@MOLECULE 1,4-benzenedisulfonic acid 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.1392 -0.0016 0.1029 S.O2 1 UNL1111111111 2.3781 2 S 3.1396 0.0060 0.1024 S.O2 1 UNL1111111111 2.3781 3 O -3.3899 0.0860 -1.5303 O.3 1 UNL1111111111 -0.8370 4 O 3.3827 0.0094 -1.5342 O.3 1 UNL1111111111 -0.8370 5 O -3.6449 -1.2864 0.5070 O.2 1 UNL1111111111 -0.8963 6 O -3.6318 1.2121 0.6889 O.2 1 UNL1111111111 -0.8692 7 O 3.6316 1.2481 0.6253 O.2 1 UNL1111111111 -0.8698 8 O 3.6494 -1.2557 0.5690 O.2 1 UNL1111111111 -0.8954 9 C -1.3884 0.0006 0.1020 C.ar 1 UNL1111111111 -0.3343 10 C 1.3888 0.0050 0.1036 C.ar 1 UNL1111111111 -0.3339 11 C -0.6997 1.2105 0.0669 C.ar 1 UNL1111111111 -0.0912 12 C 0.6963 1.2124 0.0683 C.ar 1 UNL1111111111 -0.0922 13 C -0.6944 -1.2067 0.1416 C.ar 1 UNL1111111111 -0.0971 14 C 0.7005 -1.2049 0.1431 C.ar 1 UNL1111111111 -0.0966 15 H -1.2337 2.1680 0.0461 H 1 UNL1111111111 0.1774 16 H 1.2274 2.1719 0.0488 H 1 UNL1111111111 0.1781 17 H -1.2263 -2.1651 0.1790 H 1 UNL1111111111 0.1778 18 H 1.2344 -2.1619 0.1826 H 1 UNL1111111111 0.1774 19 H -4.2302 -0.2437 -1.8737 H 1 UNL1111111111 0.3916 20 H 4.2268 -0.3244 -1.8634 H 1 UNL1111111111 0.3913 @BOND 1 1 3 1 2 1 5 2 3 1 6 2 4 1 9 1 5 2 4 1 6 2 7 2 7 2 8 2 8 2 10 1 9 3 19 1 10 4 20 1 11 9 11 ar 12 9 13 ar 13 10 12 ar 14 10 14 ar 15 11 12 ar 16 11 15 1 17 12 16 1 18 13 14 ar 19 13 17 1 20 14 18 1