@MOLECULE (6z)-1,13a-dihydroxy-11-isopropyl-4,7,8a-trimethyl-13-methylene-2-oxo-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydroindeno[5',6':4,5]cycloocta[1,2-c]pyran-10-yl 3-hydroxy-3,5-dimethylheptanoate 95 98 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1382 -1.1765 -0.5582 O.3 1 UNL1111111111 -0.4463 2 O 3.4985 1.2981 -1.9105 O.3 1 UNL1111111111 -0.5588 3 O 7.2557 0.9230 -0.2349 O.3 1 UNL1111111111 -0.4306 4 O 4.4656 3.2131 0.0116 O.3 1 UNL1111111111 -0.5287 5 O -4.8537 -1.8055 0.7554 O.2 1 UNL1111111111 -0.5525 6 O 7.1232 2.9119 0.6701 O.2 1 UNL1111111111 -0.4595 7 O -7.3034 -1.4294 -0.3676 O.3 1 UNL1111111111 -0.5874 8 C 0.0622 -1.7172 0.8982 C.3 1 UNL1111111111 0.0818 9 C 0.0134 -0.3382 0.1752 C.3 1 UNL1111111111 -0.1433 10 C -1.4310 0.1849 0.3711 C.3 1 UNL1111111111 -0.1670 11 C -1.2846 -2.3268 0.4561 C.3 1 UNL1111111111 -0.3492 12 C 1.3069 -2.4688 0.4083 C.3 1 UNL1111111111 -0.3010 13 C 1.2206 0.5061 0.5621 C.3 1 UNL1111111111 -0.2783 14 C -2.2461 -1.1279 0.5650 C.3 1 UNL1111111111 0.1303 15 C 2.4821 -0.2550 0.0839 C.3 1 UNL1111111111 -0.1281 16 C 2.5746 -1.6462 0.7503 C.3 1 UNL1111111111 -0.1193 17 C -1.6168 1.2122 1.5044 C.3 1 UNL1111111111 -0.0693 18 C 0.0728 -1.6300 2.4306 C.3 1 UNL1111111111 -0.4618 19 C 3.7131 0.5602 0.3611 C.2 1 UNL1111111111 -0.0266 20 C 3.7957 -2.4502 0.4044 C.2 1 UNL1111111111 0.0326 21 C 4.4335 1.0173 -0.8829 C.3 1 UNL1111111111 0.2605 22 C 5.3574 -0.0615 -1.4968 C.3 1 UNL1111111111 -0.1968 23 C -3.0698 1.2803 1.9959 C.3 1 UNL1111111111 -0.4588 24 C -1.2229 2.6140 1.0108 C.3 1 UNL1111111111 -0.4533 25 C 4.5993 -1.3766 -1.7772 C.3 1 UNL1111111111 -0.2572 26 C 4.6266 -2.3418 -0.6400 C.2 1 UNL1111111111 -0.2347 27 C 5.2672 2.3115 -0.7110 C.3 1 UNL1111111111 -0.0284 28 C 4.1034 -3.4980 1.4404 C.3 1 UNL1111111111 -0.4658 29 C 6.5667 -0.2893 -0.5829 C.3 1 UNL1111111111 0.1554 30 C 4.1318 0.8338 1.5970 C.2 1 UNL1111111111 -0.3214 31 C -4.4289 -1.4879 -0.3329 C.2 1 UNL1111111111 0.6340 32 C 6.5916 2.0735 -0.0138 C.2 1 UNL1111111111 0.5538 33 C 7.6684 -1.0996 -1.2566 C.3 1 UNL1111111111 -0.4673 34 C -5.2332 -1.3556 -1.5852 C.3 1 UNL1111111111 -0.4405 35 C -6.5727 -0.6216 -1.2593 C.3 1 UNL1111111111 0.3705 36 C -6.2545 0.7442 -0.6175 C.3 1 UNL1111111111 -0.3698 37 C -7.4401 -0.5389 -2.5130 C.3 1 UNL1111111111 -0.4777 38 C -7.4456 1.7163 -0.5151 C.3 1 UNL1111111111 -0.0581 39 C -8.4891 1.2068 0.4941 C.3 1 UNL1111111111 -0.2757 40 C -6.9097 3.0929 -0.0907 C.3 1 UNL1111111111 -0.4581 41 C -9.8004 1.9877 0.4097 C.3 1 UNL1111111111 -0.4386 42 H 0.1047 -0.5424 -0.9283 H 1 UNL1111111111 0.1422 43 H -1.7723 0.6638 -0.5799 H 1 UNL1111111111 0.1574 44 H -1.2435 -2.7056 -0.5791 H 1 UNL1111111111 0.1592 45 H -1.5996 -3.1731 1.0818 H 1 UNL1111111111 0.1524 46 H 1.3588 -3.4702 0.8697 H 1 UNL1111111111 0.1426 47 H 1.2571 -2.6460 -0.6810 H 1 UNL1111111111 0.1448 48 H 1.1845 1.4995 0.0781 H 1 UNL1111111111 0.1418 49 H 1.2597 0.6999 1.6473 H 1 UNL1111111111 0.1495 50 H -2.8220 -1.1533 1.5116 H 1 UNL1111111111 0.1532 51 H 2.3650 -0.4166 -1.0228 H 1 UNL1111111111 0.1669 52 H 2.5944 -1.4760 1.8615 H 1 UNL1111111111 0.1528 53 H -0.9588 0.9309 2.3608 H 1 UNL1111111111 0.1356 54 H -0.8377 -1.1594 2.8184 H 1 UNL1111111111 0.1509 55 H 0.1395 -2.6281 2.8773 H 1 UNL1111111111 0.1457 56 H 0.9168 -1.0424 2.8064 H 1 UNL1111111111 0.1477 57 H 5.7073 0.3362 -2.4858 H 1 UNL1111111111 0.1677 58 H -3.2207 2.1375 2.6620 H 1 UNL1111111111 0.1477 59 H -3.3603 0.3879 2.5617 H 1 UNL1111111111 0.1470 60 H -3.7700 1.3883 1.1601 H 1 UNL1111111111 0.1471 61 H -1.2600 3.3421 1.8285 H 1 UNL1111111111 0.1438 62 H -0.2072 2.6381 0.6041 H 1 UNL1111111111 0.1443 63 H -1.9002 2.9658 0.2249 H 1 UNL1111111111 0.1450 64 H 5.0430 -1.8579 -2.6755 H 1 UNL1111111111 0.1425 65 H 3.5569 -1.1391 -2.0872 H 1 UNL1111111111 0.1703 66 H 5.4647 -3.0431 -0.7132 H 1 UNL1111111111 0.1430 67 H 5.4560 2.7759 -1.7146 H 1 UNL1111111111 0.1727 68 H 4.6764 -3.0570 2.2692 H 1 UNL1111111111 0.1597 69 H 4.6989 -4.3281 1.0404 H 1 UNL1111111111 0.1523 70 H 3.1976 -3.9417 1.8724 H 1 UNL1111111111 0.1541 71 H 6.2598 -0.7252 0.3985 H 1 UNL1111111111 0.1499 72 H 5.0026 1.4242 1.8353 H 1 UNL1111111111 0.1557 73 H 3.6174 0.4943 2.4834 H 1 UNL1111111111 0.1509 74 H 2.8820 2.0062 -1.6137 H 1 UNL1111111111 0.3374 75 H 7.9808 -0.6505 -2.2074 H 1 UNL1111111111 0.1604 76 H 8.5633 -1.1435 -0.6181 H 1 UNL1111111111 0.1681 77 H 7.3454 -2.1274 -1.4530 H 1 UNL1111111111 0.1585 78 H -4.6808 -0.8275 -2.3849 H 1 UNL1111111111 0.1840 79 H -5.4612 -2.3670 -1.9837 H 1 UNL1111111111 0.1925 80 H 5.0274 3.8234 0.5495 H 1 UNL1111111111 0.3421 81 H -5.8493 0.5764 0.4016 H 1 UNL1111111111 0.1577 82 H -5.4438 1.2315 -1.1925 H 1 UNL1111111111 0.1472 83 H -8.4633 -0.2328 -2.2466 H 1 UNL1111111111 0.1714 84 H -7.5341 -1.5173 -2.9990 H 1 UNL1111111111 0.1581 85 H -7.0441 0.1781 -3.2364 H 1 UNL1111111111 0.1499 86 H -7.9277 1.8160 -1.5155 H 1 UNL1111111111 0.1304 87 H -6.7556 -1.6766 0.4134 H 1 UNL1111111111 0.3508 88 H -8.6912 0.1301 0.3073 H 1 UNL1111111111 0.1671 89 H -8.0806 1.2554 1.5195 H 1 UNL1111111111 0.1360 90 H -6.4220 3.0477 0.8887 H 1 UNL1111111111 0.1447 91 H -6.1826 3.4809 -0.8105 H 1 UNL1111111111 0.1372 92 H -7.7204 3.8256 -0.0179 H 1 UNL1111111111 0.1443 93 H -9.6624 3.0411 0.6745 H 1 UNL1111111111 0.1382 94 H -10.5479 1.5715 1.0946 H 1 UNL1111111111 0.1406 95 H -10.2243 1.9513 -0.5994 H 1 UNL1111111111 0.1377 @BOND 1 1 14 1 2 1 31 1 3 2 21 1 4 2 74 1 5 3 29 1 6 3 32 1 7 4 27 1 8 4 80 1 9 5 31 2 10 6 32 2 11 7 35 1 12 7 87 1 13 8 9 1 14 8 11 1 15 8 12 1 16 8 18 1 17 9 10 1 18 9 13 1 19 9 42 1 20 10 14 1 21 10 17 1 22 10 43 1 23 11 14 1 24 11 44 1 25 11 45 1 26 12 16 1 27 12 46 1 28 12 47 1 29 13 15 1 30 13 48 1 31 13 49 1 32 14 50 1 33 15 16 1 34 15 19 1 35 15 51 1 36 16 20 1 37 16 52 1 38 17 23 1 39 17 24 1 40 17 53 1 41 18 54 1 42 18 55 1 43 18 56 1 44 19 21 1 45 19 30 2 46 20 26 2 47 20 28 1 48 21 22 1 49 21 27 1 50 22 25 1 51 22 29 1 52 22 57 1 53 23 58 1 54 23 59 1 55 23 60 1 56 24 61 1 57 24 62 1 58 24 63 1 59 25 26 1 60 25 64 1 61 25 65 1 62 26 66 1 63 27 32 1 64 27 67 1 65 28 68 1 66 28 69 1 67 28 70 1 68 29 33 1 69 29 71 1 70 30 72 1 71 30 73 1 72 31 34 1 73 33 75 1 74 33 76 1 75 33 77 1 76 34 35 1 77 34 78 1 78 34 79 1 79 35 36 1 80 35 37 1 81 36 38 1 82 36 81 1 83 36 82 1 84 37 83 1 85 37 84 1 86 37 85 1 87 38 39 1 88 38 40 1 89 38 86 1 90 39 41 1 91 39 88 1 92 39 89 1 93 40 90 1 94 40 91 1 95 40 92 1 96 41 93 1 97 41 94 1 98 41 95 1