@MOLECULE 4-sulfobenzoic acid 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.5169 0.0129 -0.1173 S.O2 1 UNL1111111111 2.3907 2 O 2.7967 0.0741 1.5130 O.3 1 UNL1111111111 -0.8376 3 O 3.0414 -1.2553 -0.5501 O.2 1 UNL1111111111 -0.9013 4 O 2.9798 1.2448 -0.6907 O.2 1 UNL1111111111 -0.8756 5 O -4.0333 1.1396 0.0243 O.3 1 UNL1111111111 -0.5541 6 O -4.1746 -1.0827 0.0474 O.2 1 UNL1111111111 -0.4845 7 C 0.7655 -0.0125 -0.0818 C.ar 1 UNL1111111111 -0.3351 8 C 0.0878 -1.2311 -0.0916 C.ar 1 UNL1111111111 -0.0928 9 C 0.0640 1.1909 -0.0455 C.ar 1 UNL1111111111 -0.0922 10 C -2.0064 -0.0394 -0.0168 C.ar 1 UNL1111111111 -0.0962 11 C -1.3051 -1.2463 -0.0584 C.ar 1 UNL1111111111 -0.1122 12 C -1.3300 1.1803 -0.0112 C.ar 1 UNL1111111111 -0.1023 13 C -3.4790 -0.1002 0.0211 C.2 1 UNL1111111111 0.6230 14 H 0.6318 -2.1825 -0.1307 H 1 UNL1111111111 0.1808 15 H 0.5892 2.1538 -0.0491 H 1 UNL1111111111 0.1801 16 H -1.8501 -2.1947 -0.0641 H 1 UNL1111111111 0.1785 17 H -1.8873 2.1199 0.0187 H 1 UNL1111111111 0.1785 18 H 3.6400 -0.2652 1.8346 H 1 UNL1111111111 0.3895 19 H -5.0251 1.1243 0.0485 H 1 UNL1111111111 0.3628 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 7 1 5 2 18 1 6 5 13 1 7 5 19 1 8 6 13 2 9 7 8 ar 10 7 9 ar 11 8 11 ar 12 8 14 1 13 9 12 ar 14 9 15 1 15 10 11 ar 16 10 12 ar 17 10 13 1 18 11 16 1 19 12 17 1