@MOLECULE [(1r,2r,3s,4r)-2,3-dihydroxy-4-(6-oxo-3,6-dihydro-9h-purin-9-yl)cyclopentyl]methyl dihydrogen phosphate 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 4.6404 1.1949 0.3672 P.3 1 UNL1 0.3485 2 O -1.0641 -3.1242 0.1544 O.3 1 UNL1 -0.5672 3 O 1.3787 -3.5608 -0.5197 O.3 1 UNL1 -0.5384 4 O 3.4486 0.1594 0.5042 O.3 1 UNL1 -0.2182 5 O 4.2343 2.0357 -0.9262 O.3 1 UNL1 -0.3289 6 O 5.8999 0.3963 -0.2171 O.3 1 UNL1 -0.4233 7 O 4.8136 1.8796 1.6348 O.2 1 UNL1 -0.2536 8 O -5.8548 2.2129 -0.6995 O.2 1 UNL1 -0.3621 9 N -1.7785 0.0417 -0.2113 N.ar 1 UNL1 -0.3405 10 N -2.9116 1.5715 -1.4497 N.ar 1 UNL1 -0.2675 11 N -3.6506 -0.5970 1.3289 N.ar 1 UNL1 -0.5135 12 N -5.6712 0.6243 0.9278 N.ar 1 UNL1 -0.5297 13 C -0.7164 -0.8140 0.2838 C.3 1 UNL1 0.0394 14 C 1.6865 -1.2117 0.0595 C.3 1 UNL1 -0.1862 15 C 0.6529 -0.1081 0.3243 C.3 1 UNL1 -0.2966 16 C -0.5392 -2.0688 -0.6186 C.3 1 UNL1 0.0552 17 C 0.9900 -2.2544 -0.8367 C.3 1 UNL1 0.0963 18 C 2.9563 -0.6447 -0.5962 C.3 1 UNL1 -0.0304 19 C -3.0715 0.0998 0.2852 C.ar 1 UNL1 0.2176 20 C -1.7388 0.9584 -1.2978 C.ar 1 UNL1 0.0689 21 C -3.7626 1.0722 -0.4800 C.ar 1 UNL1 -0.1716 22 C -5.1515 1.4013 -0.1655 C.ar 1 UNL1 0.5959 23 C -5.0087 -0.2714 1.5735 C.ar 1 UNL1 0.3123 24 H -0.9815 -1.1631 1.3220 H 1 UNL1 0.1691 25 H 1.9773 -1.6923 1.0278 H 1 UNL1 0.1681 26 H 0.8335 0.3895 1.2962 H 1 UNL1 0.1772 27 H 0.7311 0.7075 -0.4182 H 1 UNL1 0.1699 28 H -1.1018 -2.0033 -1.5704 H 1 UNL1 0.1442 29 H 1.2707 -2.1699 -1.9082 H 1 UNL1 0.1539 30 H 2.7270 -0.0621 -1.5079 H 1 UNL1 0.1376 31 H 3.6739 -1.4515 -0.8462 H 1 UNL1 0.1368 32 H -0.9855 -3.9780 -0.3301 H 1 UNL1 0.3424 33 H 1.1967 -3.7665 0.4261 H 1 UNL1 0.3278 34 H -0.8560 1.1154 -1.8916 H 1 UNL1 0.1964 35 H -3.2016 -1.4124 1.7159 H 1 UNL1 0.3295 36 H -5.4710 -0.8364 2.4004 H 1 UNL1 0.1918 37 H 5.0604 2.5628 -1.2368 H 1 UNL1 0.3202 38 H 6.4632 0.0363 0.5523 H 1 UNL1 0.3286 @BOND 1 29 17 1 2 34 20 1 3 28 16 1 4 30 18 1 5 10 20 ar 6 10 21 ar 7 20 9 ar 8 37 5 1 9 5 1 1 10 31 18 1 11 17 16 1 12 17 3 1 13 17 14 1 14 8 22 2 15 16 2 1 16 16 13 1 17 18 14 1 18 18 4 1 19 3 33 1 20 21 22 ar 21 21 19 ar 22 27 15 1 23 32 2 1 24 6 1 1 25 6 38 1 26 9 13 1 27 9 19 ar 28 22 12 ar 29 14 15 1 30 14 25 1 31 13 15 1 32 13 24 1 33 19 11 ar 34 15 26 1 35 1 4 1 36 1 7 2 37 12 23 ar 38 11 23 ar 39 11 35 1 40 23 36 1