@MOLECULE (2s,4r,4as,9ar)-6,8-dihydroxy-3,3,4a-trimethyl-7-(3-methylbutanoyl)-2,3,4,4a,9,9a-hexahydro-1h-2,4-methanoxanthene-5-carbaldehyde 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6441 -0.9366 -0.3716 O.3 1 UNL1111111111 -0.3365 2 O 1.5308 2.4985 -0.2778 O.3 1 UNL1111111111 -0.4702 3 O 2.9714 -2.0062 -0.3653 O.3 1 UNL1111111111 -0.4736 4 O -0.7530 -3.3833 0.2314 O.2 1 UNL1111111111 -0.4222 5 O 3.9740 1.8878 -0.2729 O.2 1 UNL1111111111 -0.5603 6 C -3.9124 -0.6947 -0.1800 C.3 1 UNL1111111111 -0.1702 7 C -5.1645 0.1327 0.3026 C.3 1 UNL1111111111 0.0821 8 C -4.7365 1.1767 -0.7971 C.3 1 UNL1111111111 -0.1317 9 C -2.6048 -0.1934 0.4444 C.3 1 UNL1111111111 0.2871 10 C -4.0316 0.0185 -1.5661 C.3 1 UNL1111111111 -0.2937 11 C -2.4358 1.3538 0.3581 C.3 1 UNL1111111111 -0.1545 12 C -3.6612 2.1101 -0.2445 C.3 1 UNL1111111111 -0.2864 13 C -6.4627 -0.5881 -0.0578 C.3 1 UNL1111111111 -0.4642 14 C -5.2688 0.6167 1.7338 C.3 1 UNL1111111111 -0.4651 15 C -1.1775 1.7781 -0.4287 C.3 1 UNL1111111111 -0.2302 16 C -2.3551 -0.7351 1.8516 C.3 1 UNL1111111111 -0.5153 17 C -0.0577 0.8141 -0.2874 C.ar 1 UNL1111111111 -0.3420 18 C -0.3728 -0.5445 -0.2945 C.ar 1 UNL1111111111 0.4367 19 C 1.2885 1.1947 -0.2712 C.ar 1 UNL1111111111 0.4758 20 C 0.6228 -1.5480 -0.3220 C.ar 1 UNL1111111111 -0.4949 21 C 2.3396 0.2305 -0.2693 C.ar 1 UNL1111111111 -0.4980 22 C 1.9544 -1.1199 -0.3268 C.ar 1 UNL1111111111 0.4724 23 C 0.2455 -2.9605 -0.2985 C.2 1 UNL1111111111 0.3827 24 C 3.7254 0.6867 -0.2165 C.2 1 UNL1111111111 0.5654 25 C 4.8521 -0.2944 -0.0904 C.3 1 UNL1111111111 -0.3782 26 C 6.2087 0.3951 0.1453 C.3 1 UNL1111111111 -0.0409 27 C 6.2886 0.9465 1.5727 C.3 1 UNL1111111111 -0.4544 28 C 7.3439 -0.6057 -0.1015 C.3 1 UNL1111111111 -0.4605 29 H -4.0067 -1.7818 -0.1613 H 1 UNL1111111111 0.1587 30 H -5.5453 1.6969 -1.3094 H 1 UNL1111111111 0.1351 31 H -4.6608 -0.5019 -2.2891 H 1 UNL1111111111 0.1397 32 H -3.0895 0.2634 -2.0585 H 1 UNL1111111111 0.1540 33 H -2.3058 1.7195 1.4075 H 1 UNL1111111111 0.1462 34 H -4.1001 2.7702 0.5262 H 1 UNL1111111111 0.1390 35 H -3.3304 2.7923 -1.0506 H 1 UNL1111111111 0.1443 36 H -6.6209 -1.4587 0.5896 H 1 UNL1111111111 0.1501 37 H -7.3273 0.0747 0.0575 H 1 UNL1111111111 0.1456 38 H -6.4686 -0.9501 -1.0918 H 1 UNL1111111111 0.1499 39 H -5.4452 -0.2193 2.4228 H 1 UNL1111111111 0.1506 40 H -4.3761 1.1464 2.0810 H 1 UNL1111111111 0.1517 41 H -6.1101 1.3136 1.8448 H 1 UNL1111111111 0.1489 42 H -0.8699 2.7963 -0.1051 H 1 UNL1111111111 0.1631 43 H -1.4225 1.8744 -1.5114 H 1 UNL1111111111 0.1540 44 H -1.4644 -0.2901 2.3090 H 1 UNL1111111111 0.1595 45 H -3.2020 -0.5765 2.5223 H 1 UNL1111111111 0.1622 46 H -2.1782 -1.8253 1.8075 H 1 UNL1111111111 0.1881 47 H 0.9335 -3.6681 -0.7922 H 1 UNL1111111111 0.0842 48 H 2.5557 2.6856 -0.2895 H 1 UNL1111111111 0.3953 49 H 2.6783 -2.9515 -0.4318 H 1 UNL1111111111 0.3396 50 H 4.8963 -0.9149 -1.0131 H 1 UNL1111111111 0.1805 51 H 4.6488 -1.0114 0.7345 H 1 UNL1111111111 0.1818 52 H 6.3098 1.2469 -0.5740 H 1 UNL1111111111 0.1508 53 H 6.1864 0.1564 2.3222 H 1 UNL1111111111 0.1388 54 H 7.2446 1.4505 1.7495 H 1 UNL1111111111 0.1427 55 H 5.4955 1.6850 1.7497 H 1 UNL1111111111 0.1572 56 H 7.2675 -1.4736 0.5616 H 1 UNL1111111111 0.1428 57 H 8.3208 -0.1424 0.0771 H 1 UNL1111111111 0.1462 58 H 7.3406 -0.9721 -1.1334 H 1 UNL1111111111 0.1405 @BOND 1 1 9 1 2 1 18 1 3 2 19 1 4 2 48 1 5 3 22 1 6 3 49 1 7 4 23 2 8 5 24 2 9 6 7 1 10 6 9 1 11 6 10 1 12 6 29 1 13 7 8 1 14 7 13 1 15 7 14 1 16 8 10 1 17 8 12 1 18 8 30 1 19 9 11 1 20 9 16 1 21 10 31 1 22 10 32 1 23 11 12 1 24 11 15 1 25 11 33 1 26 12 34 1 27 12 35 1 28 13 36 1 29 13 37 1 30 13 38 1 31 14 39 1 32 14 40 1 33 14 41 1 34 15 17 1 35 15 42 1 36 15 43 1 37 16 44 1 38 16 45 1 39 16 46 1 40 17 18 ar 41 17 19 ar 42 18 20 ar 43 19 21 ar 44 20 22 ar 45 20 23 1 46 21 22 ar 47 21 24 1 48 23 47 1 49 24 25 1 50 25 26 1 51 25 50 1 52 25 51 1 53 26 27 1 54 26 28 1 55 26 52 1 56 27 53 1 57 27 54 1 58 27 55 1 59 28 56 1 60 28 57 1 61 28 58 1