@MOLECULE 2-amino-7-phenyl-3,7-dihydro-6h-purin-6-one 26 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1440 2.1215 -0.0267 O.2 1 UNL1 -0.4216 2 N -0.5194 -0.9276 -0.0155 N.ar 1 UNL1 -0.1961 3 N 3.0351 -0.8099 -0.0460 N.ar 1 UNL1 -0.4986 4 N 1.1656 -2.4408 -0.0010 N.ar 1 UNL1 -0.4217 5 N 2.3448 1.5134 -0.0357 N.ar 1 UNL1 -0.6189 6 N 4.6098 0.9519 0.1262 N.pl3 1 UNL1 -0.6068 7 C 0.6629 -0.1981 -0.0253 C.ar 1 UNL1 -0.2357 8 C 1.6964 -1.1660 -0.0185 C.ar 1 UNL1 0.2572 9 C -1.8319 -0.3726 -0.0031 C.ar 1 UNL1 0.1245 10 C -0.1808 -2.2733 0.0000 C.ar 1 UNL1 0.1231 11 C 0.9592 1.2356 -0.0250 C.ar 1 UNL1 0.6220 12 C -2.4497 -0.1179 1.2249 C.ar 1 UNL1 -0.1466 13 C -2.4656 -0.0869 -1.2157 C.ar 1 UNL1 -0.1445 14 C 3.2715 0.5813 -0.0010 C.ar 1 UNL1 0.5806 15 C -3.7306 0.4279 1.2299 C.ar 1 UNL1 -0.1272 16 C -3.7468 0.4582 -1.1897 C.ar 1 UNL1 -0.1273 17 C -4.3771 0.7136 0.0277 C.ar 1 UNL1 -0.1328 18 H -0.9001 -3.0778 0.0103 H 1 UNL1 0.2009 19 H 3.7481 -1.5083 0.1057 H 1 UNL1 0.3382 20 H -1.9305 -0.3275 2.1595 H 1 UNL1 0.1707 21 H -1.9589 -0.2720 -2.1624 H 1 UNL1 0.1712 22 H -4.2232 0.6407 2.1781 H 1 UNL1 0.1573 23 H -4.2524 0.6949 -2.1253 H 1 UNL1 0.1574 24 H -5.3766 1.1462 0.0399 H 1 UNL1 0.1532 25 H 5.3109 0.3943 -0.3223 H 1 UNL1 0.2968 26 H 4.7875 1.9494 0.1014 H 1 UNL1 0.3244 @BOND 1 21 13 1 2 23 16 1 3 13 16 ar 4 13 9 ar 5 16 17 ar 6 25 6 1 7 3 8 ar 8 3 14 ar 9 3 19 1 10 5 11 ar 11 5 14 ar 12 1 11 2 13 7 11 ar 14 7 8 ar 15 7 2 ar 16 8 4 ar 17 2 9 1 18 2 10 ar 19 9 12 ar 20 14 6 1 21 4 10 ar 22 10 18 1 23 17 24 1 24 17 15 ar 25 26 6 1 26 12 15 ar 27 12 20 1 28 15 22 1