@MOLECULE (3ar,4r,5r,7ar,8ar,8br,8cs)-4,8b-dihydroxy-6,8a-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-5-yl 3-methyl-2-butenoate 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3257 -0.8624 0.5839 O.3 1 UNL1111111111 -0.3774 2 O -2.5488 -0.4311 -1.3476 O.3 1 UNL1111111111 -0.5654 3 O -0.3724 -2.1915 0.0469 O.3 1 UNL1111111111 -0.4030 4 O -0.7349 1.4873 -2.6663 O.3 1 UNL1111111111 -0.5526 5 O 0.9043 1.4703 0.5734 O.3 1 UNL1111111111 -0.4497 6 O 1.2623 -3.6160 -0.4918 O.2 1 UNL1111111111 -0.4315 7 O 2.7913 1.8314 -0.5885 O.2 1 UNL1111111111 -0.5358 8 C -2.9503 -1.0905 0.9439 C.3 1 UNL1111111111 0.1367 9 C -2.0292 -0.3368 -0.0362 C.3 1 UNL1111111111 0.2373 10 C -3.7897 -0.0650 1.6470 C.3 1 UNL1111111111 0.0023 11 C -3.3764 1.3248 1.2000 C.3 1 UNL1111111111 -0.3060 12 C -2.1225 1.1336 0.3821 C.2 1 UNL1111111111 -0.0907 13 C -0.5736 -0.7747 -0.0965 C.3 1 UNL1111111111 0.0685 14 C 0.0448 -0.4447 -1.4779 C.3 1 UNL1111111111 -0.2159 15 C -2.6160 -2.4420 1.4499 C.3 1 UNL1111111111 -0.4548 16 C -1.2558 2.1182 0.1127 C.2 1 UNL1111111111 0.0055 17 C 0.2340 1.0449 -1.7442 C.3 1 UNL1111111111 0.1203 18 C 0.1157 1.9742 -0.5087 C.3 1 UNL1111111111 0.0732 19 C 1.2116 -1.3807 -1.4947 C.2 1 UNL1111111111 -0.1210 20 C 0.7844 -2.5298 -0.6406 C.2 1 UNL1111111111 0.5818 21 C -1.5344 3.5354 0.5015 C.3 1 UNL1111111111 -0.4525 22 C 2.3762 -1.2955 -2.1256 C.2 1 UNL1111111111 -0.2371 23 C 2.2547 1.3848 0.3967 C.2 1 UNL1111111111 0.6419 24 C 2.8397 0.6775 1.5278 C.2 1 UNL1111111111 -0.4090 25 C 4.0621 0.1162 1.4641 C.2 1 UNL1111111111 0.2277 26 C 4.6230 -0.6342 2.6213 C.3 1 UNL1111111111 -0.4823 27 C 4.9179 0.1859 0.2517 C.3 1 UNL1111111111 -0.4863 28 H -4.2639 -0.1973 2.6101 H 1 UNL1111111111 0.1597 29 H -3.1995 1.9830 2.0721 H 1 UNL1111111111 0.1640 30 H -4.1779 1.8033 0.6007 H 1 UNL1111111111 0.1735 31 H -0.0125 -0.3435 0.7695 H 1 UNL1111111111 0.1754 32 H -0.6625 -0.8226 -2.2890 H 1 UNL1111111111 0.2180 33 H -3.4208 -2.8642 2.0678 H 1 UNL1111111111 0.1627 34 H -2.4436 -3.1511 0.6190 H 1 UNL1111111111 0.1887 35 H -1.6925 -2.4391 2.0508 H 1 UNL1111111111 0.1756 36 H 1.1968 1.2453 -2.2780 H 1 UNL1111111111 0.1722 37 H 0.5318 2.9727 -0.7973 H 1 UNL1111111111 0.1579 38 H -3.5362 -0.4765 -1.3207 H 1 UNL1111111111 0.3511 39 H -0.8738 3.8489 1.3256 H 1 UNL1111111111 0.1652 40 H -2.5667 3.7124 0.8252 H 1 UNL1111111111 0.1538 41 H -1.3560 4.2239 -0.3404 H 1 UNL1111111111 0.1647 42 H -1.6323 1.1724 -2.3943 H 1 UNL1111111111 0.3406 43 H 2.6610 -0.4530 -2.7447 H 1 UNL1111111111 0.1650 44 H 3.1338 -2.0684 -2.0750 H 1 UNL1111111111 0.1609 45 H 2.2146 0.6131 2.4180 H 1 UNL1111111111 0.1892 46 H 3.9807 -0.6027 3.5128 H 1 UNL1111111111 0.1646 47 H 5.6066 -0.2395 2.9190 H 1 UNL1111111111 0.1687 48 H 4.7665 -1.6980 2.3685 H 1 UNL1111111111 0.1760 49 H 5.8588 -0.3683 0.3417 H 1 UNL1111111111 0.1563 50 H 5.1697 1.2342 0.0038 H 1 UNL1111111111 0.1892 51 H 4.3898 -0.1944 -0.6410 H 1 UNL1111111111 0.1829 @BOND 1 1 8 1 2 1 10 1 3 2 9 1 4 2 38 1 5 3 13 1 6 3 20 1 7 4 17 1 8 4 42 1 9 5 18 1 10 5 23 1 11 6 20 2 12 7 23 2 13 8 9 1 14 8 10 1 15 8 15 1 16 9 12 1 17 9 13 1 18 10 11 1 19 10 28 1 20 11 12 1 21 11 29 1 22 11 30 1 23 12 16 2 24 13 14 1 25 13 31 1 26 14 17 1 27 14 19 1 28 14 32 1 29 15 33 1 30 15 34 1 31 15 35 1 32 16 18 1 33 16 21 1 34 17 18 1 35 17 36 1 36 18 37 1 37 19 20 1 38 19 22 2 39 21 39 1 40 21 40 1 41 21 41 1 42 22 43 1 43 22 44 1 44 23 24 1 45 24 25 2 46 24 45 1 47 25 26 1 48 25 27 1 49 26 46 1 50 26 47 1 51 26 48 1 52 27 49 1 53 27 50 1 54 27 51 1