@MOLECULE (4s,4as,5s,8as,9as)-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4h)-one 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3061 -2.1656 -0.3260 O.3 1 UNL1111111111 -0.5870 2 O -0.1390 -0.6513 -2.2227 O.3 1 UNL1111111111 -0.3858 3 O 2.1934 -0.3286 1.4204 O.3 1 UNL1111111111 -0.4624 4 O 1.5624 -1.7724 -0.2489 O.3 1 UNL1111111111 -0.3790 5 O 3.7218 1.3044 1.5236 O.2 1 UNL1111111111 -0.4191 6 C -1.5119 0.2564 -0.5308 C.3 1 UNL1111111111 -0.0205 7 C -1.3874 -0.9786 0.4274 C.3 1 UNL1111111111 0.3189 8 C -1.7923 1.5170 0.3279 C.3 1 UNL1111111111 -0.0948 9 C -0.1897 0.4646 -1.3413 C.3 1 UNL1111111111 0.0839 10 C -0.1368 -0.9352 1.3453 C.3 1 UNL1111111111 -0.4119 11 C -2.6555 -1.1584 1.2817 C.3 1 UNL1111111111 -0.3051 12 C 1.1151 -0.7104 0.5261 C.3 1 UNL1111111111 0.4393 13 C -3.0626 1.3307 1.1793 C.3 1 UNL1111111111 -0.2770 14 C 0.9719 0.4761 -0.4231 C.2 1 UNL1111111111 -0.1231 15 C -2.9637 0.1021 2.0886 C.3 1 UNL1111111111 -0.2643 16 C -2.6209 -0.0071 -1.5532 C.3 1 UNL1111111111 -0.4415 17 C -1.9448 2.7893 -0.5142 C.3 1 UNL1111111111 -0.4550 18 C 1.9325 1.3718 -0.1627 C.2 1 UNL1111111111 -0.0882 19 C 2.7592 0.8522 0.9806 C.2 1 UNL1111111111 0.5891 20 C 2.2324 2.6756 -0.7647 C.3 1 UNL1111111111 -0.4253 21 C 1.0297 -0.7054 -3.0208 C.3 1 UNL1111111111 -0.1989 22 C 1.8276 -2.9777 0.4561 C.3 1 UNL1111111111 -0.1907 23 H -0.9248 1.6622 1.0194 H 1 UNL1111111111 0.1384 24 H -0.2482 1.3843 -1.9675 H 1 UNL1111111111 0.1385 25 H -0.0757 -1.8859 1.9120 H 1 UNL1111111111 0.1830 26 H -0.2388 -0.1429 2.1118 H 1 UNL1111111111 0.1769 27 H -2.5355 -2.0357 1.9445 H 1 UNL1111111111 0.1514 28 H -3.5024 -1.4184 0.6160 H 1 UNL1111111111 0.1600 29 H -3.9490 1.2448 0.5224 H 1 UNL1111111111 0.1415 30 H -3.2325 2.2360 1.7919 H 1 UNL1111111111 0.1343 31 H -2.1914 0.2637 2.8647 H 1 UNL1111111111 0.1376 32 H -3.9132 -0.0318 2.6418 H 1 UNL1111111111 0.1350 33 H -2.4853 -0.9881 -2.0365 H 1 UNL1111111111 0.1731 34 H -3.6126 -0.0165 -1.0902 H 1 UNL1111111111 0.1485 35 H -2.6269 0.7434 -2.3497 H 1 UNL1111111111 0.1432 36 H -2.1827 3.6517 0.1196 H 1 UNL1111111111 0.1454 37 H -1.0256 3.0358 -1.0548 H 1 UNL1111111111 0.1406 38 H -2.7508 2.6939 -1.2498 H 1 UNL1111111111 0.1486 39 H -0.6223 -2.0671 -1.0328 H 1 UNL1111111111 0.3547 40 H 2.0944 3.4969 -0.0386 H 1 UNL1111111111 0.1734 41 H 1.6038 2.8993 -1.6383 H 1 UNL1111111111 0.1568 42 H 3.2858 2.7333 -1.0940 H 1 UNL1111111111 0.1761 43 H 1.1330 0.1982 -3.6273 H 1 UNL1111111111 0.1207 44 H 0.8435 -1.5792 -3.6586 H 1 UNL1111111111 0.1467 45 H 1.9209 -0.8720 -2.4039 H 1 UNL1111111111 0.1440 46 H 2.4340 -2.7957 1.3490 H 1 UNL1111111111 0.1439 47 H 2.3939 -3.5632 -0.2793 H 1 UNL1111111111 0.1462 48 H 0.8828 -3.4769 0.7016 H 1 UNL1111111111 0.1399 @BOND 1 1 7 1 2 1 39 1 3 2 9 1 4 2 21 1 5 3 12 1 6 3 19 1 7 4 12 1 8 4 22 1 9 5 19 2 10 6 7 1 11 6 8 1 12 6 9 1 13 6 16 1 14 7 10 1 15 7 11 1 16 8 13 1 17 8 17 1 18 8 23 1 19 9 14 1 20 9 24 1 21 10 12 1 22 10 25 1 23 10 26 1 24 11 15 1 25 11 27 1 26 11 28 1 27 12 14 1 28 13 15 1 29 13 29 1 30 13 30 1 31 14 18 2 32 15 31 1 33 15 32 1 34 16 33 1 35 16 34 1 36 16 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 18 19 1 41 18 20 1 42 20 40 1 43 20 41 1 44 20 42 1 45 21 43 1 46 21 44 1 47 21 45 1 48 22 46 1 49 22 47 1 50 22 48 1