@MOLECULE [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name) 60 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.1167 -1.1023 0.0753 P.3 1 UNL1 0.3689 2 P -3.2993 1.6935 -0.8599 P.3 1 UNL1 0.3773 3 O 0.3364 -3.2401 -0.6417 O.3 1 UNL1 -0.4176 4 O 1.0891 -4.0809 2.3621 O.3 1 UNL1 -0.5387 5 O -0.0585 -0.9168 1.1127 O.3 1 UNL1 -0.6204 6 O 0.5134 3.2197 0.3123 O.3 1 UNL1 -0.4608 7 O -2.6986 -1.7344 0.3932 O.3 1 UNL1 -0.2081 8 O 1.1470 0.8195 2.7672 O.3 1 UNL1 -0.5801 9 O 3.0882 2.3947 2.3161 O.3 1 UNL1 -0.5468 10 O -1.8081 1.6683 -0.2587 O.3 1 UNL1 -0.3799 11 O 2.7701 3.6490 0.1005 O.3 1 UNL1 -0.5835 12 O -4.0346 0.4399 -0.2643 O.3 1 UNL1 -0.2162 13 O -4.5186 -1.7937 -1.3028 O.3 1 UNL1 -0.3788 14 O -4.9855 -1.2425 1.2265 O.2 1 UNL1 -0.1888 15 O -2.9320 1.3773 -2.3724 O.3 1 UNL1 -0.2867 16 O -4.1558 2.8403 -0.6548 O.2 1 UNL1 -0.1801 17 O 5.2136 0.8960 -1.9068 O.2 1 UNL1 -0.3756 18 N 2.5630 -2.6326 -0.4572 N.ar 1 UNL1 -0.3745 19 N 1.4169 -0.5377 -1.2143 N.ar 1 UNL1 -0.5027 20 N 4.6960 -1.9965 -0.9198 N.ar 1 UNL1 -0.2541 21 N 2.9628 1.2024 -1.8391 N.ar 1 UNL1 -0.6807 22 N 0.6556 1.5072 -2.1553 N.pl3 1 UNL1 -0.6000 23 C 1.1816 -2.9096 1.5926 C.3 1 UNL1 0.0090 24 C -0.2208 -2.2627 1.4547 C.3 1 UNL1 0.1031 25 C 1.4988 -3.4155 0.1467 C.3 1 UNL1 0.2728 26 C -0.7881 -2.9609 0.2037 C.3 1 UNL1 0.0551 27 C -1.7458 -2.0915 -0.6324 C.3 1 UNL1 -0.0241 28 C 0.7108 2.1159 2.4291 C.3 1 UNL1 0.0707 29 C 0.0554 2.0790 1.0334 C.3 1 UNL1 0.0254 30 C 1.8887 3.1217 2.2788 C.3 1 UNL1 0.0107 31 C 1.6465 3.8135 0.9043 C.3 1 UNL1 0.3121 32 C 2.5095 -1.3394 -0.9568 C.ar 1 UNL1 0.2496 33 C -1.4791 2.1708 1.0485 C.3 1 UNL1 -0.0010 34 C 3.9441 -2.9930 -0.4643 C.ar 1 UNL1 0.0730 35 C 3.8458 -0.9490 -1.2266 C.ar 1 UNL1 -0.1859 36 C 4.1403 0.4044 -1.6944 C.ar 1 UNL1 0.6190 37 C 1.7425 0.7401 -1.7210 C.ar 1 UNL1 0.5594 38 H 1.9464 -2.2209 1.9942 H 1 UNL1 0.1478 39 H -0.8625 -2.3587 2.3498 H 1 UNL1 0.1572 40 H 1.7574 -4.5060 0.1158 H 1 UNL1 0.1775 41 H -1.2464 -3.9398 0.4683 H 1 UNL1 0.1553 42 H -1.2359 -1.1908 -1.0285 H 1 UNL1 0.1335 43 H -2.1606 -2.6740 -1.4786 H 1 UNL1 0.1498 44 H 0.0139 2.3872 3.2466 H 1 UNL1 0.1530 45 H 0.3945 1.1819 0.4682 H 1 UNL1 0.1550 46 H 1.9502 3.8390 3.1202 H 1 UNL1 0.1563 47 H 1.4537 4.9046 0.9347 H 1 UNL1 0.1537 48 H 1.2608 -3.8975 3.3099 H 1 UNL1 0.3320 49 H 0.3198 -0.3637 1.8408 H 1 UNL1 0.3669 50 H -1.8133 3.2170 1.1995 H 1 UNL1 0.1443 51 H -1.9007 1.5104 1.8366 H 1 UNL1 0.1494 52 H 4.2823 -3.9620 -0.1418 H 1 UNL1 0.1959 53 H 0.4918 -0.7793 -0.8537 H 1 UNL1 0.3636 54 H 2.1331 0.7519 2.6277 H 1 UNL1 0.3653 55 H 3.5927 2.5219 1.4621 H 1 UNL1 0.3657 56 H 2.6674 2.9469 -0.5916 H 1 UNL1 0.3784 57 H -5.2830 -1.2666 -1.7351 H 1 UNL1 0.3312 58 H 0.9189 2.3801 -2.6095 H 1 UNL1 0.3178 59 H -0.1008 1.6401 -1.4980 H 1 UNL1 0.3143 60 H -1.9711 1.0071 -2.4207 H 1 UNL1 0.3156 @BOND 1 58 22 1 2 60 15 1 3 15 2 1 4 22 37 1 5 22 59 1 6 17 36 2 7 21 37 ar 8 21 36 ar 9 57 13 1 10 37 19 ar 11 36 35 ar 12 43 27 1 13 13 1 1 14 35 32 ar 15 35 20 ar 16 19 32 ar 17 19 53 1 18 42 27 1 19 32 18 ar 20 20 34 ar 21 2 16 2 22 2 12 1 23 2 10 1 24 3 25 1 25 3 26 1 26 27 26 1 27 27 7 1 28 56 11 1 29 34 18 ar 30 34 52 1 31 18 25 1 32 12 1 1 33 10 33 1 34 1 7 1 35 1 14 2 36 11 31 1 37 40 25 1 38 25 23 1 39 26 41 1 40 26 24 1 41 6 31 1 42 6 29 1 43 45 29 1 44 31 47 1 45 31 30 1 46 29 33 1 47 29 28 1 48 33 50 1 49 33 51 1 50 5 24 1 51 5 49 1 52 24 23 1 53 24 39 1 54 55 9 1 55 23 38 1 56 23 4 1 57 30 9 1 58 30 28 1 59 30 46 1 60 4 48 1 61 28 8 1 62 28 44 1 63 54 8 1