@MOLECULE pyrimidinethione 11 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.1788 0.0061 -0.0000 S.2 1 UNL1 -0.3272 2 N 0.1795 -1.1646 0.0000 N.ar 1 UNL1 -0.4318 3 N 0.1952 1.2286 0.0001 N.ar 1 UNL1 -0.4180 4 C 1.5532 -1.1854 0.0001 C.ar 1 UNL1 0.1189 5 C 2.2586 -0.0080 -0.0001 C.ar 1 UNL1 -0.3795 6 C -0.5364 0.0612 -0.0000 C.ar 1 UNL1 0.3875 7 C 1.5111 1.2102 -0.0000 C.ar 1 UNL1 0.1700 8 H -0.3467 -2.0417 -0.0000 H 1 UNL1 0.3371 9 H 2.0404 -2.1685 0.0000 H 1 UNL1 0.1724 10 H 3.3417 0.0135 -0.0002 H 1 UNL1 0.1873 11 H 2.0227 2.1849 -0.0000 H 1 UNL1 0.1833 @BOND 1 10 5 1 2 5 7 ar 3 5 4 ar 4 6 2 ar 5 6 1 2 6 6 3 ar 7 8 2 1 8 2 4 ar 9 7 11 1 10 7 3 ar 11 9 4 1