@MOLECULE (1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(2r,3s,5r)-3-butyl-5-hydroxy-6-methyl-2-heptanyl]-7a-methyloctahydro-4h-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol 86 88 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5420 2.4668 0.3624 O.3 1 UNL1111111111 -0.5470 2 O -8.4428 1.1021 -0.8694 O.3 1 UNL1111111111 -0.5677 3 O 3.9648 2.5978 0.9676 O.3 1 UNL1111111111 -0.5575 4 C -5.4948 1.9025 1.2382 C.3 1 UNL1111111111 0.1545 5 C -6.8962 2.0002 0.6207 C.3 1 UNL1111111111 -0.3630 6 C -7.0622 1.0293 -0.5537 C.3 1 UNL1111111111 0.1796 7 C -6.7004 -0.4187 -0.1649 C.3 1 UNL1111111111 -0.3495 8 C -5.3133 -0.4408 0.3979 C.2 1 UNL1111111111 -0.0370 9 C -4.3327 -1.1927 -0.1320 C.2 1 UNL1111111111 -0.1487 10 C -2.9612 -1.1463 0.3339 C.2 1 UNL1111111111 -0.2581 11 C -1.9737 -1.9691 -0.0500 C.2 1 UNL1111111111 0.0543 12 C -2.1291 -3.1473 -0.9686 C.3 1 UNL1111111111 -0.2929 13 C -5.1397 0.4647 1.5388 C.2 1 UNL1111111111 -0.0438 14 C -1.1335 -3.0996 -2.1437 C.3 1 UNL1111111111 -0.2530 15 C 0.3104 -2.7943 -1.7074 C.3 1 UNL1111111111 -0.3047 16 C 0.3536 -1.5336 -0.8308 C.3 1 UNL1111111111 0.0879 17 C -0.5603 -1.8187 0.4085 C.3 1 UNL1111111111 -0.1592 18 C -0.1858 -0.7095 1.3976 C.3 1 UNL1111111111 -0.2741 19 C 1.3237 -0.4889 1.1620 C.3 1 UNL1111111111 -0.2775 20 C 1.7198 -1.2536 -0.1358 C.3 1 UNL1111111111 -0.1451 21 C -0.1320 -0.3116 -1.6181 C.3 1 UNL1111111111 -0.4579 22 C -4.7293 0.0656 2.7433 C.2 1 UNL1111111111 -0.3051 23 C 2.7491 -0.4666 -0.9710 C.3 1 UNL1111111111 -0.1043 24 C 3.1377 -1.2303 -2.2428 C.3 1 UNL1111111111 -0.4506 25 C 4.0023 -0.1216 -0.1209 C.3 1 UNL1111111111 -0.1116 26 C 4.7538 1.0741 -0.7377 C.3 1 UNL1111111111 -0.3552 27 C 4.0239 2.3905 -0.4265 C.3 1 UNL1111111111 0.1452 28 C 4.6718 3.6017 -1.1372 C.3 1 UNL1111111111 -0.1244 29 C 3.7918 4.8354 -0.9131 C.3 1 UNL1111111111 -0.4475 30 C 6.0907 3.8697 -0.6288 C.3 1 UNL1111111111 -0.4510 31 C 4.9399 -1.3298 0.0467 C.3 1 UNL1111111111 -0.2856 32 C 5.8362 -1.1728 1.2824 C.3 1 UNL1111111111 -0.2708 33 C 6.7854 -2.3706 1.4194 C.3 1 UNL1111111111 -0.2515 34 C 7.6689 -2.2265 2.6587 C.3 1 UNL1111111111 -0.4397 35 H -4.3439 1.8630 -0.3830 H 1 UNL1111111111 0.3187 36 H -8.6641 0.5178 -1.6162 H 1 UNL1111111111 0.3136 37 H 4.8581 2.6706 1.3524 H 1 UNL1111111111 0.3113 38 H -5.4044 2.5645 2.1315 H 1 UNL1111111111 0.1466 39 H -7.6703 1.7956 1.3855 H 1 UNL1111111111 0.1681 40 H -7.0839 3.0366 0.2754 H 1 UNL1111111111 0.1704 41 H -6.4847 1.3633 -1.4434 H 1 UNL1111111111 0.1148 42 H -7.4260 -0.7899 0.5905 H 1 UNL1111111111 0.1715 43 H -6.8097 -1.0902 -1.0351 H 1 UNL1111111111 0.1461 44 H -4.5384 -1.8536 -0.9765 H 1 UNL1111111111 0.1476 45 H -2.7443 -0.3395 1.0440 H 1 UNL1111111111 0.1693 46 H -1.9734 -4.0786 -0.3839 H 1 UNL1111111111 0.1501 47 H -3.1593 -3.2234 -1.3673 H 1 UNL1111111111 0.1434 48 H -1.1594 -4.0636 -2.6846 H 1 UNL1111111111 0.1302 49 H -1.4662 -2.3349 -2.8719 H 1 UNL1111111111 0.1398 50 H 0.7295 -3.6558 -1.1569 H 1 UNL1111111111 0.1369 51 H 0.9469 -2.6713 -2.6014 H 1 UNL1111111111 0.1401 52 H -0.2455 -2.7947 0.8643 H 1 UNL1111111111 0.1471 53 H -0.7509 0.2180 1.2017 H 1 UNL1111111111 0.1457 54 H -0.4055 -0.9927 2.4370 H 1 UNL1111111111 0.1348 55 H 1.5413 0.5895 1.0710 H 1 UNL1111111111 0.1509 56 H 1.9142 -0.8532 2.0162 H 1 UNL1111111111 0.1337 57 H 2.1717 -2.2306 0.1474 H 1 UNL1111111111 0.1317 58 H -1.1964 -0.3913 -1.8691 H 1 UNL1111111111 0.1510 59 H -0.0147 0.6101 -1.0355 H 1 UNL1111111111 0.1546 60 H 0.4191 -0.1925 -2.5553 H 1 UNL1111111111 0.1403 61 H -4.6140 0.7248 3.5890 H 1 UNL1111111111 0.1483 62 H -4.4760 -0.9605 2.9701 H 1 UNL1111111111 0.1560 63 H 2.2780 0.5010 -1.2776 H 1 UNL1111111111 0.1397 64 H 3.3846 -2.2754 -2.0304 H 1 UNL1111111111 0.1421 65 H 2.3215 -1.2235 -2.9737 H 1 UNL1111111111 0.1408 66 H 4.0094 -0.7794 -2.7292 H 1 UNL1111111111 0.1422 67 H 3.6619 0.1950 0.8988 H 1 UNL1111111111 0.1581 68 H 5.7840 1.1118 -0.3381 H 1 UNL1111111111 0.1450 69 H 4.8625 0.9462 -1.8288 H 1 UNL1111111111 0.1470 70 H 2.9397 2.3246 -0.6851 H 1 UNL1111111111 0.1423 71 H 4.7162 3.3804 -2.2308 H 1 UNL1111111111 0.1341 72 H 3.6185 5.0017 0.1593 H 1 UNL1111111111 0.1601 73 H 4.2534 5.7402 -1.3196 H 1 UNL1111111111 0.1384 74 H 2.8101 4.7229 -1.3856 H 1 UNL1111111111 0.1431 75 H 6.7416 2.9981 -0.7537 H 1 UNL1111111111 0.1415 76 H 6.5524 4.6988 -1.1786 H 1 UNL1111111111 0.1459 77 H 6.0941 4.1504 0.4306 H 1 UNL1111111111 0.1443 78 H 4.3413 -2.2556 0.1458 H 1 UNL1111111111 0.1404 79 H 5.5569 -1.4665 -0.8590 H 1 UNL1111111111 0.1363 80 H 6.4181 -0.2356 1.2196 H 1 UNL1111111111 0.1326 81 H 5.2126 -1.0798 2.1916 H 1 UNL1111111111 0.1391 82 H 6.2034 -3.3096 1.4775 H 1 UNL1111111111 0.1331 83 H 7.4153 -2.4606 0.5149 H 1 UNL1111111111 0.1314 84 H 8.3574 -3.0725 2.7572 H 1 UNL1111111111 0.1380 85 H 8.2736 -1.3139 2.6159 H 1 UNL1111111111 0.1415 86 H 7.0688 -2.1822 3.5744 H 1 UNL1111111111 0.1430 @BOND 1 1 4 1 2 1 35 1 3 2 6 1 4 2 36 1 5 3 27 1 6 3 37 1 7 4 5 1 8 4 13 1 9 4 38 1 10 5 6 1 11 5 39 1 12 5 40 1 13 6 7 1 14 6 41 1 15 7 8 1 16 7 42 1 17 7 43 1 18 8 9 2 19 8 13 1 20 9 10 1 21 9 44 1 22 10 11 2 23 10 45 1 24 11 12 1 25 11 17 1 26 12 14 1 27 12 46 1 28 12 47 1 29 13 22 2 30 14 15 1 31 14 48 1 32 14 49 1 33 15 16 1 34 15 50 1 35 15 51 1 36 16 17 1 37 16 20 1 38 16 21 1 39 17 18 1 40 17 52 1 41 18 19 1 42 18 53 1 43 18 54 1 44 19 20 1 45 19 55 1 46 19 56 1 47 20 23 1 48 20 57 1 49 21 58 1 50 21 59 1 51 21 60 1 52 22 61 1 53 22 62 1 54 23 24 1 55 23 25 1 56 23 63 1 57 24 64 1 58 24 65 1 59 24 66 1 60 25 26 1 61 25 31 1 62 25 67 1 63 26 27 1 64 26 68 1 65 26 69 1 66 27 28 1 67 27 70 1 68 28 29 1 69 28 30 1 70 28 71 1 71 29 72 1 72 29 73 1 73 29 74 1 74 30 75 1 75 30 76 1 76 30 77 1 77 31 32 1 78 31 78 1 79 31 79 1 80 32 33 1 81 32 80 1 82 32 81 1 83 33 34 1 84 33 82 1 85 33 83 1 86 34 84 1 87 34 85 1 88 34 86 1