@MOLECULE isothiazol-3(2h)-on 9 9 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.4794 -0.4308 0.0000 S.2 1 UNL1111111111 0.3751 2 O 2.3134 -0.2541 -0.0000 O.2 1 UNL1111111111 -0.4812 3 N 0.1770 -1.0403 -0.0000 N.ar 1 UNL1111111111 -0.7075 4 C 1.1299 -0.0172 -0.0000 C.ar 1 UNL1111111111 0.5737 5 C 0.4421 1.2983 0.0001 C.ar 1 UNL1111111111 -0.2671 6 C -0.8990 1.2334 -0.0001 C.ar 1 UNL1111111111 -0.2074 7 H 1.0544 2.1897 0.0003 H 1 UNL1111111111 0.1938 8 H 0.3964 -2.0168 0.0004 H 1 UNL1111111111 0.3389 9 H -1.5977 2.0559 -0.0001 H 1 UNL1111111111 0.1816 @BOND 1 1 3 ar 2 1 6 ar 3 2 4 2 4 3 4 ar 5 3 8 1 6 4 5 ar 7 5 6 ar 8 5 7 1 9 6 9 1