@MOLECULE (6r)-2-methyl-6-[(1s)-4-methylene-2-cyclohexen-1-yl]-2-hepten-4-one 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3979 1.2195 -0.6802 O.2 1 UNL1111111111 -0.4975 2 C 1.8490 1.0198 -0.2543 C.3 1 UNL1111111111 -0.1350 3 C 0.3334 1.3399 -0.2300 C.3 1 UNL1111111111 -0.0650 4 C 2.3738 0.5200 1.1032 C.3 1 UNL1111111111 -0.2637 5 C 3.8470 0.1072 0.9787 C.3 1 UNL1111111111 -0.2933 6 C -0.4834 0.1165 0.2083 C.3 1 UNL1111111111 -0.3967 7 C 2.1622 0.0266 -1.3339 C.2 1 UNL1111111111 -0.1320 8 C 0.0483 2.5389 0.6791 C.3 1 UNL1111111111 -0.4551 9 C 4.0027 -0.9781 -0.0465 C.2 1 UNL1111111111 0.0601 10 C 3.1516 -0.8715 -1.2308 C.2 1 UNL1111111111 -0.2033 11 C -1.9559 0.2501 -0.1037 C.2 1 UNL1111111111 0.5039 12 C 4.8785 -1.9773 0.1082 C.2 1 UNL1111111111 -0.3794 13 C -2.7960 -0.8728 0.3278 C.2 1 UNL1111111111 -0.4379 14 C -4.1314 -0.9052 0.1561 C.2 1 UNL1111111111 0.2206 15 C -4.9363 -2.0773 0.6093 C.3 1 UNL1111111111 -0.4836 16 C -4.8992 0.1923 -0.4852 C.3 1 UNL1111111111 -0.4817 17 H 2.3943 1.9718 -0.5054 H 1 UNL1111111111 0.1516 18 H 0.0200 1.6186 -1.2703 H 1 UNL1111111111 0.1515 19 H 1.7816 -0.3463 1.4521 H 1 UNL1111111111 0.1436 20 H 2.2580 1.3017 1.8738 H 1 UNL1111111111 0.1370 21 H 4.2380 -0.2109 1.9643 H 1 UNL1111111111 0.1444 22 H 4.4635 0.9812 0.6804 H 1 UNL1111111111 0.1526 23 H -0.3576 -0.0575 1.2958 H 1 UNL1111111111 0.1660 24 H -0.0907 -0.7958 -0.2890 H 1 UNL1111111111 0.1714 25 H 1.5423 0.0936 -2.2252 H 1 UNL1111111111 0.1459 26 H 0.2627 2.3200 1.7286 H 1 UNL1111111111 0.1395 27 H -1.0111 2.8261 0.6103 H 1 UNL1111111111 0.1635 28 H 0.6390 3.4142 0.3899 H 1 UNL1111111111 0.1416 29 H 3.3647 -1.5726 -2.0368 H 1 UNL1111111111 0.1502 30 H 5.5150 -2.0860 0.9695 H 1 UNL1111111111 0.1470 31 H 5.0228 -2.7630 -0.6151 H 1 UNL1111111111 0.1484 32 H -2.2730 -1.6986 0.8033 H 1 UNL1111111111 0.1676 33 H -5.4378 -2.5635 -0.2414 H 1 UNL1111111111 0.1674 34 H -4.3350 -2.8474 1.1109 H 1 UNL1111111111 0.1600 35 H -5.7231 -1.7718 1.3155 H 1 UNL1111111111 0.1663 36 H -5.9771 0.0105 -0.5377 H 1 UNL1111111111 0.1499 37 H -4.7406 1.1515 0.0418 H 1 UNL1111111111 0.1862 38 H -4.5357 0.3848 -1.5119 H 1 UNL1111111111 0.1879 @BOND 1 1 11 2 2 2 3 1 3 2 4 1 4 2 7 1 5 2 17 1 6 3 6 1 7 3 8 1 8 3 18 1 9 4 5 1 10 4 19 1 11 4 20 1 12 5 9 1 13 5 21 1 14 5 22 1 15 6 11 1 16 6 23 1 17 6 24 1 18 7 10 2 19 7 25 1 20 8 26 1 21 8 27 1 22 8 28 1 23 9 10 1 24 9 12 2 25 10 29 1 26 11 13 1 27 12 30 1 28 12 31 1 29 13 14 2 30 13 32 1 31 14 15 1 32 14 16 1 33 15 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1