@MOLECULE 4-benzoylbenzoic acid 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6334 2.4543 -0.0197 O.2 1 UNL1111111111 -0.4075 2 O 4.6174 -0.6433 -1.1464 O.3 1 UNL1111111111 -0.5595 3 O 4.7548 -0.6927 1.0746 O.2 1 UNL1111111111 -0.4986 4 C 0.0545 0.8201 0.0104 C.ar 1 UNL1111111111 -0.0699 5 C -2.4145 0.2336 -0.0030 C.ar 1 UNL1111111111 -0.1725 6 C -1.3652 1.2772 -0.0048 C.2 1 UNL1111111111 0.4434 7 C 0.7171 0.6064 -1.1969 C.ar 1 UNL1111111111 -0.1612 8 C 0.6991 0.6253 1.2308 C.ar 1 UNL1111111111 -0.1578 9 C 2.6890 -0.0258 0.0350 C.ar 1 UNL1111111111 -0.1414 10 C 2.0431 0.1797 -1.1856 C.ar 1 UNL1111111111 -0.0637 11 C 2.0237 0.1990 1.2438 C.ar 1 UNL1111111111 -0.0730 12 C -2.0970 -1.1263 0.0145 C.ar 1 UNL1111111111 -0.0966 13 C -3.7513 0.6395 -0.0201 C.ar 1 UNL1111111111 -0.0692 14 C -3.1145 -2.0761 0.0144 C.ar 1 UNL1111111111 -0.1745 15 C -4.7679 -0.3125 -0.0203 C.ar 1 UNL1111111111 -0.1787 16 C -4.4490 -1.6693 -0.0032 C.ar 1 UNL1111111111 -0.0990 17 C 4.0877 -0.4755 0.0953 C.2 1 UNL1111111111 0.6374 18 H 0.2049 0.7768 -2.1437 H 1 UNL1111111111 0.1668 19 H 0.1733 0.8104 2.1675 H 1 UNL1111111111 0.1681 20 H 2.5746 0.0091 -2.1255 H 1 UNL1111111111 0.1760 21 H 2.5473 0.0405 2.1912 H 1 UNL1111111111 0.1766 22 H -1.0550 -1.4500 0.0283 H 1 UNL1111111111 0.1604 23 H -3.9910 1.7068 -0.0333 H 1 UNL1111111111 0.1731 24 H -2.8690 -3.1364 0.0281 H 1 UNL1111111111 0.1559 25 H -5.8094 0.0034 -0.0337 H 1 UNL1111111111 0.1566 26 H -5.2435 -2.4148 -0.0032 H 1 UNL1111111111 0.1501 27 H 5.5631 -0.9346 -1.1302 H 1 UNL1111111111 0.3588 @BOND 1 1 6 2 2 2 17 1 3 2 27 1 4 3 17 2 5 4 6 1 6 4 7 ar 7 4 8 ar 8 5 6 1 9 5 12 ar 10 5 13 ar 11 7 10 ar 12 7 18 1 13 8 11 ar 14 8 19 1 15 9 10 ar 16 9 11 ar 17 9 17 1 18 10 20 1 19 11 21 1 20 12 14 ar 21 12 22 1 22 13 15 ar 23 13 23 1 24 14 16 ar 25 14 24 1 26 15 16 ar 27 15 25 1 28 16 26 1