@MOLECULE 4-(oxoacetyl)benzoic acid 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5334 1.3300 0.1870 O.3 1 UNL1111111111 -0.5539 2 O 3.1163 -1.4769 0.5598 O.2 1 UNL1111111111 -0.3696 3 O -3.9113 -0.8204 -0.2502 O.2 1 UNL1111111111 -0.4895 4 O 3.4529 1.6854 -0.1562 O.2 1 UNL1111111111 -0.3692 5 C 1.1126 -0.3297 0.0515 C.ar 1 UNL1111111111 -0.1082 6 C -1.6445 -0.0480 0.0018 C.ar 1 UNL1111111111 -0.1096 7 C 0.5437 0.9273 0.2571 C.ar 1 UNL1111111111 -0.1326 8 C 0.3075 -1.4509 -0.1640 C.ar 1 UNL1111111111 -0.1185 9 C -0.8421 1.0696 0.2345 C.ar 1 UNL1111111111 -0.0876 10 C -1.0764 -1.3095 -0.1953 C.ar 1 UNL1111111111 -0.1010 11 C 2.5788 -0.5125 0.0798 C.2 1 UNL1111111111 0.3406 12 C -3.1140 0.0578 -0.0421 C.2 1 UNL1111111111 0.6325 13 C 3.4328 0.5629 -0.5838 C.2 1 UNL1111111111 0.2501 14 H 1.1764 1.7996 0.4456 H 1 UNL1111111111 0.1821 15 H 0.7645 -2.4339 -0.2975 H 1 UNL1111111111 0.1733 16 H -1.2970 2.0508 0.3977 H 1 UNL1111111111 0.1813 17 H -1.7205 -2.1771 -0.3675 H 1 UNL1111111111 0.1803 18 H 4.0209 0.2446 -1.4520 H 1 UNL1111111111 0.1393 19 H -4.5195 1.4251 0.1650 H 1 UNL1111111111 0.3602 @BOND 1 1 12 1 2 1 19 1 3 2 11 2 4 3 12 2 5 4 13 2 6 5 7 ar 7 5 8 ar 8 5 11 1 9 6 9 ar 10 6 10 ar 11 6 12 1 12 7 9 ar 13 7 14 1 14 8 10 ar 15 8 15 1 16 9 16 1 17 10 17 1 18 11 13 1 19 13 18 1