@MOLECULE {(1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-[(3-methylbutanoyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl}methyl 3-methylbutanoate 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0475 -1.2554 1.6219 O.2 1 UNL1111111111 -0.3613 2 O 4.5802 0.9211 -1.6580 O.3 1 UNL1111111111 -0.5623 3 O 0.1615 -1.6382 -0.4447 O.3 1 UNL1111111111 -0.4924 4 O -0.7262 2.7522 0.7533 O.3 1 UNL1111111111 -0.4272 5 O -0.0962 -3.7878 0.1621 O.2 1 UNL1111111111 -0.4990 6 O -1.9963 1.3759 1.9922 O.2 1 UNL1111111111 -0.5318 7 C 2.1799 -0.4564 -0.4280 C.3 1 UNL1111111111 -0.1965 8 C 1.7188 0.9866 -0.0998 C.3 1 UNL1111111111 -0.0622 9 C 3.6677 -0.5371 -0.0251 C.3 1 UNL1111111111 -0.1118 10 C 4.1976 0.8879 -0.2951 C.3 1 UNL1111111111 0.1485 11 C 3.0163 1.8342 -0.0223 C.3 1 UNL1111111111 -0.3449 12 C 1.3806 -1.5410 0.2813 C.3 1 UNL1111111111 0.3203 13 C 0.9339 1.0822 1.1660 C.2 1 UNL1111111111 -0.2543 14 C 4.4345 -1.5980 -0.8007 C.3 1 UNL1111111111 -0.4445 15 C 0.6411 0.0044 1.9084 C.2 1 UNL1111111111 0.1452 16 C 0.4159 2.4244 1.5534 C.3 1 UNL1111111111 0.0059 17 C -0.5505 -2.8003 -0.3490 C.2 1 UNL1111111111 0.6364 18 C -1.8858 -2.6225 -0.9987 C.3 1 UNL1111111111 -0.3698 19 C -2.9869 -2.6533 0.0827 C.3 1 UNL1111111111 -0.0382 20 C -1.8802 2.1008 1.0362 C.2 1 UNL1111111111 0.6212 21 C -2.9403 2.4524 0.0370 C.3 1 UNL1111111111 -0.3700 22 C -2.4055 2.4085 -1.4075 C.3 1 UNL1111111111 -0.0353 23 C -2.8184 -1.4935 1.0634 C.3 1 UNL1111111111 -0.4627 24 C -4.3600 -2.5818 -0.5939 C.3 1 UNL1111111111 -0.4538 25 C -1.9607 0.9911 -1.7744 C.3 1 UNL1111111111 -0.4674 26 C -3.4997 2.8862 -2.3685 C.3 1 UNL1111111111 -0.4578 27 H 2.0911 -0.6118 -1.5329 H 1 UNL1111111111 0.1756 28 H 1.0776 1.3606 -0.9373 H 1 UNL1111111111 0.1519 29 H 3.7476 -0.7401 1.0704 H 1 UNL1111111111 0.1475 30 H 5.0990 1.1308 0.3007 H 1 UNL1111111111 0.1132 31 H 2.9858 2.6582 -0.7517 H 1 UNL1111111111 0.1434 32 H 3.1263 2.3023 0.9701 H 1 UNL1111111111 0.1502 33 H 1.8817 -2.5332 0.3667 H 1 UNL1111111111 0.1654 34 H 4.0461 -2.6038 -0.6110 H 1 UNL1111111111 0.1426 35 H 5.4984 -1.5914 -0.5346 H 1 UNL1111111111 0.1499 36 H 4.3853 -1.4167 -1.8849 H 1 UNL1111111111 0.1673 37 H 0.0801 -0.0295 2.8410 H 1 UNL1111111111 0.1764 38 H 1.1024 3.2542 1.2941 H 1 UNL1111111111 0.1439 39 H 0.1419 2.4944 2.6237 H 1 UNL1111111111 0.1411 40 H 4.6651 1.8379 -1.9753 H 1 UNL1111111111 0.3103 41 H -1.9331 -1.6725 -1.5702 H 1 UNL1111111111 0.1782 42 H -2.0469 -3.4374 -1.7346 H 1 UNL1111111111 0.1732 43 H -2.9059 -3.6184 0.6442 H 1 UNL1111111111 0.1458 44 H -3.3357 3.4643 0.2666 H 1 UNL1111111111 0.1739 45 H -3.7981 1.7562 0.1543 H 1 UNL1111111111 0.1773 46 H -1.5263 3.0963 -1.4868 H 1 UNL1111111111 0.1480 47 H -1.8312 -1.4997 1.5456 H 1 UNL1111111111 0.1599 48 H -3.5638 -1.5310 1.8654 H 1 UNL1111111111 0.1519 49 H -2.9185 -0.5177 0.5748 H 1 UNL1111111111 0.1522 50 H -5.1639 -2.6100 0.1512 H 1 UNL1111111111 0.1488 51 H -4.5184 -3.4220 -1.2777 H 1 UNL1111111111 0.1413 52 H -4.4808 -1.6560 -1.1663 H 1 UNL1111111111 0.1428 53 H -2.7982 0.2856 -1.7410 H 1 UNL1111111111 0.1454 54 H -1.5360 0.9564 -2.7836 H 1 UNL1111111111 0.1490 55 H -1.1853 0.6214 -1.0863 H 1 UNL1111111111 0.1648 56 H -4.3898 2.2500 -2.3180 H 1 UNL1111111111 0.1457 57 H -3.8107 3.9127 -2.1481 H 1 UNL1111111111 0.1417 58 H -3.1457 2.8692 -3.4057 H 1 UNL1111111111 0.1473 @BOND 1 1 12 1 2 1 15 1 3 2 10 1 4 2 40 1 5 3 12 1 6 3 17 1 7 4 16 1 8 4 20 1 9 5 17 2 10 6 20 2 11 7 8 1 12 7 9 1 13 7 12 1 14 7 27 1 15 8 11 1 16 8 13 1 17 8 28 1 18 9 10 1 19 9 14 1 20 9 29 1 21 10 11 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 33 1 26 13 15 2 27 13 16 1 28 14 34 1 29 14 35 1 30 14 36 1 31 15 37 1 32 16 38 1 33 16 39 1 34 17 18 1 35 18 19 1 36 18 41 1 37 18 42 1 38 19 23 1 39 19 24 1 40 19 43 1 41 20 21 1 42 21 22 1 43 21 44 1 44 21 45 1 45 22 25 1 46 22 26 1 47 22 46 1 48 23 47 1 49 23 48 1 50 23 49 1 51 24 50 1 52 24 51 1 53 24 52 1 54 25 53 1 55 25 54 1 56 25 55 1 57 26 56 1 58 26 57 1 59 26 58 1