@MOLECULE [(2s,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)tetrahydro-2-furanyl]methyl trihydrogen diphosphate 41 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.9652 -1.1192 -0.0560 P.3 1 UNL1 0.3683 2 P 3.6077 1.9527 -0.0356 P.3 1 UNL1 0.3945 3 O -0.4097 -1.8382 1.1234 O.3 1 UNL1 -0.3965 4 O 2.5184 -1.6534 0.3022 O.3 1 UNL1 -0.1820 5 O 3.9994 0.4313 0.1304 O.3 1 UNL1 -0.3281 6 O 4.0495 -1.3454 -1.6349 O.3 1 UNL1 -0.3769 7 O -4.7738 3.2280 -0.4275 O.2 1 UNL1 -0.3659 8 O 4.9637 -1.7360 0.7961 O.2 1 UNL1 -0.2102 9 O 4.8486 2.4812 -0.8899 O.3 1 UNL1 -0.3675 10 O 3.9943 2.4690 1.4099 O.3 1 UNL1 -0.2423 11 O 2.2707 2.2841 -0.4708 O.2 1 UNL1 -0.2262 12 N -2.2437 -0.5146 0.6557 N.ar 1 UNL1 -0.3892 13 N -4.6620 -0.8735 0.0825 N.ar 1 UNL1 -0.5372 14 N -2.1860 1.7382 0.3988 N.ar 1 UNL1 -0.2845 15 N -5.8142 1.2068 -0.4244 N.ar 1 UNL1 -0.6149 16 N -7.0110 -0.8034 -0.2400 N.pl3 1 UNL1 -0.6100 17 C -1.7852 -1.8963 0.8726 C.3 1 UNL1 0.2978 18 C 0.3530 -2.3444 0.0137 C.3 1 UNL1 0.0878 19 C -2.0031 -2.7809 -0.3724 C.3 1 UNL1 -0.3423 20 C -0.6409 -2.7618 -1.0787 C.3 1 UNL1 -0.3098 21 C 1.3302 -1.2419 -0.4207 C.3 1 UNL1 -0.0700 22 C -3.5204 -0.1053 0.3006 C.ar 1 UNL1 0.1887 23 C -1.4567 0.6657 0.7084 C.ar 1 UNL1 0.1120 24 C -3.4702 1.2980 0.1358 C.ar 1 UNL1 -0.1568 25 C -4.6693 2.0475 -0.2471 C.ar 1 UNL1 0.6165 26 C -5.8153 -0.0760 -0.2114 C.ar 1 UNL1 0.5711 27 H -2.2435 -2.2867 1.8151 H 1 UNL1 0.1492 28 H 0.8967 -3.2146 0.4565 H 1 UNL1 0.1628 29 H -2.8072 -2.4104 -1.0310 H 1 UNL1 0.1700 30 H -2.2901 -3.8042 -0.0756 H 1 UNL1 0.1574 31 H -0.3843 -3.7421 -1.5120 H 1 UNL1 0.1560 32 H -0.6473 -2.0489 -1.9242 H 1 UNL1 0.1610 33 H 0.9926 -0.2452 -0.0600 H 1 UNL1 0.1681 34 H 1.4480 -1.2036 -1.5196 H 1 UNL1 0.1469 35 H -0.4105 0.6548 0.9890 H 1 UNL1 0.2212 36 H -4.7649 -1.7599 0.5567 H 1 UNL1 0.3179 37 H -6.9932 -1.7196 -0.6491 H 1 UNL1 0.2921 38 H -7.8283 -0.2605 -0.5011 H 1 UNL1 0.3199 39 H 5.0017 -1.1385 -1.9419 H 1 UNL1 0.3175 40 H 4.6826 2.2737 -1.8757 H 1 UNL1 0.3145 41 H 4.8622 1.9844 1.7056 H 1 UNL1 0.3190 @BOND 1 39 6 1 2 32 20 1 3 40 9 1 4 6 1 1 5 34 21 1 6 31 20 1 7 20 19 1 8 20 18 1 9 29 19 1 10 9 2 1 11 37 16 1 12 38 16 1 13 11 2 2 14 7 25 2 15 15 25 ar 16 15 26 ar 17 21 33 1 18 21 18 1 19 21 4 1 20 19 30 1 21 19 17 1 22 25 24 ar 23 16 26 1 24 26 13 ar 25 1 5 1 26 1 4 1 27 1 8 2 28 2 5 1 29 2 10 1 30 18 28 1 31 18 3 1 32 13 22 ar 33 13 36 1 34 24 22 ar 35 24 14 ar 36 22 12 ar 37 14 23 ar 38 12 23 ar 39 12 17 1 40 23 35 1 41 17 3 1 42 17 27 1 43 10 41 1