@MOLECULE (2r,3r,4r,5r)-5-({[{[{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-carbamoyl-1-pyridiniumyl)-4-hydroxytetrahydro-3-furanolate 70 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.0821 0.4132 0.9440 P.3 1 UNL1 0.3742 2 P -2.7417 0.7572 -1.8223 P.3 1 UNL1 0.3812 3 O -1.2788 -1.8658 -0.0205 O.3 1 UNL1 -0.4408 4 O 0.5599 1.7394 0.7491 O.3 1 UNL1 -0.3050 5 O -2.2498 -5.1039 0.3367 O.3 1 UNL1 -0.5491 6 O -0.1120 3.9692 2.3230 O.3 1 UNL1 -0.5068 7 O 1.6810 5.2046 0.7423 O.2 1 UNL1 -0.4062 8 O -4.0656 -1.1898 1.0520 O.3 1 UNL1 -0.3021 9 O -1.2595 1.1894 -1.4009 O.3 1 UNL1 -0.3016 10 O -3.6114 0.7357 -0.5184 O.3 1 UNL1 -0.2989 11 O -5.6448 0.6160 0.7605 O.3 1 UNL1 -0.2464 12 O -2.3678 -0.7314 -2.2074 O.3 1 UNL1 -0.3118 13 O -3.4786 1.2016 1.9969 O.2 1 UNL1 -0.2267 14 O -3.4756 1.5017 -2.8232 O.2 1 UNL1 -0.1898 15 O 2.6768 -1.6756 -4.0283 O.2 1 UNL1 -0.5114 16 N 0.8183 -1.7389 0.9147 N.ar 1 UNL1 -0.4065 17 N 2.5014 1.5388 -0.4837 N.pl3 1 UNL1 0.1327 18 N 1.5013 -0.2080 2.4542 N.ar 1 UNL1 -0.3505 19 N 3.0310 -2.7147 0.3530 N.ar 1 UNL1 -0.5085 20 N 4.8484 -1.6660 1.5612 N.ar 1 UNL1 -0.5726 21 N 4.5418 0.0436 3.1331 N.pl3 1 UNL1 -0.5556 22 N 0.6373 -1.0871 -3.3079 N.am 1 UNL1 -0.6844 23 C -1.6367 -4.0145 0.9920 C.3 1 UNL1 0.1129 24 C -2.3047 -2.6987 0.5290 C.3 1 UNL1 0.0304 25 C -0.3825 4.0008 0.9482 C.3 1 UNL1 -0.0099 26 C -0.0172 -2.5000 -0.0195 C.3 1 UNL1 0.3355 27 C -0.2087 -3.9521 0.4378 C.3 1 UNL1 -0.3645 28 C -0.5432 2.5676 0.4086 C.3 1 UNL1 0.0078 29 C 0.6887 4.7884 0.2045 C.2 1 UNL1 0.2847 30 C 1.8104 2.1949 0.4504 C.3 1 UNL1 -0.1901 31 C -2.9830 -1.9080 1.6538 C.3 1 UNL1 -0.0419 32 C -0.8567 2.5289 -1.0908 C.3 1 UNL1 -0.0482 33 C 2.1960 -1.8735 1.0133 C.ar 1 UNL1 0.2724 34 C 0.4495 -0.6868 1.7964 C.ar 1 UNL1 0.1766 35 C 1.9081 0.5954 -1.3084 C.2 1 UNL1 -0.2418 36 C 3.8624 1.7922 -0.6409 C.2 1 UNL1 -0.2325 37 C 2.6128 -0.9105 1.9909 C.ar 1 UNL1 -0.2033 38 C 2.6383 -0.0417 -2.3015 C.2 1 UNL1 -0.0241 39 C 4.6073 1.1218 -1.5932 C.2 1 UNL1 -0.0477 40 C 4.0023 0.2001 -2.4479 C.3 1 UNL1 -0.2362 41 C 4.0071 -0.8323 2.2418 C.ar 1 UNL1 0.4625 42 C 4.3321 -2.5502 0.6705 C.ar 1 UNL1 0.3006 43 C 2.0141 -0.9939 -3.2700 C.2 1 UNL1 0.5821 44 H -1.6722 -4.1745 2.0860 H 1 UNL1 0.1258 45 H -3.0063 -2.8829 -0.3218 H 1 UNL1 0.1751 46 H -1.3556 4.5534 0.9003 H 1 UNL1 0.1667 47 H 0.3942 -2.3892 -1.0581 H 1 UNL1 0.1753 48 H -1.3337 2.0461 1.0162 H 1 UNL1 0.2038 49 H 0.5525 -4.2713 1.1720 H 1 UNL1 0.1845 50 H -0.0932 -4.6583 -0.4136 H 1 UNL1 0.1978 51 H 0.5015 4.9831 -0.8598 H 1 UNL1 0.1032 52 H 2.2487 2.9020 1.1320 H 1 UNL1 0.1895 53 H -2.2457 -1.3205 2.2386 H 1 UNL1 0.1523 54 H -3.5186 -2.5852 2.3566 H 1 UNL1 0.1331 55 H -1.5604 3.3328 -1.3796 H 1 UNL1 0.1381 56 H 0.0694 2.6304 -1.7032 H 1 UNL1 0.1428 57 H -3.1032 -5.3364 0.7506 H 1 UNL1 0.3181 58 H 0.5463 3.2590 2.5226 H 1 UNL1 0.3358 59 H -0.5680 -0.3240 1.8650 H 1 UNL1 0.2174 60 H 0.8572 0.3722 -1.1077 H 1 UNL1 0.2070 61 H 4.3092 2.5297 0.0243 H 1 UNL1 0.1840 62 H 5.6779 1.3226 -1.6736 H 1 UNL1 0.1659 63 H 4.5774 -0.3284 -3.2080 H 1 UNL1 0.1909 64 H 5.0594 -3.1987 0.1496 H 1 UNL1 0.2043 65 H -5.9233 0.2084 -0.1504 H 1 UNL1 0.3198 66 H -1.9010 -1.1785 -1.3985 H 1 UNL1 0.3439 67 H 5.5324 0.1038 3.2589 H 1 UNL1 0.3231 68 H 3.9412 0.6927 3.6051 H 1 UNL1 0.3291 69 H 0.1998 -1.6471 -4.0140 H 1 UNL1 0.3155 70 H 0.0384 -0.5089 -2.7611 H 1 UNL1 0.3184 @BOND 1 15 43 2 2 69 22 1 3 22 43 am 4 22 70 1 5 43 38 1 6 63 40 1 7 14 2 2 8 40 38 1 9 40 39 1 10 38 35 2 11 12 2 1 12 12 66 1 13 2 9 1 14 2 10 1 15 56 32 1 16 62 39 1 17 39 36 2 18 9 32 1 19 55 32 1 20 35 60 1 21 35 17 1 22 32 28 1 23 47 26 1 24 51 29 1 25 36 17 1 26 36 61 1 27 10 1 1 28 17 30 1 29 50 27 1 30 45 24 1 31 65 11 1 32 3 26 1 33 3 24 1 34 26 27 1 35 26 16 1 36 64 42 1 37 29 7 2 38 29 25 1 39 5 57 1 40 5 23 1 41 19 42 ar 42 19 33 ar 43 28 4 1 44 28 25 1 45 28 48 1 46 27 23 1 47 27 49 1 48 30 4 1 49 30 52 1 50 24 23 1 51 24 31 1 52 42 20 ar 53 11 1 1 54 46 25 1 55 16 33 ar 56 16 34 ar 57 1 8 1 58 1 13 2 59 25 6 1 60 23 44 1 61 33 37 ar 62 8 31 1 63 20 41 ar 64 31 53 1 65 31 54 1 66 34 59 1 67 34 18 ar 68 37 41 ar 69 37 18 ar 70 41 21 1 71 6 58 1 72 21 67 1 73 21 68 1