@MOLECULE (3ar,4ar,5r,7s,7as,9as)-5-hydroxy-5,8-dimethyl-3-methylene-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-7-yl acetate 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9689 2.3423 -0.9604 O.3 1 UNL1111111111 -0.5724 2 O 2.6980 -0.7041 -0.3101 O.3 1 UNL1111111111 -0.4334 3 O -3.5337 -1.4512 0.4711 O.3 1 UNL1111111111 -0.3988 4 O -5.5552 -0.7264 -0.1287 O.2 1 UNL1111111111 -0.4262 5 O 4.7845 -0.6391 0.5227 O.2 1 UNL1111111111 -0.5209 6 C 0.2680 0.8450 -0.1144 C.3 1 UNL1111111111 -0.1742 7 C 0.6285 -0.3640 0.7945 C.3 1 UNL1111111111 -0.1661 8 C 1.3234 1.9461 0.2370 C.3 1 UNL1111111111 0.3257 9 C 2.1662 -0.2443 0.9349 C.3 1 UNL1111111111 0.1401 10 C 2.4320 1.2577 1.0578 C.3 1 UNL1111111111 -0.3671 11 C -1.1747 1.3378 0.0251 C.3 1 UNL1111111111 -0.2812 12 C -2.1529 0.2703 -0.4505 C.3 1 UNL1111111111 -0.1634 13 C 0.1148 -1.6948 0.3209 C.2 1 UNL1111111111 0.0621 14 C -2.2052 -0.9048 0.5695 C.3 1 UNL1111111111 0.1141 15 C 0.7883 3.1908 0.9403 C.3 1 UNL1111111111 -0.5090 16 C -1.2019 -1.9441 0.2427 C.2 1 UNL1111111111 -0.2772 17 C -3.5928 0.6627 -0.5549 C.2 1 UNL1111111111 -0.1357 18 C 1.0828 -2.7749 -0.0204 C.3 1 UNL1111111111 -0.4478 19 C -4.3785 -0.5129 -0.0798 C.2 1 UNL1111111111 0.5756 20 C -4.1340 1.7933 -0.9918 C.2 1 UNL1111111111 -0.2298 21 C 4.0458 -0.8082 -0.4134 C.2 1 UNL1111111111 0.6312 22 C 4.4122 -1.1594 -1.8141 C.3 1 UNL1111111111 -0.5101 23 H 0.4541 0.5376 -1.1748 H 1 UNL1111111111 0.1710 24 H 0.1976 -0.1826 1.8165 H 1 UNL1111111111 0.1592 25 H 2.5945 -0.8499 1.7550 H 1 UNL1111111111 0.1414 26 H 2.4345 1.5841 2.1092 H 1 UNL1111111111 0.1594 27 H 3.4318 1.5283 0.6591 H 1 UNL1111111111 0.1916 28 H -1.3124 2.2589 -0.5764 H 1 UNL1111111111 0.1454 29 H -1.3965 1.6276 1.0704 H 1 UNL1111111111 0.1505 30 H -1.8186 -0.1172 -1.4494 H 1 UNL1111111111 0.1749 31 H -2.1238 -0.5539 1.6248 H 1 UNL1111111111 0.1440 32 H 0.2972 2.9454 1.8877 H 1 UNL1111111111 0.1584 33 H 1.6138 3.8820 1.1641 H 1 UNL1111111111 0.1668 34 H 0.0746 3.7446 0.3227 H 1 UNL1111111111 0.1493 35 H -1.6089 -2.9048 -0.0668 H 1 UNL1111111111 0.1798 36 H 1.3733 2.8520 -1.5371 H 1 UNL1111111111 0.3135 37 H 1.5765 -2.5637 -0.9834 H 1 UNL1111111111 0.1703 38 H 0.6020 -3.7586 -0.1163 H 1 UNL1111111111 0.1543 39 H 1.8756 -2.8789 0.7331 H 1 UNL1111111111 0.1598 40 H -3.5600 2.6393 -1.3419 H 1 UNL1111111111 0.1514 41 H -5.2063 1.9539 -1.0353 H 1 UNL1111111111 0.1666 42 H 4.6604 -0.2440 -2.3790 H 1 UNL1111111111 0.1910 43 H 3.5936 -1.6574 -2.3546 H 1 UNL1111111111 0.1815 44 H 5.2969 -1.8138 -1.8368 H 1 UNL1111111111 0.1846 @BOND 1 1 8 1 2 1 36 1 3 2 9 1 4 2 21 1 5 3 14 1 6 3 19 1 7 4 19 2 8 5 21 2 9 6 7 1 10 6 8 1 11 6 11 1 12 6 23 1 13 7 9 1 14 7 13 1 15 7 24 1 16 8 10 1 17 8 15 1 18 9 10 1 19 9 25 1 20 10 26 1 21 10 27 1 22 11 12 1 23 11 28 1 24 11 29 1 25 12 14 1 26 12 17 1 27 12 30 1 28 13 16 2 29 13 18 1 30 14 16 1 31 14 31 1 32 15 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 17 19 1 37 17 20 2 38 18 37 1 39 18 38 1 40 18 39 1 41 20 40 1 42 20 41 1 43 21 22 1 44 22 42 1 45 22 43 1 46 22 44 1