@MOLECULE (1r,3s,5e)-5-{(2e)-2-[(3as,7ar)-1-{1-[(2-hydroxy-2-methylpropyl)sulfanyl]-2-propanyl}-7a-methyloctahydro-4h-inden-4-ylidene]ethylidene}-4-methylene-1,3-cyclohexanediol 72 74 0 0 0 SMALL GASTEIGER @ATOM 1 S 5.1671 -0.7343 -0.0089 S.3 1 UNL1111111111 -0.0203 2 O 6.3742 1.6930 -1.5341 O.3 1 UNL1111111111 -0.5676 3 O -6.8971 -2.3572 0.1393 O.3 1 UNL1111111111 -0.5705 4 O -6.7975 1.6657 -1.4692 O.3 1 UNL1111111111 -0.5497 5 C 1.0716 -0.5763 0.1588 C.3 1 UNL1111111111 0.0822 6 C 2.0022 -1.7312 -0.3180 C.3 1 UNL1111111111 -0.1460 7 C -0.0397 -0.6292 -0.9447 C.3 1 UNL1111111111 -0.1588 8 C 1.0092 -2.8136 -0.8399 C.3 1 UNL1111111111 -0.2766 9 C -0.3526 -2.1230 -1.0745 C.3 1 UNL1111111111 -0.2786 10 C 1.6851 0.8304 0.1031 C.3 1 UNL1111111111 -0.3015 11 C 2.9626 -2.3241 0.7290 C.3 1 UNL1111111111 -0.0778 12 C -1.1229 0.3443 -0.6128 C.2 1 UNL1111111111 0.0638 13 C 0.5012 -0.8554 1.5531 C.3 1 UNL1111111111 -0.4628 14 C 0.6074 1.9062 0.3212 C.3 1 UNL1111111111 -0.2504 15 C -0.5991 1.7521 -0.6231 C.3 1 UNL1111111111 -0.2949 16 C 3.9764 -1.3101 1.2761 C.3 1 UNL1111111111 -0.3360 17 C 3.6895 -3.5503 0.1542 C.3 1 UNL1111111111 -0.4545 18 C -2.3903 -0.0102 -0.3449 C.2 1 UNL1111111111 -0.2543 19 C -3.4537 0.9146 -0.0086 C.2 1 UNL1111111111 -0.1473 20 C 5.3554 1.0373 0.4589 C.3 1 UNL1111111111 -0.3633 21 C -4.6911 0.5589 0.3809 C.2 1 UNL1111111111 -0.0420 22 C 6.6264 1.6582 -0.1396 C.3 1 UNL1111111111 0.3671 23 C -5.1767 -0.8420 0.5586 C.3 1 UNL1111111111 -0.3075 24 C -5.7103 1.5785 0.6663 C.2 1 UNL1111111111 -0.0482 25 C -6.4611 -1.0663 -0.2569 C.3 1 UNL1111111111 0.1782 26 C -7.0005 1.3979 -0.0979 C.3 1 UNL1111111111 0.1588 27 C -7.5412 -0.0294 0.0770 C.3 1 UNL1111111111 -0.3989 28 C 6.7637 3.1111 0.3514 C.3 1 UNL1111111111 -0.5138 29 C 7.9071 0.8727 0.1459 C.3 1 UNL1111111111 -0.5143 30 C -5.5278 2.5803 1.5280 C.2 1 UNL1111111111 -0.3124 31 H 2.6020 -1.3585 -1.1814 H 1 UNL1111111111 0.1545 32 H 0.4212 -0.3012 -1.9163 H 1 UNL1111111111 0.1529 33 H 0.8984 -3.6347 -0.1150 H 1 UNL1111111111 0.1355 34 H 1.3923 -3.2651 -1.7673 H 1 UNL1111111111 0.1353 35 H -1.0918 -2.4504 -0.3247 H 1 UNL1111111111 0.1420 36 H -0.7774 -2.3691 -2.0584 H 1 UNL1111111111 0.1365 37 H 2.4700 0.9448 0.8714 H 1 UNL1111111111 0.1329 38 H 2.1857 0.9865 -0.8715 H 1 UNL1111111111 0.1491 39 H 2.3519 -2.6719 1.6043 H 1 UNL1111111111 0.1376 40 H 1.2446 -0.6818 2.3357 H 1 UNL1111111111 0.1374 41 H 0.1504 -1.8895 1.6440 H 1 UNL1111111111 0.1498 42 H -0.3618 -0.2118 1.7677 H 1 UNL1111111111 0.1573 43 H 1.0541 2.9088 0.1851 H 1 UNL1111111111 0.1330 44 H 0.2561 1.8693 1.3704 H 1 UNL1111111111 0.1394 45 H -1.3783 2.4856 -0.3387 H 1 UNL1111111111 0.1441 46 H -0.3033 2.0248 -1.6581 H 1 UNL1111111111 0.1530 47 H 3.4463 -0.4493 1.7192 H 1 UNL1111111111 0.1511 48 H 4.5607 -1.7735 2.0926 H 1 UNL1111111111 0.1520 49 H 4.1167 -3.3488 -0.8355 H 1 UNL1111111111 0.1577 50 H 4.5071 -3.8755 0.8062 H 1 UNL1111111111 0.1446 51 H 3.0097 -4.4013 0.0411 H 1 UNL1111111111 0.1408 52 H -2.6731 -1.0655 -0.3715 H 1 UNL1111111111 0.1593 53 H -3.2087 1.9794 -0.0896 H 1 UNL1111111111 0.1524 54 H 4.4755 1.5935 0.0774 H 1 UNL1111111111 0.1725 55 H 5.3695 1.1406 1.5560 H 1 UNL1111111111 0.1533 56 H -5.3820 -1.0419 1.6342 H 1 UNL1111111111 0.1732 57 H -4.4205 -1.5999 0.2728 H 1 UNL1111111111 0.1646 58 H -6.2487 -1.0977 -1.3482 H 1 UNL1111111111 0.1165 59 H -7.7722 2.1562 0.1726 H 1 UNL1111111111 0.1456 60 H -7.8912 -0.1771 1.1166 H 1 UNL1111111111 0.1661 61 H -8.4251 -0.1685 -0.5721 H 1 UNL1111111111 0.1573 62 H 5.8731 3.6954 0.0900 H 1 UNL1111111111 0.1622 63 H 7.6192 3.6094 -0.1153 H 1 UNL1111111111 0.1512 64 H 6.9003 3.1602 1.4348 H 1 UNL1111111111 0.1525 65 H 7.9507 -0.0519 -0.4470 H 1 UNL1111111111 0.1746 66 H 7.9771 0.5836 1.2001 H 1 UNL1111111111 0.1607 67 H 8.8034 1.4519 -0.0967 H 1 UNL1111111111 0.1467 68 H -6.2713 3.3314 1.7424 H 1 UNL1111111111 0.1477 69 H -4.6156 2.7204 2.0888 H 1 UNL1111111111 0.1533 70 H 7.1713 1.9425 -2.0340 H 1 UNL1111111111 0.3159 71 H -7.7388 -2.5888 -0.2913 H 1 UNL1111111111 0.3154 72 H -5.9848 1.2293 -1.7993 H 1 UNL1111111111 0.3205 @BOND 1 1 16 1 2 1 20 1 3 2 22 1 4 2 70 1 5 3 25 1 6 3 71 1 7 4 26 1 8 4 72 1 9 5 6 1 10 5 7 1 11 5 10 1 12 5 13 1 13 6 8 1 14 6 11 1 15 6 31 1 16 7 9 1 17 7 12 1 18 7 32 1 19 8 9 1 20 8 33 1 21 8 34 1 22 9 35 1 23 9 36 1 24 10 14 1 25 10 37 1 26 10 38 1 27 11 16 1 28 11 17 1 29 11 39 1 30 12 15 1 31 12 18 2 32 13 40 1 33 13 41 1 34 13 42 1 35 14 15 1 36 14 43 1 37 14 44 1 38 15 45 1 39 15 46 1 40 16 47 1 41 16 48 1 42 17 49 1 43 17 50 1 44 17 51 1 45 18 19 1 46 18 52 1 47 19 21 2 48 19 53 1 49 20 22 1 50 20 54 1 51 20 55 1 52 21 23 1 53 21 24 1 54 22 28 1 55 22 29 1 56 23 25 1 57 23 56 1 58 23 57 1 59 24 26 1 60 24 30 2 61 25 27 1 62 25 58 1 63 26 27 1 64 26 59 1 65 27 60 1 66 27 61 1 67 28 62 1 68 28 63 1 69 28 64 1 70 29 65 1 71 29 66 1 72 29 67 1 73 30 68 1 74 30 69 1