@MOLECULE 5-hydroxy-4,6-dimethylnicotinaldehyde 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0734 1.5736 0.0113 O.3 1 UNL1111111111 -0.4516 2 O 3.3908 -0.7144 0.0266 O.2 1 UNL1111111111 -0.4279 3 N -0.5935 -1.7689 -0.0072 N.ar 1 UNL1111111111 -0.3761 4 C 0.1832 0.9447 -0.0052 C.ar 1 UNL1111111111 0.0740 5 C -1.1663 0.5609 0.0012 C.ar 1 UNL1111111111 0.0971 6 C 1.1335 -0.0815 -0.0106 C.ar 1 UNL1111111111 -0.2718 7 C -1.5313 -0.7998 -0.0004 C.ar 1 UNL1111111111 0.1373 8 C 0.5537 2.3826 -0.0043 C.3 1 UNL1111111111 -0.4526 9 C 0.7014 -1.4195 -0.0108 C.ar 1 UNL1111111111 0.0873 10 C -2.9579 -1.2300 0.0050 C.3 1 UNL1111111111 -0.4536 11 C 2.5853 0.1853 -0.0128 C.2 1 UNL1111111111 0.3565 12 H -0.3293 3.0458 0.0126 H 1 UNL1111111111 0.1830 13 H 1.1557 2.6498 0.8778 H 1 UNL1111111111 0.1678 14 H 1.1270 2.6571 -0.9033 H 1 UNL1111111111 0.1678 15 H 1.4278 -2.2480 -0.0136 H 1 UNL1111111111 0.1979 16 H -3.4910 -0.8938 -0.8959 H 1 UNL1111111111 0.1632 17 H -3.0399 -2.3344 0.0214 H 1 UNL1111111111 0.1940 18 H -3.4926 -0.8664 0.8942 H 1 UNL1111111111 0.1624 19 H 2.9189 1.2302 -0.0516 H 1 UNL1111111111 0.1182 20 H -3.0027 1.2339 0.0101 H 1 UNL1111111111 0.3270 @BOND 1 1 5 1 2 1 20 1 3 2 11 2 4 3 7 ar 5 3 9 ar 6 4 5 ar 7 4 6 ar 8 4 8 1 9 5 7 ar 10 6 9 ar 11 6 11 1 12 7 10 1 13 8 12 1 14 8 13 1 15 8 14 1 16 9 15 1 17 10 16 1 18 10 17 1 19 10 18 1 20 11 19 1