@MOLECULE a-oxobenzeneacetaldehyde aldoxime 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8162 2.1976 -0.0007 O.2 1 UNL111111111 -0.3995 2 O 3.6368 -1.1185 0.0585 O.2 1 UNL111111111 -0.3271 3 N 2.5304 -0.4166 0.4925 N.2 1 UNL111111111 -0.1126 4 C -0.5955 0.3108 -0.0757 C.ar 1 UNL111111111 -0.1664 5 C -0.6999 -1.0765 -0.1945 C.ar 1 UNL111111111 -0.0875 6 C -1.7434 1.0843 0.1210 C.ar 1 UNL111111111 -0.0679 7 C -1.9490 -1.6879 -0.1203 C.ar 1 UNL111111111 -0.1755 8 C -2.9911 0.4705 0.1944 C.ar 1 UNL111111111 -0.1796 9 C -3.0934 -0.9147 0.0733 C.ar 1 UNL111111111 -0.0979 10 C 0.7062 1.0057 -0.1431 C.2 1 UNL111111111 0.4711 11 C 1.9216 0.1841 -0.4675 C.2 1 UNL111111111 -0.1571 12 H 0.1915 -1.6882 -0.3387 H 1 UNL111111111 0.1601 13 H -1.6535 2.1701 0.2182 H 1 UNL111111111 0.1729 14 H -2.0310 -2.7695 -0.2118 H 1 UNL111111111 0.1556 15 H -3.8852 1.0721 0.3473 H 1 UNL111111111 0.1563 16 H -4.0696 -1.3947 0.1308 H 1 UNL111111111 0.1494 17 H 2.2129 0.1926 -1.5249 H 1 UNL111111111 0.1885 18 H 4.0148 -1.4891 0.9148 H 1 UNL111111111 0.3170 @BOND 1 1 10 2 2 2 3 1 3 2 18 1 4 3 11 2 5 4 5 ar 6 4 6 ar 7 4 10 1 8 5 7 ar 9 5 12 1 10 6 8 ar 11 6 13 1 12 7 9 ar 13 7 14 1 14 8 9 ar 15 8 15 1 16 9 16 1 17 10 11 1 18 11 17 1