@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3r,4r,5r)-2-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl hydrogen (s)-phosphate 63 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -3.0912 -1.3886 0.3946 N.ar 1 UNL1 -0.4640 2 C -4.1120 -2.1654 -0.1998 C.ar 1 UNL1 0.7214 3 O -5.2166 -1.7104 -0.4145 O.2 1 UNL1 -0.5360 4 N -3.7834 -3.4750 -0.5442 N.ar 1 UNL1 -0.6261 5 O -2.3493 -5.1973 -0.7173 O.2 1 UNL1 -0.4787 6 C -2.4926 -4.0528 -0.3586 C.ar 1 UNL1 0.6209 7 C -1.5085 -3.1750 0.2407 C.ar 1 UNL1 -0.4499 8 C -1.8220 -1.9046 0.5960 C.ar 1 UNL1 0.1885 9 C -6.6778 -0.1592 1.2508 C.3 1 UNL1 -0.0315 10 O -7.8241 0.3811 1.8701 O.3 1 UNL1 -0.5399 11 C -5.4834 0.7694 1.4955 C.3 1 UNL1 0.0231 12 O -4.3464 -0.0388 1.8200 O.3 1 UNL1 -0.4276 13 C -5.1064 1.6479 0.2825 C.3 1 UNL1 0.0931 14 O -4.7960 2.9371 0.7370 O.3 1 UNL1 -0.5267 15 C -3.9215 0.8771 -0.3652 C.3 1 UNL1 0.0168 16 O -2.9513 1.8685 -0.6906 O.3 1 UNL1 -0.2763 17 C -3.3759 -0.0018 0.8038 C.3 1 UNL1 0.2647 18 P -1.8178 1.5735 -1.7954 P.3 1 UNL1 0.3616 19 O -2.2129 1.2200 -3.1380 O.2 1 UNL1 -0.1914 20 O -1.0081 2.9277 -1.6963 O.3 1 UNL1 -0.2829 21 O -1.0444 0.4405 -0.9463 O.3 1 UNL1 -0.3760 22 C 0.3323 0.1081 -1.1328 C.3 1 UNL1 -0.0203 23 C 1.0816 0.7502 0.0463 C.3 1 UNL1 0.0397 24 O 2.0672 -0.2092 0.4506 O.3 1 UNL1 -0.4343 25 C 1.7939 2.0826 -0.2835 C.3 1 UNL1 0.0887 26 O 1.2137 3.0540 0.5508 O.3 1 UNL1 -0.5704 27 C 3.2874 1.8013 -0.0008 C.3 1 UNL1 0.0348 28 O 3.8043 2.8244 0.7986 O.3 1 UNL1 -0.5657 29 C 3.2610 0.4616 0.8000 C.3 1 UNL1 0.2477 30 N 4.3558 -0.4157 0.4157 N.ar 1 UNL1 -0.3827 31 C 4.3079 -1.7598 -0.0386 C.ar 1 UNL1 0.1593 32 N 5.5293 -2.2463 -0.2427 N.ar 1 UNL1 -0.3372 33 C 7.8416 -1.1106 0.0776 C.ar 1 UNL1 0.4720 34 N 8.6678 -2.1164 -0.2976 N.pl3 1 UNL1 -0.5370 35 C 6.4246 -1.2276 0.0785 C.ar 1 UNL1 -0.1927 36 C 5.6959 -0.0663 0.4971 C.ar 1 UNL1 0.2725 37 N 6.2586 1.1122 0.8756 N.ar 1 UNL1 -0.5612 38 C 7.6107 1.1050 0.8421 C.ar 1 UNL1 0.3153 39 N 8.4045 0.0753 0.4706 N.ar 1 UNL1 -0.5648 40 H -4.5164 -4.0468 -0.9717 H 1 UNL1 0.3454 41 H -0.5174 -3.5959 0.3898 H 1 UNL1 0.2034 42 H -1.0863 -1.2221 1.0495 H 1 UNL1 0.1777 43 H -6.9764 -0.2297 0.1867 H 1 UNL1 0.1670 44 H -6.4771 -1.1800 1.6264 H 1 UNL1 0.1453 45 H -7.7648 0.3091 2.8425 H 1 UNL1 0.3096 46 H -5.6348 1.3941 2.4062 H 1 UNL1 0.1664 47 H -5.9495 1.8215 -0.4206 H 1 UNL1 0.1716 48 H -3.8339 3.0539 0.8786 H 1 UNL1 0.3271 49 H -4.2901 0.2707 -1.2277 H 1 UNL1 0.1824 50 H -2.4626 0.4324 1.2893 H 1 UNL1 0.1586 51 H -0.6250 3.0488 -0.7422 H 1 UNL1 0.3308 52 H 0.7796 0.3522 -2.1132 H 1 UNL1 0.1416 53 H 0.3199 -1.0045 -1.0403 H 1 UNL1 0.1574 54 H 0.4129 0.8805 0.9330 H 1 UNL1 0.1687 55 H 1.6299 2.4474 -1.3211 H 1 UNL1 0.1599 56 H 1.9049 3.5322 1.0680 H 1 UNL1 0.3621 57 H 3.8862 1.7273 -0.9338 H 1 UNL1 0.1539 58 H 4.7566 2.6073 1.0234 H 1 UNL1 0.3808 59 H 3.2644 0.6211 1.9099 H 1 UNL1 0.1684 60 H 3.3695 -2.2785 -0.1828 H 1 UNL1 0.2133 61 H 9.6633 -1.9945 -0.2837 H 1 UNL1 0.3264 62 H 8.2860 -2.9976 -0.5899 H 1 UNL1 0.3309 63 H 8.1245 2.0347 1.1486 H 1 UNL1 0.2046 @BOND 1 19 18 2 2 52 22 1 3 18 20 1 4 18 21 1 5 18 16 1 6 20 51 1 7 55 25 1 8 49 15 1 9 22 53 1 10 22 21 1 11 22 23 1 12 40 4 1 13 57 27 1 14 5 6 2 15 16 15 1 16 62 34 1 17 4 6 ar 18 4 2 ar 19 47 13 1 20 3 2 2 21 15 13 1 22 15 17 1 23 6 7 ar 24 34 61 1 25 34 33 1 26 25 27 1 27 25 23 1 28 25 26 1 29 32 31 ar 30 32 35 ar 31 2 1 ar 32 60 31 1 33 31 30 ar 34 27 28 1 35 27 29 1 36 23 24 1 37 23 54 1 38 33 35 ar 39 33 39 ar 40 35 36 ar 41 43 9 1 42 7 41 1 43 7 8 ar 44 13 14 1 45 13 11 1 46 1 8 ar 47 1 17 1 48 30 36 ar 49 30 29 1 50 24 29 1 51 39 38 ar 52 36 37 ar 53 26 56 1 54 8 42 1 55 14 48 1 56 28 58 1 57 29 59 1 58 17 50 1 59 17 12 1 60 38 37 ar 61 38 63 1 62 9 11 1 63 9 44 1 64 9 10 1 65 11 12 1 66 11 46 1 67 10 45 1