@MOLECULE 2-anthraquinonesulfonic acid 28 30 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.1454 -0.6848 -0.1706 C.ar 1 UNL1111 -0.0139 2 C 0.1845 -0.2645 -0.1854 C.ar 1 UNL1111 -0.1490 3 C 1.2592 -1.2832 -0.2611 C.2 1 UNL1111 0.4413 4 O 1.0046 -2.4455 -0.4762 O.2 1 UNL1111 -0.4060 5 C 2.6521 -0.8250 -0.0490 C.ar 1 UNL1111 -0.1218 6 C 3.6621 -1.7743 0.0837 C.ar 1 UNL1111 -0.0906 7 C 4.9806 -1.3617 0.2903 C.ar 1 UNL1111 -0.1308 8 C 5.2854 -0.0057 0.3587 C.ar 1 UNL1111 -0.1338 9 C 4.2747 0.9482 0.2196 C.ar 1 UNL1111 -0.0879 10 C 2.9591 0.5383 0.0180 C.ar 1 UNL1111 -0.1228 11 C 1.9016 1.5631 -0.1264 C.2 1 UNL1111 0.4276 12 O 2.1666 2.7379 -0.2320 O.2 1 UNL1111 -0.4003 13 C 0.4882 1.0979 -0.1249 C.ar 1 UNL1111 -0.0614 14 C -0.5326 2.0418 -0.0597 C.ar 1 UNL1111 -0.1334 15 C -1.8643 1.6222 -0.0347 C.ar 1 UNL1111 -0.0456 16 C -2.1651 0.2629 -0.0819 C.ar 1 UNL1111 -0.3775 17 S -3.8349 -0.2548 -0.0161 S.O2 1 UNL1111 2.3986 18 O -4.6940 0.8221 -0.4187 O.2 1 UNL1111 -0.8783 19 O -3.9928 -1.5787 -0.5553 O.2 1 UNL1111 -0.8975 20 O -3.9709 -0.4336 1.6242 O.3 1 UNL1111 -0.8395 21 H -1.3620 -1.7636 -0.2362 H 1 UNL1111 0.1975 22 H 3.4168 -2.8388 0.0235 H 1 UNL1111 0.1784 23 H 5.7697 -2.1062 0.3961 H 1 UNL1111 0.1586 24 H 6.3143 0.3165 0.5188 H 1 UNL1111 0.1587 25 H 4.5091 2.0157 0.2653 H 1 UNL1111 0.1774 26 H -0.2863 3.1071 -0.0282 H 1 UNL1111 0.1815 27 H -2.6594 2.3780 0.0169 H 1 UNL1111 0.1801 28 H -4.5862 -1.1018 1.9507 H 1 UNL1111 0.3903 @BOND 1 1 16 ar 2 1 2 ar 3 2 13 ar 4 3 2 1 5 3 5 1 6 4 3 2 7 5 10 ar 8 6 5 ar 9 6 7 ar 10 7 8 ar 11 8 24 1 12 8 9 ar 13 9 25 1 14 10 9 ar 15 10 11 1 16 11 12 2 17 13 11 1 18 13 14 ar 19 14 26 1 20 15 14 ar 21 15 27 1 22 16 15 ar 23 17 16 1 24 17 20 1 25 18 17 2 26 19 17 2 27 20 28 1 28 21 1 1 29 22 6 1 30 23 7 1