@MOLECULE 3,4-dichloro-5-isothiazolecarboxylic acid 11 11 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.3783 -2.0396 -0.0855 Cl 1 UNL1111111111 0.0637 2 CL 2.9528 -0.0785 -0.0069 Cl 1 UNL1111111111 0.0420 3 S -0.5985 2.0325 0.0512 S.2 1 UNL1111111111 0.5913 4 O -2.3760 -1.4731 0.3512 O.3 1 UNL1111111111 -0.5187 5 O -3.3136 0.4440 -0.3013 O.2 1 UNL1111111111 -0.4797 6 N 1.1117 1.7839 0.0525 N.ar 1 UNL1111111111 -0.4180 7 C -0.9491 0.3266 0.0040 C.ar 1 UNL1111111111 -0.3368 8 C 0.2222 -0.3822 -0.0182 C.ar 1 UNL1111111111 -0.0431 9 C 1.3686 0.4986 0.0104 C.ar 1 UNL1111111111 0.0821 10 C -2.3171 -0.1712 -0.0162 C.2 1 UNL1111111111 0.6556 11 H -3.3002 -1.8395 0.3371 H 1 UNL1111111111 0.3615 @BOND 1 1 8 1 2 2 9 1 3 3 6 ar 4 3 7 ar 5 4 10 1 6 4 11 1 7 5 10 2 8 6 9 ar 9 7 8 ar 10 7 10 1 11 8 9 ar