@MOLECULE (4z,6r,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethyl-4,9-cyclotetradecadien-1-one 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.5995 3.4740 0.6654 C.3 1 UNL1111111111 -0.4523 2 C -1.7617 2.4018 0.0457 C.2 1 UNL1111111111 0.0111 3 C -0.4411 2.5592 -0.1001 C.2 1 UNL1111111111 -0.2033 4 C 0.4960 1.5711 -0.7245 C.3 1 UNL1111111111 -0.1086 5 C 1.1285 2.1997 -1.9718 C.3 1 UNL1111111111 -0.4386 6 C 1.5618 1.1894 0.3246 C.3 1 UNL1111111111 0.1255 7 O 2.2204 2.3930 0.6736 O.3 1 UNL1111111111 -0.5576 8 C 2.6248 0.1974 -0.2210 C.3 1 UNL1111111111 0.0433 9 O 3.3823 -0.0941 0.9514 O.3 1 UNL1111111111 -0.4102 10 C 4.6588 -0.6397 0.6820 C.3 1 UNL1111111111 -0.1922 11 C 1.9894 -1.0341 -0.7822 C.2 1 UNL1111111111 -0.2579 12 C 1.7373 -2.1136 -0.0379 C.2 1 UNL1111111111 -0.1016 13 C 1.0662 -3.3362 -0.5757 C.3 1 UNL1111111111 -0.2916 14 C -0.3117 -3.5117 0.0861 C.3 1 UNL1111111111 -0.2550 15 C -1.2586 -2.3785 -0.3291 C.3 1 UNL1111111111 -0.2511 16 C -2.5198 -2.3660 0.5394 C.3 1 UNL1111111111 -0.3911 17 C -3.2816 -1.0804 0.3157 C.2 1 UNL1111111111 0.4798 18 O -4.3626 -1.0792 -0.2165 O.2 1 UNL1111111111 -0.4618 19 C -2.6351 0.1976 0.7921 C.3 1 UNL1111111111 -0.3751 20 C -2.5203 1.1814 -0.3816 C.3 1 UNL1111111111 -0.2660 21 H -1.9992 4.2930 1.0838 H 1 UNL1111111111 0.1519 22 H -3.2796 3.9195 -0.0754 H 1 UNL1111111111 0.1549 23 H -3.2195 3.0791 1.4822 H 1 UNL1111111111 0.1532 24 H 0.0605 3.4680 0.2425 H 1 UNL1111111111 0.1677 25 H -0.0400 0.6352 -1.0215 H 1 UNL1111111111 0.1416 26 H 1.8248 3.0030 -1.6923 H 1 UNL1111111111 0.1640 27 H 1.6839 1.4651 -2.5608 H 1 UNL1111111111 0.1351 28 H 0.3624 2.6397 -2.6210 H 1 UNL1111111111 0.1487 29 H 1.0871 0.7779 1.2441 H 1 UNL1111111111 0.1300 30 H 2.9656 2.1920 1.2793 H 1 UNL1111111111 0.3259 31 H 3.2794 0.7054 -0.9651 H 1 UNL1111111111 0.1403 32 H 4.5769 -1.5701 0.1113 H 1 UNL1111111111 0.1269 33 H 5.2867 0.0859 0.1555 H 1 UNL1111111111 0.1223 34 H 5.0598 -0.8399 1.6836 H 1 UNL1111111111 0.1439 35 H 1.7382 -0.9787 -1.8386 H 1 UNL1111111111 0.1530 36 H 1.9953 -2.1515 1.0223 H 1 UNL1111111111 0.1569 37 H 0.9539 -3.2946 -1.6770 H 1 UNL1111111111 0.1472 38 H 1.6941 -4.2292 -0.3793 H 1 UNL1111111111 0.1443 39 H -0.7423 -4.4905 -0.1940 H 1 UNL1111111111 0.1360 40 H -0.1965 -3.5349 1.1864 H 1 UNL1111111111 0.1403 41 H -0.7271 -1.4070 -0.2497 H 1 UNL1111111111 0.1509 42 H -1.5326 -2.4833 -1.3965 H 1 UNL1111111111 0.1434 43 H -3.1619 -3.2373 0.2973 H 1 UNL1111111111 0.1686 44 H -2.2644 -2.4696 1.6117 H 1 UNL1111111111 0.1626 45 H -3.2545 0.6417 1.5990 H 1 UNL1111111111 0.1713 46 H -1.6405 0.0192 1.2432 H 1 UNL1111111111 0.1643 47 H -3.5363 1.4512 -0.7426 H 1 UNL1111111111 0.1629 48 H -2.0356 0.6907 -1.2497 H 1 UNL1111111111 0.1463 @BOND 1 1 2 1 2 1 21 1 3 1 22 1 4 1 23 1 5 2 3 2 6 2 20 1 7 3 4 1 8 3 24 1 9 4 5 1 10 4 6 1 11 4 25 1 12 5 26 1 13 5 27 1 14 5 28 1 15 6 7 1 16 6 8 1 17 6 29 1 18 7 30 1 19 8 9 1 20 8 11 1 21 8 31 1 22 9 10 1 23 10 32 1 24 10 33 1 25 10 34 1 26 11 12 2 27 11 35 1 28 12 13 1 29 12 36 1 30 13 14 1 31 13 37 1 32 13 38 1 33 14 15 1 34 14 39 1 35 14 40 1 36 15 16 1 37 15 41 1 38 15 42 1 39 16 17 1 40 16 43 1 41 16 44 1 42 17 18 2 43 17 19 1 44 19 20 1 45 19 45 1 46 19 46 1 47 20 47 1 48 20 48 1