@MOLECULE 5-methyl-2-(1-piperazinyl)benzenesulfonic acid 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.5457 -1.8542 -0.2034 S.O2 1 UNL1111111111 2.4262 2 O 0.3224 -2.0194 1.2075 O.3 1 UNL1111111111 -0.8356 3 O 0.3102 -2.0907 -1.3288 O.2 1 UNL1111111111 -0.8505 4 O -1.6817 -2.7293 0.0100 O.2 1 UNL1111111111 -0.9446 5 N 1.1829 0.5776 -0.0677 N.pl3 1 UNL1111111111 -0.4367 6 N 4.0102 0.8847 0.1440 N.3 1 UNL1111111111 -0.5427 7 C 1.9232 1.3938 -1.0602 C.3 1 UNL1111111111 -0.1031 8 C 1.8256 0.6599 1.2692 C.3 1 UNL1111111111 -0.0997 9 C 3.3483 0.8013 -1.1801 C.3 1 UNL1111111111 -0.1155 10 C 3.2572 0.0875 1.1419 C.3 1 UNL1111111111 -0.1139 11 C -0.2179 0.8838 -0.0138 C.ar 1 UNL1111111111 0.2161 12 C -1.1031 -0.1994 -0.0702 C.ar 1 UNL1111111111 -0.4021 13 C -0.7165 2.1920 0.0673 C.ar 1 UNL1111111111 -0.2432 14 C -2.4774 0.0339 -0.0290 C.ar 1 UNL1111111111 -0.0882 15 C -2.9762 1.3349 0.0503 C.ar 1 UNL1111111111 -0.0071 16 C -2.0871 2.4129 0.0960 C.ar 1 UNL1111111111 -0.1091 17 C -4.4466 1.5686 0.1032 C.3 1 UNL1111111111 -0.4526 18 H 1.4031 1.3202 -2.0392 H 1 UNL1111111111 0.1442 19 H 1.9868 2.4660 -0.7802 H 1 UNL1111111111 0.1240 20 H 1.8640 1.6989 1.6571 H 1 UNL1111111111 0.1229 21 H 1.2410 0.0417 1.9870 H 1 UNL1111111111 0.1578 22 H 3.2787 -0.2418 -1.5637 H 1 UNL1111111111 0.1420 23 H 3.9404 1.3954 -1.9058 H 1 UNL1111111111 0.1318 24 H 3.7779 0.1681 2.1181 H 1 UNL1111111111 0.1313 25 H 3.1950 -0.9915 0.8742 H 1 UNL1111111111 0.1404 26 H 4.9745 0.5620 0.0826 H 1 UNL1111111111 0.2509 27 H -0.0269 3.0321 0.1147 H 1 UNL1111111111 0.1622 28 H -3.1864 -0.8051 -0.0559 H 1 UNL1111111111 0.1837 29 H -2.4705 3.4308 0.1591 H 1 UNL1111111111 0.1513 30 H -5.0088 0.8267 -0.4826 H 1 UNL1111111111 0.1618 31 H -4.8171 1.5077 1.1386 H 1 UNL1111111111 0.1622 32 H -4.7311 2.5571 -0.2819 H 1 UNL1111111111 0.1544 33 H 0.1646 -2.8412 1.6911 H 1 UNL1111111111 0.3813 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 12 1 5 2 33 1 6 5 7 1 7 5 8 1 8 5 11 1 9 6 9 1 10 6 10 1 11 6 26 1 12 7 9 1 13 7 18 1 14 7 19 1 15 8 10 1 16 8 20 1 17 8 21 1 18 9 22 1 19 9 23 1 20 10 24 1 21 10 25 1 22 11 12 ar 23 11 13 ar 24 12 14 ar 25 13 16 ar 26 13 27 1 27 14 15 ar 28 14 28 1 29 15 16 ar 30 15 17 1 31 16 29 1 32 17 30 1 33 17 31 1 34 17 32 1