@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopentadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate 64 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 7.2220 -1.1709 1.3422 S.3 1 UNL1 0.9308 2 C 6.2064 -0.0358 0.7450 C.1 1 UNL1 -0.5193 3 C 5.3830 0.8026 0.4074 C.1 1 UNL1 0.2988 4 N 4.4869 1.7158 0.0291 N.am 1 UNL1 -0.3485 5 C 4.3353 2.9362 0.8121 C.2 1 UNL1 0.6876 6 O 5.2017 3.1301 1.6304 O.2 1 UNL1 -0.4601 7 C 3.2595 3.7658 0.4834 C.1 1 UNL1 -0.3961 8 C 2.3487 4.5650 0.3050 C.1 1 UNL1 0.4086 9 N 1.5288 5.5638 0.1074 N.2 1 UNL1 -0.4895 10 C 0.3311 5.6844 -0.2801 C.1 1 UNL1 0.7188 11 O -0.6409 6.2068 -0.6372 O.2 1 UNL1 -0.2150 12 C 7.2562 -2.4353 0.6361 C.3 1 UNL1 -0.6833 13 C 3.3803 1.6638 -2.0891 C.1 1 UNL1 0.5965 14 O 3.4170 1.9921 -3.1881 O.2 1 UNL1 -0.1368 15 C 2.4041 0.4650 -0.2668 C.1 1 UNL1 0.1676 16 C 0.3656 1.2414 2.2631 C.3 1 UNL1 0.5657 17 C 3.4247 1.2483 -0.8016 C.2 1 UNL1 -0.2144 18 C 1.5204 -0.2110 0.2219 C.1 1 UNL1 -0.2718 19 N 1.5536 -3.0990 -2.1753 N.1 1 UNL1 -0.2993 20 O 0.2379 3.9000 -2.8770 O.2 1 UNL1 -0.2138 21 P 0.2416 2.8104 -1.9186 P.3 1 UNL1 0.2895 22 C 7.2383 -3.6307 -0.0635 C.2 1 UNL1 0.5486 23 O 8.1081 -4.1295 -0.7477 O.2 1 UNL1 -0.4366 24 C -3.0884 -1.1289 -0.2507 C.2 1 UNL1 0.0125 25 C 0.6245 -2.6447 -1.6423 C.1 1 UNL1 0.2593 26 O 0.9640 1.5466 -1.9835 O.3 1 UNL1 -0.3538 27 P -1.0731 3.0712 0.8763 P.3 1 UNL1 0.2809 28 C 5.9375 -4.2939 0.0518 C.1 1 UNL1 0.1000 29 C -4.1331 -1.7379 0.3288 C.1 1 UNL1 0.4963 30 O -4.9862 -2.4494 0.6608 O.2 1 UNL1 -0.2872 31 N -0.5501 -2.2226 -1.1374 N.2 1 UNL1 -0.4619 32 O -0.2355 3.3171 -0.5331 O.3 1 UNL1 -0.2995 33 C 4.7999 -4.7302 0.1069 C.1 1 UNL1 -0.2034 34 C -4.3835 1.6131 -0.6398 C.2 1 UNL1 0.6893 35 O -4.9694 2.5948 -0.9979 O.2 1 UNL1 -0.4461 36 P -5.0473 1.4643 1.9068 P.3 1 UNL1 0.3943 37 C -0.6511 -1.4414 -0.1080 C.2 1 UNL1 0.3930 38 O -1.0784 4.4718 1.3000 O.3 1 UNL1 -0.2101 39 C 3.5050 -5.1040 0.1316 C.1 1 UNL1 0.3341 40 C -3.3167 0.9021 -1.3533 C.3 1 UNL1 -0.2829 41 O -3.3356 -0.4766 -1.4397 O.2 1 UNL1 -0.1204 42 C 0.4496 -0.8824 0.8826 C.3 1 UNL1 0.2466 43 O -2.1353 2.1074 0.5688 O.2 1 UNL1 -0.3476 44 C 2.3050 -5.3674 0.1275 C.1 1 UNL1 -0.2595 45 C -2.2717 1.5480 -1.8754 C.3 1 UNL1 0.5519 46 O -1.4363 2.1074 -2.4743 O.3 1 UNL1 -0.0427 47 C 0.9479 -2.0180 1.6658 C.1 1 UNL1 0.0963 48 N 1.3492 -2.9246 2.2583 N.1 1 UNL1 -0.2426 49 O 0.0330 2.3616 1.8478 O.3 1 UNL1 -0.3306 50 C 0.9761 -5.5048 0.0757 C.1 1 UNL1 0.4245 51 N -0.3452 0.0387 1.7461 N.3 1 UNL1 -0.7072 52 O -5.3226 0.3074 2.7145 O.2 1 UNL1 -0.1689 53 C -0.2559 -5.5394 -0.0064 C.1 1 UNL1 -0.3523 54 C -1.6970 -0.0358 1.5012 C.3 1 UNL1 0.5220 55 O -4.7273 0.8828 0.4788 O.3 1 UNL1 -0.3615 56 C -1.5747 -5.4706 -0.1350 C.1 1 UNL1 0.5038 57 N -1.8594 -0.9699 0.4014 N.pl3 1 UNL1 -0.4728 58 O -5.0050 2.8795 2.0919 O.2 1 UNL1 -0.1059 59 C -2.8061 -5.3660 -0.2628 C.1 1 UNL1 -0.4083 60 C -4.1003 -5.1835 -0.4181 C.1 1 UNL1 0.5692 61 C -5.3261 -4.9829 -0.5628 C.1 1 UNL1 -0.4970 62 C -6.5970 -4.7068 -0.6934 C.1 1 UNL1 0.6596 63 C -7.8207 -4.4323 -0.8223 C.1 1 UNL1 -0.7610 64 C -9.0876 -4.1181 -0.9448 C.3 1 UNL1 0.6612 @BOND 1 14 13 2 2 20 21 2 3 46 21 1 4 46 45 1 5 19 25 3 6 13 17 2 7 26 21 1 8 21 32 1 9 45 40 1 10 25 31 1 11 41 40 1 12 41 24 1 13 40 34 1 14 31 37 2 15 35 34 2 16 64 63 1 17 63 62 3 18 17 15 1 19 17 4 1 20 23 22 2 21 62 61 1 22 34 55 1 23 11 10 2 24 61 60 3 25 32 27 1 26 60 59 1 27 10 9 2 28 15 18 3 29 59 56 3 30 24 29 2 31 24 57 1 32 56 53 1 33 37 57 1 34 37 42 1 35 22 28 1 36 22 12 1 37 53 50 3 38 4 3 1 39 4 5 am 40 28 33 3 41 50 44 1 42 33 39 1 43 9 8 1 44 44 39 3 45 18 42 1 46 8 7 3 47 29 30 2 48 57 54 1 49 3 2 3 50 55 36 1 51 7 5 1 52 43 27 2 53 12 1 1 54 2 1 1 55 5 6 2 56 27 38 1 57 27 49 1 58 42 47 1 59 42 51 1 60 54 51 1 61 47 48 3 62 51 16 1 63 49 16 1 64 36 58 2 65 36 52 2