@MOLECULE 5-amino-2-chlorotoluene-4-sulfonic acid 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.0237 -1.5505 -0.0336 Cl 1 UNL1111111111 -0.0839 2 S 2.1895 -0.4776 -0.1098 S.O2 1 UNL1111111111 2.4594 3 O 2.4265 -0.7783 1.5027 O.3 1 UNL1111111111 -0.8356 4 O 2.2907 -1.7678 -0.7423 O.2 1 UNL1111111111 -0.9046 5 O 3.1062 0.5884 -0.4688 O.2 1 UNL1111111111 -0.9461 6 N 1.2257 2.4725 -0.0677 N.pl3 1 UNL1111111111 -0.5960 7 C 0.5768 0.1233 -0.0873 C.ar 1 UNL1111111111 -0.5934 8 C 0.2640 1.5042 -0.0458 C.ar 1 UNL1111111111 0.3814 9 C -2.1202 0.9851 0.0380 C.ar 1 UNL1111111111 0.1795 10 C -1.1003 1.9142 0.0264 C.ar 1 UNL1111111111 -0.3703 11 C -0.4710 -0.8097 -0.0878 C.ar 1 UNL1111111111 0.0267 12 C -1.7775 -0.3796 -0.0289 C.ar 1 UNL1111111111 -0.1615 13 C -3.5421 1.4105 0.1149 C.3 1 UNL1111111111 -0.4734 14 H -1.3285 2.9746 0.0732 H 1 UNL1111111111 0.1673 15 H -0.2547 -1.8884 -0.1425 H 1 UNL1111111111 0.1850 16 H -4.1156 1.0645 -0.7620 H 1 UNL1111111111 0.1794 17 H -4.0426 0.9890 1.0035 H 1 UNL1111111111 0.1796 18 H -3.6645 2.5010 0.1668 H 1 UNL1111111111 0.1619 19 H 0.9817 3.4384 -0.0596 H 1 UNL1111111111 0.3020 20 H 2.2089 2.2415 -0.1896 H 1 UNL1111111111 0.3568 21 H 3.0734 -1.4548 1.7343 H 1 UNL1111111111 0.3859 @BOND 1 1 12 1 2 2 3 1 3 2 4 2 4 2 5 2 5 2 7 1 6 3 21 1 7 6 8 1 8 6 19 1 9 6 20 1 10 7 8 ar 11 7 11 ar 12 8 10 ar 13 9 10 ar 14 9 12 ar 15 9 13 1 16 10 14 1 17 11 12 ar 18 11 15 1 19 13 16 1 20 13 17 1 21 13 18 1