@MOLECULE 5-hydroxy-4-{(e)-2-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5h)-furanone 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9344 -3.5395 -0.0581 O.3 1 UNL1111111111 -0.5462 2 O 5.1793 0.0077 0.8066 O.3 1 UNL1111111111 -0.4672 3 O 3.1453 0.4788 1.7646 O.3 1 UNL1111111111 -0.5485 4 O 6.6580 0.7784 -0.6886 O.2 1 UNL1111111111 -0.3984 5 C -1.3776 0.3881 0.1531 C.3 1 UNL1111111111 0.0931 6 C -2.8096 0.1910 -0.4199 C.3 1 UNL1111111111 -0.1457 7 C -3.8147 1.3423 -0.1381 C.3 1 UNL1111111111 0.1083 8 C -0.8409 1.7674 -0.2795 C.3 1 UNL1111111111 -0.2997 9 C -0.4857 -0.7194 -0.5233 C.3 1 UNL1111111111 -0.1918 10 C -3.3470 -1.1764 0.0186 C.3 1 UNL1111111111 -0.3401 11 C -3.1622 2.6947 -0.5088 C.3 1 UNL1111111111 -0.2962 12 C -1.7927 2.8875 0.1447 C.3 1 UNL1111111111 -0.2587 13 C -2.4554 -2.3003 -0.5325 C.3 1 UNL1111111111 0.1368 14 C -1.2862 0.2458 1.6751 C.3 1 UNL1111111111 -0.4673 15 C -1.0010 -2.0917 -0.1844 C.2 1 UNL1111111111 -0.0274 16 C -4.3355 1.3862 1.3029 C.3 1 UNL1111111111 -0.4629 17 C -5.0374 1.1566 -1.0677 C.3 1 UNL1111111111 -0.4730 18 C 0.9405 -0.5420 -0.1079 C.2 1 UNL1111111111 -0.0308 19 C -0.2557 -3.0723 0.3243 C.2 1 UNL1111111111 -0.3417 20 C 1.9239 -0.2779 -0.9843 C.2 1 UNL1111111111 -0.2513 21 C 3.2889 -0.0706 -0.5891 C.2 1 UNL1111111111 0.0192 22 C 3.7916 -0.3312 0.8414 C.3 1 UNL1111111111 0.3383 23 C 4.3252 0.3704 -1.3249 C.2 1 UNL1111111111 -0.3282 24 C 5.5340 0.4437 -0.4762 C.2 1 UNL1111111111 0.5916 25 H -2.6970 0.1716 -1.5382 H 1 UNL1111111111 0.1381 26 H -0.6997 1.7944 -1.3760 H 1 UNL1111111111 0.1383 27 H 0.1623 1.9382 0.1556 H 1 UNL1111111111 0.1441 28 H -0.5759 -0.5945 -1.6366 H 1 UNL1111111111 0.1579 29 H -4.3828 -1.3290 -0.3405 H 1 UNL1111111111 0.1576 30 H -3.4052 -1.2399 1.1203 H 1 UNL1111111111 0.1525 31 H -3.8363 3.5222 -0.2206 H 1 UNL1111111111 0.1365 32 H -3.0562 2.7641 -1.6083 H 1 UNL1111111111 0.1379 33 H -1.8890 2.9162 1.2458 H 1 UNL1111111111 0.1405 34 H -1.3719 3.8692 -0.1435 H 1 UNL1111111111 0.1326 35 H -2.5787 -2.4189 -1.6372 H 1 UNL1111111111 0.1523 36 H -0.3108 0.5746 2.0540 H 1 UNL1111111111 0.1527 37 H -2.0415 0.8550 2.1847 H 1 UNL1111111111 0.1546 38 H -1.4290 -0.7910 1.9985 H 1 UNL1111111111 0.1510 39 H -3.5408 1.6299 2.0176 H 1 UNL1111111111 0.1480 40 H -5.1116 2.1519 1.4169 H 1 UNL1111111111 0.1451 41 H -4.7756 0.4310 1.6057 H 1 UNL1111111111 0.1458 42 H -5.7199 2.0096 -0.9936 H 1 UNL1111111111 0.1455 43 H -4.7407 1.0640 -2.1166 H 1 UNL1111111111 0.1434 44 H -5.6106 0.2618 -0.8047 H 1 UNL1111111111 0.1482 45 H 1.1275 -0.6262 0.9673 H 1 UNL1111111111 0.1701 46 H -0.6352 -4.0664 0.5166 H 1 UNL1111111111 0.1593 47 H 0.7893 -2.9815 0.5710 H 1 UNL1111111111 0.1504 48 H -2.8664 -3.5945 0.9162 H 1 UNL1111111111 0.3136 49 H 1.7249 -0.1932 -2.0559 H 1 UNL1111111111 0.1686 50 H 3.7006 -1.3660 1.2226 H 1 UNL1111111111 0.1664 51 H 4.3613 0.6496 -2.3612 H 1 UNL1111111111 0.1918 52 H 3.5147 1.3909 1.7742 H 1 UNL1111111111 0.3456 @BOND 1 1 13 1 2 1 48 1 3 2 22 1 4 2 24 1 5 3 22 1 6 3 52 1 7 4 24 2 8 5 6 1 9 5 8 1 10 5 9 1 11 5 14 1 12 6 7 1 13 6 10 1 14 6 25 1 15 7 11 1 16 7 16 1 17 7 17 1 18 8 12 1 19 8 26 1 20 8 27 1 21 9 15 1 22 9 18 1 23 9 28 1 24 10 13 1 25 10 29 1 26 10 30 1 27 11 12 1 28 11 31 1 29 11 32 1 30 12 33 1 31 12 34 1 32 13 15 1 33 13 35 1 34 14 36 1 35 14 37 1 36 14 38 1 37 15 19 2 38 16 39 1 39 16 40 1 40 16 41 1 41 17 42 1 42 17 43 1 43 17 44 1 44 18 20 2 45 18 45 1 46 19 46 1 47 19 47 1 48 20 21 1 49 20 49 1 50 21 22 1 51 21 23 2 52 22 50 1 53 23 24 1 54 23 51 1