@MOLECULE 1,3,7-trimethylhexahydro-1h-purine-2,6-dione 24 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4728 2.5389 -0.0025 O.2 1 UNL1 -0.3445 2 O -3.0485 -0.3746 0.0006 O.2 1 UNL1 -0.2760 3 N -0.9727 -1.3173 -0.0000 N.ar 1 UNL1 -0.0087 4 N 2.3044 0.0483 -0.0006 N.ar 1 UNL1 0.1586 5 N -1.2829 1.0802 -0.0007 N.ar 1 UNL1 -0.0950 6 N 1.4066 -2.0306 -0.0004 N.ar 1 UNL1 -0.4099 7 C 0.9221 0.2096 -0.0006 C.ar 1 UNL1 -0.3720 8 C 0.3839 -1.1050 -0.0002 C.ar 1 UNL1 0.2719 9 C 0.0984 1.3874 -0.0014 C.ar 1 UNL1 0.3355 10 C -1.8466 -0.2118 -0.0002 C.ar 1 UNL1 0.2392 11 C 2.5609 -1.3039 -0.0003 C.ar 1 UNL1 -0.0517 12 C -1.5079 -2.6815 0.0003 C.3 1 UNL1 -0.7798 13 C 3.2474 1.1462 0.0031 C.3 1 UNL1 -0.7549 14 C -2.2547 2.1865 0.0021 C.3 1 UNL1 -0.7557 15 H 3.5471 -1.7421 -0.0011 H 1 UNL1 0.2885 16 H -2.6147 -2.6666 0.0108 H 1 UNL1 0.2975 17 H -1.1492 -3.2314 0.8909 H 1 UNL1 0.3136 18 H -1.1661 -3.2251 -0.9006 H 1 UNL1 0.2844 19 H 4.2884 0.7848 -0.0260 H 1 UNL1 0.2720 20 H 3.0723 1.8108 -0.8704 H 1 UNL1 0.2727 21 H 3.1089 1.7742 0.9093 H 1 UNL1 0.3004 22 H -1.7329 3.1624 -0.0120 H 1 UNL1 0.2768 23 H -2.8902 2.1368 0.9052 H 1 UNL1 0.2818 24 H -2.9105 2.1226 -0.8855 H 1 UNL1 0.2554 @BOND 1 18 12 1 2 24 14 1 3 20 13 1 4 19 13 1 5 22 14 1 6 1 9 2 7 9 5 ar 8 9 7 ar 9 15 11 1 10 5 10 ar 11 5 14 1 12 4 7 ar 13 4 11 ar 14 4 13 1 15 7 8 ar 16 6 11 ar 17 6 8 ar 18 10 3 ar 19 10 2 2 20 8 3 ar 21 3 12 1 22 12 16 1 23 12 17 1 24 14 23 1 25 13 21 1