@MOLECULE 4-anilinobenzenesulfonic acid 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.6480 -0.2683 -0.1218 S.O2 1 UNL1111111111 2.4192 2 O 3.6985 -1.1401 1.2932 O.3 1 UNL1111111111 -0.8392 3 O 3.8904 -1.2685 -1.1364 O.2 1 UNL1111111111 -0.9302 4 O 4.5241 0.8613 0.0334 O.2 1 UNL1111111111 -0.8870 5 N -2.0442 1.3147 0.1012 N.pl3 1 UNL1111111111 -0.5318 6 C -0.7140 0.9332 -0.0001 C.ar 1 UNL1111111111 0.3113 7 C 1.9904 0.2295 -0.1306 C.ar 1 UNL1111111111 -0.4895 8 C 0.2776 1.8308 0.4591 C.ar 1 UNL1111111111 -0.3250 9 C -0.3302 -0.2908 -0.5825 C.ar 1 UNL1111111111 -0.3184 10 C 1.6140 1.4672 0.3991 C.ar 1 UNL1111111111 0.0289 11 C 1.0125 -0.6281 -0.6455 C.ar 1 UNL1111111111 0.0266 12 C -3.1476 0.4279 0.0582 C.ar 1 UNL1111111111 0.2059 13 C -4.3423 0.9055 -0.5073 C.ar 1 UNL1111111111 -0.2332 14 C -3.1003 -0.8563 0.6178 C.ar 1 UNL1111111111 -0.2354 15 C -5.4746 0.0996 -0.5004 C.ar 1 UNL1111111111 -0.0922 16 C -4.2466 -1.6486 0.6125 C.ar 1 UNL1111111111 -0.0889 17 C -5.4332 -1.1781 0.0563 C.ar 1 UNL1111111111 -0.1909 18 H -2.2540 2.2863 0.2941 H 1 UNL1111111111 0.3194 19 H -0.0083 2.7914 0.8768 H 1 UNL1111111111 0.1616 20 H -1.0789 -0.9551 -1.0064 H 1 UNL1111111111 0.1728 21 H 2.3712 2.1672 0.7795 H 1 UNL1111111111 0.1705 22 H 1.2941 -1.5823 -1.1113 H 1 UNL1111111111 0.1692 23 H -4.3807 1.8973 -0.9510 H 1 UNL1111111111 0.1624 24 H -2.1844 -1.2293 1.0736 H 1 UNL1111111111 0.1696 25 H -6.4044 0.4693 -0.9310 H 1 UNL1111111111 0.1523 26 H -4.2157 -2.6423 1.0588 H 1 UNL1111111111 0.1534 27 H -6.3242 -1.8019 0.0597 H 1 UNL1111111111 0.1559 28 H 4.1831 -1.9699 1.2540 H 1 UNL1111111111 0.3830 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 7 1 5 2 28 1 6 5 6 1 7 5 12 1 8 5 18 1 9 6 8 ar 10 6 9 ar 11 7 10 ar 12 7 11 ar 13 8 10 ar 14 8 19 1 15 9 11 ar 16 9 20 1 17 10 21 1 18 11 22 1 19 12 13 ar 20 12 14 ar 21 13 15 ar 22 13 23 1 23 14 16 ar 24 14 24 1 25 15 17 ar 26 15 25 1 27 16 17 ar 28 16 26 1 29 17 27 1