@MOLECULE 1,3-dimethyl-4-thioxo-3,4-dihydro-2(1h)-pyrimidinone 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.7569 0.3198 -0.0000 S.2 1 UNL1 -0.3716 2 O 1.7595 -1.7182 -0.0014 O.2 1 UNL1 -0.5012 3 N -0.3197 -0.7357 0.0004 N.ar 1 UNL1 -0.4037 4 N 1.6971 0.5619 -0.0001 N.ar 1 UNL1 -0.4040 5 C 1.0870 -0.7085 -0.0006 C.ar 1 UNL1 0.6701 6 C -1.1100 0.4088 -0.0001 C.ar 1 UNL1 0.3085 7 C 0.9527 1.7235 -0.0000 C.ar 1 UNL1 0.1204 8 C -0.4050 1.6657 -0.0005 C.ar 1 UNL1 -0.3637 9 C -0.9374 -2.0731 0.0011 C.3 1 UNL1 -0.2303 10 C 3.1615 0.6318 0.0011 C.3 1 UNL1 -0.2342 11 H 1.5117 2.6682 0.0003 H 1 UNL1 0.1764 12 H -1.0019 2.5817 -0.0011 H 1 UNL1 0.2092 13 H -0.1685 -2.8699 0.0014 H 1 UNL1 0.1778 14 H -1.5683 -2.2117 -0.8983 H 1 UNL1 0.1718 15 H -1.5684 -2.2109 0.9004 H 1 UNL1 0.1718 16 H 3.5281 1.1515 -0.9018 H 1 UNL1 0.1556 17 H 3.6068 -0.3866 0.0036 H 1 UNL1 0.1915 18 H 3.5262 1.1551 0.9026 H 1 UNL1 0.1555 @BOND 1 16 10 1 2 14 9 1 3 2 5 2 4 12 8 1 5 5 4 ar 6 5 3 ar 7 8 6 ar 8 8 7 ar 9 6 1 2 10 6 3 ar 11 4 7 ar 12 4 10 1 13 7 11 1 14 3 9 1 15 10 17 1 16 10 18 1 17 9 13 1 18 9 15 1