@MOLECULE (2s,3s,4s,5s,6r)-6-{[{[{[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.2371 -0.2444 -0.4955 P.3 1 UNL1 0.3911 2 P -2.1564 -2.2457 -1.0728 P.3 1 UNL1 0.4865 3 O 0.4544 0.6438 -1.4689 O.2 1 UNL1 -0.1614 4 O 1.1246 4.0812 -1.3395 O.2 1 UNL1 -0.2445 5 O -1.7304 3.4194 -1.8120 O.2 1 UNL1 -0.3565 6 O -1.0244 -0.0944 0.8613 O.3 1 UNL1 -0.3744 7 O -3.1259 0.6009 -1.4385 O.3 1 UNL1 -0.3233 8 O -1.0306 -2.2678 0.2694 O.3 1 UNL1 -0.1579 9 O 2.5917 -0.1533 1.9884 O.2 1 UNL1 -0.2631 10 O 0.9905 -2.6831 2.2407 O.2 1 UNL1 -0.1880 11 O 0.5575 1.4697 3.5180 O.2 1 UNL1 -0.2197 12 O -3.4802 -1.7755 -0.5014 O.3 1 UNL1 -0.1650 13 O -2.4468 0.7879 2.9862 O.2 1 UNL1 -0.4339 14 O -4.0681 0.2311 0.8595 O.3 1 UNL1 -0.2823 15 O -1.4760 -1.0116 -1.8331 O.3 1 UNL1 -0.3103 16 O -4.1892 2.2929 2.5774 O.2 1 UNL1 -0.2683 17 O -5.3791 -0.4725 -1.3404 O.2 1 UNL1 -0.1320 18 O -1.8177 -3.5329 -1.5921 O.2 1 UNL1 -0.0621 19 O 6.5472 -0.8657 0.2803 O.2 1 UNL1 -0.2947 20 N 2.5714 1.4840 -0.9672 N.2 1 UNL1 -0.4884 21 N 2.6096 -0.8855 -0.7425 N.2 1 UNL1 -0.5525 22 N 5.3138 1.5605 -0.4218 N.1 1 UNL1 -0.4856 23 N 4.6880 -2.0732 -0.2460 N.am 1 UNL1 -0.4172 24 N 2.7244 -3.2336 -0.6652 N.pl3 1 UNL1 -0.0456 25 C 0.6267 3.0090 -1.4243 C.2 1 UNL1 0.2871 26 C -0.8555 2.6177 -1.6505 C.2 1 UNL1 0.4029 27 C 1.3313 1.6555 -1.2776 C.2 1 UNL1 0.3141 28 C -0.8527 1.1951 -1.5923 C.3 1 UNL1 -0.3749 29 C -1.8847 0.2750 -1.5840 C.3 1 UNL1 0.6687 30 C 1.4190 -0.2863 2.1481 C.2 1 UNL1 0.2415 31 C 0.7060 -1.6019 1.8418 C.2 1 UNL1 0.2418 32 C 0.4266 0.8134 2.5311 C.2 1 UNL1 0.0878 33 C -0.5253 -1.3730 0.9386 C.3 1 UNL1 0.4845 34 C -0.7173 0.9758 1.4961 C.3 1 UNL1 0.4907 35 C 3.2247 0.2819 -0.7464 C.2 1 UNL1 0.4136 36 C 5.8857 2.6167 -0.4159 C.1 1 UNL1 0.4616 37 C 4.6647 0.3986 -0.4428 C.3 1 UNL1 0.0406 38 C -3.3308 1.5277 2.7380 C.1 1 UNL1 0.7238 39 C 5.4060 -0.8526 -0.0959 C.2 1 UNL1 0.4940 40 C 3.3953 -2.0531 -0.5398 C.2 1 UNL1 0.3715 @BOND 1 15 29 1 2 15 2 1 3 5 26 2 4 26 28 1 5 26 25 1 6 28 29 1 7 28 3 1 8 18 2 2 9 29 7 1 10 3 27 1 11 7 1 1 12 25 4 2 13 25 27 1 14 17 1 2 15 27 20 2 16 2 12 1 17 2 8 1 18 20 35 1 19 35 21 2 20 35 37 1 21 21 40 2 22 24 40 1 23 40 23 1 24 12 1 1 25 1 14 1 26 37 22 1 27 37 39 1 28 22 36 3 29 23 39 am 30 39 19 2 31 8 33 1 32 6 33 1 33 6 34 1 34 33 31 1 35 34 32 1 36 31 30 1 37 31 10 2 38 9 30 2 39 30 32 1 40 32 11 2 41 16 38 2 42 38 13 2