@MOLECULE 1-methyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.8796 2.4333 0.0004 O.2 1 UNL1 -0.4632 2 O 2.7461 -1.7526 -0.0002 O.2 1 UNL1 -0.4791 3 O -3.9716 -0.0006 -0.0006 O.2 1 UNL1 -0.4758 4 N 1.8232 0.3561 -0.0002 N.ar 1 UNL1 -0.5167 5 N 0.4843 -1.6582 0.0005 N.ar 1 UNL1 -0.5420 6 N -1.8672 1.0435 0.0001 N.ar 1 UNL1 -0.4449 7 N -1.9725 -1.2266 0.0001 N.ar 1 UNL1 -0.5326 8 C -0.5524 0.5350 0.0004 C.ar 1 UNL1 -0.2223 9 C -0.6330 -0.8605 0.0004 C.ar 1 UNL1 0.3474 10 C 0.7015 1.2397 0.0002 C.ar 1 UNL1 0.6239 11 C 1.7690 -1.0388 0.0000 C.ar 1 UNL1 0.7031 12 C -2.7689 -0.0197 -0.0002 C.ar 1 UNL1 0.6684 13 C 3.1778 0.9327 -0.0006 C.3 1 UNL1 -0.2140 14 H 0.4380 -2.6712 0.0006 H 1 UNL1 0.3477 15 H -2.0927 2.0175 -0.0004 H 1 UNL1 0.3563 16 H -2.3507 -2.1502 0.0002 H 1 UNL1 0.3460 17 H 3.1275 2.0389 -0.0079 H 1 UNL1 0.1800 18 H 3.7389 0.6006 -0.8933 H 1 UNL1 0.1590 19 H 3.7344 0.6126 0.8992 H 1 UNL1 0.1587 @BOND 1 18 13 1 2 17 13 1 3 3 12 2 4 13 4 1 5 13 19 1 6 15 6 1 7 4 11 ar 8 4 10 ar 9 12 7 ar 10 12 6 ar 11 2 11 2 12 11 5 ar 13 7 16 1 14 7 9 ar 15 6 8 ar 16 10 1 2 17 10 8 ar 18 9 8 ar 19 9 5 ar 20 5 14 1