@MOLECULE 9-methyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.4973 0.5365 0.0005 O.2 1 UNL1 -0.4858 2 O -1.5513 2.6007 -0.0011 O.2 1 UNL1 -0.4527 3 O -3.0869 -1.6908 0.0007 O.2 1 UNL1 -0.4784 4 N 1.5853 -0.8292 0.0013 N.ar 1 UNL1 -0.4256 5 N 1.3240 1.4238 0.0006 N.ar 1 UNL1 -0.4432 6 N -0.8317 -1.4418 0.0003 N.ar 1 UNL1 -0.5379 7 N -2.3091 0.4670 -0.0005 N.ar 1 UNL1 -0.6244 8 C 0.2269 -0.5647 0.0004 C.ar 1 UNL1 0.3474 9 C 0.0475 0.8254 0.0003 C.ar 1 UNL1 -0.2340 10 C 2.2984 0.4279 0.0005 C.ar 1 UNL1 0.6610 11 C -1.2524 1.4326 -0.0004 C.ar 1 UNL1 0.6278 12 C 2.2252 -2.1289 -0.0024 C.3 1 UNL1 -0.2161 13 C -2.1550 -0.9195 0.0003 C.ar 1 UNL1 0.7100 14 H 1.4824 2.4111 0.0004 H 1 UNL1 0.3563 15 H -0.7054 -2.4473 0.0007 H 1 UNL1 0.3462 16 H 1.9616 -2.7034 -0.9094 H 1 UNL1 0.1534 17 H 1.9549 -2.7117 0.8973 H 1 UNL1 0.1534 18 H 3.3307 -1.9968 0.0023 H 1 UNL1 0.1896 19 H -3.2718 0.8216 -0.0008 H 1 UNL1 0.3531 @BOND 1 16 12 1 2 12 4 1 3 12 18 1 4 12 17 1 5 2 11 2 6 19 7 1 7 7 11 ar 8 7 13 ar 9 11 9 ar 10 13 6 ar 11 13 3 2 12 9 8 ar 13 9 5 ar 14 6 8 ar 15 6 15 1 16 8 4 ar 17 14 5 1 18 1 10 2 19 10 5 ar 20 10 4 ar