@MOLECULE (1s,3r,5s,6as,7r,8r,10s,10ar)-1,3-diacetoxy-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methyl-2,4-pentadien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl hexanoate 82 84 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6515 0.5557 -1.2110 O.3 1 UNL11 -0.4379 2 O 1.9779 -1.0619 2.6788 O.3 1 UNL11 -0.5546 3 O 2.0101 -1.6082 -1.2392 O.3 1 UNL11 -0.4866 4 O -0.6004 3.5627 0.9726 O.3 1 UNL11 -0.4440 5 O 4.0455 0.2914 0.6188 O.3 1 UNL11 -0.4633 6 O 1.7258 -1.3234 -3.4553 O.2 1 UNL11 -0.4839 7 O -2.6352 3.3913 1.9112 O.2 1 UNL11 -0.5207 8 O 5.7594 1.1513 -0.5616 O.2 1 UNL11 -0.4971 9 C 1.1748 -0.2029 0.5500 C.3 1 UNL11 -0.0785 10 C -0.3010 -0.1493 0.9946 C.3 1 UNL11 -0.1295 11 C -1.1226 -1.4090 0.6234 C.3 1 UNL11 0.0833 12 C -0.4706 -2.6224 1.3559 C.3 1 UNL11 -0.1003 13 C 1.8325 -1.3819 1.3179 C.3 1 UNL11 0.1721 14 C 1.0524 -2.6929 1.1368 C.3 1 UNL11 -0.3523 15 C -0.9181 1.2000 0.6197 C.3 1 UNL11 -0.3431 16 C 1.8456 1.1306 0.8219 C.2 1 UNL11 -0.0657 17 C 1.5355 -0.3016 -0.9688 C.3 1 UNL11 0.3291 18 C -2.5919 -1.2064 1.0941 C.3 1 UNL11 -0.2956 19 C -0.2276 2.2742 1.4867 C.3 1 UNL11 0.1445 20 C -1.1668 -1.6714 -0.8855 C.3 1 UNL11 -0.4754 21 C 3.1072 1.1443 -0.0037 C.3 1 UNL11 0.3275 22 C 1.2550 2.2379 1.2680 C.2 1 UNL11 -0.1709 23 C -0.7824 -2.6635 2.8596 C.3 1 UNL11 -0.4522 24 C -3.4483 -2.4029 0.8469 C.2 1 UNL11 -0.1814 25 C -4.6031 -2.3885 0.1642 C.2 1 UNL11 -0.0083 26 C 2.1985 -1.9517 -2.5490 C.2 1 UNL11 0.6485 27 C -1.8954 3.9367 1.1339 C.2 1 UNL11 0.6256 28 C 5.3423 0.3250 0.2034 C.2 1 UNL11 0.6444 29 C -5.1965 -1.1658 -0.4544 C.3 1 UNL11 -0.4447 30 C 3.0048 -3.2021 -2.6149 C.3 1 UNL11 -0.5119 31 C -2.2198 5.0620 0.1959 C.3 1 UNL11 -0.3548 32 C -5.3917 -3.6137 -0.0070 C.2 1 UNL11 -0.1324 33 C 6.0873 -0.7789 0.8710 C.3 1 UNL11 -0.5127 34 C -1.9677 4.6051 -1.2482 C.3 1 UNL11 -0.2576 35 C -4.8717 -4.7616 -0.4461 C.2 1 UNL11 -0.3175 36 C -2.8462 3.4041 -1.6293 C.3 1 UNL11 -0.2785 37 C -2.2090 2.6000 -2.7706 C.3 1 UNL11 -0.2482 38 C -2.9618 1.2901 -3.0004 C.3 1 UNL11 -0.4397 39 H -0.2722 -0.1531 2.1275 H 1 UNL11 0.1489 40 H -0.9087 -3.5492 0.9020 H 1 UNL11 0.1376 41 H 2.8995 -1.5140 1.0083 H 1 UNL11 0.1652 42 H 1.2495 -3.0904 0.1212 H 1 UNL11 0.1600 43 H 1.4871 -3.4450 1.8261 H 1 UNL11 0.1508 44 H -0.7905 1.4264 -0.4548 H 1 UNL11 0.1654 45 H -2.0086 1.2224 0.8060 H 1 UNL11 0.1663 46 H 0.7551 0.0057 -1.6893 H 1 UNL11 0.1604 47 H -2.6198 -0.9483 2.1727 H 1 UNL11 0.1525 48 H -3.0114 -0.3168 0.5776 H 1 UNL11 0.1515 49 H -0.5221 2.2138 2.5571 H 1 UNL11 0.1513 50 H -1.3627 -0.7527 -1.4486 H 1 UNL11 0.1498 51 H -1.9668 -2.3783 -1.1450 H 1 UNL11 0.1576 52 H -0.2395 -2.1133 -1.2607 H 1 UNL11 0.1547 53 H 3.5599 2.1125 -0.2905 H 1 UNL11 0.1664 54 H 1.7733 3.1881 1.3904 H 1 UNL11 0.1749 55 H -0.5725 -1.7134 3.3617 H 1 UNL11 0.1363 56 H -0.1908 -3.4381 3.3622 H 1 UNL11 0.1463 57 H -1.8363 -2.9015 3.0471 H 1 UNL11 0.1501 58 H 1.1175 -1.0536 3.1440 H 1 UNL11 0.3108 59 H -3.0786 -3.3326 1.2792 H 1 UNL11 0.1473 60 H -4.4671 -0.6426 -1.0907 H 1 UNL11 0.1580 61 H -5.5352 -0.4554 0.3142 H 1 UNL11 0.1604 62 H -6.0623 -1.3922 -1.0902 H 1 UNL11 0.1511 63 H 2.5715 -3.9108 -3.3375 H 1 UNL11 0.1830 64 H 3.0887 -3.7085 -1.6416 H 1 UNL11 0.1826 65 H 4.0288 -2.9721 -2.9553 H 1 UNL11 0.1886 66 H -3.2773 5.3693 0.3358 H 1 UNL11 0.1759 67 H -1.6026 5.9530 0.4326 H 1 UNL11 0.1740 68 H -6.4502 -3.5188 0.2426 H 1 UNL11 0.1480 69 H 5.6225 -1.0751 1.8271 H 1 UNL11 0.1926 70 H 6.1062 -1.6732 0.2290 H 1 UNL11 0.1826 71 H 7.1291 -0.4859 1.0706 H 1 UNL11 0.1832 72 H -0.8938 4.3472 -1.3677 H 1 UNL11 0.1618 73 H -2.1509 5.4447 -1.9443 H 1 UNL11 0.1410 74 H -5.4476 -5.6632 -0.5809 H 1 UNL11 0.1435 75 H -3.8326 -4.8834 -0.7107 H 1 UNL11 0.1465 76 H -3.8561 3.7463 -1.9198 H 1 UNL11 0.1370 77 H -3.0051 2.7426 -0.7556 H 1 UNL11 0.1441 78 H -2.1970 3.2022 -3.6980 H 1 UNL11 0.1347 79 H -1.1463 2.3844 -2.5415 H 1 UNL11 0.1412 80 H -2.5017 0.7063 -3.8070 H 1 UNL11 0.1489 81 H -4.0055 1.4693 -3.2793 H 1 UNL11 0.1405 82 H -2.9614 0.6632 -2.1008 H 1 UNL11 0.1409 @BOND 1 1 17 1 2 1 21 1 3 2 13 1 4 2 58 1 5 3 17 1 6 3 26 1 7 4 19 1 8 4 27 1 9 5 21 1 10 5 28 1 11 6 26 2 12 7 27 2 13 8 28 2 14 9 10 1 15 9 16 1 16 10 11 1 17 10 15 1 18 10 39 1 19 11 12 1 20 11 18 1 21 11 20 1 22 12 14 1 23 12 23 1 24 12 40 1 25 13 9 1 26 13 14 1 27 13 41 1 28 14 42 1 29 14 43 1 30 15 19 1 31 15 44 1 32 15 45 1 33 16 21 1 34 16 22 2 35 17 9 1 36 17 46 1 37 18 24 1 38 18 47 1 39 18 48 1 40 19 22 1 41 19 49 1 42 20 50 1 43 20 51 1 44 20 52 1 45 21 53 1 46 22 54 1 47 23 55 1 48 23 56 1 49 23 57 1 50 24 25 2 51 24 59 1 52 25 29 1 53 25 32 1 54 26 30 1 55 27 31 1 56 28 33 1 57 29 60 1 58 29 61 1 59 29 62 1 60 30 63 1 61 30 64 1 62 30 65 1 63 31 34 1 64 31 66 1 65 31 67 1 66 32 35 2 67 32 68 1 68 33 69 1 69 33 70 1 70 33 71 1 71 34 36 1 72 34 72 1 73 34 73 1 74 35 74 1 75 35 75 1 76 36 37 1 77 36 76 1 78 36 77 1 79 37 38 1 80 37 78 1 81 37 79 1 82 38 80 1 83 38 81 1 84 38 82 1