@MOLECULE 9-(5-o-phosphono-d-ribofuranosyl)-7,9-dihydro-1h-purine-2,6,8(3h)-trione 25 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 5.0526 -1.2844 -0.5118 P.3 1 UNL1 0.3903 2 O 0.5117 0.7050 -0.5907 O.3 1 UNL1 -0.0881 3 O -0.8569 2.5023 2.1125 O.2 1 UNL1 -0.2679 4 O 2.1318 2.2837 2.1389 O.2 1 UNL1 -0.3198 5 O 3.8933 0.2879 -0.7130 O.3 1 UNL1 -0.0501 6 O -2.0203 2.4778 -2.0996 O.2 1 UNL1 -0.2574 7 O -6.0203 -1.0627 -0.8211 O.2 1 UNL1 -0.2481 8 O -3.3586 -2.7617 2.1722 O.2 1 UNL1 -0.2559 9 O 5.1287 -1.4023 -1.9379 O.2 1 UNL1 -0.2085 10 O 4.2659 -2.0519 0.4820 O.3 1 UNL1 -0.1622 11 O 5.9539 -0.6196 0.4579 O.3 1 UNL1 -0.1322 12 N -1.7772 0.8801 -0.3879 N.am 1 UNL1 -0.4641 13 N -3.7186 0.8353 -1.7146 N.am 1 UNL1 -0.2690 14 N -2.3252 -1.0755 0.9590 N.2 1 UNL1 -0.4451 15 N -4.2387 -2.2170 0.1018 N.am 1 UNL1 -0.3846 16 C -0.5369 1.2175 0.1077 C.3 1 UNL1 0.1090 17 C -0.1588 1.9381 1.3238 C.2 1 UNL1 0.3086 18 C 1.3782 1.8262 1.3359 C.2 1 UNL1 0.4018 19 C 1.6793 1.0434 0.1368 C.3 1 UNL1 -0.3279 20 C 2.8478 0.6159 -0.3184 C.3 1 UNL1 0.5236 21 C -2.5471 -0.1908 0.0511 C.3 1 UNL1 0.3391 22 C -2.4496 1.5471 -1.5122 C.2 1 UNL1 0.6329 23 C -3.8030 -0.1094 -0.8522 C.2 1 UNL1 0.0391 24 C -4.8634 -1.1414 -0.5390 C.2 1 UNL1 0.5104 25 C -3.3395 -2.0730 1.2008 C.1 1 UNL1 0.6260 @BOND 1 6 22 2 2 9 1 2 3 13 22 1 4 13 23 2 5 22 12 am 6 23 24 1 7 23 21 1 8 7 24 2 9 5 1 1 10 5 20 1 11 2 16 1 12 2 19 1 13 24 15 am 14 1 11 1 15 1 10 1 16 12 21 1 17 12 16 1 18 20 19 1 19 21 14 1 20 15 25 am 21 16 17 1 22 19 18 1 23 14 25 2 24 25 8 2 25 17 18 1 26 17 3 2 27 18 4 2