@MOLECULE methyl 3-[(diaminomethylene)amino]benzenesulfonate 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.2045 0.1055 0.3486 S.O2 1 UNL111111111111111 2.3473 2 O -1.7893 1.3297 -0.7122 O.3 1 UNL111111111111111 -0.7187 3 O -3.3510 -0.5820 -0.1872 O.2 1 UNL111111111111111 -0.8887 4 O -2.2640 0.6957 1.6589 O.2 1 UNL111111111111111 -0.8812 5 N 2.9408 -0.3637 0.3455 N.pl3 1 UNL111111111111111 -0.5965 6 N 4.5286 1.3193 0.5626 N.pl3 1 UNL111111111111111 -0.6152 7 N 2.6797 1.7362 -0.8518 N.pl3 1 UNL111111111111111 -0.6730 8 C -0.7407 -0.8205 0.1180 C.ar 1 UNL111111111111111 -0.3276 9 C 0.4828 -0.2085 0.3737 C.ar 1 UNL111111111111111 -0.1965 10 C -0.7975 -2.1262 -0.3580 C.ar 1 UNL111111111111111 -0.1187 11 C 1.6737 -0.9007 0.1018 C.ar 1 UNL111111111111111 0.2101 12 C 1.6190 -2.2291 -0.3623 C.ar 1 UNL111111111111111 -0.1500 13 C 0.3881 -2.8321 -0.5795 C.ar 1 UNL111111111111111 -0.1336 14 C -2.6847 2.3976 -0.9071 C.3 1 UNL111111111111111 -0.1041 15 C 3.3148 0.8466 0.0259 C.cat 1 UNL111111111111111 0.5669 16 H 0.5355 0.7955 0.7997 H 1 UNL111111111111111 0.1696 17 H -1.7560 -2.6114 -0.5685 H 1 UNL111111111111111 0.1757 18 H 2.5498 -2.7660 -0.5437 H 1 UNL111111111111111 0.1682 19 H 0.3442 -3.8612 -0.9350 H 1 UNL111111111111111 0.1548 20 H -2.8445 2.9432 0.0324 H 1 UNL111111111111111 0.1301 21 H -3.6314 2.0345 -1.3287 H 1 UNL111111111111111 0.1300 22 H -2.1697 3.0386 -1.6363 H 1 UNL111111111111111 0.1349 23 H 5.0264 0.6478 1.1357 H 1 UNL111111111111111 0.3098 24 H 5.1340 1.8246 -0.0610 H 1 UNL111111111111111 0.2903 25 H 2.9165 2.7099 -0.8155 H 1 UNL111111111111111 0.3031 26 H 1.7177 1.5568 -1.0876 H 1 UNL111111111111111 0.3133 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 8 1 5 2 14 1 6 5 11 1 7 5 15 2 8 6 15 1 9 6 23 1 10 6 24 1 11 7 15 1 12 7 25 1 13 7 26 1 14 8 9 ar 15 8 10 ar 16 9 11 ar 17 9 16 1 18 10 13 ar 19 10 17 1 20 11 12 ar 21 12 13 ar 22 12 18 1 23 13 19 1 24 14 20 1 25 14 21 1 26 14 22 1