@MOLECULE 2-(methylamino)-3,7-dihydropurine-1,9-diium-5-id-6-one 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2123 2.6347 0.0040 O.2 1 UNL1 -0.4386 2 N 0.3775 -1.4357 0.0817 N.ar 1 UNL1 -0.5068 3 N -2.5420 0.5974 -0.0309 N.ar 1 UNL1 -0.2768 4 N -2.0989 -1.6289 -0.0148 N.ar 1 UNL1 -0.4189 5 N 1.2068 0.8409 0.0502 N.ar 1 UNL1 -0.6202 6 N 2.6885 -0.9945 -0.0829 N.pl3 1 UNL1 -0.4974 7 C -1.1605 0.4643 0.0084 C.ar 1 UNL1 -0.2470 8 C -0.9081 -0.9271 0.0207 C.ar 1 UNL1 0.2649 9 C 1.4054 -0.4604 0.0364 C.ar 1 UNL1 0.5725 10 C -0.0694 1.4377 0.0161 C.ar 1 UNL1 0.6255 11 C -3.0725 -0.6844 -0.0434 C.ar 1 UNL1 0.1239 12 C 3.8015 -0.0294 -0.0513 C.3 1 UNL1 -0.2262 13 H 0.5365 -2.4236 -0.0573 H 1 UNL1 0.3378 14 H -3.0221 1.4732 -0.0405 H 1 UNL1 0.3336 15 H -4.1298 -0.9006 -0.0740 H 1 UNL1 0.1983 16 H 2.8747 -1.8649 0.4032 H 1 UNL1 0.2983 17 H 4.7322 -0.5499 -0.3254 H 1 UNL1 0.1436 18 H 3.9187 0.4595 0.9313 H 1 UNL1 0.1487 19 H 3.6191 0.7773 -0.7928 H 1 UNL1 0.1848 @BOND 1 19 12 1 2 17 12 1 3 6 12 1 4 6 9 1 5 6 16 1 6 15 11 1 7 13 2 1 8 12 18 1 9 11 3 ar 10 11 4 ar 11 14 3 1 12 3 7 ar 13 4 8 ar 14 1 10 2 15 7 10 ar 16 7 8 ar 17 10 5 ar 18 8 2 ar 19 9 5 ar 20 9 2 ar