@MOLECULE (4s,4ar,5s,7r,8r,8as)-2,5,8-trihydroxy-4-(3-hydroxypropanoyl)-4,7-dimethyl-3-[(2r)-2-octanyl]-4a,5,6,7,8,8a-hexahydro-1(4h)-naphthalenone 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8194 2.3619 -0.7285 O.3 1 UNL1111111111 -0.5829 2 O 4.2279 -1.4972 1.0344 O.3 1 UNL1111111111 -0.5503 3 O 1.8924 -3.3215 0.6907 O.2 1 UNL1111111111 -0.4775 4 O -0.6165 -2.5529 1.3143 O.2 1 UNL1111111111 -0.4424 5 O 0.9182 2.0884 1.3262 O.2 1 UNL1111111111 -0.5129 6 O -1.0961 3.9662 1.3462 O.3 1 UNL1111111111 -0.5554 7 C 2.1631 0.1072 -0.2173 C.3 1 UNL1111111111 -0.1730 8 C 2.4261 -1.3617 -0.5641 C.3 1 UNL1111111111 -0.2833 9 C 0.6731 0.4872 -0.4078 C.3 1 UNL1111111111 -0.0535 10 C 3.0937 1.0155 -1.0468 C.3 1 UNL1111111111 0.1586 11 C 3.9147 -1.7152 -0.3254 C.3 1 UNL1111111111 0.1528 12 C 4.8414 -0.7816 -1.1332 C.3 1 UNL1111111111 -0.0990 13 C 4.5601 0.6802 -0.7629 C.3 1 UNL1111111111 -0.3418 14 C -0.2188 -0.4512 0.3709 C.2 1 UNL1111111111 -0.0380 15 C 1.5443 -2.2304 0.2957 C.2 1 UNL1111111111 0.4398 16 C 0.2324 0.4256 -1.8727 C.3 1 UNL1111111111 -0.4493 17 C 0.2095 -1.6968 0.6507 C.2 1 UNL1111111111 0.0551 18 C -1.5784 0.0461 0.7766 C.3 1 UNL1111111111 -0.0830 19 C 0.5401 1.9000 0.1930 C.2 1 UNL1111111111 0.5287 20 C 6.3006 -1.1353 -0.8458 C.3 1 UNL1111111111 -0.4476 21 C -2.6733 -0.8699 0.1919 C.3 1 UNL1111111111 -0.2765 22 C -0.0710 3.0043 -0.6209 C.3 1 UNL1111111111 -0.4328 23 C -1.6522 0.1121 2.3077 C.3 1 UNL1111111111 -0.4428 24 C -4.0297 -0.1574 0.1599 C.3 1 UNL1111111111 -0.2706 25 C -0.2829 4.2615 0.2351 C.3 1 UNL1111111111 0.0320 26 C -5.1050 -1.0768 -0.4326 C.3 1 UNL1111111111 -0.2743 27 C -6.4628 -0.3647 -0.4731 C.3 1 UNL1111111111 -0.2712 28 C -7.5414 -1.2825 -1.0637 C.3 1 UNL1111111111 -0.2529 29 C -8.8958 -0.5747 -1.1074 C.3 1 UNL1111111111 -0.4401 30 H 2.4189 0.2566 0.8718 H 1 UNL1111111111 0.1925 31 H 2.1794 -1.5594 -1.6373 H 1 UNL1111111111 0.1757 32 H 2.8655 0.9780 -2.1351 H 1 UNL1111111111 0.1378 33 H 4.1034 -2.7841 -0.5715 H 1 UNL1111111111 0.1305 34 H 4.6348 -0.9341 -2.2197 H 1 UNL1111111111 0.1318 35 H 5.2220 1.3629 -1.3249 H 1 UNL1111111111 0.1512 36 H 4.7958 0.8453 0.3092 H 1 UNL1111111111 0.1708 37 H -0.8425 0.6258 -1.9783 H 1 UNL1111111111 0.1585 38 H 0.4052 -0.5691 -2.3013 H 1 UNL1111111111 0.1530 39 H 0.7693 1.1510 -2.4951 H 1 UNL1111111111 0.1569 40 H -1.7510 1.0792 0.3790 H 1 UNL1111111111 0.1401 41 H 6.5166 -1.0652 0.2309 H 1 UNL1111111111 0.1687 42 H 6.5379 -2.1584 -1.1559 H 1 UNL1111111111 0.1432 43 H 6.9893 -0.4621 -1.3660 H 1 UNL1111111111 0.1423 44 H 3.0665 2.5706 0.1995 H 1 UNL1111111111 0.3376 45 H -2.7435 -1.8013 0.7884 H 1 UNL1111111111 0.1621 46 H -2.3905 -1.1913 -0.8270 H 1 UNL1111111111 0.1335 47 H 3.8211 -2.2010 1.5856 H 1 UNL1111111111 0.3273 48 H -1.0382 2.6828 -1.0562 H 1 UNL1111111111 0.1760 49 H 0.5968 3.2387 -1.4788 H 1 UNL1111111111 0.1892 50 H -0.8454 0.7354 2.7143 H 1 UNL1111111111 0.1543 51 H -2.6045 0.5371 2.6406 H 1 UNL1111111111 0.1461 52 H -1.5560 -0.8852 2.7570 H 1 UNL1111111111 0.1642 53 H -4.3191 0.1528 1.1823 H 1 UNL1111111111 0.1431 54 H -3.9608 0.7749 -0.4303 H 1 UNL1111111111 0.1323 55 H -0.1317 -3.3964 1.5370 H 1 UNL1111111111 0.3372 56 H 0.6776 4.6818 0.5847 H 1 UNL1111111111 0.1227 57 H -0.8568 5.0348 -0.3071 H 1 UNL1111111111 0.1345 58 H -4.8133 -1.3967 -1.4497 H 1 UNL1111111111 0.1327 59 H -5.1806 -2.0039 0.1661 H 1 UNL1111111111 0.1384 60 H -6.3882 0.5630 -1.0697 H 1 UNL1111111111 0.1350 61 H -6.7548 -0.0464 0.5452 H 1 UNL1111111111 0.1384 62 H -0.6209 3.3448 1.9447 H 1 UNL1111111111 0.3363 63 H -7.6187 -2.2095 -0.4644 H 1 UNL1111111111 0.1346 64 H -7.2499 -1.6035 -2.0815 H 1 UNL1111111111 0.1317 65 H -8.8552 0.3299 -1.7241 H 1 UNL1111111111 0.1416 66 H -9.6707 -1.2253 -1.5271 H 1 UNL1111111111 0.1397 67 H -9.2236 -0.2759 -0.1053 H 1 UNL1111111111 0.1433 @BOND 1 1 10 1 2 1 44 1 3 2 11 1 4 2 47 1 5 3 15 2 6 4 17 1 7 4 55 1 8 5 19 2 9 6 25 1 10 6 62 1 11 7 8 1 12 7 9 1 13 7 10 1 14 7 30 1 15 8 11 1 16 8 15 1 17 8 31 1 18 9 14 1 19 9 16 1 20 9 19 1 21 10 13 1 22 10 32 1 23 11 12 1 24 11 33 1 25 12 13 1 26 12 20 1 27 12 34 1 28 13 35 1 29 13 36 1 30 14 17 2 31 14 18 1 32 15 17 1 33 16 37 1 34 16 38 1 35 16 39 1 36 18 21 1 37 18 23 1 38 18 40 1 39 19 22 1 40 20 41 1 41 20 42 1 42 20 43 1 43 21 24 1 44 21 45 1 45 21 46 1 46 22 25 1 47 22 48 1 48 22 49 1 49 23 50 1 50 23 51 1 51 23 52 1 52 24 26 1 53 24 53 1 54 24 54 1 55 25 56 1 56 25 57 1 57 26 27 1 58 26 58 1 59 26 59 1 60 27 28 1 61 27 60 1 62 27 61 1 63 28 29 1 64 28 63 1 65 28 64 1 66 29 65 1 67 29 66 1 68 29 67 1