@MOLECULE (2r)-2-[(1r)-1-(6-amino-9h-purin-9-yl)-2-oxoethoxy]-3-oxopropyl trihydrogen diphosphate 40 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.1109 2.2755 0.0479 C.3 1 UNL1 -0.0448 2 C 2.2602 1.9475 0.0256 C.3 1 UNL1 0.1743 3 C 2.2559 0.0027 -1.6663 C.ar 1 UNL1 0.1469 4 C 4.5935 -1.3443 1.8812 C.ar 1 UNL1 0.3053 5 C -0.4664 0.8454 0.5145 C.3 1 UNL1 -0.0153 6 H 4.8986 -4.4822 -0.3892 H 1 UNL1 0.3256 7 H 3.9586 -3.8314 -1.6883 H 1 UNL1 0.3297 8 C 4.1847 -2.5777 -0.0807 C.ar 1 UNL1 0.4658 9 O -2.2696 -0.4198 2.8331 O.2 1 UNL1 -0.1783 10 O -4.4303 -2.7730 -0.6956 O.2 1 UNL1 -0.1810 11 O -1.1823 2.2141 -2.0938 O.2 1 UNL1 -0.4149 12 O 3.3726 4.0399 0.1053 O.2 1 UNL1 -0.3670 13 O -3.9641 1.1782 1.7897 O.3 1 UNL1 -0.2920 14 O -2.6261 -1.3779 -1.7823 O.3 1 UNL1 -0.3532 15 O -4.7614 -0.2026 -1.1378 O.3 1 UNL1 -0.4252 16 O -1.8891 0.9316 0.5744 O.3 1 UNL1 -0.3949 17 O -3.3481 -1.0862 0.7024 O.3 1 UNL1 -0.1308 18 O 1.1068 2.3135 -0.6812 O.3 1 UNL1 -0.3776 19 H -4.3775 1.3915 0.8681 H 1 UNL1 0.3241 20 H -2.1100 -0.4988 -1.6625 H 1 UNL1 0.3304 21 H -5.1404 -0.3179 -2.0735 H 1 UNL1 0.3210 22 C -1.1555 2.7017 -0.9962 C.2 1 UNL1 0.3664 23 C 3.3225 2.9798 -0.4509 C.2 1 UNL1 0.3117 24 N 4.3658 -3.7271 -0.7776 N.pl3 1 UNL1 -0.5471 25 N 2.7465 -1.2274 -1.7648 N.ar 1 UNL1 -0.3336 26 N 3.9116 -0.2380 1.5090 N.ar 1 UNL1 -0.5165 27 N 4.7541 -2.4802 1.1607 N.ar 1 UNL1 -0.5689 28 P -2.8128 0.1082 1.6023 P.3 1 UNL1 0.3797 29 P -3.8391 -1.4546 -0.7668 P.3 1 UNL1 0.3834 30 C 3.3512 -0.3305 0.2783 C.ar 1 UNL1 0.2838 31 C 3.4391 -1.4769 -0.5799 C.ar 1 UNL1 -0.2019 32 N 2.6051 0.6055 -0.4241 N.ar 1 UNL1 -0.4020 33 H -0.1991 0.0972 -0.2640 H 1 UNL1 0.1453 34 H 0.0471 0.5827 1.4576 H 1 UNL1 0.1420 35 H -0.0517 2.9912 0.8930 H 1 UNL1 0.1493 36 H -1.8670 3.4689 -0.6778 H 1 UNL1 0.1178 37 H 2.1515 1.9674 1.1414 H 1 UNL1 0.1829 38 H 3.9763 2.6857 -1.2740 H 1 UNL1 0.1400 39 H 1.6496 0.5225 -2.3985 H 1 UNL1 0.2163 40 H 5.0738 -1.3244 2.8760 H 1 UNL1 0.2031 @BOND 1 39 3 1 2 11 22 2 3 21 15 1 4 14 20 1 5 14 29 1 6 25 3 ar 7 25 31 ar 8 7 24 1 9 3 32 ar 10 38 23 1 11 15 29 1 12 22 36 1 13 22 1 1 14 24 6 1 15 24 8 1 16 29 10 2 17 29 17 1 18 18 2 1 19 18 1 1 20 31 8 ar 21 31 30 ar 22 23 2 1 23 23 12 2 24 32 2 1 25 32 30 ar 26 33 5 1 27 8 27 ar 28 2 37 1 29 1 5 1 30 1 35 1 31 30 26 ar 32 5 16 1 33 5 34 1 34 16 28 1 35 17 28 1 36 19 13 1 37 27 4 ar 38 26 4 ar 39 28 13 1 40 28 9 2 41 4 40 1