL1 0.0716 24 C -1.7172 -0.1272 2.1235 C.3 1 UNL1 0.2586 25 C 0.2703 -0.9171 1.1047 C.3 1 UNL1 0.0497 26 C 0.2614 -1.2750 -0.3873 C.3 1 UNL1 -0.0430 27 C -0.0341 2.6974 -0.9576 C.3 1 UNL1 0.0653 28 C 1.2459 2.4399 -0.1288 C.3 1 UNL1 0.0194 29 C -0.6393 3.9895 -0.3271 C.3 1 UNL1 0.0664 30 C -3.2577 -0.4953 0.1363 C.ar 1 UNL1 0.3112 31 C 0.4341 4.4651 0.6664 C.3 1 UNL1 -0.0863 32 C -3.7210 1.3113 1.3965 C.ar 1 UNL1 0.1359 33 C 2.4427 1.9871 -0.9759 C.3 1 UNL1 -0.0552 34 C -4.3322 0.2759 -0.4226 C.ar 1 UNL1 -0.2165 35 C -4.8900 -0.1740 -1.6494 C.ar 1 UNL1 0.4848 36 C -3.3909 -1.9563 -1.5725 C.ar 1 UNL1 0.5451 37 H -2.4275 -2.2488 2.1338 H 1 UNL1 0.1785 38 H -0.2585 -3.0537 1.4947 H 1 UNL1 0.1577 39 H -1.6942 0.5690 3.0007 H 1 UNL1 0.1737 40 H 1.2517 -0.5048 1.4562 H 1 UNL1 0.1918 41 H -0.2996 -0.5157 -0.9887 H 1 UNL1 0.1689 42 H -0.2118 -2.2580 -0.5900 H 1 UNL1 0.1544 43 H 0.1540 2.8129 -2.0441 H 1 UNL1 0.1478 44 H 1.0583 1.7410 0.7201 H 1 UNL1 0.1653 45 H -0.9094 4.7462 -1.0882 H 1 UNL1 0.1354 46 H 0.7497 5.5085 0.5241 H 1 UNL1 0.1411 47 H 0.1187 4.3061 1.7129 H 1 UNL1 0.1489 48 H -0.8768 -1.7351 4.3803 H 1 UNL1 0.3485 49 H 1.5364 -2.4859 2.8181 H 1 UNL1 0.3577 50 H -3.6366 2.0101 2.2183 H 1 UNL1 0.2098 51 H 2.9276 2.8483 -1.4817 H 1 UNL1 0.1464 52 H 2.1194 1.2414 -1.7295 H 1 UNL1 0.1535 53 H -0.9099 1.1409 -0.0594 H 1 UNL1 0.3550 54 H -2.2319 2.9035 0.1292 H 1 UNL1 0.3366 55 H 3.1568 -1.7244 -2.7705 H 1 UNL1 0.3144 56 H -6.2676 1.3198 -1.9083 H 1 UNL1 0.3331 57 H -6.2413 0.1315 -3.1683 H 1 UNL1 0.3268 58 H 5.7182 0.2081 -1.9911 H 1 UNL1 0.3244 @BOND 1 57 21 1 2 55 13 1 3 21 56 1 4 21 35 1 5 20 35 ar 6 20 36 ar 7 3 36 1 8 13 1 1 9 43 27 1 10 58 15 1 11 15 2 1 12 52 33 1 13 35 34 ar 14 36 19 ar 15 51 33 1 16 45 29 1 17 8 1 1 18 8 26 1 19 41 26 1 20 33 28 1 21 33 11 1 22 27 9 1 23 27 29 1 24 27 28 1 25 9 53 1 26 1 12 1 27 1 14 2 28 42 26 1 29 34 30 ar 30 34 18 ar 31 19 30 ar 32 26 25 1 33 29 10 1 34 29 31 1 35 2 12 1 36 2 11 1 37 2 16 2 38 28 7 1 39 28 44 1 40 54 10 1 41 30 17 ar 42 18 32 ar 43 7 31 1 44 46 31 1 45 31 47 1 46 25 4 1 47 25 40 1 48 25 23 1 49 17 32 ar 50 17 24 1 51 4 24 1 52 32 50 1 53 38 23 1 54 23 22 1 55 23 6 1 56 24 22 1 57 24 39 1 58 37 22 1 59 22 5 1 60 49 6 1 61 5 48 1