@MOLECULE 1,11-hexadecadien-3-one 45 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0825 0.8754 -0.6439 O.2 1 UNL1111111111 -0.4519 2 C -0.0639 1.7588 -0.0767 C.3 1 UNL1111111111 -0.2704 3 C 1.3672 1.5576 0.4333 C.3 1 UNL1111111111 -0.2800 4 C -0.9804 0.6525 0.4624 C.3 1 UNL1111111111 -0.2723 5 C 2.3265 2.5854 -0.1800 C.3 1 UNL1111111111 -0.2584 6 C -2.4106 0.8351 -0.0560 C.3 1 UNL1111111111 -0.2487 7 C 3.7876 2.2514 0.1711 C.3 1 UNL1111111111 -0.2807 8 C -3.3178 -0.2909 0.4494 C.3 1 UNL1111111111 -0.3829 9 C 4.1673 0.9352 -0.4280 C.2 1 UNL1111111111 -0.1681 10 C 4.8086 -1.4614 -0.3013 C.3 1 UNL1111111111 -0.2772 11 C 3.9980 -2.5807 0.3745 C.3 1 UNL1111111111 -0.2597 12 C 4.5049 -0.1295 0.3050 C.2 1 UNL1111111111 -0.1615 13 C 2.4863 -2.3078 0.3880 C.3 1 UNL1111111111 -0.2480 14 C -4.7382 -0.0983 -0.0173 C.2 1 UNL1111111111 0.4672 15 C 1.8940 -2.2241 -1.0187 C.3 1 UNL1111111111 -0.4380 16 C -5.6949 -1.1726 0.3401 C.2 1 UNL1111111111 -0.2972 17 C -6.9640 -1.1196 -0.0675 C.2 1 UNL1111111111 -0.1839 18 H -0.0770 1.7546 -1.1828 H 1 UNL1111111111 0.1384 19 H -0.4421 2.7519 0.2280 H 1 UNL1111111111 0.1380 20 H 1.7122 0.5333 0.1830 H 1 UNL1111111111 0.1482 21 H 1.3955 1.6223 1.5358 H 1 UNL1111111111 0.1344 22 H -0.5892 -0.3379 0.1616 H 1 UNL1111111111 0.1354 23 H -0.9708 0.6607 1.5681 H 1 UNL1111111111 0.1349 24 H 2.2030 2.6117 -1.2790 H 1 UNL1111111111 0.1378 25 H 2.0769 3.6000 0.1801 H 1 UNL1111111111 0.1345 26 H -2.4233 0.8614 -1.1632 H 1 UNL1111111111 0.1491 27 H -2.8158 1.8172 0.2590 H 1 UNL1111111111 0.1516 28 H 4.4579 3.0489 -0.2092 H 1 UNL1111111111 0.1438 29 H 3.9196 2.2535 1.2706 H 1 UNL1111111111 0.1421 30 H -2.9371 -1.2730 0.1033 H 1 UNL1111111111 0.1645 31 H -3.2964 -0.3327 1.5576 H 1 UNL1111111111 0.1653 32 H 4.1161 0.8980 -1.5141 H 1 UNL1111111111 0.1425 33 H 4.6060 -1.4635 -1.3911 H 1 UNL1111111111 0.1439 34 H 5.8931 -1.6775 -0.2035 H 1 UNL1111111111 0.1426 35 H 4.3519 -2.7156 1.4145 H 1 UNL1111111111 0.1316 36 H 4.1984 -3.5384 -0.1418 H 1 UNL1111111111 0.1337 37 H 4.5625 -0.0945 1.3905 H 1 UNL1111111111 0.1429 38 H 1.9770 -3.1064 0.9607 H 1 UNL1111111111 0.1286 39 H 2.2836 -1.3666 0.9362 H 1 UNL1111111111 0.1377 40 H 2.1253 -3.1193 -1.6052 H 1 UNL1111111111 0.1424 41 H 0.8044 -2.1179 -0.9855 H 1 UNL1111111111 0.1371 42 H 2.2900 -1.3590 -1.5645 H 1 UNL1111111111 0.1475 43 H -5.3040 -1.9881 0.9422 H 1 UNL1111111111 0.1582 44 H -7.7018 -1.8748 0.1637 H 1 UNL1111111111 0.1418 45 H -7.3538 -0.3029 -0.6690 H 1 UNL1111111111 0.1633 @BOND 1 1 14 2 2 2 3 1 3 2 4 1 4 2 18 1 5 2 19 1 6 3 5 1 7 3 20 1 8 3 21 1 9 4 6 1 10 4 22 1 11 4 23 1 12 5 7 1 13 5 24 1 14 5 25 1 15 6 8 1 16 6 26 1 17 6 27 1 18 7 9 1 19 7 28 1 20 7 29 1 21 8 14 1 22 8 30 1 23 8 31 1 24 9 12 2 25 9 32 1 26 10 11 1 27 10 12 1 28 10 33 1 29 10 34 1 30 11 13 1 31 11 35 1 32 11 36 1 33 12 37 1 34 13 15 1 35 13 38 1 36 13 39 1 37 14 16 1 38 15 40 1 39 15 41 1 40 15 42 1 41 16 17 2 42 16 43 1 43 17 44 1 44 17 45 1