@MOLECULE 4-{(e)-[4-(dimethylamino)phenyl]diazenyl}benzenesulfonic acid 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 S 5.4827 0.1351 -0.0578 S.O2 1 UNL111111111 2.4059 2 O 5.8202 -0.6859 1.3442 O.3 1 UNL111111111 -0.8395 3 O 6.0637 -0.6067 -1.1430 O.2 1 UNL111111111 -0.8856 4 O 5.8861 1.4944 0.2051 O.2 1 UNL111111111 -0.9162 5 N -6.7560 -0.0050 0.2813 N.pl3 1 UNL111111111 -0.3763 6 N -1.1899 0.4377 -0.1997 N.2 1 UNL111111111 -0.1229 7 N -0.4215 -0.5346 -0.0099 N.2 1 UNL111111111 -0.2293 8 C -5.3854 0.0403 0.0648 C.ar 1 UNL111111111 0.2809 9 C -4.7568 1.2474 -0.3295 C.ar 1 UNL111111111 -0.3200 10 C -4.5726 -1.0860 0.3444 C.ar 1 UNL111111111 -0.3156 11 C 3.7497 -0.0179 -0.0703 C.ar 1 UNL111111111 -0.4020 12 C -2.5822 0.2124 -0.1046 C.ar 1 UNL111111111 -0.0571 13 C -3.3794 1.3318 -0.4053 C.ar 1 UNL111111111 -0.0143 14 C -3.1956 -0.9960 0.2655 C.ar 1 UNL111111111 -0.0338 15 C 0.9817 -0.2695 -0.0722 C.ar 1 UNL111111111 0.1676 16 C -7.5950 1.0402 -0.3206 C.3 1 UNL111111111 -0.2486 17 C -7.4090 -1.3189 0.3607 C.3 1 UNL111111111 -0.2483 18 C 2.9620 0.9793 0.5057 C.ar 1 UNL111111111 -0.0483 19 C 3.1538 -1.1369 -0.6557 C.ar 1 UNL111111111 -0.0479 20 C 1.5760 0.8600 0.5053 C.ar 1 UNL111111111 -0.2076 21 C 1.7700 -1.2710 -0.6580 C.ar 1 UNL111111111 -0.1912 22 H -5.3502 2.1246 -0.5683 H 1 UNL111111111 0.1652 23 H -5.0215 -2.0315 0.6329 H 1 UNL111111111 0.1651 24 H -2.8968 2.2674 -0.7019 H 1 UNL111111111 0.1679 25 H -2.5710 -1.8663 0.4897 H 1 UNL111111111 0.1739 26 H -7.3256 2.0233 0.1101 H 1 UNL111111111 0.1575 27 H -8.6575 0.8717 -0.0771 H 1 UNL111111111 0.1500 28 H -7.4956 1.0915 -1.4182 H 1 UNL111111111 0.1398 29 H -8.4936 -1.2028 0.5240 H 1 UNL111111111 0.1497 30 H -7.0168 -1.8736 1.2343 H 1 UNL111111111 0.1582 31 H -7.2588 -1.9284 -0.5465 H 1 UNL111111111 0.1399 32 H 3.4185 1.8698 0.9558 H 1 UNL111111111 0.1748 33 H 3.7643 -1.9197 -1.1230 H 1 UNL111111111 0.1751 34 H 0.9507 1.6365 0.9453 H 1 UNL111111111 0.1744 35 H 1.2936 -2.1426 -1.1058 H 1 UNL111111111 0.1732 36 H 6.6075 -0.4190 1.8312 H 1 UNL111111111 0.3854 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 11 1 5 2 36 1 6 5 8 1 7 5 16 1 8 5 17 1 9 6 7 2 10 6 12 1 11 7 15 1 12 8 9 ar 13 8 10 ar 14 9 13 ar 15 9 22 1 16 10 14 ar 17 10 23 1 18 11 18 ar 19 11 19 ar 20 12 13 ar 21 12 14 ar 22 13 24 1 23 14 25 1 24 15 20 ar 25 15 21 ar 26 16 26 1 27 16 27 1 28 16 28 1 29 17 29 1 30 17 30 1 31 17 31 1 32 18 20 ar 33 18 32 1 34 19 21 ar 35 19 33 1 36 20 34 1 37 21 35 1