@MOLECULE 2-anilino-9-(4-hydroxybutyl)-1,9-dihydro-6h-purin-6-one 22 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.9405 3.1919 0.2277 O.3 1 UNL1 -0.2258 2 O -2.1708 -4.0483 -0.1497 O.2 1 UNL1 -0.2362 3 N 1.8410 -1.5908 -0.1490 N.ar 1 UNL1 -0.3488 4 N -0.2706 -0.4137 0.4043 N.2 1 UNL1 -0.4181 5 N 0.8599 -3.6556 -0.4616 N.ar 1 UNL1 -0.4241 6 N -2.2829 -1.8216 0.3345 N.am 1 UNL1 -0.5211 7 N -2.3995 0.4000 1.0672 N.pl3 1 UNL1 -0.2137 8 C 2.7023 -0.5917 -0.0692 C.1 1 UNL1 -0.0687 9 C 3.4979 0.3682 0.0089 C.1 1 UNL1 0.2192 10 C 0.4349 -1.4343 0.0873 C.ar 1 UNL1 0.2522 11 C 4.3473 1.3416 0.0817 C.1 1 UNL1 -0.4110 12 C -0.0979 -2.8616 -0.1549 C.ar 1 UNL1 0.0304 13 C 2.1535 -2.9452 -0.4801 C.ar 1 UNL1 0.5570 14 C 5.1809 2.3138 0.1584 C.1 1 UNL1 0.5160 15 C -1.6949 -0.6792 0.5416 C.1 1 UNL1 0.5206 16 C -1.5909 -3.0153 -0.0012 C.2 1 UNL1 0.5313 17 C -2.6099 1.5369 0.3800 C.ar 1 UNL1 0.1185 18 C -3.2668 2.6490 0.9701 C.ar 1 UNL1 0.1029 19 C -2.2774 1.8772 -0.9601 C.ar 1 UNL1 0.0360 20 C -3.5019 3.7889 0.3654 C.ar 1 UNL1 -0.0814 21 C -2.5257 3.0271 -1.5297 C.ar 1 UNL1 -0.0595 22 C -3.1466 4.0238 -0.8960 C.ar 1 UNL1 0.1243 @BOND 1 21 19 ar 2 21 22 ar 3 19 17 ar 4 22 20 ar 5 13 5 ar 6 13 3 ar 7 5 12 ar 8 12 16 1 9 12 10 ar 10 2 16 2 11 3 8 1 12 3 10 ar 13 8 9 3 14 16 6 1 15 9 11 1 16 11 14 3 17 10 4 1 18 14 1 1 19 6 15 2 20 20 18 ar 21 17 18 ar 22 17 7 1 23 4 15 2 24 15 7 1