@MOLECULE [(2s,4s,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydro-2-furanyl]methyl hydrogen [(2s,3r)-2,3-dihydroxy-4-methylpentanoyl]phosphoramidate 56 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.9815 3.2839 -0.7426 O.3 1 UNL1 -0.3207 2 P -2.2302 2.6398 0.6786 P.3 1 UNL1 0.3594 3 O -2.5323 3.5552 1.7598 O.2 1 UNL1 -0.1871 4 N -3.4835 1.4679 0.4763 N.am 1 UNL1 -0.4938 5 C -3.7000 0.7643 -0.6860 C.2 1 UNL1 0.5630 6 C -4.6808 -0.4079 -0.6370 C.3 1 UNL1 -0.0140 7 C -4.0394 -1.5970 0.1343 C.3 1 UNL1 0.1115 8 C -5.1186 -2.5175 0.7418 C.3 1 UNL1 -0.1213 9 C -4.4517 -3.7885 1.2721 C.3 1 UNL1 -0.4457 10 C -5.8540 -1.8010 1.8779 C.3 1 UNL1 -0.4585 11 O -3.2172 -2.3191 -0.7464 O.3 1 UNL1 -0.5493 12 O -4.9855 -0.8471 -1.9378 O.3 1 UNL1 -0.5344 13 O -3.1478 1.0583 -1.7424 O.2 1 UNL1 -0.5942 14 O -0.9961 1.6954 1.0494 O.3 1 UNL1 -0.2644 15 C 0.1230 1.4571 0.1908 C.3 1 UNL1 -0.0656 16 C -0.1231 0.2626 -0.7490 C.3 1 UNL1 0.0879 17 C -0.2005 -1.0681 -0.0012 C.3 1 UNL1 -0.3514 18 C 1.2278 -1.6278 -0.0531 C.3 1 UNL1 0.1183 19 O 1.7817 -1.3556 1.2069 O.3 1 UNL1 -0.5451 20 O 1.0090 0.1778 -1.6279 O.3 1 UNL1 -0.4172 21 C 1.9150 -0.8037 -1.2000 C.3 1 UNL1 0.2397 22 N 3.1260 -0.1071 -0.7645 N.ar 1 UNL1 -0.3584 23 C 4.2996 -0.7042 -0.3361 C.ar 1 UNL1 0.2566 24 N 4.6217 -2.0247 -0.2464 N.ar 1 UNL1 -0.5329 25 C 5.8709 -2.2483 0.2116 C.ar 1 UNL1 0.2998 26 C 3.3236 1.2927 -0.6687 C.ar 1 UNL1 0.1479 27 N 4.5398 1.5890 -0.2114 N.ar 1 UNL1 -0.3466 28 C 5.1824 0.3748 0.0095 C.ar 1 UNL1 -0.1922 29 C 6.4729 0.0089 0.4780 C.ar 1 UNL1 0.4684 30 N 6.7887 -1.3173 0.5722 N.ar 1 UNL1 -0.5727 31 N 7.4113 0.9206 0.8398 N.pl3 1 UNL1 -0.5486 32 H -2.2304 2.5799 -1.4742 H 1 UNL1 0.3548 33 H -4.0075 1.1973 1.3341 H 1 UNL1 0.3179 34 H -5.6660 -0.1064 -0.2123 H 1 UNL1 0.1642 35 H -3.3190 -1.2543 0.9127 H 1 UNL1 0.1511 36 H -4.3354 -0.4650 -2.5871 H 1 UNL1 0.3519 37 H -5.8479 -2.7948 -0.0578 H 1 UNL1 0.1475 38 H -3.7213 -2.5740 -1.5540 H 1 UNL1 0.3351 39 H -5.1942 -4.5157 1.6162 H 1 UNL1 0.1416 40 H -3.8475 -4.2759 0.4948 H 1 UNL1 0.1599 41 H -3.7801 -3.5758 2.1115 H 1 UNL1 0.1485 42 H -6.4474 -0.9533 1.5219 H 1 UNL1 0.1401 43 H -6.5541 -2.4841 2.3767 H 1 UNL1 0.1538 44 H -5.1623 -1.4402 2.6475 H 1 UNL1 0.1487 45 H 0.4860 2.3378 -0.3734 H 1 UNL1 0.1422 46 H 0.8819 1.1986 0.9733 H 1 UNL1 0.1689 47 H -0.9606 0.4198 -1.4638 H 1 UNL1 0.1684 48 H -0.5288 -0.9350 1.0500 H 1 UNL1 0.1893 49 H -0.9295 -1.7608 -0.4605 H 1 UNL1 0.1766 50 H 1.2834 -2.7167 -0.2489 H 1 UNL1 0.1392 51 H 2.7124 -1.6659 1.2651 H 1 UNL1 0.3337 52 H 2.5614 2.0009 -0.9645 H 1 UNL1 0.2106 53 H 6.1873 -3.3019 0.3053 H 1 UNL1 0.2003 54 H 7.2027 1.9000 0.7882 H 1 UNL1 0.3292 55 H 8.3085 0.6263 1.1729 H 1 UNL1 0.3229 56 H 2.1518 -1.4159 -2.1071 H 1 UNL1 0.1651 @BOND 1 36 12 1 2 56 21 1 3 12 6 1 4 13 5 2 5 20 21 1 6 20 16 1 7 38 11 1 8 32 1 1 9 47 16 1 10 21 22 1 11 21 18 1 12 52 26 1 13 22 26 ar 14 22 23 ar 15 16 17 1 16 16 15 1 17 11 7 1 18 1 2 1 19 5 6 1 20 5 4 am 21 26 27 ar 22 6 34 1 23 6 7 1 24 49 17 1 25 45 15 1 26 23 24 ar 27 23 28 ar 28 50 18 1 29 24 25 ar 30 27 28 ar 31 37 8 1 32 18 17 1 33 18 19 1 34 17 48 1 35 28 29 ar 36 7 8 1 37 7 35 1 38 15 46 1 39 15 14 1 40 25 53 1 41 25 30 ar 42 4 2 1 43 4 33 1 44 29 30 ar 45 29 31 1 46 40 9 1 47 2 14 1 48 2 3 2 49 8 9 1 50 8 10 1 51 54 31 1 52 31 55 1 53 19 51 1 54 9 39 1 55 9 41 1 56 42 10 1 57 10 43 1 58 10 44 1