@MOLECULE (1r,3s,5z)-5-{(2e)-2-[(1r,3as,7ar)-1-(2,10-dihydroxy-2,10-dimethyl-6-undecanyl)-7a-methyloctahydro-4h-inden-4-ylidene]ethylidene}-4-methylene-1,3-cyclohexanediol 90 92 0 0 0 SMALL GASTEIGER @ATOM 1 O 9.1049 1.6653 0.2908 O.3 1 UNL1111111111 -0.5679 2 O -6.4597 -0.9797 0.7154 O.3 1 UNL1111111111 -0.6063 3 C 6.4717 0.3003 -1.9430 C.3 1 UNL1111111111 0.1549 4 C 7.7794 0.9660 -1.4905 C.3 1 UNL1111111111 -0.3628 5 C 7.7729 1.2657 0.0131 C.3 1 UNL1111111111 0.1800 6 C 7.4258 0.0186 0.8519 C.3 1 UNL1111111111 -0.3494 7 C 6.1178 -0.5340 0.3758 C.2 1 UNL1111111111 -0.0388 8 C 5.0474 -0.6384 1.1814 C.2 1 UNL1111111111 -0.1477 9 C 3.7465 -1.0903 0.7288 C.2 1 UNL1111111111 -0.2579 10 C 2.5953 -0.9322 1.3994 C.2 1 UNL1111111111 0.0560 11 C 2.4598 -0.3019 2.7567 C.3 1 UNL1111111111 -0.2936 12 C 6.1340 -0.8730 -1.0514 C.2 1 UNL1111111111 -0.0368 13 C 1.4269 0.8408 2.7535 C.3 1 UNL1111111111 -0.2501 14 C 0.0943 0.4488 2.0924 C.3 1 UNL1111111111 -0.3029 15 C 0.3375 -0.1272 0.6886 C.3 1 UNL1111111111 0.0864 16 C 1.2696 -1.3729 0.8728 C.3 1 UNL1111111111 -0.1582 17 C 1.1774 -2.0983 -0.4744 C.3 1 UNL1111111111 -0.2796 18 C -0.2770 -1.8548 -0.9344 C.3 1 UNL1111111111 -0.2742 19 C -0.9006 -0.7906 0.0167 C.3 1 UNL1111111111 -0.1450 20 C 0.9702 0.9245 -0.2268 C.3 1 UNL1111111111 -0.4585 21 C 5.9142 -2.0977 -1.5302 C.2 1 UNL1111111111 -0.3138 22 C -1.8699 0.1404 -0.7390 C.3 1 UNL1111111111 -0.1057 23 C -2.9834 -0.6941 -1.4130 C.3 1 UNL1111111111 -0.2861 24 C -3.9307 -1.3716 -0.4150 C.3 1 UNL1111111111 -0.2583 25 C -5.2331 -1.7918 -1.1065 C.3 1 UNL1111111111 -0.3178 26 C -6.3358 -2.1455 -0.0945 C.3 1 UNL1111111111 0.3594 27 C -5.9669 -3.3237 0.8105 C.3 1 UNL1111111111 -0.5062 28 C -7.6721 -2.3875 -0.8065 C.3 1 UNL1111111111 -0.5189 29 O 5.4218 1.2434 -1.9319 O.3 1 UNL1111111111 -0.5461 30 C -2.4499 1.2042 0.2162 C.3 1 UNL1111111111 -0.2864 31 C -3.5467 2.0728 -0.4188 C.3 1 UNL1111111111 -0.2625 32 C -4.6776 2.3661 0.5755 C.3 1 UNL1111111111 -0.3448 33 C -6.0192 2.6219 -0.1447 C.3 1 UNL1111111111 0.3619 34 O -6.3336 1.5194 -0.9739 O.3 1 UNL1111111111 -0.6071 35 C -7.1482 2.7875 0.8861 C.3 1 UNL1111111111 -0.5128 36 C -5.9606 3.8126 -1.1048 C.3 1 UNL1111111111 -0.4745 37 H 9.2177 1.8804 1.2340 H 1 UNL1111111111 0.3137 38 H -7.2115 -1.0502 1.3268 H 1 UNL1111111111 0.3216 39 H 6.5178 0.0216 -3.0222 H 1 UNL1111111111 0.1463 40 H 8.6467 0.3227 -1.7363 H 1 UNL1111111111 0.1679 41 H 7.9366 1.9063 -2.0557 H 1 UNL1111111111 0.1704 42 H 7.0975 2.1145 0.2572 H 1 UNL1111111111 0.1156 43 H 8.2295 -0.7398 0.7348 H 1 UNL1111111111 0.1713 44 H 7.4096 0.2662 1.9279 H 1 UNL1111111111 0.1460 45 H 5.1241 -0.3581 2.2345 H 1 UNL1111111111 0.1481 46 H 3.7378 -1.5711 -0.2546 H 1 UNL1111111111 0.1673 47 H 2.1545 -1.0810 3.4864 H 1 UNL1111111111 0.1485 48 H 3.4272 0.0866 3.1290 H 1 UNL1111111111 0.1425 49 H 1.2418 1.1699 3.7925 H 1 UNL1111111111 0.1295 50 H 1.8541 1.7177 2.2292 H 1 UNL1111111111 0.1419 51 H -0.4382 -0.2883 2.7200 H 1 UNL1111111111 0.1368 52 H -0.5642 1.3350 2.0454 H 1 UNL1111111111 0.1428 53 H 0.8085 -2.0453 1.6450 H 1 UNL1111111111 0.1475 54 H 1.8924 -1.6855 -1.2063 H 1 UNL1111111111 0.1447 55 H 1.4096 -3.1685 -0.3812 H 1 UNL1111111111 0.1333 56 H -0.2909 -1.5061 -1.9793 H 1 UNL1111111111 0.1385 57 H -0.8642 -2.7843 -0.9048 H 1 UNL1111111111 0.1317 58 H -1.4801 -1.3156 0.8105 H 1 UNL1111111111 0.1340 59 H 1.9821 1.1891 0.1022 H 1 UNL1111111111 0.1508 60 H 1.0622 0.5572 -1.2558 H 1 UNL1111111111 0.1524 61 H 0.3785 1.8447 -0.2532 H 1 UNL1111111111 0.1448 62 H 5.9439 -2.3480 -2.5789 H 1 UNL1111111111 0.1489 63 H 5.6877 -2.9468 -0.9016 H 1 UNL1111111111 0.1545 64 H -1.3109 0.6695 -1.5484 H 1 UNL1111111111 0.1364 65 H -3.5659 -0.0284 -2.0840 H 1 UNL1111111111 0.1442 66 H -2.5390 -1.4534 -2.0806 H 1 UNL1111111111 0.1328 67 H -3.4384 -2.2431 0.0503 H 1 UNL1111111111 0.1305 68 H -4.1705 -0.6744 0.4148 H 1 UNL1111111111 0.1623 69 H -5.5934 -0.9604 -1.7501 H 1 UNL1111111111 0.1607 70 H -5.0555 -2.6469 -1.7817 H 1 UNL1111111111 0.1433 71 H -6.7914 -3.6033 1.4729 H 1 UNL1111111111 0.1457 72 H -5.6956 -4.2071 0.2238 H 1 UNL1111111111 0.1547 73 H -5.1092 -3.0692 1.4467 H 1 UNL1111111111 0.1642 74 H -7.9880 -1.4907 -1.3563 H 1 UNL1111111111 0.1672 75 H -7.5980 -3.2086 -1.5260 H 1 UNL1111111111 0.1573 76 H -8.4714 -2.6365 -0.1027 H 1 UNL1111111111 0.1482 77 H 5.0969 1.4025 -1.0217 H 1 UNL1111111111 0.3192 78 H -2.8350 0.7017 1.1239 H 1 UNL1111111111 0.1387 79 H -1.6327 1.8624 0.5687 H 1 UNL1111111111 0.1350 80 H -3.1147 3.0153 -0.7980 H 1 UNL1111111111 0.1293 81 H -3.9777 1.5714 -1.3116 H 1 UNL1111111111 0.1636 82 H -4.8085 1.5077 1.2640 H 1 UNL1111111111 0.1482 83 H -4.4198 3.2294 1.2109 H 1 UNL1111111111 0.1402 84 H -6.3123 0.6764 -0.4661 H 1 UNL1111111111 0.3462 85 H -7.0263 3.7011 1.4723 H 1 UNL1111111111 0.1486 86 H -8.1193 2.8350 0.3791 H 1 UNL1111111111 0.1591 87 H -7.1850 1.9396 1.5765 H 1 UNL1111111111 0.1466 88 H -5.2496 3.6198 -1.9179 H 1 UNL1111111111 0.1590 89 H -6.9368 3.9799 -1.5751 H 1 UNL1111111111 0.1555 90 H -5.6598 4.7276 -0.5903 H 1 UNL1111111111 0.1439 @BOND 1 1 5 1 2 1 37 1 3 2 26 1 4 2 38 1 5 3 4 1 6 3 12 1 7 3 29 1 8 3 39 1 9 4 5 1 10 4 40 1 11 4 41 1 12 5 6 1 13 5 42 1 14 6 7 1 15 6 43 1 16 6 44 1 17 7 8 2 18 7 12 1 19 8 9 1 20 8 45 1 21 9 10 2 22 9 46 1 23 10 11 1 24 10 16 1 25 11 13 1 26 11 47 1 27 11 48 1 28 12 21 2 29 13 14 1 30 13 49 1 31 13 50 1 32 14 15 1 33 14 51 1 34 14 52 1 35 15 16 1 36 15 19 1 37 15 20 1 38 16 17 1 39 16 53 1 40 17 18 1 41 17 54 1 42 17 55 1 43 18 19 1 44 18 56 1 45 18 57 1 46 19 22 1 47 19 58 1 48 20 59 1 49 20 60 1 50 20 61 1 51 21 62 1 52 21 63 1 53 22 23 1 54 22 30 1 55 22 64 1 56 23 24 1 57 23 65 1 58 23 66 1 59 24 25 1 60 24 67 1 61 24 68 1 62 25 26 1 63 25 69 1 64 25 70 1 65 26 27 1 66 26 28 1 67 27 71 1 68 27 72 1 69 27 73 1 70 28 74 1 71 28 75 1 72 28 76 1 73 29 77 1 74 30 31 1 75 30 78 1 76 30 79 1 77 31 32 1 78 31 80 1 79 31 81 1 80 32 33 1 81 32 82 1 82 32 83 1 83 33 34 1 84 33 35 1 85 33 36 1 86 34 84 1 87 35 85 1 88 35 86 1 89 35 87 1 90 36 88 1 91 36 89 1 92 36 90 1