@MOLECULE 1,7-dimethyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.7383 -2.3706 -0.0009 O.2 1 UNL1 -0.4732 2 O -3.7557 0.6966 0.0003 O.2 1 UNL1 -0.4911 3 O 3.1376 1.5309 0.0007 O.2 1 UNL1 -0.4816 4 N -1.8073 -0.6218 0.0032 N.ar 1 UNL1 -0.3408 5 N 1.9421 -0.4354 0.0001 N.ar 1 UNL1 -0.5191 6 N -1.6077 1.6363 -0.0007 N.ar 1 UNL1 -0.5299 7 N 0.8831 1.7374 -0.0012 N.ar 1 UNL1 -0.5406 8 C -0.4372 -0.3014 0.0005 C.ar 1 UNL1 -0.2191 9 C -0.3307 1.0937 -0.0007 C.ar 1 UNL1 0.3336 10 C 0.7145 -1.1632 -0.0002 C.ar 1 UNL1 0.6273 11 C -2.5605 0.5474 0.0001 C.ar 1 UNL1 0.6568 12 C 2.0727 0.9553 -0.0000 C.ar 1 UNL1 0.7040 13 C -2.3353 -1.9721 -0.0013 C.3 1 UNL1 -0.1989 14 C 3.2094 -1.1844 0.0005 C.3 1 UNL1 -0.2131 15 H -1.8586 2.6022 -0.0019 H 1 UNL1 0.3456 16 H 0.9689 2.7480 -0.0013 H 1 UNL1 0.3484 17 H -1.9914 -2.5210 -0.9003 H 1 UNL1 0.1627 18 H -3.4423 -1.9493 0.0049 H 1 UNL1 0.1703 19 H -1.9821 -2.5289 0.8894 H 1 UNL1 0.1632 20 H 3.0149 -2.2741 0.0079 H 1 UNL1 0.1784 21 H 3.8086 -0.9284 0.8933 H 1 UNL1 0.1588 22 H 3.8028 -0.9396 -0.8994 H 1 UNL1 0.1585 @BOND 1 17 13 1 2 22 14 1 3 15 6 1 4 16 7 1 5 13 4 1 6 13 18 1 7 13 19 1 8 7 9 ar 9 7 12 ar 10 1 10 2 11 9 6 ar 12 9 8 ar 13 6 11 ar 14 10 5 ar 15 10 8 ar 16 12 5 ar 17 12 3 2 18 11 2 2 19 11 4 ar 20 5 14 1 21 8 4 ar 22 14 20 1 23 14 21 1