@MOLECULE homonicotinic acid 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3511 -0.0276 0.2676 O.3 1 UNL1111111111 -0.5704 2 O -1.8380 0.0542 -1.3671 O.2 1 UNL1111111111 -0.4785 3 N 2.2680 1.1961 -0.1121 N.ar 1 UNL1111111111 -0.3607 4 C 0.2868 -0.0262 0.5158 C.ar 1 UNL1111111111 -0.0838 5 C -1.1298 0.0006 0.9779 C.3 1 UNL1111111111 -0.3489 6 C 0.9451 -1.2327 0.2713 C.ar 1 UNL1111111111 -0.0873 7 C 0.9905 1.1715 0.3046 C.ar 1 UNL1111111111 0.0479 8 C 2.2681 -1.2119 -0.1629 C.ar 1 UNL1111111111 -0.2314 9 C -2.0696 0.0138 -0.1911 C.2 1 UNL1111111111 0.6440 10 C 2.8957 0.0279 -0.3421 C.ar 1 UNL1111111111 0.0524 11 H -1.3351 0.8856 1.6272 H 1 UNL1111111111 0.1939 12 H -1.3643 -0.8716 1.6346 H 1 UNL1111111111 0.1943 13 H 0.4290 -2.1820 0.4116 H 1 UNL1111111111 0.1592 14 H 0.5247 2.1506 0.4667 H 1 UNL1111111111 0.1733 15 H 2.8038 -2.1349 -0.3644 H 1 UNL1111111111 0.1664 16 H 3.9345 0.1056 -0.6831 H 1 UNL1111111111 0.1712 17 H -4.0299 -0.0179 -0.4509 H 1 UNL1111111111 0.3582 @BOND 1 1 9 1 2 1 17 1 3 2 9 2 4 3 7 ar 5 3 10 ar 6 4 5 1 7 4 6 ar 8 4 7 ar 9 5 9 1 10 5 11 1 11 5 12 1 12 6 8 ar 13 6 13 1 14 7 14 1 15 8 10 ar 16 8 15 1 17 10 16 1