@MOLECULE (3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2z)-2-methyl-2-butenoate 74 76 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.0537 2.4086 0.3177 C.3 1 UNL1111111111 -0.1574 2 C 2.3784 1.8110 0.8405 C.3 1 UNL1111111111 -0.3229 3 C 3.1354 1.2817 -0.3875 C.3 1 UNL1111111111 0.1308 4 O 3.0899 -0.1502 -0.3837 O.3 1 UNL1111111111 -0.4413 5 C 2.3017 1.6535 -1.6324 C.3 1 UNL1111111111 -0.1129 6 O 4.6917 -0.2214 1.1781 O.2 1 UNL1111111111 -0.5345 7 C 0.8526 1.8006 -1.0911 C.3 1 UNL1111111111 -0.1456 8 O 0.3167 -0.0341 -2.4788 O.3 1 UNL1111111111 -0.3974 9 C 0.1949 0.4216 -1.1149 C.3 1 UNL1111111111 0.0533 10 O -1.9122 1.6119 -1.2444 O.3 1 UNL1111111111 -0.5785 11 C -1.3189 0.4157 -0.7926 C.3 1 UNL1111111111 0.1703 12 O -1.5433 -1.1038 1.0909 O.3 1 UNL1111111111 -0.4386 13 C -1.6260 0.2664 0.7084 C.3 1 UNL1111111111 0.1072 14 O -3.7424 -1.4248 0.7046 O.2 1 UNL1111111111 -0.5347 15 C -0.5846 0.8826 1.6577 C.3 1 UNL1111111111 -0.3807 16 O -1.1027 3.1292 0.8081 O.3 1 UNL1111111111 -0.5215 17 C -0.0738 2.2933 1.3710 C.3 1 UNL1111111111 0.3294 18 O -2.5300 2.8544 2.5349 O.2 1 UNL1111111111 -0.4942 19 C -1.8974 -0.6303 -1.8002 C.3 1 UNL1111111111 0.2148 20 O -1.7970 -1.9167 -1.2344 O.3 1 UNL1111111111 -0.5457 21 C -0.8349 -0.6147 -2.9208 C.2 1 UNL1111111111 0.5485 22 O -0.9043 -1.0581 -4.0292 O.2 1 UNL1111111111 -0.4434 23 C 3.9052 -0.8105 0.4751 C.2 1 UNL1111111111 0.6113 24 C 3.6654 -2.2630 0.3999 C.2 1 UNL1111111111 -0.1409 25 C 2.3640 -2.6816 -0.1882 C.3 1 UNL1111111111 -0.4246 26 C 4.5812 -3.1359 0.8493 C.2 1 UNL1111111111 -0.0449 27 C 5.8821 -2.7482 1.4451 C.3 1 UNL1111111111 -0.4647 28 C 2.8110 2.9451 -2.2623 C.3 1 UNL1111111111 -0.4527 29 C -2.6607 -1.8747 0.9789 C.2 1 UNL1111111111 0.6536 30 C -2.2916 -3.2909 1.3043 C.3 1 UNL1111111111 -0.3469 31 C -3.4908 -4.2147 1.0776 C.3 1 UNL1111111111 -0.2360 32 C -3.1426 -5.6532 1.4508 C.3 1 UNL1111111111 -0.4410 33 C 0.3901 2.9561 2.6761 C.3 1 UNL1111111111 -0.5117 34 C -2.2772 3.3445 1.4694 C.2 1 UNL1111111111 0.6542 35 C -3.1377 4.2284 0.6357 C.3 1 UNL1111111111 -0.5190 36 C -3.2912 -0.3317 -2.2928 C.3 1 UNL1111111111 -0.4894 37 H 1.2053 3.5108 0.1557 H 1 UNL1111111111 0.1565 38 H 2.9754 2.5642 1.3804 H 1 UNL1111111111 0.1519 39 H 2.2100 0.9910 1.5619 H 1 UNL1111111111 0.1608 40 H 4.1909 1.6062 -0.4322 H 1 UNL1111111111 0.1409 41 H 2.3614 0.8317 -2.3900 H 1 UNL1111111111 0.1827 42 H 0.2682 2.4936 -1.7386 H 1 UNL1111111111 0.1639 43 H 0.7485 -0.3291 -0.5051 H 1 UNL1111111111 0.1742 44 H -1.6143 2.3652 -0.6835 H 1 UNL1111111111 0.3481 45 H -2.6531 0.6576 0.9146 H 1 UNL1111111111 0.1669 46 H -1.0359 0.8582 2.6795 H 1 UNL1111111111 0.1865 47 H 0.2880 0.1922 1.7215 H 1 UNL1111111111 0.1804 48 H -2.4032 -2.5410 -1.6949 H 1 UNL1111111111 0.3356 49 H 2.2369 -2.2810 -1.2107 H 1 UNL1111111111 0.1799 50 H 2.2551 -3.7709 -0.2562 H 1 UNL1111111111 0.1498 51 H 1.5136 -2.3055 0.4026 H 1 UNL1111111111 0.1637 52 H 4.3956 -4.2113 0.7933 H 1 UNL1111111111 0.1482 53 H 5.7385 -2.1909 2.3889 H 1 UNL1111111111 0.1820 54 H 6.5301 -3.6055 1.6602 H 1 UNL1111111111 0.1499 55 H 6.4455 -2.0575 0.7943 H 1 UNL1111111111 0.1766 56 H 3.8414 2.8347 -2.6222 H 1 UNL1111111111 0.1500 57 H 2.1984 3.2274 -3.1285 H 1 UNL1111111111 0.1551 58 H 2.7937 3.7844 -1.5591 H 1 UNL1111111111 0.1430 59 H -1.4250 -3.6032 0.6792 H 1 UNL1111111111 0.1861 60 H -1.9343 -3.3556 2.3533 H 1 UNL1111111111 0.1734 61 H -4.3602 -3.8621 1.6693 H 1 UNL1111111111 0.1519 62 H -3.8204 -4.1600 0.0216 H 1 UNL1111111111 0.1428 63 H -3.9915 -6.3240 1.2723 H 1 UNL1111111111 0.1459 64 H -2.2981 -6.0310 0.8635 H 1 UNL1111111111 0.1439 65 H -2.8756 -5.7421 2.5099 H 1 UNL1111111111 0.1439 66 H 0.7016 3.9930 2.5083 H 1 UNL1111111111 0.1586 67 H -0.4136 2.9824 3.4265 H 1 UNL1111111111 0.1799 68 H 1.2300 2.4213 3.1325 H 1 UNL1111111111 0.1639 69 H -3.7444 3.6280 -0.0669 H 1 UNL1111111111 0.1991 70 H -3.8368 4.8013 1.2652 H 1 UNL1111111111 0.1879 71 H -2.5561 4.9427 0.0328 H 1 UNL1111111111 0.1867 72 H -3.3780 0.6959 -2.6828 H 1 UNL1111111111 0.1876 73 H -3.5974 -1.0076 -3.1010 H 1 UNL1111111111 0.1604 74 H -4.0221 -0.4160 -1.4702 H 1 UNL1111111111 0.1887 @BOND 1 1 2 1 2 1 7 1 3 1 17 1 4 1 37 1 5 2 3 1 6 2 38 1 7 2 39 1 8 3 4 1 9 3 5 1 10 3 40 1 11 4 23 1 12 5 7 1 13 5 28 1 14 5 41 1 15 6 23 2 16 7 9 1 17 7 42 1 18 8 9 1 19 8 21 1 20 9 11 1 21 9 43 1 22 10 11 1 23 10 44 1 24 11 13 1 25 11 19 1 26 12 13 1 27 12 29 1 28 13 15 1 29 13 45 1 30 14 29 2 31 15 17 1 32 15 46 1 33 15 47 1 34 16 17 1 35 16 34 1 36 17 33 1 37 18 34 2 38 19 20 1 39 19 21 1 40 19 36 1 41 20 48 1 42 21 22 2 43 23 24 1 44 24 25 1 45 24 26 2 46 25 49 1 47 25 50 1 48 25 51 1 49 26 27 1 50 26 52 1 51 27 53 1 52 27 54 1 53 27 55 1 54 28 56 1 55 28 57 1 56 28 58 1 57 29 30 1 58 30 31 1 59 30 59 1 60 30 60 1 61 31 32 1 62 31 61 1 63 31 62 1 64 32 63 1 65 32 64 1 66 32 65 1 67 33 66 1 68 33 67 1 69 33 68 1 70 34 35 1 71 35 69 1 72 35 70 1 73 35 71 1 74 36 72 1 75 36 73 1 76 36 74 1