@MOLECULE (5z,7z)-3-chloro-9-ethyl-2-(2-penten-4-yn-1-yl)-2,3,4,9-tetrahydrooxonine 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 CL -0.8352 -1.2438 -1.6163 Cl 1 UNL111111111 -0.1757 2 O 1.1077 0.5279 -0.1770 O.3 1 UNL111111111 -0.3751 3 C -0.1122 0.2989 0.4993 C.3 1 UNL111111111 0.0859 4 C -0.5724 -1.1219 0.1456 C.3 1 UNL111111111 -0.0376 5 C 2.0591 1.2635 0.5882 C.3 1 UNL111111111 0.1053 6 C -1.0968 1.3835 0.0136 C.3 1 UNL111111111 -0.3403 7 C 0.4144 -2.2020 0.5721 C.3 1 UNL111111111 -0.3016 8 C 3.0875 1.7204 -0.4592 C.3 1 UNL111111111 -0.2720 9 C 2.6969 0.3861 1.6285 C.2 1 UNL111111111 -0.2471 10 C 1.6761 -2.1828 -0.2328 C.2 1 UNL111111111 -0.1086 11 C -2.4493 1.1509 0.5875 C.2 1 UNL111111111 -0.1148 12 C 2.4822 2.7666 -1.3904 C.3 1 UNL111111111 -0.4340 13 C 3.0058 -0.8989 1.4299 C.2 1 UNL111111111 -0.1099 14 C 2.8144 -1.6081 0.1650 C.2 1 UNL111111111 -0.1785 15 C -3.4674 0.6663 -0.1392 C.2 1 UNL111111111 -0.1476 16 C -4.7360 0.4209 0.4149 C.1 1 UNL111111111 -0.0631 17 C -5.8302 0.1994 0.8872 C.1 1 UNL111111111 -0.2094 18 H 0.0214 0.3614 1.6053 H 1 UNL111111111 0.1303 19 H -1.5812 -1.3091 0.5866 H 1 UNL111111111 0.1587 20 H 1.5486 2.1387 1.0517 H 1 UNL111111111 0.1183 21 H -0.7089 2.3820 0.3048 H 1 UNL111111111 0.1596 22 H -1.1016 1.4084 -1.0973 H 1 UNL111111111 0.1801 23 H -0.0639 -3.2032 0.4856 H 1 UNL111111111 0.1586 24 H 0.6397 -2.0796 1.6541 H 1 UNL111111111 0.1577 25 H 3.4169 0.8375 -1.0444 H 1 UNL111111111 0.1580 26 H 3.9875 2.1143 0.0461 H 1 UNL111111111 0.1425 27 H 2.9039 0.8828 2.5738 H 1 UNL111111111 0.1470 28 H 1.6064 -2.6812 -1.2012 H 1 UNL111111111 0.1547 29 H -2.5572 1.3862 1.6462 H 1 UNL111111111 0.1490 30 H 1.5667 2.3808 -1.8624 H 1 UNL111111111 0.1602 31 H 2.2201 3.6862 -0.8579 H 1 UNL111111111 0.1378 32 H 3.1773 3.0325 -2.1944 H 1 UNL111111111 0.1433 33 H 3.4632 -1.5022 2.2193 H 1 UNL111111111 0.1484 34 H 3.7080 -1.6320 -0.4651 H 1 UNL111111111 0.1560 35 H -3.3607 0.4301 -1.2062 H 1 UNL111111111 0.1800 36 H -6.7583 0.0114 1.2851 H 1 UNL111111111 0.1840 @BOND 1 1 4 1 2 2 3 1 3 2 5 1 4 3 4 1 5 3 6 1 6 3 18 1 7 4 7 1 8 4 19 1 9 5 8 1 10 5 9 1 11 5 20 1 12 6 11 1 13 6 21 1 14 6 22 1 15 7 10 1 16 7 23 1 17 7 24 1 18 8 12 1 19 8 25 1 20 8 26 1 21 9 13 2 22 9 27 1 23 10 14 2 24 10 28 1 25 11 15 2 26 11 29 1 27 12 30 1 28 12 31 1 29 12 32 1 30 13 14 1 31 13 33 1 32 14 34 1 33 15 16 1 34 15 35 1 35 16 17 3 36 17 36 1