@MOLECULE [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-{[(r)-{[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen phosphate 105 113 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -12.6033 -2.0300 1.1228 O.3 1 UNL1 -0.2967 2 P -11.7380 -2.3008 -0.1787 P.3 1 UNL1 0.3616 3 O -12.7648 -1.8839 -1.3304 O.3 1 UNL1 -0.3430 4 O -11.1548 -3.6250 -0.1878 O.2 1 UNL1 -0.2324 5 O -10.7667 -1.0228 -0.3088 O.3 1 UNL1 -0.3542 6 C -9.4494 -0.9939 0.2516 C.3 1 UNL1 -0.0364 7 C -8.4927 -0.7875 -0.9339 C.3 1 UNL1 0.0428 8 O -8.0571 0.5800 -0.9358 O.3 1 UNL1 -0.4141 9 C -6.7195 0.6978 -0.5192 C.3 1 UNL1 0.2549 10 C -6.2047 -0.7316 -0.1420 C.3 1 UNL1 0.0310 11 O -4.9466 -0.8178 -0.7818 O.3 1 UNL1 -0.3620 12 C -7.2268 -1.6649 -0.8559 C.3 1 UNL1 0.0788 13 O -6.8810 -1.9794 -2.1792 O.3 1 UNL1 -0.5430 14 N -6.7323 1.6183 0.6220 N.ar 1 UNL1 -0.3800 15 C -7.8811 2.0960 1.3093 C.ar 1 UNL1 0.1463 16 N -7.5842 3.0987 2.1301 N.ar 1 UNL1 -0.3425 17 C -6.2198 3.3374 1.9832 C.ar 1 UNL1 -0.2038 18 C -5.3233 4.2879 2.5383 C.ar 1 UNL1 0.4664 19 N -5.6963 5.2180 3.4504 N.pl3 1 UNL1 -0.5381 20 C -5.6724 2.4133 1.0295 C.ar 1 UNL1 0.2848 21 N -4.3607 2.3734 0.6751 N.ar 1 UNL1 -0.5525 22 C -3.6028 3.3352 1.2510 C.ar 1 UNL1 0.3061 23 N -4.0136 4.2688 2.1361 N.ar 1 UNL1 -0.5709 24 P -3.6704 -1.5144 -0.0640 P.3 1 UNL1 0.3639 25 O -3.0931 -0.4073 0.9018 O.3 1 UNL1 -0.3587 26 O -3.8498 -2.8275 0.5159 O.2 1 UNL1 -0.1942 27 O -2.7314 -1.6063 -1.3466 O.3 1 UNL1 -0.2049 28 C -1.9457 -0.4981 -1.8309 C.3 1 UNL1 -0.0713 29 C -0.5764 -1.1460 -2.1296 C.3 1 UNL1 0.0538 30 O 0.2448 -0.0856 -2.6501 O.3 1 UNL1 -0.4284 31 C 1.3526 0.1452 -1.8005 C.3 1 UNL1 0.2486 32 N 1.4942 1.5873 -1.6792 N.ar 1 UNL1 -0.3646 33 C 0.4712 2.5688 -1.6692 C.ar 1 UNL1 0.1431 34 N 0.9701 3.7964 -1.5393 N.ar 1 UNL1 -0.3422 35 C 2.3534 3.6549 -1.4683 C.ar 1 UNL1 -0.2024 36 C 2.6991 2.2645 -1.5651 C.ar 1 UNL1 0.2610 37 N 3.9698 1.7800 -1.5312 N.ar 1 UNL1 -0.5233 38 C 4.9134 2.7365 -1.3949 C.ar 1 UNL1 0.2998 39 N 4.7104 4.0717 -1.2929 N.ar 1 UNL1 -0.5710 40 C 3.4356 4.5658 -1.3302 C.ar 1 UNL1 0.4636 41 N 3.2677 5.9073 -1.2206 N.pl3 1 UNL1 -0.5435 42 C 1.0121 -0.5285 -0.4280 C.3 1 UNL1 0.0312 43 O 2.2392 -1.0195 0.0624 O.3 1 UNL1 -0.3625 44 C 0.1405 -1.7270 -0.8941 C.3 1 UNL1 0.0872 45 O 0.9211 -2.7913 -1.3866 O.3 1 UNL1 -0.5505 46 P 2.7961 -0.6648 1.5375 P.3 1 UNL1 0.3591 47 O 2.8576 0.9153 1.6299 O.3 1 UNL1 -0.3496 48 O 2.1385 -1.2626 2.6789 O.2 1 UNL1 -0.1640 49 O 4.2488 -1.2700 1.3859 O.3 1 UNL1 -0.2088 50 C 5.1722 -0.9895 0.3073 C.3 1 UNL1 -0.0692 51 C 6.0413 -2.2624 0.3723 C.3 1 UNL1 0.0683 52 O 7.1579 -2.0413 -0.5044 O.3 1 UNL1 -0.4243 53 C 8.3682 -2.1478 0.2189 C.3 1 UNL1 0.2402 54 N 9.2551 -1.1101 -0.2967 N.ar 1 UNL1 -0.3771 55 C 9.1156 -0.3559 -1.4908 C.ar 1 UNL1 0.1591 56 N 10.2108 0.3538 -1.7526 N.ar 1 UNL1 -0.3468 57 C 11.1220 0.0673 -0.7371 C.ar 1 UNL1 -0.1961 58 C 10.5301 -0.8565 0.1869 C.ar 1 UNL1 0.2719 59 N 11.1460 -1.3372 1.2999 N.ar 1 UNL1 -0.5537 60 C 12.4049 -0.8782 1.4730 C.ar 1 UNL1 0.3115 61 N 13.0722 -0.0238 0.6637 N.ar 1 UNL1 -0.5673 62 C 12.4568 0.4667 -0.4574 C.ar 1 UNL1 0.4698 63 N 13.1618 1.3078 -1.2536 N.pl3 1 UNL1 -0.5436 64 C 8.0224 -1.9468 1.7249 C.3 1 UNL1 0.0372 65 O 8.8493 -2.7235 2.5385 O.3 1 UNL1 -0.5655 66 C 6.5880 -2.5279 1.7922 C.3 1 UNL1 0.0946 67 O 6.5933 -3.9259 1.9485 O.3 1 UNL1 -0.5461 68 H -13.1155 -1.1449 1.0128 H 1 UNL1 0.3120 69 H -12.2292 -1.6118 -2.1616 H 1 UNL1 0.3231 70 H -9.1548 -1.8607 0.8759 H 1 UNL1 0.1440 71 H -9.4789 -0.0923 0.9051 H 1 UNL1 0.1382 72 H -9.0063 -0.8886 -1.9195 H 1 UNL1 0.1881 73 H -6.1440 1.1585 -1.3649 H 1 UNL1 0.1781 74 H -6.2214 -0.8906 0.9595 H 1 UNL1 0.1578 75 H -7.3739 -2.6363 -0.3406 H 1 UNL1 0.1610 76 H -5.9327 -1.7791 -2.3507 H 1 UNL1 0.3454 77 H -8.8647 1.6730 1.1453 H 1 UNL1 0.2117 78 H -6.6483 5.2603 3.7641 H 1 UNL1 0.3303 79 H -5.0314 5.8762 3.8117 H 1 UNL1 0.3260 80 H -2.5326 3.3632 0.9708 H 1 UNL1 0.2077 81 H -3.5473 0.5069 0.7184 H 1 UNL1 0.3567 82 H -1.8288 0.3796 -1.1685 H 1 UNL1 0.1441 83 H -2.4364 -0.1646 -2.7702 H 1 UNL1 0.1458 84 H -0.6316 -1.8915 -2.9536 H 1 UNL1 0.1738 85 H 2.2644 -0.2904 -2.2889 H 1 UNL1 0.1867 86 H -0.5722 2.3061 -1.7771 H 1 UNL1 0.2095 87 H 5.9670 2.4005 -1.3616 H 1 UNL1 0.2077 88 H 2.3459 6.3012 -1.2430 H 1 UNL1 0.3294 89 H 4.0588 6.5140 -1.1136 H 1 UNL1 0.3262 90 H 0.4278 0.1498 0.2345 H 1 UNL1 0.1611 91 H -0.5128 -2.1381 -0.1016 H 1 UNL1 0.1741 92 H 1.7262 -2.9079 -0.8307 H 1 UNL1 0.3441 93 H 3.0393 1.3370 0.7193 H 1 UNL1 0.3168 94 H 5.7523 -0.0801 0.5585 H 1 UNL1 0.1405 95 H 4.7290 -0.8613 -0.6994 H 1 UNL1 0.1632 96 H 5.5238 -3.1559 -0.0415 H 1 UNL1 0.1736 97 H 8.8028 -3.1603 0.0084 H 1 UNL1 0.1694 98 H 8.2056 -0.3842 -2.0772 H 1 UNL1 0.2166 99 H 12.9521 -1.2378 2.3634 H 1 UNL1 0.2036 100 H 14.1067 1.5549 -1.0276 H 1 UNL1 0.3251 101 H 12.7439 1.6774 -2.0869 H 1 UNL1 0.3294 102 H 8.0749 -0.8854 2.0423 H 1 UNL1 0.1505 103 H 9.7986 -2.4334 2.4161 H 1 UNL1 0.3757 104 H 5.9761 -2.1045 2.6160 H 1 UNL1 0.1699 105 H 7.3639 -4.1990 2.5002 H 1 UNL1 0.3456 @BOND 1 84 29 1 2 83 28 1 3 30 29 1 4 30 31 1 5 76 13 1 6 85 31 1 7 13 12 1 8 69 3 1 9 29 28 1 10 29 44 1 11 101 63 1 12 98 55 1 13 72 7 1 14 28 27 1 15 28 82 1 16 31 32 1 17 31 42 1 18 86 33 1 19 56 55 ar 20 56 57 ar 21 32 33 ar 22 32 36 ar 23 33 34 ar 24 36 37 ar 25 36 35 ar 26 34 35 ar 27 37 38 ar 28 55 54 ar 29 35 40 ar 30 38 87 1 31 38 39 ar 32 45 44 1 33 45 92 1 34 73 9 1 35 27 24 1 36 3 2 1 37 40 39 ar 38 40 41 1 39 63 100 1 40 63 62 1 41 88 41 1 42 41 89 1 43 8 7 1 44 8 9 1 45 7 12 1 46 7 6 1 47 44 42 1 48 44 91 1 49 12 75 1 50 12 10 1 51 11 10 1 52 11 24 1 53 57 62 ar 54 57 58 ar 55 95 50 1 56 9 10 1 57 9 14 1 58 52 53 1 59 52 51 1 60 62 61 ar 61 42 43 1 62 42 90 1 63 5 2 1 64 5 6 1 65 54 58 ar 66 54 53 1 67 4 2 2 68 2 1 1 69 10 74 1 70 24 26 2 71 24 25 1 72 96 51 1 73 97 53 1 74 43 46 1 75 58 59 ar 76 53 64 1 77 6 70 1 78 6 71 1 79 50 51 1 80 50 94 1 81 50 49 1 82 51 66 1 83 14 20 ar 84 14 15 ar 85 61 60 ar 86 21 20 ar 87 21 22 ar 88 81 25 1 89 93 47 1 90 80 22 1 91 68 1 1 92 20 17 ar 93 77 15 1 94 22 23 ar 95 59 60 ar 96 15 16 ar 97 49 46 1 98 60 99 1 99 46 47 1 100 46 48 2 101 64 66 1 102 64 102 1 103 64 65 1 104 66 67 1 105 66 104 1 106 67 105 1 107 17 16 ar 108 17 18 ar 109 23 18 ar 110 103 65 1 111 18 19 1 112 19 78 1 113 19 79 1