@MOLECULE (2r,3s,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2r,3s,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosphate 66 71 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.0829 -2.7645 0.3720 P.3 2 G2 0.3634 2 O4* -2.1228 -2.1533 -0.9770 O.3 1 G1 -0.4400 3 O4* 4.7219 0.4457 -0.7596 O.3 2 G2 -0.4192 4 O3* 0.7188 -1.9335 0.3146 O.3 1 G1 -0.2686 5 O5* 3.1161 -1.5778 0.0460 O.3 2 G2 -0.2998 6 O3* 7.0804 0.2260 1.5063 O.3 2 G2 -0.5394 7 O5* -2.9021 -4.8202 -1.0198 O.3 1 G1 -0.5211 8 O1P 2.0525 -3.3596 -1.1122 O.3 2 G2 -0.3422 9 O2P 2.3526 -3.6466 1.4860 O.2 2 G2 -0.2747 10 O6 -7.5475 1.5914 0.8602 O.2 1 G1 -0.4057 11 O6 -0.9333 3.2102 -0.2258 O.2 2 G2 -0.5052 12 N9 -3.5930 -0.7389 0.1505 N.ar 1 G1 -0.3942 13 N9 3.6431 2.4798 -0.4593 N.ar 2 G2 -0.4064 14 N3 -3.4937 1.7521 0.1298 N.ar 1 G1 -0.5392 15 N7 -5.8171 -0.9661 0.5328 N.ar 1 G1 -0.2713 16 N3 2.1254 0.7729 -1.4865 N.ar 2 G2 -0.4934 17 N7 2.0442 3.9620 0.1903 N.ar 2 G2 -0.2589 18 N1 -5.6532 2.7971 0.5128 N.ar 1 G1 -0.6522 19 N1 -0.2209 1.2783 -1.1420 N.ar 2 G2 -0.7043 20 N2 -3.7493 4.0893 0.0614 N.pl3 1 G1 -0.6097 21 N2 0.4239 -0.6582 -2.3015 N.pl3 2 G2 -0.5467 22 C3* -0.5302 -2.4953 0.7808 C.3 1 G1 0.1009 23 C2* -1.3300 -1.2158 1.0803 C.3 1 G1 -0.3711 24 C4* -1.2949 -3.1542 -0.3876 C.3 1 G1 0.0209 25 C1* -2.2011 -0.9951 -0.1693 C.3 1 G1 0.2932 26 C4* 4.9575 -0.2594 0.4588 C.3 2 G2 0.0295 27 C3* 5.7552 0.6873 1.3869 C.3 2 G2 0.1257 28 C1* 4.9531 1.8264 -0.6168 C.3 2 G2 0.3104 29 C2* 5.8540 2.0144 0.6120 C.3 2 G2 -0.3676 30 C5* 3.6094 -0.6825 1.0630 C.3 2 G2 -0.0672 31 C5* -2.1967 -4.3027 0.0846 C.3 1 G1 -0.0467 32 C4 -4.1398 0.5395 0.2084 C.ar 1 G1 0.2394 33 C4 2.4136 1.9466 -0.8162 C.ar 2 G2 0.2512 34 C8 -4.6811 -1.6332 0.3370 C.ar 1 G1 0.0714 35 C8 3.3542 3.7328 0.1560 C.ar 2 G2 0.0693 36 C5 -5.5209 0.3848 0.4678 C.ar 1 G1 -0.1745 37 C5 1.4251 2.8720 -0.3943 C.ar 2 G2 -0.1903 38 C6 -6.3673 1.5757 0.6326 C.ar 1 G1 0.6283 39 C6 0.0167 2.5437 -0.5646 C.ar 2 G2 0.6715 40 C2 -4.3684 2.8747 0.2513 C.ar 1 G1 0.6061 41 C2 0.7393 0.4838 -1.5890 C.ar 2 G2 0.6089 42 H3* -0.4344 -3.1563 1.6691 H 1 G1 0.1539 43 H2*1 -0.6650 -0.3456 1.2599 H 1 G1 0.1922 44 H2*2 -1.9316 -1.3187 2.0012 H 1 G1 0.1821 45 H4* -0.6568 -3.4828 -1.2396 H 1 G1 0.1747 46 H1* -1.8351 -0.1615 -0.8368 H 1 G1 0.1918 47 H4* 5.5598 -1.1376 0.1260 H 2 G2 0.1827 48 H3* 5.3098 0.8045 2.3948 H 2 G2 0.1332 49 H1* 5.4033 2.1393 -1.5945 H 2 G2 0.1701 50 H2*1 6.9105 2.1837 0.3033 H 2 G2 0.1998 51 H2*2 5.5863 2.8779 1.2400 H 2 G2 0.1746 52 H5*1 2.9061 0.1713 1.1515 H 2 G2 0.1467 53 H5*2 3.7552 -1.1355 2.0649 H 2 G2 0.1507 54 H5*1 -1.6070 -5.1662 0.4484 H 1 G1 0.1531 55 H5*2 -2.9125 -3.9866 0.8641 H 1 G1 0.1282 56 H3* 7.1489 -0.5029 2.1563 H 2 G2 0.3235 57 H8 -4.5587 -2.6984 0.3075 H 1 G1 0.1852 58 H8 4.1268 4.3930 0.5082 H 2 G2 0.1957 59 H3 -2.5347 1.8504 -0.2107 H 1 G1 0.3647 60 H5* -3.4276 -4.0971 -1.4354 H 1 G1 0.3261 61 H3 2.8323 0.0402 -1.5360 H 2 G2 0.3564 62 H1P 2.9591 -3.8001 -1.3102 H 2 G2 0.3267 63 H21 -2.7436 4.1280 0.0240 H 1 G1 0.3387 64 H22 -4.2544 4.9234 0.2972 H 1 G1 0.3278 65 H21 1.0887 -1.4152 -2.3074 H 2 G2 0.3108 66 H22 -0.5398 -0.9758 -2.2245 H 2 G2 0.3303 @BOND 1 65 21 1 2 21 66 1 3 21 41 1 4 49 28 1 5 41 16 ar 6 41 19 ar 7 61 16 1 8 16 33 ar 9 60 7 1 10 62 8 1 11 45 24 1 12 19 39 ar 13 8 1 1 14 7 31 1 15 2 24 1 16 2 25 1 17 46 25 1 18 33 13 ar 19 33 37 ar 20 3 28 1 21 3 26 1 22 28 13 1 23 28 29 1 24 39 37 ar 25 39 11 2 26 13 35 ar 27 37 17 ar 28 24 31 1 29 24 22 1 30 59 14 1 31 25 12 1 32 25 23 1 33 63 20 1 34 5 1 1 35 5 30 1 36 20 40 1 37 20 64 1 38 31 54 1 39 31 55 1 40 47 26 1 41 14 32 ar 42 14 40 ar 43 12 32 ar 44 12 34 ar 45 35 17 ar 46 35 58 1 47 32 36 ar 48 40 18 ar 49 50 29 1 50 57 34 1 51 4 1 1 52 4 22 1 53 34 15 ar 54 1 9 2 55 26 30 1 56 26 27 1 57 36 15 ar 58 36 38 ar 59 18 38 ar 60 29 51 1 61 29 27 1 62 38 10 2 63 22 23 1 64 22 42 1 65 30 52 1 66 30 53 1 67 23 43 1 68 23 44 1 69 27 6 1 70 27 48 1 71 6 56 1