@MOLECULE (2s,3s,5z,8s)-3-chloro-2-[(2e)-2-penten-4-yn-1-yl]-8-[(1e)-1-propen-1-yl]-3,4,7,8-tetrahydro-2h-oxocine 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.7169 0.9469 -1.3422 Cl 1 UNL1111111111 -0.1653 2 O -0.2433 -0.0472 -0.1830 O.3 1 UNL1111111111 -0.3784 3 C -0.7749 1.0450 0.5375 C.3 1 UNL1111111111 0.0964 4 C -2.3046 1.0274 0.3918 C.3 1 UNL1111111111 -0.0530 5 C 0.4692 -1.0058 0.5912 C.3 1 UNL1111111111 0.1136 6 C -2.9868 -0.1380 1.1018 C.3 1 UNL1111111111 -0.2976 7 C -0.1597 2.3016 -0.1175 C.3 1 UNL1111111111 -0.3296 8 C -0.5139 -1.8736 1.4079 C.3 1 UNL1111111111 -0.3279 9 C -2.7701 -1.4477 0.4105 C.2 1 UNL1111111111 -0.1495 10 C -1.6912 -2.2223 0.5593 C.2 1 UNL1111111111 -0.1294 11 C 1.1781 -1.8209 -0.4499 C.2 1 UNL1111111111 -0.2106 12 C 1.2615 2.4383 0.3164 C.2 1 UNL1111111111 -0.1090 13 C 2.3954 -2.3314 -0.2529 C.2 1 UNL1111111111 -0.1194 14 C 2.2337 1.6718 -0.2011 C.2 1 UNL1111111111 -0.1528 15 C 3.1071 -3.1395 -1.2803 C.3 1 UNL1111111111 -0.4421 16 C 3.5766 1.7538 0.2050 C.1 1 UNL1111111111 -0.0554 17 C 4.7393 1.8050 0.5441 C.1 1 UNL1111111111 -0.2199 18 H -0.5072 1.0012 1.6179 H 1 UNL1111111111 0.1286 19 H -2.7300 1.9965 0.7377 H 1 UNL1111111111 0.1456 20 H 1.1816 -0.4777 1.2665 H 1 UNL1111111111 0.1242 21 H -4.0790 0.0637 1.1772 H 1 UNL1111111111 0.1533 22 H -2.6338 -0.1902 2.1543 H 1 UNL1111111111 0.1524 23 H -0.2198 2.1979 -1.2274 H 1 UNL1111111111 0.1861 24 H -0.7513 3.2019 0.1276 H 1 UNL1111111111 0.1521 25 H -0.8225 -1.3335 2.3234 H 1 UNL1111111111 0.1434 26 H 0.0063 -2.7856 1.7621 H 1 UNL1111111111 0.1539 27 H -3.5778 -1.7418 -0.2613 H 1 UNL1111111111 0.1507 28 H -1.5974 -3.1626 0.0165 H 1 UNL1111111111 0.1452 29 H 0.6170 -1.9466 -1.3758 H 1 UNL1111111111 0.1722 30 H 1.4578 3.1857 1.0822 H 1 UNL1111111111 0.1468 31 H 2.9445 -2.1837 0.6764 H 1 UNL1111111111 0.1407 32 H 2.0151 0.9172 -0.9727 H 1 UNL1111111111 0.1878 33 H 3.3604 -4.1384 -0.8972 H 1 UNL1111111111 0.1519 34 H 2.5172 -3.2829 -2.1960 H 1 UNL1111111111 0.1545 35 H 4.0503 -2.6556 -1.5765 H 1 UNL1111111111 0.1566 36 H 5.7244 1.8509 0.8296 H 1 UNL1111111111 0.1836 @BOND 1 1 4 1 2 2 3 1 3 2 5 1 4 3 4 1 5 3 7 1 6 3 18 1 7 4 6 1 8 4 19 1 9 5 8 1 10 5 11 1 11 5 20 1 12 6 9 1 13 6 21 1 14 6 22 1 15 7 12 1 16 7 23 1 17 7 24 1 18 8 10 1 19 8 25 1 20 8 26 1 21 9 10 2 22 9 27 1 23 10 28 1 24 11 13 2 25 11 29 1 26 12 14 2 27 12 30 1 28 13 15 1 29 13 31 1 30 14 16 1 31 14 32 1 32 15 33 1 33 15 34 1 34 15 35 1 35 16 17 3 36 17 36 1