@MOLECULE [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-phenylacetate 52 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.2695 -2.5689 0.8132 P.3 1 UNL1 0.3910 2 O -1.3067 -1.4208 -2.3479 O.3 1 UNL1 -0.4172 3 O -0.4686 1.5904 -3.2905 O.3 1 UNL1 -0.5374 4 O 1.5786 0.1926 -2.5681 O.3 1 UNL1 -0.5919 5 O 1.2742 -2.8526 -0.3804 O.3 1 UNL1 -0.2159 6 O 2.4363 -0.9670 0.9535 O.3 1 UNL1 -0.4502 7 O 1.4961 -2.7619 2.1867 O.3 1 UNL1 -0.2874 8 O 3.4730 -3.3540 0.6766 O.2 1 UNL1 -0.1555 9 O 3.6033 -0.1723 -0.8226 O.2 1 UNL1 -0.5350 10 N -2.8747 -0.0511 -1.3367 N.ar 1 UNL1 -0.3696 11 N -4.9736 -0.2997 -0.4697 N.ar 1 UNL1 -0.3398 12 N -1.6633 0.3686 0.8090 N.ar 1 UNL1 -0.5383 13 N -3.1391 0.4153 2.7283 N.ar 1 UNL1 -0.5745 14 N -5.4397 0.0211 2.5938 N.pl3 1 UNL1 -0.5479 15 C -0.6639 0.8882 -2.0980 C.3 1 UNL1 0.0804 16 C 0.5223 -0.0133 -1.6666 C.3 1 UNL1 0.0745 17 C -1.8252 -0.1155 -2.3554 C.3 1 UNL1 0.2508 18 C 0.0242 -1.4627 -1.8312 C.3 1 UNL1 0.0471 19 C -0.0351 -2.2673 -0.5241 C.3 1 UNL1 -0.0804 20 C -2.7530 0.1085 0.0363 C.ar 1 UNL1 0.2989 21 C -4.2494 -0.3246 -1.5837 C.ar 1 UNL1 0.1421 22 C -4.0827 -0.0300 0.5667 C.ar 1 UNL1 -0.2078 23 C -4.2422 0.1331 1.9673 C.ar 1 UNL1 0.4636 24 C -1.9340 0.5209 2.1226 C.ar 1 UNL1 0.2904 25 C 3.2607 -0.1118 0.3310 C.2 1 UNL1 0.7034 26 C 3.6238 1.0005 1.2934 C.3 1 UNL1 -0.3664 27 C 2.7501 2.1776 0.9874 C.ar 1 UNL1 0.0076 28 C 3.3057 3.3707 0.5268 C.ar 1 UNL1 -0.1687 29 C 1.3660 2.0643 1.1422 C.ar 1 UNL1 -0.1670 30 C 2.4750 4.4441 0.2087 C.ar 1 UNL1 -0.1408 31 C 0.5400 3.1353 0.8148 C.ar 1 UNL1 -0.1277 32 C 1.0936 4.3261 0.3458 C.ar 1 UNL1 -0.1481 33 H -0.9101 1.6638 -1.3404 H 1 UNL1 0.1674 34 H 0.8432 0.2376 -0.6337 H 1 UNL1 0.1535 35 H -2.2887 0.0133 -3.3678 H 1 UNL1 0.1743 36 H 0.6077 -2.0023 -2.6160 H 1 UNL1 0.1778 37 H -0.6867 -3.1633 -0.6490 H 1 UNL1 0.1541 38 H -0.4344 -1.6675 0.3114 H 1 UNL1 0.1466 39 H 0.4041 1.3493 -3.6936 H 1 UNL1 0.3562 40 H 2.4398 -0.0120 -2.1252 H 1 UNL1 0.3764 41 H -4.6224 -0.5113 -2.5807 H 1 UNL1 0.2028 42 H -1.0795 0.7525 2.7836 H 1 UNL1 0.1970 43 H -5.5145 0.1509 3.5845 H 1 UNL1 0.3244 44 H -6.2658 -0.1858 2.0629 H 1 UNL1 0.3313 45 H 0.7984 -2.0134 2.2956 H 1 UNL1 0.3117 46 H 3.4981 0.6813 2.3520 H 1 UNL1 0.1885 47 H 4.7044 1.2309 1.1745 H 1 UNL1 0.1806 48 H 4.3822 3.4656 0.4018 H 1 UNL1 0.1519 49 H 0.9309 1.1312 1.5029 H 1 UNL1 0.1661 50 H 2.9090 5.3726 -0.1575 H 1 UNL1 0.1493 51 H -0.5405 3.0378 0.9167 H 1 UNL1 0.1561 52 H 0.4465 5.1600 0.0814 H 1 UNL1 0.1517 @BOND 1 39 3 1 2 35 17 1 3 3 15 1 4 36 18 1 5 41 21 1 6 4 40 1 7 4 16 1 8 17 2 1 9 17 15 1 10 17 10 1 11 2 18 1 12 15 16 1 13 15 33 1 14 18 16 1 15 18 19 1 16 16 34 1 17 21 10 ar 18 21 11 ar 19 10 20 ar 20 9 25 2 21 37 19 1 22 19 5 1 23 19 38 1 24 11 22 ar 25 5 1 1 26 50 30 1 27 20 22 ar 28 20 12 ar 29 52 32 1 30 30 32 ar 31 30 28 ar 32 25 6 1 33 25 26 1 34 32 31 ar 35 48 28 1 36 28 27 ar 37 22 23 ar 38 8 1 2 39 12 24 ar 40 1 6 1 41 1 7 1 42 31 51 1 43 31 29 ar 44 27 29 ar 45 27 26 1 46 29 49 1 47 47 26 1 48 26 46 1 49 23 14 1 50 23 13 ar 51 44 14 1 52 24 13 ar 53 24 42 1 54 7 45 1 55 14 43 1