@MOLECULE triphosphoric acid, mono[(2r)-2-[(1r)-1-(6-amino-9h-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] ester 45 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.7528 -1.5303 -0.2463 C.3 1 UNL1 0.1866 2 C 0.5755 -0.5604 -0.5427 C.3 1 UNL1 -0.0456 3 C 3.5798 0.3439 1.3277 C.ar 1 UNL1 0.1457 4 C 6.8302 -0.4579 -1.6129 C.ar 1 UNL1 0.3071 5 C 0.3386 0.8608 0.0189 C.3 1 UNL1 -0.0175 6 H 8.4849 2.3471 0.5039 H 1 UNL1 0.3264 7 H 7.1391 2.5613 1.5674 H 1 UNL1 0.3293 8 C 6.8728 1.1261 0.1269 C.ar 1 UNL1 0.4658 9 O -5.4028 1.6814 -1.4988 O.2 1 UNL1 -0.1243 10 O -1.4993 3.5735 0.3241 O.2 1 UNL1 -0.1979 11 O -5.5828 -1.6770 1.6126 O.2 1 UNL1 -0.2194 12 O 2.2405 -3.7841 0.3151 O.2 1 UNL1 -0.3621 13 O -1.4065 -1.6579 -1.2759 O.2 1 UNL1 -0.4898 14 O -3.4499 0.2798 -2.3325 O.3 1 UNL1 -0.3256 15 O -2.1474 1.7469 1.9349 O.3 1 UNL1 -0.3418 16 O -3.0306 -1.1444 1.5502 O.3 1 UNL1 -0.4879 17 O -4.0459 -2.6359 -0.1715 O.3 1 UNL1 -0.3209 18 O -3.2734 1.9739 -0.3743 O.3 1 UNL1 -0.1438 19 O 1.5242 -1.1813 0.3221 O.3 1 UNL1 -0.4019 20 O -4.6656 -0.1385 -0.0662 O.3 1 UNL1 -0.1734 21 O -1.0550 1.0297 -0.2338 O.3 1 UNL1 -0.3766 22 H -2.5114 -0.0325 -2.0363 H 1 UNL1 0.3397 23 H -2.5203 0.7844 1.9463 H 1 UNL1 0.3392 24 H -3.1008 -1.4739 2.5066 H 1 UNL1 0.3244 25 H -3.1694 -2.4117 -0.6723 H 1 UNL1 0.3380 26 C 3.0892 -2.9388 0.3165 C.2 1 UNL1 0.3049 27 C -0.6834 -1.4100 -0.3427 C.2 1 UNL1 0.4176 28 N 7.5579 2.0914 0.7882 N.pl3 1 UNL1 -0.5430 29 N 4.6629 1.0975 1.4861 N.ar 1 UNL1 -0.3325 30 N 5.5854 -0.9237 -1.3627 N.ar 1 UNL1 -0.5221 31 N 7.4841 0.5147 -0.9347 N.ar 1 UNL1 -0.5672 32 P -4.2163 0.9399 -1.1287 P.3 1 UNL1 0.4043 33 P -1.9417 2.2008 0.4356 P.3 1 UNL1 0.3758 34 P -4.4208 -1.4349 0.7801 P.3 1 UNL1 0.3945 35 C 4.9753 -0.3147 -0.3159 C.ar 1 UNL1 0.2811 36 C 5.5593 0.7221 0.4875 C.ar 1 UNL1 -0.2011 37 N 3.7163 -0.5405 0.2221 N.ar 1 UNL1 -0.3974 38 H 4.1140 -3.0975 0.6621 H 1 UNL1 0.1449 39 H -0.8507 -1.8122 0.6640 H 1 UNL1 0.1462 40 H 2.7507 -1.5611 -1.3695 H 1 UNL1 0.1774 41 H 2.6839 0.3655 1.9327 H 1 UNL1 0.2092 42 H 0.9023 -0.5444 -1.5995 H 1 UNL1 0.1547 43 H 0.6160 0.8948 1.0935 H 1 UNL1 0.1369 44 H 0.9306 1.6190 -0.5319 H 1 UNL1 0.1377 45 H 7.3753 -0.9169 -2.4577 H 1 UNL1 0.2045 @BOND 1 45 4 1 2 14 22 1 3 14 32 1 4 4 30 ar 5 4 31 ar 6 42 2 1 7 9 32 2 8 40 1 1 9 30 35 ar 10 13 27 2 11 32 18 1 12 32 20 1 13 31 8 ar 14 25 17 1 15 2 27 1 16 2 5 1 17 2 19 1 18 44 5 1 19 18 33 1 20 27 39 1 21 35 37 ar 22 35 36 ar 23 1 37 1 24 1 26 1 25 1 19 1 26 21 5 1 27 21 33 1 28 17 34 1 29 20 34 1 30 5 43 1 31 8 36 ar 32 8 28 1 33 37 3 ar 34 12 26 2 35 26 38 1 36 10 33 2 37 33 15 1 38 36 29 ar 39 6 28 1 40 34 16 1 41 34 11 2 42 28 7 1 43 3 29 ar 44 3 41 1 45 16 24 1 46 15 23 1