@MOLECULE oxo(2-sulfanylphenyl)acetic acid 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.3628 2.4236 0.0856 C.ar 1 UNL111111111 -0.1735 2 C -2.5290 1.7283 -0.2409 C.ar 1 UNL111111111 -0.0879 3 C -2.5233 0.3393 -0.3043 C.ar 1 UNL111111111 -0.1793 4 C -1.3466 -0.3716 -0.0414 C.ar 1 UNL111111111 0.0046 5 C -0.1740 0.3231 0.2634 C.ar 1 UNL111111111 -0.1955 6 C -0.1897 1.7228 0.3314 C.ar 1 UNL111111111 -0.0824 7 C 1.1011 -0.3596 0.5338 C.2 1 UNL111111111 0.4136 8 O 1.2573 -1.2984 1.2656 O.2 1 UNL111111111 -0.3638 9 C 2.3103 0.2383 -0.1860 C.2 1 UNL111111111 0.5415 10 O 2.6427 -0.5507 -1.2244 O.3 1 UNL111111111 -0.5177 11 O 2.8868 1.2542 0.0836 O.2 1 UNL111111111 -0.4645 12 S -1.4785 -2.1280 -0.1811 S.3 1 UNL111111111 -0.1132 13 H -1.3736 3.5111 0.1448 H 1 UNL111111111 0.1635 14 H -3.4495 2.2774 -0.4428 H 1 UNL111111111 0.1554 15 H -3.4499 -0.1833 -0.5534 H 1 UNL111111111 0.1712 16 H 0.7253 2.2697 0.5844 H 1 UNL111111111 0.1777 17 H 3.4294 -0.2259 -1.7384 H 1 UNL111111111 0.3593 18 H -0.4111 -2.5460 0.5202 H 1 UNL111111111 0.1909 @BOND 1 1 2 ar 2 1 13 1 3 2 3 ar 4 2 14 1 5 3 15 1 6 4 3 ar 7 4 12 1 8 5 4 ar 9 6 5 ar 10 6 1 ar 11 6 16 1 12 7 8 2 13 7 5 1 14 9 7 1 15 10 9 1 16 10 17 1 17 11 9 2 18 12 18 1