@MOLECULE 9-anthracenecarboxylic acid 27 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0233 -2.7228 1.1664 O.3 1 UNL111111111 -0.5416 2 O 0.0059 -2.9352 -1.0502 O.2 1 UNL111111111 -0.4832 3 C -1.2216 -0.0502 -0.0260 C.ar 1 UNL111111111 0.0476 4 C 1.2239 -0.0544 -0.0261 C.ar 1 UNL111111111 0.0477 5 C 0.0004 -0.7335 -0.0419 C.ar 1 UNL111111111 -0.1498 6 C -1.2134 1.3730 0.0022 C.ar 1 UNL111111111 -0.0223 7 C 1.2189 1.3697 0.0035 C.ar 1 UNL111111111 -0.0223 8 C 0.0037 2.0589 0.0165 C.ar 1 UNL111111111 -0.1283 9 C -2.4834 -0.7333 -0.0417 C.ar 1 UNL111111111 -0.1586 10 C 2.4843 -0.7399 -0.0407 C.ar 1 UNL111111111 -0.1589 11 C -2.4640 2.0756 0.0165 C.ar 1 UNL111111111 -0.1384 12 C 2.4710 2.0695 0.0207 C.ar 1 UNL111111111 -0.1384 13 C -3.6520 -0.0330 -0.0275 C.ar 1 UNL111111111 -0.1220 14 C 3.6543 -0.0423 -0.0245 C.ar 1 UNL111111111 -0.1217 15 C -3.6437 1.3948 0.0032 C.ar 1 UNL111111111 -0.1497 16 C 3.6489 1.3858 0.0077 C.ar 1 UNL111111111 -0.1498 17 C -0.0036 -2.2093 -0.0920 C.2 1 UNL111111111 0.6418 18 H 0.0050 3.1495 0.0390 H 1 UNL111111111 0.1599 19 H -2.4852 -1.8232 -0.0674 H 1 UNL111111111 0.1630 20 H 2.4831 -1.8299 -0.0670 H 1 UNL111111111 0.1631 21 H -2.4404 3.1638 0.0384 H 1 UNL111111111 0.1525 22 H 2.4499 3.1576 0.0442 H 1 UNL111111111 0.1525 23 H -4.6140 -0.5441 -0.0399 H 1 UNL111111111 0.1531 24 H 4.6152 -0.5553 -0.0361 H 1 UNL111111111 0.1532 25 H -4.5980 1.9175 0.0147 H 1 UNL111111111 0.1511 26 H 4.6044 1.9066 0.0207 H 1 UNL111111111 0.1511 27 H -0.0265 -3.7119 1.1912 H 1 UNL111111111 0.3486 @BOND 1 1 17 1 2 1 27 1 3 2 17 2 4 3 5 ar 5 3 6 ar 6 3 9 ar 7 4 5 ar 8 4 7 ar 9 4 10 ar 10 5 17 1 11 6 8 ar 12 6 11 ar 13 7 8 ar 14 7 12 ar 15 8 18 1 16 9 13 ar 17 9 19 1 18 10 14 ar 19 10 20 1 20 11 15 ar 21 11 21 1 22 12 16 ar 23 12 22 1 24 13 15 ar 25 13 23 1 26 14 16 ar 27 14 24 1 28 15 25 1 29 16 26 1