@MOLECULE (z,e)-2,4-heptadienal 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1500 0.1423 -0.2020 O.2 1 UNL1111111111 -0.4308 2 C 3.1113 0.4915 0.2283 C.3 1 UNL1111111111 -0.2741 3 C 1.8003 -0.2148 0.3286 C.2 1 UNL1111111111 -0.0827 4 C 4.1473 -0.3807 -0.4834 C.3 1 UNL1111111111 -0.4311 5 C 0.6311 0.3920 0.0754 C.2 1 UNL1111111111 -0.2299 6 C -0.6436 -0.2986 0.1833 C.2 1 UNL1111111111 -0.0550 7 C -1.8137 0.3035 -0.0778 C.2 1 UNL1111111111 -0.3137 8 C -3.0990 -0.4074 0.0331 C.2 1 UNL1111111111 0.3374 9 H 3.0133 1.4629 -0.2992 H 1 UNL1111111111 0.1502 10 H 3.4692 0.7495 1.2496 H 1 UNL1111111111 0.1548 11 H 1.8589 -1.2611 0.6287 H 1 UNL1111111111 0.1448 12 H 3.8142 -0.6520 -1.4926 H 1 UNL1111111111 0.1492 13 H 4.3389 -1.3112 0.0627 H 1 UNL1111111111 0.1446 14 H 5.1045 0.1439 -0.5848 H 1 UNL1111111111 0.1464 15 H 0.5881 1.4398 -0.2274 H 1 UNL1111111111 0.1617 16 H -0.5996 -1.3481 0.4910 H 1 UNL1111111111 0.1443 17 H -1.8858 1.3466 -0.3857 H 1 UNL1111111111 0.1790 18 H -3.0844 -1.4629 0.3382 H 1 UNL1111111111 0.1050 @BOND 1 1 8 2 2 2 3 1 3 2 4 1 4 2 9 1 5 2 10 1 6 3 5 2 7 3 11 1 8 4 12 1 9 4 13 1 10 4 14 1 11 5 6 1 12 5 15 1 13 6 7 2 14 6 16 1 15 7 8 1 16 7 17 1 17 8 18 1