@MOLECULE (2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl hydrogen phosphate 65 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.1002 -1.3917 -0.2374 P.3 2 C2 0.3619 2 O4* -0.0407 -3.3594 1.1606 O.3 1 G1 -0.4097 3 O4* -1.9568 1.3653 -0.2769 O.3 2 C2 -0.4403 4 O3* -2.7328 -1.5237 0.6226 O.3 1 G1 -0.3488 5 O2* -0.8554 -0.2078 1.8546 O.3 1 G1 -0.5524 6 O5* -4.6066 0.0590 0.2099 O.3 2 C2 -0.2815 7 O3* -3.4236 4.1436 1.1273 O.3 2 C2 -0.5390 8 O2* -1.0086 4.6966 0.3610 O.3 2 C2 -0.5670 9 O5* -0.4997 -5.3690 -0.8045 O.3 1 G1 -0.5242 10 O2P -5.0654 -2.2553 0.6766 O.3 2 C2 -0.2258 11 O1P -4.0628 -1.7553 -1.6389 O.2 2 C2 -0.2499 12 O2 1.3875 3.4646 0.2769 O.2 2 C2 -0.5997 13 O6 6.0373 -0.6509 -0.4985 O.2 1 G1 -0.4240 14 N9 1.8433 -2.0550 0.8886 N.ar 1 G1 -0.3981 15 N1 0.1943 1.9859 -0.9664 N.ar 2 C2 -0.5041 16 N3 2.5652 0.2650 1.4978 N.ar 1 G1 -0.5351 17 N7 3.7280 -2.6864 -0.2065 N.ar 1 G1 -0.2855 18 N3 2.5927 2.1306 -1.1526 N.ar 2 C2 -0.6203 19 N1 4.8292 0.7626 0.7998 N.ar 1 G1 -0.6262 20 N2 3.5675 2.3486 2.0215 N.pl3 1 G1 -0.5834 21 N4 3.7483 0.6787 -2.5053 N.pl3 2 C2 -0.5202 22 C3* -1.4839 -1.8017 0.0026 C.3 1 G1 0.0699 23 C2* -0.4034 -1.0089 0.8007 C.3 1 G1 0.0473 24 C1* 0.4913 -2.0992 1.4545 C.3 1 G1 0.2647 25 C4* -1.1302 -3.2878 0.2355 C.3 1 G1 0.0205 26 C4* -3.1715 1.9651 0.2045 C.3 2 C2 0.0330 27 C3* -3.0599 3.4949 -0.0591 C.3 2 C2 0.0798 28 C2* -1.5714 3.7012 -0.4491 C.3 2 C2 0.0378 29 C1* -0.9333 2.3242 -0.1003 C.3 2 C2 0.2263 30 C5* -0.6934 -3.9950 -1.0512 C.3 1 G1 -0.0443 31 C5* -4.2975 1.2507 -0.5351 C.3 2 C2 -0.0359 32 C4 2.7318 -0.9907 0.9510 C.ar 1 G1 0.2272 33 C8 2.5119 -3.0805 0.1678 C.ar 1 G1 0.0949 34 C5 3.9023 -1.3973 0.2648 C.ar 1 G1 -0.1847 35 C6 0.1375 1.0282 -1.9418 C.ar 2 C2 0.1895 36 C2 1.4595 2.6004 -0.5876 C.ar 2 C2 0.7291 37 C6 5.0357 -0.4780 0.1466 C.ar 1 G1 0.6174 38 C2 3.7122 1.1068 1.3902 C.ar 1 G1 0.6071 39 C5 1.2951 0.5802 -2.5261 C.ar 2 C2 -0.4685 40 C4 2.5472 1.1245 -2.0651 C.ar 2 C2 0.5028 41 H3* -1.4233 -1.5269 -1.0773 H 1 G1 0.1470 42 H2* 0.1672 -0.3368 0.1256 H 1 G1 0.1430 43 H1* 0.5335 -2.0331 2.5733 H 1 G1 0.1833 44 H4* -1.9364 -3.8563 0.7589 H 1 G1 0.1862 45 H4* -3.2238 1.7753 1.3046 H 2 C2 0.1660 46 H3* -3.7638 3.8679 -0.8280 H 2 C2 0.1496 47 H2* -1.4383 3.9980 -1.5070 H 2 C2 0.1521 48 H1* -0.5979 2.2795 0.9752 H 2 C2 0.1747 49 H5*1 -1.4974 -3.9843 -1.8152 H 1 G1 0.1638 50 H5*2 0.2322 -3.5662 -1.4750 H 1 G1 0.1276 51 H5*1 -4.0732 1.1216 -1.6124 H 2 C2 0.1518 52 H5*2 -5.2614 1.8062 -0.4345 H 2 C2 0.1573 53 H2* -1.8166 0.0009 1.7403 H 1 G1 0.3613 54 H8 2.0616 -4.0422 -0.0111 H 1 G1 0.1988 55 H3* -2.6413 4.6206 1.5083 H 2 C2 0.3550 56 H2* -0.0356 4.4935 0.4792 H 2 C2 0.3780 57 H6 -0.8560 0.6373 -2.2162 H 2 C2 0.1908 58 H5* 0.1398 -5.4914 -0.0699 H 1 G1 0.3189 59 H3 1.7380 0.5112 2.0240 H 1 G1 0.3438 60 H2P -4.9692 -1.9271 1.6562 H 2 C2 0.3142 61 H5 1.2822 -0.1632 -3.3132 H 2 C2 0.1961 62 H21 2.7326 2.8672 1.7540 H 1 G1 0.3157 63 H22 4.3969 2.9369 1.9488 H 1 G1 0.3146 64 H41 3.8279 -0.1501 -3.0634 H 2 C2 0.3215 65 H42 4.5991 1.0111 -2.0548 H 2 C2 0.3483 @BOND 1 61 39 1 2 64 21 1 3 39 40 ar 4 39 35 ar 5 21 40 1 6 21 65 1 7 57 35 1 8 40 18 ar 9 35 15 ar 10 49 30 1 11 11 1 2 12 51 31 1 13 47 28 1 14 50 30 1 15 18 36 ar 16 41 22 1 17 30 9 1 18 30 25 1 19 15 36 ar 20 15 29 1 21 46 27 1 22 9 58 1 23 36 12 2 24 31 52 1 25 31 26 1 26 31 6 1 27 13 37 2 28 28 29 1 29 28 27 1 30 28 8 1 31 3 29 1 32 3 26 1 33 1 6 1 34 1 4 1 35 1 10 1 36 17 33 ar 37 17 34 ar 38 29 48 1 39 27 26 1 40 27 7 1 41 54 33 1 42 22 25 1 43 22 4 1 44 22 23 1 45 42 23 1 46 37 34 ar 47 37 19 ar 48 33 14 ar 49 26 45 1 50 25 44 1 51 25 2 1 52 34 32 ar 53 8 56 1 54 10 60 1 55 19 38 ar 56 23 24 1 57 23 5 1 58 14 32 ar 59 14 24 1 60 32 16 ar 61 7 55 1 62 2 24 1 63 38 16 ar 64 38 20 1 65 24 43 1 66 16 59 1 67 53 5 1 68 62 20 1 69 63 20 1