@MOLECULE thiazole 8 8 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.0057 -1.2519 0.0000 C.ar 1 UNL1 -0.3379 2 C 1.2605 -0.7346 -0.0000 C.ar 1 UNL1 -0.0059 3 H -0.2883 -2.2882 -0.0000 H 1 UNL1 0.1890 4 H 2.1977 -1.2806 -0.0000 H 1 UNL1 0.1831 5 S -1.1713 0.0376 -0.0000 S.2 1 UNL1 0.1756 6 C 0.1540 1.2218 -0.0000 C.ar 1 UNL1 -0.0506 7 N 1.3361 0.6615 0.0000 N.ar 1 UNL1 -0.3442 8 H -0.0088 2.2914 -0.0000 H 1 UNL1 0.1909 @BOND 1 1 2 ar 2 1 3 1 3 1 5 ar 4 2 4 1 5 2 7 ar 6 5 6 ar 7 6 7 ar 8 6 8 1