@MOLECULE (1r,3s,5z)-5-{(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)octahydro-4h-inden-4-ylidene]ethylidene}-4-methylene-1,3-cyclohexanediol 74 76 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.9635 2.5793 -1.5795 C.3 1 UNL1111111111 0.1535 2 O 2.5754 2.5536 -1.8349 O.3 1 UNL1111111111 -0.5462 3 C 4.3169 3.8081 -0.7308 C.3 1 UNL1111111111 -0.3632 4 O 4.3973 4.7592 1.3938 O.3 1 UNL1111111111 -0.5669 5 C 3.8334 3.6493 0.7143 C.3 1 UNL1111111111 0.1789 6 O -6.7713 2.2260 -1.4044 O.3 1 UNL1111111111 -0.5755 7 C 4.3467 2.3434 1.3508 C.3 1 UNL1111111111 -0.3515 8 C 3.9422 1.1822 0.4951 C.2 1 UNL1111111111 -0.0351 9 C 3.2189 0.1607 0.9853 C.2 1 UNL1111111111 -0.1479 10 C 2.7612 -0.9653 0.1951 C.2 1 UNL1111111111 -0.2513 11 C 2.2092 -2.0799 0.6987 C.2 1 UNL1111111111 0.0499 12 C 2.0214 -2.3691 2.1627 C.3 1 UNL1111111111 -0.2922 13 C 4.3918 1.3013 -0.8948 C.2 1 UNL1111111111 -0.0435 14 C 0.5609 -2.7304 2.4995 C.3 1 UNL1111111111 -0.2528 15 C -0.0310 -3.7895 1.5534 C.3 1 UNL1111111111 -0.3011 16 C 0.1597 -3.3567 0.0944 C.3 1 UNL1111111111 0.0780 17 C 1.7014 -3.2079 -0.1365 C.3 1 UNL1111111111 -0.1576 18 C 1.8408 -3.1878 -1.6639 C.3 1 UNL1111111111 -0.2741 19 C 0.7500 -4.1732 -2.1502 C.3 1 UNL1111111111 -0.2591 20 C -0.2057 -4.4263 -0.9584 C.3 1 UNL1111111111 -0.3007 21 C -0.5783 -2.0391 -0.2176 C.3 1 UNL1111111111 -0.2959 22 C 5.1366 0.3808 -1.5092 C.2 1 UNL1111111111 -0.3053 23 C -2.0807 -2.0860 0.0819 C.3 1 UNL1111111111 -0.2733 24 C -2.7162 -0.7228 -0.2223 C.3 1 UNL1111111111 -0.2659 25 C -4.2134 -0.7322 0.1108 C.3 1 UNL1111111111 -0.2731 26 C -4.8134 0.6642 -0.0942 C.3 1 UNL1111111111 -0.2634 27 C -6.2995 0.6780 0.2781 C.3 1 UNL1111111111 -0.3078 28 C -6.9546 2.0415 -0.0093 C.3 1 UNL1111111111 0.3532 29 C -6.2914 3.2005 0.7426 C.3 1 UNL1111111111 -0.5125 30 C -8.4613 1.9912 0.2843 C.3 1 UNL1111111111 -0.5158 31 H 4.3811 2.6738 -2.6101 H 1 UNL1111111111 0.1466 32 H 2.0735 2.2703 -1.0434 H 1 UNL1111111111 0.3187 33 H 5.4097 3.9857 -0.7407 H 1 UNL1111111111 0.1683 34 H 3.8636 4.7157 -1.1776 H 1 UNL1111111111 0.1709 35 H 4.1501 4.7558 2.3359 H 1 UNL1111111111 0.3135 36 H 2.7263 3.7249 0.7863 H 1 UNL1111111111 0.1147 37 H -7.1398 3.0762 -1.7001 H 1 UNL1111111111 0.3126 38 H 5.4544 2.3855 1.4356 H 1 UNL1111111111 0.1719 39 H 3.9769 2.2475 2.3872 H 1 UNL1111111111 0.1461 40 H 2.9229 0.1597 2.0379 H 1 UNL1111111111 0.1479 41 H 2.8799 -0.8560 -0.8877 H 1 UNL1111111111 0.1678 42 H 2.6893 -3.2078 2.4511 H 1 UNL1111111111 0.1497 43 H 2.3377 -1.5161 2.7940 H 1 UNL1111111111 0.1443 44 H 0.5040 -3.0911 3.5429 H 1 UNL1111111111 0.1310 45 H -0.0608 -1.8145 2.4602 H 1 UNL1111111111 0.1440 46 H 0.4558 -4.7663 1.7281 H 1 UNL1111111111 0.1371 47 H -1.1007 -3.9464 1.7798 H 1 UNL1111111111 0.1407 48 H 2.2015 -4.1465 0.2250 H 1 UNL1111111111 0.1492 49 H 1.6721 -2.1791 -2.0761 H 1 UNL1111111111 0.1444 50 H 2.8461 -3.4920 -1.9887 H 1 UNL1111111111 0.1349 51 H 0.2036 -3.7553 -3.0099 H 1 UNL1111111111 0.1357 52 H 1.1987 -5.1173 -2.4943 H 1 UNL1111111111 0.1304 53 H -0.0658 -5.4409 -0.5546 H 1 UNL1111111111 0.1333 54 H -1.2599 -4.3607 -1.2638 H 1 UNL1111111111 0.1411 55 H -0.1131 -1.2095 0.3507 H 1 UNL1111111111 0.1486 56 H -0.4244 -1.7810 -1.2841 H 1 UNL1111111111 0.1479 57 H 5.4841 0.4690 -2.5261 H 1 UNL1111111111 0.1479 58 H 5.4546 -0.5356 -1.0322 H 1 UNL1111111111 0.1560 59 H -2.5690 -2.8770 -0.5157 H 1 UNL1111111111 0.1348 60 H -2.2556 -2.3528 1.1400 H 1 UNL1111111111 0.1334 61 H -2.2040 0.0680 0.3573 H 1 UNL1111111111 0.1357 62 H -2.5674 -0.4633 -1.2876 H 1 UNL1111111111 0.1411 63 H -4.7384 -1.4674 -0.5265 H 1 UNL1111111111 0.1362 64 H -4.3706 -1.0633 1.1535 H 1 UNL1111111111 0.1313 65 H -4.2587 1.4057 0.5087 H 1 UNL1111111111 0.1331 66 H -4.6948 0.9806 -1.1508 H 1 UNL1111111111 0.1586 67 H -6.8304 -0.0999 -0.3070 H 1 UNL1111111111 0.1530 68 H -6.4351 0.4185 1.3425 H 1 UNL1111111111 0.1383 69 H -6.8489 4.1343 0.6255 H 1 UNL1111111111 0.1465 70 H -6.2154 2.9884 1.8133 H 1 UNL1111111111 0.1548 71 H -5.2763 3.3767 0.3639 H 1 UNL1111111111 0.1638 72 H -8.9496 1.2308 -0.3376 H 1 UNL1111111111 0.1613 73 H -8.6569 1.7472 1.3324 H 1 UNL1111111111 0.1532 74 H -8.9478 2.9468 0.0684 H 1 UNL1111111111 0.1479 @BOND 1 1 2 1 2 1 3 1 3 1 13 1 4 1 31 1 5 2 32 1 6 3 5 1 7 3 33 1 8 3 34 1 9 4 5 1 10 4 35 1 11 5 7 1 12 5 36 1 13 6 28 1 14 6 37 1 15 7 8 1 16 7 38 1 17 7 39 1 18 8 9 2 19 8 13 1 20 9 10 1 21 9 40 1 22 10 11 2 23 10 41 1 24 11 12 1 25 11 17 1 26 12 14 1 27 12 42 1 28 12 43 1 29 13 22 2 30 14 15 1 31 14 44 1 32 14 45 1 33 15 16 1 34 15 46 1 35 15 47 1 36 16 17 1 37 16 20 1 38 16 21 1 39 17 18 1 40 17 48 1 41 18 19 1 42 18 49 1 43 18 50 1 44 19 20 1 45 19 51 1 46 19 52 1 47 20 53 1 48 20 54 1 49 21 23 1 50 21 55 1 51 21 56 1 52 22 57 1 53 22 58 1 54 23 24 1 55 23 59 1 56 23 60 1 57 24 25 1 58 24 61 1 59 24 62 1 60 25 26 1 61 25 63 1 62 25 64 1 63 26 27 1 64 26 65 1 65 26 66 1 66 27 28 1 67 27 67 1 68 27 68 1 69 28 29 1 70 28 30 1 71 29 69 1 72 29 70 1 73 29 71 1 74 30 72 1 75 30 73 1 76 30 74 1