@MOLECULE 3-quinolinecarbaldehyde 19 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0289 -0.0374 0.0049 O.2 1 UNL1111111111 -0.4164 2 N -0.1824 -1.6302 -0.0010 N.ar 1 UNL1111111111 -0.3842 3 C 0.6833 0.6561 -0.0003 C.ar 1 UNL1111111111 -0.1162 4 C 0.8780 -0.7504 -0.0016 C.ar 1 UNL1111111111 0.1820 5 C -0.6487 1.1434 -0.0025 C.ar 1 UNL1111111111 -0.0409 6 C 1.8144 1.5142 0.0007 C.ar 1 UNL1111111111 -0.1251 7 C -1.6950 0.2524 -0.0013 C.ar 1 UNL1111111111 -0.2625 8 C 2.2038 -1.2767 -0.0007 C.ar 1 UNL1111111111 -0.1591 9 C 3.0792 0.9865 0.0023 C.ar 1 UNL1111111111 -0.1598 10 C -1.4113 -1.1498 -0.0000 C.ar 1 UNL1111111111 0.1205 11 C 3.2727 -0.4201 0.0012 C.ar 1 UNL1111111111 -0.1158 12 C -3.0937 0.7253 -0.0024 C.2 1 UNL1111111111 0.3490 13 H -0.8170 2.2218 -0.0025 H 1 UNL1111111111 0.1602 14 H 1.6579 2.5932 0.0013 H 1 UNL1111111111 0.1566 15 H 2.3280 -2.3607 -0.0010 H 1 UNL1111111111 0.1810 16 H 3.9544 1.6350 0.0043 H 1 UNL1111111111 0.1592 17 H -2.2397 -1.8784 0.0006 H 1 UNL1111111111 0.1967 18 H 4.2929 -0.8063 0.0014 H 1 UNL1111111111 0.1591 19 H -3.2575 1.8123 -0.0121 H 1 UNL1111111111 0.1158 @BOND 1 1 12 2 2 2 4 ar 3 2 10 ar 4 3 4 ar 5 3 5 ar 6 3 6 ar 7 4 8 ar 8 5 7 ar 9 5 13 1 10 6 9 ar 11 6 14 1 12 7 10 ar 13 7 12 1 14 8 11 ar 15 8 15 1 16 9 11 ar 17 9 16 1 18 10 17 1 19 11 18 1 20 12 19 1