@MOLECULE 2-amino-9-phenyl-1,9-dihydro-6h-purin-6-one 26 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.0217 1.2802 -0.0759 O.2 1 UNL1 -0.3675 2 N 0.6016 0.8291 -0.0758 N.ar 1 UNL1 -0.3151 3 N -0.7712 -1.2649 0.0526 N.ar 1 UNL1 -0.5315 4 N -1.1055 2.3203 -0.2000 N.ar 1 UNL1 -0.2612 5 N -3.1573 -0.8186 0.0700 N.ar 1 UNL1 -0.6158 6 N -2.3491 -2.9930 0.4291 N.pl3 1 UNL1 -0.6076 7 C -0.5843 0.1072 -0.0252 C.ar 1 UNL1 0.2163 8 C -1.6383 1.0475 -0.0985 C.ar 1 UNL1 -0.1604 9 C 1.9182 0.3102 -0.0462 C.ar 1 UNL1 0.1478 10 C 0.2192 2.1975 -0.1854 C.ar 1 UNL1 0.0842 11 C -3.0342 0.6016 -0.0388 C.ar 1 UNL1 0.6187 12 C -2.1483 -1.6354 0.1685 C.ar 1 UNL1 0.5785 13 C 2.8681 0.9118 0.7878 C.ar 1 UNL1 -0.1832 14 C 2.2526 -0.7847 -0.8516 C.ar 1 UNL1 -0.2030 15 C 4.1630 0.4023 0.8123 C.ar 1 UNL1 -0.1095 16 C 3.5515 -1.2826 -0.8096 C.ar 1 UNL1 -0.1088 17 C 4.5047 -0.6931 0.0199 C.ar 1 UNL1 -0.1520 18 H 0.9447 2.9890 -0.2580 H 1 UNL1 0.1987 19 H -0.0311 -1.8588 0.4019 H 1 UNL1 0.3270 20 H 2.5955 1.7606 1.4146 H 1 UNL1 0.1741 21 H 1.5144 -1.2244 -1.5223 H 1 UNL1 0.1735 22 H 4.9124 0.8624 1.4578 H 1 UNL1 0.1613 23 H 3.8243 -2.1334 -1.4349 H 1 UNL1 0.1597 24 H 5.5200 -1.0872 0.0468 H 1 UNL1 0.1588 25 H -1.7414 -3.6570 -0.0138 H 1 UNL1 0.2952 26 H -3.3212 -3.2829 0.4574 H 1 UNL1 0.3219 @BOND 1 21 14 1 2 23 16 1 3 14 16 ar 4 14 9 ar 5 16 17 ar 6 18 10 1 7 4 10 ar 8 4 8 ar 9 10 2 ar 10 8 11 ar 11 8 7 ar 12 1 11 2 13 2 9 1 14 2 7 ar 15 9 13 ar 16 11 5 ar 17 7 3 ar 18 25 6 1 19 17 24 1 20 17 15 ar 21 3 12 ar 22 3 19 1 23 5 12 ar 24 12 6 1 25 6 26 1 26 13 15 ar 27 13 20 1 28 15 22 1