@MOLECULE 1,4,6-trimethyl-2(1h)-pyrimidinethione 20 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.3211 1.1098 -0.0000 S.2 1 UNL1 -0.3874 2 N -0.4794 -0.8595 0.0001 N.ar 1 UNL1 -0.3370 3 N 0.2902 1.4019 0.0002 N.ar 1 UNL1 -0.4780 4 C 0.8235 -1.3081 0.0001 C.ar 1 UNL1 0.2898 5 C 1.8633 -0.4000 0.0003 C.ar 1 UNL1 -0.4386 6 C 1.5506 0.9872 0.0004 C.ar 1 UNL1 0.3442 7 C 1.0927 -2.7744 -0.0001 C.3 1 UNL1 -0.4752 8 C -0.7654 0.5354 0.0001 C.ar 1 UNL1 0.4139 9 C -1.5603 -1.8536 -0.0002 C.3 1 UNL1 -0.2602 10 C 2.6153 2.0271 -0.0004 C.3 1 UNL1 -0.4570 11 H 2.8958 -0.7260 0.0004 H 1 UNL1 0.1881 12 H 0.6735 -3.2735 -0.8894 H 1 UNL1 0.1796 13 H 0.6743 -3.2735 0.8894 H 1 UNL1 0.1796 14 H 2.1732 -2.9941 -0.0006 H 1 UNL1 0.1794 15 H -1.5118 -2.4860 -0.9039 H 1 UNL1 0.1558 16 H -2.5664 -1.3781 0.0004 H 1 UNL1 0.2082 17 H -1.5113 -2.4870 0.9028 H 1 UNL1 0.1557 18 H 2.5301 2.6765 -0.8908 H 1 UNL1 0.1886 19 H 3.6274 1.6060 0.0179 H 1 UNL1 0.1614 20 H 2.5086 2.7011 0.8693 H 1 UNL1 0.1890 @BOND 1 15 9 1 2 18 10 1 3 12 7 1 4 14 7 1 5 10 6 1 6 10 19 1 7 10 20 1 8 9 2 1 9 9 16 1 10 9 17 1 11 7 4 1 12 7 13 1 13 1 8 2 14 8 2 ar 15 8 3 ar 16 4 2 ar 17 4 5 ar 18 3 6 ar 19 5 11 1 20 5 6 ar