@MOLECULE 3,6-dichloro-1-benzothiophene-2-carboxylic acid 18 19 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.6367 -0.3688 -0.0006 Cl 1 UNL1111111111 -0.0668 2 C -2.9675 -0.0056 -0.0002 C.ar 1 UNL1111111111 0.0602 3 C -2.5905 1.3443 -0.0000 C.ar 1 UNL1111111111 -0.1966 4 C -1.2441 1.6674 0.0003 C.ar 1 UNL1111111111 -0.0639 5 C -2.0655 -1.0537 -0.0001 C.ar 1 UNL1111111111 -0.1839 6 C -0.7114 -0.7177 0.0005 C.ar 1 UNL1111111111 -0.0923 7 C -0.2965 0.6335 0.0006 C.ar 1 UNL1111111111 -0.1055 8 C 1.1392 0.7404 0.0006 C.ar 1 UNL1111111111 0.0568 9 CL 1.8867 2.2411 0.0005 Cl 1 UNL1111111111 0.0241 10 S 0.6648 -1.7987 0.0006 S.2 1 UNL1111111111 0.3463 11 C 1.7971 -0.4523 0.0004 C.ar 1 UNL1111111111 -0.3187 12 C 3.2394 -0.6286 -0.0007 C.2 1 UNL1111111111 0.6577 13 O 3.5753 -1.9488 0.0008 O.3 1 UNL1111111111 -0.5528 14 O 4.0970 0.2164 -0.0028 O.2 1 UNL1111111111 -0.4661 15 H -3.3483 2.1295 -0.0001 H 1 UNL1111111111 0.1811 16 H -0.9222 2.7106 0.0002 H 1 UNL1111111111 0.1746 17 H -2.3960 -2.0932 -0.0003 H 1 UNL1111111111 0.1854 18 H 4.5546 -2.0982 -0.0000 H 1 UNL1111111111 0.3604 @BOND 1 2 1 1 2 3 2 ar 3 3 15 1 4 4 3 ar 5 4 16 1 6 5 2 ar 7 5 17 1 8 6 5 ar 9 7 6 ar 10 7 4 ar 11 8 7 ar 12 9 8 1 13 10 6 ar 14 11 8 ar 15 11 10 ar 16 12 11 1 17 13 12 1 18 13 18 1 19 14 12 2