@MOLECULE 2-anthracenecarboxylic acid 27 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9105 0.4390 0.0009 O.3 1 UNL111111111 -0.5553 2 O -4.2940 -1.6981 -0.0009 O.2 1 UNL111111111 -0.5079 3 C -0.2030 -0.3689 0.0002 C.ar 1 UNL111111111 -0.0459 4 C 0.0147 1.0386 -0.0003 C.ar 1 UNL111111111 0.0320 5 C 2.1953 -0.7465 -0.0000 C.ar 1 UNL111111111 -0.0212 6 C 2.4142 0.6611 -0.0003 C.ar 1 UNL111111111 0.0175 7 C 0.8893 -1.2412 0.0003 C.ar 1 UNL111111111 -0.1333 8 C 1.3218 1.5320 -0.0004 C.ar 1 UNL111111111 -0.1860 9 C -1.5470 -0.8622 0.0003 C.ar 1 UNL111111111 -0.0515 10 C -1.1189 1.9185 -0.0004 C.ar 1 UNL111111111 -0.1722 11 C -2.6008 0.0100 0.0001 C.ar 1 UNL111111111 -0.1470 12 C 3.3299 -1.6249 -0.0003 C.ar 1 UNL111111111 -0.1428 13 C 3.7627 1.1522 0.0001 C.ar 1 UNL111111111 -0.1607 14 C -2.3872 1.4227 0.0000 C.ar 1 UNL111111111 -0.0924 15 C 4.5961 -1.1240 0.0001 C.ar 1 UNL111111111 -0.1489 16 C 4.8157 0.2885 0.0004 C.ar 1 UNL111111111 -0.1316 17 C -3.9641 -0.5382 0.0001 C.2 1 UNL111111111 0.6423 18 H 0.7204 -2.3188 0.0007 H 1 UNL111111111 0.1628 19 H 1.4920 2.6080 -0.0006 H 1 UNL111111111 0.1612 20 H -1.7114 -1.9446 0.0004 H 1 UNL111111111 0.1758 21 H -0.9345 2.9917 -0.0010 H 1 UNL111111111 0.1590 22 H 3.1471 -2.6987 -0.0005 H 1 UNL111111111 0.1554 23 H 3.9157 2.2302 0.0005 H 1 UNL111111111 0.1560 24 H -3.2570 2.0835 0.0004 H 1 UNL111111111 0.1742 25 H 5.4639 -1.7812 0.0008 H 1 UNL111111111 0.1529 26 H 5.8426 0.6509 0.0010 H 1 UNL111111111 0.1520 27 H -5.8338 0.0826 0.0005 H 1 UNL111111111 0.3559 @BOND 1 1 17 1 2 1 27 1 3 2 17 2 4 3 4 ar 5 3 7 ar 6 3 9 ar 7 4 8 ar 8 4 10 ar 9 5 6 ar 10 5 7 ar 11 5 12 ar 12 6 8 ar 13 6 13 ar 14 7 18 1 15 8 19 1 16 9 11 ar 17 9 20 1 18 10 14 ar 19 10 21 1 20 11 14 ar 21 11 17 1 22 12 15 ar 23 12 22 1 24 13 16 ar 25 13 23 1 26 14 24 1 27 15 16 ar 28 15 25 1 29 16 26 1