@MOLECULE (2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydro-3-furanyl [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl hydrogen phosphate 64 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 4.0533 0.5965 0.4753 P.3 1 UNL1 0.3452 2 F 2.1427 -0.7297 -2.0608 F 1 UNL1 -0.1537 3 O 1.5959 -3.5048 -0.7547 O.3 1 UNL1 -0.4100 4 O 0.3763 2.2115 -0.7158 O.3 1 UNL1 -0.4274 5 O 3.7542 -0.8788 -0.1064 O.3 1 UNL1 -0.2395 6 O 2.8462 1.3903 -0.2101 O.3 1 UNL1 -0.2041 7 O 0.7301 5.2630 -1.5549 O.3 1 UNL1 -0.5403 8 O -1.4227 5.1469 -0.0138 O.3 1 UNL1 -0.5633 9 O 3.6816 -4.9834 0.8492 O.3 1 UNL1 -0.5274 10 O 5.2723 0.9767 -0.4708 O.3 1 UNL1 -0.2834 11 O 4.2515 0.7013 1.9095 O.2 1 UNL1 -0.3292 12 O -3.2815 3.2678 0.5763 O.2 1 UNL1 -0.5527 13 O -4.9087 -2.2677 0.8368 O.2 1 UNL1 -0.4148 14 N -0.4917 -2.5712 -0.5207 N.ar 1 UNL1 -0.3772 15 N -1.4402 1.9551 0.7252 N.ar 1 UNL1 -0.5316 16 N -2.1316 -1.5533 -2.1272 N.ar 1 UNL1 -0.5275 17 N -1.9381 -2.9665 1.1804 N.ar 1 UNL1 -0.3128 18 N -3.5332 1.2618 1.7053 N.ar 1 UNL1 -0.6031 19 N -4.4069 -1.5649 -1.2737 N.ar 1 UNL1 -0.5991 20 N -3.9646 -0.8870 -3.4751 N.pl3 1 UNL1 -0.5955 21 N -3.6445 -0.7640 2.8313 N.pl3 1 UNL1 -0.5318 22 C 2.4891 -1.4786 0.1511 C.3 1 UNL1 0.0541 23 C 1.4656 -1.1139 -0.9622 C.3 1 UNL1 -0.0254 24 C 2.7639 -2.9781 -0.1091 C.3 1 UNL1 0.0232 25 C 0.7713 -2.4804 -1.2554 C.3 1 UNL1 0.2493 26 C 1.4548 3.1504 -0.7269 C.3 1 UNL1 0.0551 27 C 0.8892 4.5487 -0.3605 C.3 1 UNL1 0.0827 28 C -0.4470 4.2080 0.3392 C.3 1 UNL1 0.0324 29 C -0.8130 2.8231 -0.2710 C.3 1 UNL1 0.2383 30 C 2.4920 2.6960 0.3113 C.3 1 UNL1 -0.0803 31 C 3.0019 -3.7908 1.1614 C.3 1 UNL1 -0.0300 32 C -1.7497 -2.1669 -0.9484 C.ar 1 UNL1 0.2302 33 C -0.6651 -3.0638 0.7976 C.ar 1 UNL1 0.1062 34 C -2.6414 -2.4241 0.1190 C.ar 1 UNL1 -0.1816 35 C -0.7709 0.9272 1.3283 C.ar 1 UNL1 0.1738 36 C -2.8555 2.2171 1.0149 C.ar 1 UNL1 0.7342 37 C -4.0699 -2.1189 -0.0117 C.ar 1 UNL1 0.6311 38 C -1.4560 0.0349 2.1079 C.ar 1 UNL1 -0.4656 39 C -3.5437 -1.3400 -2.2262 C.ar 1 UNL1 0.5847 40 C -2.8870 0.1805 2.1986 C.ar 1 UNL1 0.4974 41 H 2.0581 -1.3043 1.1634 H 1 UNL1 0.1517 42 H 0.7508 -0.3011 -0.6725 H 1 UNL1 0.1794 43 H 3.5977 -3.1259 -0.8393 H 1 UNL1 0.1809 44 H 0.6089 -2.7120 -2.3354 H 1 UNL1 0.1644 45 H 1.8441 3.1033 -1.7690 H 1 UNL1 0.1817 46 H 1.5711 5.1580 0.2658 H 1 UNL1 0.1499 47 H -0.3560 4.1889 1.4448 H 1 UNL1 0.1499 48 H -1.4861 2.9163 -1.1646 H 1 UNL1 0.1694 49 H 2.0443 2.6167 1.3232 H 1 UNL1 0.1423 50 H 3.3409 3.4100 0.3401 H 1 UNL1 0.1471 51 H 2.0697 -4.0243 1.7036 H 1 UNL1 0.1254 52 H 3.7132 -3.2679 1.8384 H 1 UNL1 0.1681 53 H 0.1500 -3.4786 1.3655 H 1 UNL1 0.1995 54 H -0.2083 5.5533 -1.6521 H 1 UNL1 0.3526 55 H -2.3200 4.7370 0.1799 H 1 UNL1 0.3806 56 H 0.3126 0.8542 1.1618 H 1 UNL1 0.1817 57 H -1.5389 -1.5651 -2.9432 H 1 UNL1 0.3293 58 H 3.1174 -5.5646 0.2947 H 1 UNL1 0.3209 59 H 6.1032 0.4705 -0.1198 H 1 UNL1 0.3169 60 H -0.9590 -0.7673 2.6373 H 1 UNL1 0.1940 61 H -3.3773 -0.2393 -3.9683 H 1 UNL1 0.2998 62 H -4.9568 -0.6759 -3.5418 H 1 UNL1 0.3272 63 H -4.6532 -0.7075 2.7451 H 1 UNL1 0.3284 64 H -3.2756 -1.7069 2.8875 H 1 UNL1 0.3282 @BOND 1 61 20 1 2 62 20 1 3 20 39 1 4 57 16 1 5 44 25 1 6 39 16 ar 7 39 19 ar 8 16 32 ar 9 2 23 1 10 45 26 1 11 54 7 1 12 7 27 1 13 19 37 ar 14 25 23 1 15 25 3 1 16 25 14 1 17 48 29 1 18 23 42 1 19 23 22 1 20 32 14 ar 21 32 34 ar 22 43 24 1 23 3 24 1 24 26 4 1 25 26 27 1 26 26 30 1 27 4 29 1 28 14 33 ar 29 10 59 1 30 10 1 1 31 27 46 1 32 27 28 1 33 29 28 1 34 29 15 1 35 6 30 1 36 6 1 1 37 24 22 1 38 24 31 1 39 5 22 1 40 5 1 1 41 8 55 1 42 8 28 1 43 37 34 ar 44 37 13 2 45 34 17 ar 46 22 41 1 47 58 9 1 48 30 50 1 49 30 49 1 50 28 47 1 51 1 11 2 52 12 36 2 53 15 36 ar 54 15 35 ar 55 33 17 ar 56 33 53 1 57 9 31 1 58 36 18 ar 59 31 51 1 60 31 52 1 61 56 35 1 62 35 38 ar 63 18 40 ar 64 38 40 ar 65 38 60 1 66 40 21 1 67 63 21 1 68 21 64 1