@MOLECULE (2r,3r,4r,5r)-5-({[{[{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-amino-1-pyridiniumyl)-4-hydroxytetrahydro-3-furanolate 69 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.4459 1.0601 1.3093 P.3 1 UNL1 0.3814 2 P -3.6984 -1.2968 -0.6810 P.3 1 UNL1 0.3807 3 O -0.3404 3.0480 1.3493 O.3 1 UNL1 -0.3766 4 O 0.0683 -3.4761 -1.3418 O.3 1 UNL1 -0.3105 5 O -0.1215 5.5323 -0.5578 O.3 1 UNL1 -0.5462 6 O 2.2699 4.3877 -0.5120 O.3 1 UNL1 -0.5579 7 O 0.2627 -5.6344 0.5454 O.3 1 UNL1 -0.5134 8 O -3.1264 2.2053 0.2409 O.3 1 UNL1 -0.2800 9 O 2.2056 -4.0395 1.4411 O.2 1 UNL1 -0.4896 10 O -2.7462 -2.4360 -0.1461 O.3 1 UNL1 -0.1634 11 O -3.7048 -0.2222 0.4437 O.3 1 UNL1 -0.3155 12 O -4.9150 1.4915 1.7168 O.3 1 UNL1 -0.2499 13 O -2.8927 -0.6336 -1.8990 O.3 1 UNL1 -0.4112 14 O -2.5748 0.8077 2.4365 O.2 1 UNL1 -0.2088 15 O -5.0207 -1.8165 -0.9695 O.2 1 UNL1 -0.2264 16 N 1.5068 1.6502 1.2455 N.ar 1 UNL1 -0.3787 17 N 1.5267 -1.7270 -1.7274 N.pl3 1 UNL1 0.1866 18 N 1.6040 -0.5596 1.7479 N.ar 1 UNL1 -0.3952 19 N 3.8541 1.9881 0.5235 N.ar 1 UNL1 -0.5601 20 N 5.1741 -0.0304 0.6650 N.ar 1 UNL1 -0.5788 21 N -0.3669 1.1611 -2.9857 N.pl3 1 UNL1 -0.6262 22 N 4.3588 -2.0868 1.3923 N.pl3 1 UNL1 -0.5429 23 C -0.1132 4.1463 -0.7780 C.3 1 UNL1 0.0891 24 C 1.2260 3.4599 -0.4303 C.3 1 UNL1 0.0259 25 C -1.1026 3.5037 0.2252 C.3 1 UNL1 0.0311 26 C 1.0291 3.0192 1.0521 C.3 1 UNL1 0.2323 27 C -0.1015 -4.3498 0.9710 C.3 1 UNL1 -0.0195 28 C -0.7557 -3.5835 -0.1930 C.3 1 UNL1 0.0260 29 C 1.0828 -3.6153 1.5792 C.2 1 UNL1 0.3367 30 C 1.3128 -2.9353 -1.2088 C.3 1 UNL1 -0.1740 31 C -1.8413 2.3095 -0.3910 C.3 1 UNL1 -0.0381 32 C -1.3658 -2.2463 0.2598 C.3 1 UNL1 -0.0842 33 C 2.8099 1.2497 0.9879 C.ar 1 UNL1 0.2658 34 C 0.8116 0.5135 1.7115 C.ar 1 UNL1 0.1674 35 C 2.8613 -0.1466 1.3095 C.ar 1 UNL1 -0.1818 36 C 0.4927 -0.9391 -2.1906 C.2 1 UNL1 -0.3709 37 C 2.8258 -1.2349 -1.8340 C.2 1 UNL1 -0.3111 38 C 0.7292 0.3483 -2.6854 C.2 1 UNL1 0.3128 39 C 3.0751 0.0172 -2.3704 C.2 1 UNL1 0.0169 40 C 4.1220 -0.7818 1.1273 C.ar 1 UNL1 0.4676 41 C 2.0406 0.8402 -2.8034 C.3 1 UNL1 -0.4171 42 C 4.9993 1.2828 0.3963 C.ar 1 UNL1 0.3042 43 H -0.4024 4.0171 -1.8400 H 1 UNL1 0.1461 44 H 1.4401 2.6013 -1.1081 H 1 UNL1 0.1665 45 H -1.7954 4.2539 0.6717 H 1 UNL1 0.1832 46 H 1.5339 3.6979 1.7878 H 1 UNL1 0.1723 47 H -0.8642 -4.5663 1.7638 H 1 UNL1 0.1703 48 H -1.5584 -4.2444 -0.6414 H 1 UNL1 0.1891 49 H 0.8810 -2.7022 2.1600 H 1 UNL1 0.1624 50 H 2.0925 -3.5919 -0.8715 H 1 UNL1 0.1860 51 H -2.1449 2.5206 -1.4415 H 1 UNL1 0.1376 52 H -1.1953 1.4058 -0.3928 H 1 UNL1 0.1571 53 H -0.8243 -1.3825 -0.1670 H 1 UNL1 0.1631 54 H -1.3829 -2.1261 1.3640 H 1 UNL1 0.1512 55 H 0.7823 5.8490 -0.3233 H 1 UNL1 0.3490 56 H 3.1213 3.9176 -0.2785 H 1 UNL1 0.3716 57 H -0.2317 0.5591 2.0134 H 1 UNL1 0.2358 58 H 1.0255 -5.5832 -0.0795 H 1 UNL1 0.3324 59 H -0.5106 -1.3708 -2.1917 H 1 UNL1 0.2163 60 H 3.6333 -1.8757 -1.4894 H 1 UNL1 0.1852 61 H 4.1109 0.3605 -2.4476 H 1 UNL1 0.1623 62 H 2.2433 1.8175 -3.2184 H 1 UNL1 0.1741 63 H 5.8865 1.8296 0.0310 H 1 UNL1 0.1988 64 H -5.5114 1.4850 0.8738 H 1 UNL1 0.3133 65 H -1.2731 0.7249 -2.9234 H 1 UNL1 0.2994 66 H -0.2630 1.8261 -3.7260 H 1 UNL1 0.2903 67 H -3.5729 -0.1965 -2.5209 H 1 UNL1 0.3169 68 H 3.6001 -2.7165 1.6215 H 1 UNL1 0.3503 69 H 5.2697 -2.4777 1.2320 H 1 UNL1 0.3226 @BOND 1 66 21 1 2 62 41 1 3 21 65 1 4 21 38 1 5 41 38 1 6 41 39 1 7 38 36 2 8 67 13 1 9 61 39 1 10 39 37 2 11 59 36 1 12 36 17 1 13 13 2 1 14 43 23 1 15 37 17 1 16 37 60 1 17 17 30 1 18 51 31 1 19 4 30 1 20 4 28 1 21 30 50 1 22 44 24 1 23 15 2 2 24 23 5 1 25 23 24 1 26 23 25 1 27 2 10 1 28 2 11 1 29 48 28 1 30 5 55 1 31 6 24 1 32 6 56 1 33 24 26 1 34 52 31 1 35 31 25 1 36 31 8 1 37 28 32 1 38 28 27 1 39 53 32 1 40 10 32 1 41 58 7 1 42 63 42 1 43 25 45 1 44 25 3 1 45 8 1 1 46 32 54 1 47 42 19 ar 48 42 20 ar 49 11 1 1 50 19 33 ar 51 7 27 1 52 20 40 ar 53 64 12 1 54 27 29 1 55 27 47 1 56 33 16 ar 57 33 35 ar 58 26 16 1 59 26 3 1 60 26 46 1 61 40 35 ar 62 40 22 1 63 69 22 1 64 16 34 ar 65 1 12 1 66 1 14 2 67 35 18 ar 68 22 68 1 69 9 29 2 70 29 49 1 71 34 18 ar 72 34 57 1