@MOLECULE 3-methylthymine 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.1967 -1.8874 0.0008 O.2 1 UNL1 -0.4802 2 O 2.5934 0.6524 0.0012 O.2 1 UNL1 -0.5038 3 N 0.7035 -0.6606 -0.0014 N.ar 1 UNL1 -0.5142 4 N 0.5912 1.7248 -0.0003 N.ar 1 UNL1 -0.5339 5 C -1.4483 0.4847 -0.0002 C.ar 1 UNL1 -0.2237 6 C -0.7109 -0.7805 -0.0001 C.ar 1 UNL1 0.5995 7 C 1.3846 0.5560 0.0001 C.ar 1 UNL1 0.6893 8 C -0.7939 1.6716 -0.0004 C.ar 1 UNL1 0.0960 9 C 1.5400 -1.8697 -0.0005 C.3 1 UNL1 -0.2175 10 C -2.9263 0.3710 0.0004 C.3 1 UNL1 -0.4055 11 H -1.3102 2.6390 -0.0007 H 1 UNL1 0.1735 12 H 1.0791 2.6156 0.0002 H 1 UNL1 0.3385 13 H 2.1978 -1.8846 -0.8887 H 1 UNL1 0.1581 14 H 0.9071 -2.7778 -0.0143 H 1 UNL1 0.1781 15 H 2.1773 -1.8975 0.9022 H 1 UNL1 0.1576 16 H -3.2815 -0.1892 0.8830 H 1 UNL1 0.1700 17 H -3.2819 -0.1945 -0.8786 H 1 UNL1 0.1700 18 H -3.4368 1.3415 -0.0026 H 1 UNL1 0.1482 @BOND 1 13 9 1 2 17 10 1 3 14 9 1 4 18 10 1 5 3 9 1 6 3 6 ar 7 3 7 ar 8 11 8 1 9 9 15 1 10 8 4 ar 11 8 5 ar 12 4 7 ar 13 4 12 1 14 5 6 ar 15 5 10 1 16 6 1 2 17 7 2 2 18 10 16 1