@MOLECULE 2,4-diaminobenzenesulfonic acid 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.7877 -0.1835 -0.1140 S.O2 1 UNL1111111111 2.4643 2 O 2.1312 -0.4342 1.4932 O.3 1 UNL1111111111 -0.8390 3 O 2.3114 -1.3541 -0.7781 O.2 1 UNL1111111111 -0.9187 4 O 2.3294 1.1273 -0.4354 O.2 1 UNL1111111111 -0.9576 5 N -0.0700 2.2925 -0.0310 N.pl3 1 UNL1111111111 -0.6111 6 N -4.1036 -0.2882 0.0816 N.pl3 1 UNL1111111111 -0.6286 7 C 0.0828 -0.1389 -0.0923 C.ar 1 UNL1111111111 -0.6611 8 C -0.6715 1.0648 -0.0338 C.ar 1 UNL1111111111 0.4385 9 C -0.6084 -1.3639 -0.1146 C.ar 1 UNL1111111111 0.1007 10 C -2.0836 1.0131 0.0276 C.ar 1 UNL1111111111 -0.5098 11 C -2.7318 -0.2245 0.0180 C.ar 1 UNL1111111111 0.3986 12 C -1.9813 -1.4315 -0.0640 C.ar 1 UNL1111111111 -0.4109 13 H -0.0420 -2.3055 -0.1811 H 1 UNL1111111111 0.1623 14 H -2.6531 1.9298 0.0829 H 1 UNL1111111111 0.1649 15 H -2.4924 -2.3849 -0.0840 H 1 UNL1111111111 0.1619 16 H -0.6118 3.1274 -0.0168 H 1 UNL1111111111 0.2995 17 H 0.9353 2.3907 -0.1467 H 1 UNL1111111111 0.3554 18 H -4.5817 -1.1608 0.0742 H 1 UNL1111111111 0.3058 19 H -4.6581 0.5357 0.1412 H 1 UNL1111111111 0.3043 20 H 3.0055 -0.7769 1.7032 H 1 UNL1111111111 0.3808 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 7 1 5 2 20 1 6 5 8 1 7 5 16 1 8 5 17 1 9 6 11 1 10 6 18 1 11 6 19 1 12 7 8 ar 13 7 9 ar 14 8 10 ar 15 9 12 ar 16 9 13 1 17 10 11 ar 18 10 14 1 19 11 12 ar 20 12 15 1