@MOLECULE (3s,3as,6as,9s,10r,10ar)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-4-carbaldehyde 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4174 -0.9818 1.7667 O.3 1 UNL1111111111 -0.4325 2 O 0.5677 -1.5128 -1.8610 O.3 1 UNL1111111111 -0.5421 3 O 2.8422 -2.4613 -0.6631 O.3 1 UNL1111111111 -0.5418 4 O -2.1101 -2.4554 0.1430 O.3 1 UNL1111111111 -0.5353 5 O 0.5503 -0.2341 2.4638 O.2 1 UNL1111111111 -0.4550 6 O -4.2156 0.2977 -1.0572 O.2 1 UNL1111111111 -0.4160 7 C 0.0064 -0.1721 0.0441 C.3 1 UNL1111111111 -0.1391 8 C 0.6916 1.1476 -0.3387 C.3 1 UNL1111111111 -0.1166 9 C 2.2340 1.2369 -0.1631 C.3 1 UNL1111111111 0.1035 10 C -1.4693 -0.1676 -0.4585 C.3 1 UNL1111111111 -0.1951 11 C 0.7830 -1.4005 -0.4860 C.3 1 UNL1111111111 0.1163 12 C 2.9075 -0.0445 -0.7044 C.3 1 UNL1111111111 -0.3574 13 C 2.2714 -1.2944 -0.1031 C.3 1 UNL1111111111 0.0916 14 C -0.0420 2.2963 0.3752 C.3 1 UNL1111111111 -0.3089 15 C -0.1912 -0.4264 1.5443 C.2 1 UNL1111111111 0.5828 16 C -2.1632 -1.1347 0.5417 C.3 1 UNL1111111111 0.3636 17 C -2.1197 1.1741 -0.3905 C.2 1 UNL1111111111 -0.1908 18 C 2.6823 1.4797 1.2791 C.3 1 UNL1111111111 -0.4745 19 C 2.7433 2.4149 -1.0240 C.3 1 UNL1111111111 -0.4715 20 C -1.4820 2.2882 0.0019 C.2 1 UNL1111111111 -0.0652 21 C -3.5445 1.2646 -0.7891 C.2 1 UNL1111111111 0.3287 22 H 0.5083 1.2630 -1.4457 H 1 UNL1111111111 0.1558 23 H -1.5374 -0.5677 -1.5024 H 1 UNL1111111111 0.2037 24 H 0.3649 -2.3667 -0.0965 H 1 UNL1111111111 0.1604 25 H 3.9906 -0.0228 -0.4812 H 1 UNL1111111111 0.1556 26 H 2.8490 -0.0800 -1.8090 H 1 UNL1111111111 0.1485 27 H 2.3929 -1.3264 1.0066 H 1 UNL1111111111 0.1474 28 H 0.4285 3.2691 0.1282 H 1 UNL1111111111 0.1580 29 H 0.0633 2.1976 1.4817 H 1 UNL1111111111 0.1838 30 H -3.2185 -0.9509 0.8228 H 1 UNL1111111111 0.1810 31 H 2.3939 0.6608 1.9515 H 1 UNL1111111111 0.1793 32 H 3.7717 1.5792 1.3468 H 1 UNL1111111111 0.1473 33 H 2.2528 2.3952 1.6978 H 1 UNL1111111111 0.1481 34 H 2.3735 3.3761 -0.6535 H 1 UNL1111111111 0.1472 35 H 3.8379 2.4681 -1.0082 H 1 UNL1111111111 0.1519 36 H 2.4354 2.3238 -2.0700 H 1 UNL1111111111 0.1433 37 H -1.9856 3.2543 0.0666 H 1 UNL1111111111 0.1478 38 H 1.2726 -1.0843 -2.3904 H 1 UNL1111111111 0.3319 39 H 3.7619 -2.5807 -0.3553 H 1 UNL1111111111 0.3175 40 H -3.9830 2.2721 -0.8366 H 1 UNL1111111111 0.1111 41 H -1.3385 -2.6705 -0.4306 H 1 UNL1111111111 0.3359 @BOND 1 1 15 1 2 1 16 1 3 2 11 1 4 2 38 1 5 3 13 1 6 3 39 1 7 4 16 1 8 4 41 1 9 5 15 2 10 6 21 2 11 7 8 1 12 7 10 1 13 7 11 1 14 7 15 1 15 8 9 1 16 8 14 1 17 8 22 1 18 9 12 1 19 9 18 1 20 9 19 1 21 10 16 1 22 10 17 1 23 10 23 1 24 11 13 1 25 11 24 1 26 12 13 1 27 12 25 1 28 12 26 1 29 13 27 1 30 14 20 1 31 14 28 1 32 14 29 1 33 16 30 1 34 17 20 2 35 17 21 1 36 18 31 1 37 18 32 1 38 18 33 1 39 19 34 1 40 19 35 1 41 19 36 1 42 20 37 1 43 21 40 1