@MOLECULE 4,4'-[carbonylbis(4,1-phenyleneimino)]dibenzenesulfonic acid 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 S -7.0651 3.2402 -0.3467 S.O2 1 UNL11 2.4166 2 S 6.7109 3.6094 -0.0356 S.O2 1 UNL11 2.4155 3 O -0.0406 -5.3758 -1.4113 O.2 1 UNL11 -0.4243 4 O -7.5309 2.8424 -1.8903 O.3 1 UNL11 -0.8408 5 O 6.0434 4.1189 1.3968 O.3 1 UNL11 -0.8409 6 O -8.2985 3.4738 0.3652 O.2 1 UNL11 -0.9195 7 O -6.0750 4.2780 -0.4572 O.2 1 UNL11 -0.8908 8 O 8.1340 3.7674 0.1379 O.2 1 UNL11 -0.9159 9 O 6.0203 4.2968 -1.0939 O.2 1 UNL11 -0.8915 10 N -4.6369 -1.9026 1.2877 N.pl3 1 UNL11 -0.5331 11 N 5.1621 -2.1003 0.1923 N.pl3 1 UNL11 -0.5318 12 C -1.1652 -3.6968 -0.2183 C.ar 1 UNL11 -0.1795 13 C 1.3630 -3.7509 -0.4649 C.ar 1 UNL11 -0.2209 14 C -3.4630 -2.4790 0.7588 C.ar 1 UNL11 0.2255 15 C 3.8758 -2.6258 -0.0286 C.ar 1 UNL11 0.2576 16 C 0.0502 -4.3659 -0.7538 C.2 1 UNL11 0.4701 17 C -5.1727 -0.6855 0.8804 C.ar 1 UNL11 0.3044 18 C 5.4883 -0.7466 0.1203 C.ar 1 UNL11 0.2987 19 C -1.4994 -3.8341 1.1284 C.ar 1 UNL11 -0.0671 20 C 2.5164 -4.4342 -0.8652 C.ar 1 UNL11 -0.0122 21 C -1.9865 -2.9753 -1.0830 C.ar 1 UNL11 -0.0558 22 C 1.4742 -2.5150 0.1756 C.ar 1 UNL11 -0.0318 23 C -2.6482 -3.2301 1.6243 C.ar 1 UNL11 -0.2424 24 C 3.7720 -3.8859 -0.6455 C.ar 1 UNL11 -0.2782 25 C -3.1373 -2.3624 -0.6007 C.ar 1 UNL11 -0.2433 26 C 2.7222 -1.9495 0.4008 C.ar 1 UNL11 -0.2732 27 C -6.3373 1.7446 0.1342 C.ar 1 UNL11 -0.4798 28 C 6.2517 1.9398 0.0117 C.ar 1 UNL11 -0.4734 29 C -4.4150 0.2775 0.1866 C.ar 1 UNL11 -0.3186 30 C 4.6555 0.1987 -0.5061 C.ar 1 UNL11 -0.3121 31 C -6.5136 -0.4053 1.2267 C.ar 1 UNL11 -0.3192 32 C 6.7258 -0.3392 0.6645 C.ar 1 UNL11 -0.3127 33 C -5.0028 1.4787 -0.1825 C.ar 1 UNL11 0.0282 34 C 5.0407 1.5311 -0.5515 C.ar 1 UNL11 0.0247 35 C -7.0823 0.8000 0.8465 C.ar 1 UNL11 0.0239 36 C 7.0925 0.9967 0.6092 C.ar 1 UNL11 0.0216 37 H -5.1180 -2.4207 2.0134 H 1 UNL11 0.3209 38 H 5.9174 -2.7643 0.3242 H 1 UNL11 0.3212 39 H -0.8615 -4.4186 1.7939 H 1 UNL11 0.1613 40 H 2.4189 -5.4056 -1.3635 H 1 UNL11 0.1762 41 H -1.7344 -2.9011 -2.1430 H 1 UNL11 0.1648 42 H 0.5763 -1.9858 0.5064 H 1 UNL11 0.1641 43 H -2.9081 -3.3307 2.6751 H 1 UNL11 0.1653 44 H 4.6640 -4.4177 -0.9663 H 1 UNL11 0.1668 45 H -3.7939 -1.8208 -1.2805 H 1 UNL11 0.1747 46 H 2.8055 -0.9991 0.9255 H 1 UNL11 0.1752 47 H -3.3668 0.0960 -0.0376 H 1 UNL11 0.1727 48 H 3.7260 -0.1108 -0.9787 H 1 UNL11 0.1744 49 H -7.1004 -1.1349 1.7763 H 1 UNL11 0.1630 50 H 7.3824 -1.0645 1.1357 H 1 UNL11 0.1633 51 H -4.3952 2.2210 -0.7180 H 1 UNL11 0.1710 52 H 4.3811 2.2550 -1.0505 H 1 UNL11 0.1739 53 H -8.1281 1.0022 1.1174 H 1 UNL11 0.1724 54 H 8.0575 1.2995 1.0384 H 1 UNL11 0.1716 55 H -8.2649 3.3376 -2.2686 H 1 UNL11 0.3844 56 H 6.4029 4.9211 1.7902 H 1 UNL11 0.3846 @BOND 1 1 4 1 2 1 6 2 3 1 7 2 4 1 27 1 5 2 5 1 6 2 8 2 7 2 9 2 8 2 28 1 9 3 16 2 10 4 55 1 11 5 56 1 12 10 14 1 13 10 17 1 14 10 37 1 15 11 15 1 16 11 18 1 17 11 38 1 18 12 16 1 19 12 19 ar 20 12 21 ar 21 13 16 1 22 13 20 ar 23 13 22 ar 24 14 23 ar 25 14 25 ar 26 15 24 ar 27 15 26 ar 28 17 29 ar 29 17 31 ar 30 18 30 ar 31 18 32 ar 32 19 23 ar 33 19 39 1 34 20 24 ar 35 20 40 1 36 21 25 ar 37 21 41 1 38 22 26 ar 39 22 42 1 40 23 43 1 41 24 44 1 42 25 45 1 43 26 46 1 44 27 33 ar 45 27 35 ar 46 28 34 ar 47 28 36 ar 48 29 33 ar 49 29 47 1 50 30 34 ar 51 30 48 1 52 31 35 ar 53 31 49 1 54 32 36 ar 55 32 50 1 56 33 51 1 57 34 52 1 58 35 53 1 59 36 54 1