@MOLECULE cuminaldehyde 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8292 -0.8111 -0.0006 O.2 1 UNL1111111111 -0.4347 2 C 2.5779 0.2650 0.0000 C.3 1 UNL1111111111 -0.0901 3 C 1.0713 0.2461 0.0002 C.ar 1 UNL1111111111 0.0548 4 C 3.1129 -0.4206 -1.2639 C.3 1 UNL1111111111 -0.4447 5 C 3.1128 -0.4224 1.2631 C.3 1 UNL1111111111 -0.4447 6 C 0.3618 1.4514 0.0007 C.ar 1 UNL1111111111 -0.2117 7 C 0.3722 -0.9642 0.0002 C.ar 1 UNL1111111111 -0.2051 8 C -1.0293 1.4477 0.0005 C.ar 1 UNL1111111111 -0.0910 9 C -1.0186 -0.9699 0.0000 C.ar 1 UNL1111111111 -0.0601 10 C -1.7223 0.2360 0.0002 C.ar 1 UNL1111111111 -0.1948 11 C -3.1989 0.2203 -0.0002 C.2 1 UNL1111111111 0.3428 12 H 2.9413 1.3245 0.0009 H 1 UNL1111111111 0.1404 13 H 2.8457 -1.4827 -1.2959 H 1 UNL1111111111 0.1498 14 H 4.2052 -0.3550 -1.3162 H 1 UNL1111111111 0.1477 15 H 2.7074 0.0466 -2.1691 H 1 UNL1111111111 0.1487 16 H 2.7076 0.0434 2.1690 H 1 UNL1111111111 0.1487 17 H 4.2052 -0.3567 1.3150 H 1 UNL1111111111 0.1477 18 H 2.8454 -1.4845 1.2938 H 1 UNL1111111111 0.1498 19 H 0.8981 2.3981 0.0009 H 1 UNL1111111111 0.1553 20 H 0.9175 -1.9062 -0.0000 H 1 UNL1111111111 0.1596 21 H -1.5726 2.3925 0.0006 H 1 UNL1111111111 0.1499 22 H -1.5710 -1.9140 -0.0002 H 1 UNL1111111111 0.1720 23 H -3.7199 1.1874 -0.0001 H 1 UNL1111111111 0.1099 @BOND 1 1 11 2 2 2 3 1 3 2 4 1 4 2 5 1 5 2 12 1 6 3 6 ar 7 3 7 ar 8 4 13 1 9 4 14 1 10 4 15 1 11 5 16 1 12 5 17 1 13 5 18 1 14 6 8 ar 15 6 19 1 16 7 9 ar 17 7 20 1 18 8 10 ar 19 8 21 1 20 9 10 ar 21 9 22 1 22 10 11 1 23 11 23 1