@MOLECULE (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-acetoxy-3a,4-bis(butyryloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2z)-2-methyl-2-butenoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate 107 109 0 0 0 SMALL GASTEIGER @ATOM 1 C 10.9468 2.8973 0.6151 C.3 1 UNL1111111111 -0.4399 2 C 9.6889 2.3281 1.2713 C.3 1 UNL1111111111 -0.2524 3 C 8.6608 1.9080 0.2122 C.3 1 UNL1111111111 -0.2750 4 C 7.4081 1.3210 0.8744 C.3 1 UNL1111111111 -0.2735 5 C 6.4281 0.7987 -0.1835 C.3 1 UNL1111111111 -0.2694 6 C 5.1876 0.1968 0.4858 C.3 1 UNL1111111111 -0.2592 7 C 4.2609 -0.4187 -0.5660 C.3 1 UNL1111111111 -0.3453 8 C 3.0998 -1.0777 0.1120 C.2 1 UNL1111111111 0.6409 9 O 3.1154 -1.8155 1.0629 O.2 1 UNL1111111111 -0.5369 10 O 1.9563 -0.7164 -0.5212 O.3 1 UNL1111111111 -0.4525 11 C 0.7312 -1.3390 -0.1478 C.3 1 UNL1111111111 0.0850 12 C -0.2755 -0.1962 0.1480 C.3 1 UNL1111111111 -0.2116 13 C -0.9241 -0.2988 1.5437 C.3 1 UNL1111111111 0.3462 14 O 0.0919 -0.6799 2.4964 O.3 1 UNL1111111111 -0.4798 15 C 1.1930 0.0708 2.7177 C.2 1 UNL1111111111 0.6699 16 O 1.4089 1.1238 2.1696 O.2 1 UNL1111111111 -0.5582 17 C 2.0527 -0.6060 3.7278 C.3 1 UNL1111111111 -0.5222 18 C -1.8841 -1.4816 1.6632 C.3 1 UNL1111111111 -0.4712 19 C -1.5222 1.0239 2.0626 C.3 1 UNL1111111111 -0.3705 20 C -2.7133 1.6201 1.3143 C.3 1 UNL1111111111 0.1372 21 O -3.7593 0.6572 1.3826 O.3 1 UNL1111111111 -0.4517 22 C -5.0170 1.0751 1.6879 C.2 1 UNL1111111111 0.6538 23 O -5.2551 2.1842 2.0952 O.2 1 UNL1111111111 -0.5437 24 C -5.9669 -0.0573 1.4561 C.3 1 UNL1111111111 -0.3462 25 C -7.1501 0.0379 2.4230 C.3 1 UNL1111111111 -0.2375 26 C -8.1782 -1.0489 2.1199 C.3 1 UNL1111111111 -0.4395 27 C -2.4234 1.8648 -0.1870 C.3 1 UNL1111111111 0.1467 28 O -1.1521 2.4663 -0.1332 O.3 1 UNL1111111111 -0.4644 29 C -0.4506 2.8341 -1.2482 C.2 1 UNL1111111111 0.6218 30 O -0.9419 2.8747 -2.3403 O.2 1 UNL1111111111 -0.4741 31 C 0.9355 3.1942 -0.8128 C.3 1 UNL1111111111 -0.3499 32 C 1.9482 2.5771 -1.7848 C.3 1 UNL1111111111 -0.2322 33 C 3.3607 3.0486 -1.4479 C.3 1 UNL1111111111 -0.4410 34 C -3.4509 2.7536 -0.9546 C.3 1 UNL1111111111 0.1814 35 C -3.2233 4.2426 -0.9023 C.3 1 UNL1111111111 -0.4915 36 O -4.7310 2.3914 -0.4979 O.3 1 UNL1111111111 -0.5678 37 C -3.3895 2.1613 -2.3866 C.2 1 UNL1111111111 0.5776 38 O -3.7992 2.6116 -3.4112 O.2 1 UNL1111111111 -0.4128 39 O -2.7898 0.9251 -2.3555 O.3 1 UNL1111111111 -0.3775 40 C -2.4852 0.5514 -1.0005 C.3 1 UNL1111111111 0.0667 41 C -1.2810 -0.3008 -0.9702 C.2 1 UNL1111111111 -0.0935 42 C -1.0111 -1.2901 -1.8401 C.2 1 UNL1111111111 0.0265 43 C -1.7468 -1.6759 -3.0547 C.3 1 UNL1111111111 -0.4410 44 C 0.2388 -2.0390 -1.4462 C.3 1 UNL1111111111 0.0687 45 O -0.1792 -3.3511 -1.0847 O.3 1 UNL1111111111 -0.4205 46 C 0.7098 -4.3640 -1.2812 C.2 1 UNL1111111111 0.6004 47 O 1.7605 -4.1935 -1.8486 O.2 1 UNL1111111111 -0.5118 48 C 0.1935 -5.6239 -0.7120 C.2 1 UNL1111111111 -0.1365 49 C -1.1916 -5.5861 -0.1766 C.3 1 UNL1111111111 -0.4213 50 C 1.0137 -6.6869 -0.7081 C.2 1 UNL1111111111 -0.0417 51 C 0.6538 -8.0192 -0.1622 C.3 1 UNL1111111111 -0.4564 52 H 11.6872 3.1942 1.3663 H 1 UNL1111111111 0.1411 53 H 11.4231 2.1619 -0.0430 H 1 UNL1111111111 0.1429 54 H 10.7183 3.7822 0.0106 H 1 UNL1111111111 0.1425 55 H 9.9549 1.4608 1.9053 H 1 UNL1111111111 0.1343 56 H 9.2453 3.0776 1.9533 H 1 UNL1111111111 0.1338 57 H 8.3886 2.7756 -0.4162 H 1 UNL1111111111 0.1362 58 H 7.6935 0.5013 1.5610 H 1 UNL1111111111 0.1384 59 H 6.1348 1.6183 -0.8662 H 1 UNL1111111111 0.1366 60 H 6.9275 0.0396 -0.8153 H 1 UNL1111111111 0.1397 61 H 5.4851 -0.5742 1.2255 H 1 UNL1111111111 0.1553 62 H 4.6491 0.9742 1.0635 H 1 UNL1111111111 0.1496 63 H 3.9200 0.3528 -1.2913 H 1 UNL1111111111 0.1833 64 H 4.7986 -1.1834 -1.1695 H 1 UNL1111111111 0.1805 65 H 0.8684 -2.0450 0.6960 H 1 UNL1111111111 0.1756 66 H 0.2882 0.7743 0.0908 H 1 UNL1111111111 0.2067 67 H 2.6986 -1.3607 3.2338 H 1 UNL1111111111 0.2146 68 H 2.7115 0.1134 4.2334 H 1 UNL1111111111 0.1789 69 H 1.4676 -1.1457 4.4858 H 1 UNL1111111111 0.1812 70 H -1.3922 -2.4224 1.3807 H 1 UNL1111111111 0.1628 71 H -2.2484 -1.5959 2.6908 H 1 UNL1111111111 0.1569 72 H -2.7558 -1.3564 1.0100 H 1 UNL1111111111 0.1717 73 H -1.8138 0.8698 3.1240 H 1 UNL1111111111 0.1665 74 H -0.7166 1.7985 2.0835 H 1 UNL1111111111 0.1972 75 H -3.0300 2.5745 1.8018 H 1 UNL1111111111 0.1600 76 H -6.3191 -0.0074 0.3984 H 1 UNL1111111111 0.1908 77 H -5.4562 -1.0385 1.5517 H 1 UNL1111111111 0.1764 78 H -6.7983 -0.0472 3.4696 H 1 UNL1111111111 0.1417 79 H -7.6190 1.0417 2.3516 H 1 UNL1111111111 0.1562 80 H -9.0315 -0.9873 2.8056 H 1 UNL1111111111 0.1458 81 H -8.5731 -0.9577 1.1011 H 1 UNL1111111111 0.1475 82 H -7.7505 -2.0525 2.2213 H 1 UNL1111111111 0.1427 83 H 1.0355 4.2992 -0.7855 H 1 UNL1111111111 0.1735 84 H 1.8917 1.4686 -1.7366 H 1 UNL1111111111 0.1574 85 H 4.0961 2.6262 -2.1420 H 1 UNL1111111111 0.1417 86 H 3.4485 4.1393 -1.5069 H 1 UNL1111111111 0.1414 87 H 3.6520 2.7509 -0.4320 H 1 UNL1111111111 0.1505 88 H -2.4256 4.5656 -1.5905 H 1 UNL1111111111 0.1867 89 H -4.1244 4.7893 -1.2223 H 1 UNL1111111111 0.1728 90 H -2.9515 4.5855 0.1036 H 1 UNL1111111111 0.1634 91 H -5.1059 3.0744 0.1092 H 1 UNL1111111111 0.3538 92 H -3.3826 -0.0494 -0.6760 H 1 UNL1111111111 0.1745 93 H -1.3008 -1.2080 -3.9501 H 1 UNL1111111111 0.1745 94 H -1.7458 -2.7638 -3.2127 H 1 UNL1111111111 0.1579 95 H -2.7981 -1.3416 -3.0357 H 1 UNL1111111111 0.1740 96 H 1.0143 -2.0609 -2.2429 H 1 UNL1111111111 0.1794 97 H -1.2679 -4.8903 0.6756 H 1 UNL1111111111 0.1656 98 H -1.9057 -5.2256 -0.9352 H 1 UNL1111111111 0.1649 99 H -1.5469 -6.5655 0.1657 H 1 UNL1111111111 0.1484 100 H 2.0246 -6.6096 -1.1273 H 1 UNL1111111111 0.1666 101 H -0.1614 -8.4829 -0.7403 H 1 UNL1111111111 0.1652 102 H 1.4986 -8.7218 -0.1781 H 1 UNL1111111111 0.1558 103 H 0.3089 -7.9534 0.8817 H 1 UNL1111111111 0.1649 104 H 9.1117 1.1675 -0.4747 H 1 UNL1111111111 0.1370 105 H 6.9185 2.0870 1.5040 H 1 UNL1111111111 0.1375 106 H 1.1427 2.8506 0.2300 H 1 UNL1111111111 0.1991 107 H 1.6895 2.8466 -2.8292 H 1 UNL1111111111 0.1537 @BOND 1 1 2 1 2 1 52 1 3 1 53 1 4 1 54 1 5 2 3 1 6 2 55 1 7 2 56 1 8 3 4 1 9 3 57 1 10 3 104 1 11 4 5 1 12 4 58 1 13 4 105 1 14 5 6 1 15 5 59 1 16 5 60 1 17 6 7 1 18 6 61 1 19 6 62 1 20 7 8 1 21 7 63 1 22 7 64 1 23 8 10 1 24 9 8 2 25 10 11 1 26 11 12 1 27 11 65 1 28 12 13 1 29 12 41 1 30 12 66 1 31 13 19 1 32 14 13 1 33 15 14 1 34 16 15 2 35 17 15 1 36 17 67 1 37 17 68 1 38 17 69 1 39 18 13 1 40 18 70 1 41 18 71 1 42 18 72 1 43 19 20 1 44 19 73 1 45 19 74 1 46 20 21 1 47 20 27 1 48 20 75 1 49 21 22 1 50 22 23 2 51 24 22 1 52 24 25 1 53 24 76 1 54 24 77 1 55 25 26 1 56 25 78 1 57 25 79 1 58 26 80 1 59 26 81 1 60 26 82 1 61 27 28 1 62 27 34 1 63 29 28 1 64 29 31 1 65 30 29 2 66 31 83 1 67 31 106 1 68 32 31 1 69 32 33 1 70 32 84 1 71 32 107 1 72 33 85 1 73 33 86 1 74 33 87 1 75 34 35 1 76 35 88 1 77 35 89 1 78 35 90 1 79 36 34 1 80 36 91 1 81 37 34 1 82 38 37 2 83 39 37 1 84 40 39 1 85 40 27 1 86 40 92 1 87 41 40 1 88 42 43 1 89 42 41 2 90 43 93 1 91 43 94 1 92 43 95 1 93 44 11 1 94 44 42 1 95 44 96 1 96 45 44 1 97 46 45 1 98 47 46 2 99 48 50 2 100 48 46 1 101 49 48 1 102 49 97 1 103 49 98 1 104 49 99 1 105 50 51 1 106 50 100 1 107 51 101 1 108 51 102 1 109 51 103 1