@MOLECULE (4r,6r)-6-{2-[(1s,2s,4ar,6r,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-4-hydroxytetrahydro-2h-pyran-2-one 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8548 0.2725 -0.8160 O.3 1 UNL1111111111111 -0.4124 2 O 5.3856 -1.5499 1.6501 O.3 1 UNL1111111111111 -0.5669 3 O 4.2578 0.4778 -2.4805 O.2 1 UNL1111111111111 -0.4551 4 C -2.3891 -0.0544 -0.2477 C.3 1 UNL1111111111111 -0.1165 5 C -1.1953 0.5076 0.5563 C.3 1 UNL1111111111111 -0.1298 6 C -3.6931 0.3917 0.4556 C.3 1 UNL1111111111111 -0.1175 7 C -2.3920 -1.5862 -0.3554 C.3 1 UNL1111111111111 -0.2814 8 C -4.9080 -0.0403 -0.3811 C.3 1 UNL1111111111111 -0.2911 9 C -1.2118 2.0567 0.4613 C.3 1 UNL1111111111111 -0.0958 10 C -4.9440 -1.5667 -0.5769 C.3 1 UNL1111111111111 -0.0735 11 C -3.6086 -2.0629 -1.1604 C.3 1 UNL1111111111111 -0.2794 12 C 0.1440 -0.0880 0.0955 C.3 1 UNL1111111111111 -0.2769 13 C -3.7007 1.8694 0.6904 C.2 1 UNL1111111111111 -0.1814 14 C -2.5861 2.6046 0.7180 C.2 1 UNL1111111111111 -0.1790 15 C 1.3193 0.4322 0.9317 C.3 1 UNL1111111111111 -0.3022 16 C -0.7425 2.5855 -0.9022 C.3 1 UNL1111111111111 -0.4447 17 C -5.2838 -2.2914 0.7302 C.3 1 UNL1111111111111 -0.4523 18 C 2.6237 -0.2446 0.5021 C.3 1 UNL1111111111111 0.1383 19 C 3.7978 0.1378 1.4030 C.3 1 UNL1111111111111 -0.3727 20 C 5.1204 -0.4079 0.8533 C.3 1 UNL1111111111111 0.1872 21 C 5.0246 -0.8386 -0.6190 C.3 1 UNL1111111111111 -0.4631 22 C 4.0588 0.0146 -1.3885 C.2 1 UNL1111111111111 0.6048 23 H -2.3632 0.3758 -1.2764 H 1 UNL1111111111111 0.1456 24 H -1.3420 0.2355 1.6304 H 1 UNL1111111111111 0.1324 25 H -3.7507 -0.1123 1.4558 H 1 UNL1111111111111 0.1456 26 H -2.3928 -2.0412 0.6507 H 1 UNL1111111111111 0.1360 27 H -1.4699 -1.9401 -0.8542 H 1 UNL1111111111111 0.1354 28 H -5.8421 0.2982 0.1019 H 1 UNL1111111111111 0.1353 29 H -4.8752 0.4602 -1.3671 H 1 UNL1111111111111 0.1405 30 H -0.5209 2.4505 1.2498 H 1 UNL1111111111111 0.1330 31 H -5.7508 -1.7985 -1.3170 H 1 UNL1111111111111 0.1243 32 H -3.5166 -1.7092 -2.2055 H 1 UNL1111111111111 0.1362 33 H -3.6114 -3.1671 -1.2118 H 1 UNL1111111111111 0.1330 34 H 0.1047 -1.1921 0.1695 H 1 UNL1111111111111 0.1373 35 H 0.3156 0.1340 -0.9771 H 1 UNL1111111111111 0.1615 36 H -4.6801 2.3079 0.8632 H 1 UNL1111111111111 0.1417 37 H -2.6149 3.6753 0.9097 H 1 UNL1111111111111 0.1405 38 H 1.4154 1.5307 0.8108 H 1 UNL1111111111111 0.1619 39 H 1.1381 0.2506 2.0071 H 1 UNL1111111111111 0.1484 40 H -1.3552 2.1859 -1.7181 H 1 UNL1111111111111 0.1498 41 H -0.8085 3.6778 -0.9471 H 1 UNL1111111111111 0.1422 42 H 0.2992 2.3110 -1.1074 H 1 UNL1111111111111 0.1551 43 H -4.5075 -2.1421 1.4885 H 1 UNL1111111111111 0.1462 44 H -6.2280 -1.9301 1.1509 H 1 UNL1111111111111 0.1406 45 H -5.3820 -3.3701 0.5709 H 1 UNL1111111111111 0.1396 46 H 2.5138 -1.3482 0.4138 H 1 UNL1111111111111 0.1353 47 H 3.6377 -0.2624 2.4284 H 1 UNL1111111111111 0.1840 48 H 3.8556 1.2375 1.5133 H 1 UNL1111111111111 0.1642 49 H 5.9501 0.3190 1.0048 H 1 UNL1111111111111 0.1210 50 H 4.6970 -1.9017 -0.6758 H 1 UNL1111111111111 0.1949 51 H 6.0197 -0.8125 -1.1077 H 1 UNL1111111111111 0.1818 52 H 6.2528 -1.9417 1.4361 H 1 UNL1111111111111 0.3179 @BOND 1 1 18 1 2 1 22 1 3 2 20 1 4 2 52 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 23 1 10 5 9 1 11 5 12 1 12 5 24 1 13 6 8 1 14 6 13 1 15 6 25 1 16 7 11 1 17 7 26 1 18 7 27 1 19 8 10 1 20 8 28 1 21 8 29 1 22 9 14 1 23 9 16 1 24 9 30 1 25 10 11 1 26 10 17 1 27 10 31 1 28 11 32 1 29 11 33 1 30 12 15 1 31 12 34 1 32 12 35 1 33 13 14 2 34 13 36 1 35 14 37 1 36 15 18 1 37 15 38 1 38 15 39 1 39 16 40 1 40 16 41 1 41 16 42 1 42 17 43 1 43 17 44 1 44 17 45 1 45 18 19 1 46 18 46 1 47 19 20 1 48 19 47 1 49 19 48 1 50 20 21 1 51 20 49 1 52 21 22 1 53 21 50 1 54 21 51 1