@MOLECULE 1,6,8-trihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1295 -2.0872 -0.0050 O.3 1 UNL1111111111 -0.4564 2 O 0.4200 -2.3866 -0.0182 O.2 1 UNL1111111111 -0.4845 3 O 1.1206 2.9167 -0.0014 O.2 1 UNL1111111111 -0.3920 4 O 2.9102 -2.7417 -0.0296 O.3 1 UNL1111111111 -0.3857 5 O 5.7719 0.9860 0.0359 O.3 1 UNL1111111111 -0.4520 6 O -4.8348 -0.6843 1.1715 O.3 1 UNL1111111111 -0.5442 7 O -5.0052 -0.7702 -1.0471 O.2 1 UNL1111111111 -0.4857 8 C -0.5556 -0.2652 -0.0151 C.ar 1 UNL1111111111 -0.3409 9 C -0.4065 1.1274 -0.0130 C.ar 1 UNL1111111111 0.0140 10 C 1.9455 -0.5987 -0.0105 C.ar 1 UNL1111111111 -0.3014 11 C 2.1268 0.7928 -0.0026 C.ar 1 UNL1111111111 0.0394 12 C 0.5999 -1.1780 -0.0154 C.2 1 UNL1111111111 0.5368 13 C 0.9560 1.7200 -0.0060 C.2 1 UNL1111111111 0.4254 14 C -1.8649 -0.7831 -0.0148 C.ar 1 UNL1111111111 0.4208 15 C -1.4991 1.9763 -0.0190 C.ar 1 UNL1111111111 -0.2324 16 C -2.8071 1.4529 -0.0274 C.ar 1 UNL1111111111 0.1912 17 C -2.9866 0.0751 -0.0313 C.ar 1 UNL1111111111 -0.2709 18 C 3.0973 -1.4130 -0.0074 C.ar 1 UNL1111111111 0.3976 19 C 3.3868 1.3643 0.0120 C.ar 1 UNL1111111111 -0.3349 20 C 4.5080 0.5157 0.0210 C.ar 1 UNL1111111111 0.3830 21 C -3.9786 2.3671 -0.0382 C.3 1 UNL1111111111 -0.4800 22 C 4.3885 -0.8694 0.0143 C.ar 1 UNL1111111111 -0.4224 23 C -4.3390 -0.5071 -0.0819 C.2 1 UNL1111111111 0.6719 24 H -1.3479 3.0580 -0.0185 H 1 UNL1111111111 0.1857 25 H 3.5032 2.4478 0.0178 H 1 UNL1111111111 0.1913 26 H -4.6195 2.2112 0.8473 H 1 UNL1111111111 0.1809 27 H -3.7009 3.4302 -0.0484 H 1 UNL1111111111 0.1671 28 H -4.6151 2.1942 -0.9237 H 1 UNL1111111111 0.1825 29 H 5.2753 -1.4955 0.0213 H 1 UNL1111111111 0.1912 30 H -1.2571 -2.6387 -0.0123 H 1 UNL1111111111 0.3917 31 H 3.7682 -3.2465 0.0218 H 1 UNL1111111111 0.3239 32 H 5.8116 1.9765 0.0349 H 1 UNL1111111111 0.3376 33 H -5.7319 -1.1052 1.1805 H 1 UNL1111111111 0.3511 @BOND 1 1 14 1 2 1 30 1 3 2 12 2 4 3 13 2 5 4 18 1 6 4 31 1 7 5 20 1 8 5 32 1 9 6 23 1 10 6 33 1 11 7 23 2 12 8 9 ar 13 8 12 1 14 8 14 ar 15 9 13 1 16 9 15 ar 17 10 11 ar 18 10 12 1 19 10 18 ar 20 11 13 1 21 11 19 ar 22 14 17 ar 23 15 16 ar 24 15 24 1 25 16 17 ar 26 16 21 1 27 17 23 1 28 18 22 ar 29 19 20 ar 30 19 25 1 31 20 22 ar 32 21 26 1 33 21 27 1 34 21 28 1 35 22 29 1