@MOLECULE 5-hydroxy-4-{(2r,6s)-6-hydroxy-5-[(3e)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-hexen-1-yl]-3,6-dihydro-2h-pyran-2-yl}-2(5h)-furanone 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.5234 0.8291 0.5235 O.3 1 UNL1111111111 -0.4549 2 O 5.7409 -0.9971 0.0162 O.3 1 UNL1111111111 -0.5589 3 O 1.1240 2.8024 -0.9198 O.3 1 UNL1111111111 -0.4628 4 O 2.7181 1.3194 -1.6149 O.3 1 UNL1111111111 -0.5309 5 O -0.8571 2.9098 0.1205 O.2 1 UNL1111111111 -0.4079 6 C -4.5700 -0.8193 0.8531 C.3 1 UNL1111111111 0.1125 7 C -5.3702 0.4219 1.3175 C.3 1 UNL1111111111 -0.2920 8 C -3.6232 -0.4811 -0.2767 C.2 1 UNL1111111111 -0.1018 9 C -5.8912 1.2225 0.1242 C.3 1 UNL1111111111 -0.2633 10 C -3.6977 0.6660 -0.9717 C.2 1 UNL1111111111 0.0271 11 C -4.6996 1.7453 -0.6818 C.3 1 UNL1111111111 -0.2821 12 C -2.6016 -1.5294 -0.6174 C.3 1 UNL1111111111 -0.2534 13 C -3.7953 -1.3386 2.0826 C.3 1 UNL1111111111 -0.4644 14 C -5.5482 -1.9099 0.3757 C.3 1 UNL1111111111 -0.4598 15 C -1.2376 -1.1803 0.0087 C.3 1 UNL1111111111 -0.2956 16 C -2.7589 1.0396 -2.0742 C.3 1 UNL1111111111 -0.4630 17 C -0.1349 -2.0064 -0.5849 C.2 1 UNL1111111111 0.0605 18 C 0.9113 -1.4092 -1.1705 C.2 1 UNL1111111111 -0.2404 19 C 3.5180 1.1296 1.4576 C.3 1 UNL1111111111 0.1365 20 C 2.1003 -2.0947 -1.7569 C.3 1 UNL1111111111 -0.2545 21 C 3.1233 -2.4926 -0.6719 C.3 1 UNL1111111111 -0.2730 22 C 3.4174 -1.3688 0.2635 C.2 1 UNL1111111111 -0.0955 23 C 3.1580 -0.0792 2.3344 C.3 1 UNL1111111111 -0.3275 24 C -0.2929 -3.4842 -0.4712 C.3 1 UNL1111111111 -0.4520 25 C 4.4846 -0.4030 -0.1807 C.3 1 UNL1111111111 0.3620 26 C 2.8237 -1.2345 1.4534 C.2 1 UNL1111111111 -0.1579 27 C 2.3289 1.6992 0.7640 C.2 1 UNL1111111111 -0.0703 28 C 2.4391 2.2686 -0.6572 C.3 1 UNL1111111111 0.3584 29 C 1.0785 1.8745 1.2089 C.2 1 UNL1111111111 -0.3017 30 C 0.2834 2.5596 0.1569 C.2 1 UNL1111111111 0.5913 31 H -6.2043 0.1093 1.9688 H 1 UNL1111111111 0.1320 32 H -4.7210 1.0688 1.9381 H 1 UNL1111111111 0.1423 33 H -6.5360 0.5899 -0.5136 H 1 UNL1111111111 0.1382 34 H -6.5245 2.0604 0.4660 H 1 UNL1111111111 0.1303 35 H -5.0568 2.2125 -1.6206 H 1 UNL1111111111 0.1424 36 H -4.1875 2.5583 -0.1205 H 1 UNL1111111111 0.1575 37 H -2.9262 -2.5304 -0.2777 H 1 UNL1111111111 0.1385 38 H -2.4968 -1.6247 -1.7181 H 1 UNL1111111111 0.1462 39 H -3.3101 -2.2979 1.8812 H 1 UNL1111111111 0.1425 40 H -3.0206 -0.6256 2.3847 H 1 UNL1111111111 0.1464 41 H -4.4668 -1.4868 2.9339 H 1 UNL1111111111 0.1405 42 H -6.1033 -1.5751 -0.5075 H 1 UNL1111111111 0.1489 43 H -5.0224 -2.8302 0.1010 H 1 UNL1111111111 0.1407 44 H -6.2742 -2.1616 1.1540 H 1 UNL1111111111 0.1408 45 H -1.2735 -1.3376 1.1055 H 1 UNL1111111111 0.1506 46 H -1.0484 -0.0938 -0.1162 H 1 UNL1111111111 0.1545 47 H -2.1184 1.8811 -1.7564 H 1 UNL1111111111 0.1730 48 H -2.0880 0.2281 -2.3789 H 1 UNL1111111111 0.1515 49 H -3.2976 1.3629 -2.9746 H 1 UNL1111111111 0.1524 50 H 4.0194 1.9342 2.0637 H 1 UNL1111111111 0.1617 51 H 0.9436 -0.3183 -1.2298 H 1 UNL1111111111 0.1259 52 H 2.5965 -1.4443 -2.5071 H 1 UNL1111111111 0.1436 53 H 1.7942 -3.0014 -2.3190 H 1 UNL1111111111 0.1500 54 H 4.0614 -2.8425 -1.1567 H 1 UNL1111111111 0.1610 55 H 2.7403 -3.3703 -0.1106 H 1 UNL1111111111 0.1482 56 H 4.0153 -0.3387 2.9916 H 1 UNL1111111111 0.1631 57 H 2.3251 0.1675 3.0208 H 1 UNL1111111111 0.1622 58 H 4.4835 -0.1248 -1.2605 H 1 UNL1111111111 0.1721 59 H 0.6691 -4.0119 -0.4464 H 1 UNL1111111111 0.1520 60 H -0.8413 -3.7721 0.4358 H 1 UNL1111111111 0.1530 61 H -0.8587 -3.8779 -1.3296 H 1 UNL1111111111 0.1613 62 H 2.0753 -1.9302 1.8218 H 1 UNL1111111111 0.1581 63 H 3.1706 3.0847 -0.8123 H 1 UNL1111111111 0.1753 64 H 0.6276 1.6048 2.1459 H 1 UNL1111111111 0.1908 65 H 5.9918 -1.0091 0.9606 H 1 UNL1111111111 0.3266 66 H 1.9897 0.6427 -1.6963 H 1 UNL1111111111 0.3414 @BOND 1 1 19 1 2 1 25 1 3 2 25 1 4 2 65 1 5 3 28 1 6 3 30 1 7 4 28 1 8 4 66 1 9 5 30 2 10 6 7 1 11 6 8 1 12 6 13 1 13 6 14 1 14 7 9 1 15 7 31 1 16 7 32 1 17 8 10 2 18 8 12 1 19 9 11 1 20 9 33 1 21 9 34 1 22 10 11 1 23 10 16 1 24 11 35 1 25 11 36 1 26 12 15 1 27 12 37 1 28 12 38 1 29 13 39 1 30 13 40 1 31 13 41 1 32 14 42 1 33 14 43 1 34 14 44 1 35 15 17 1 36 15 45 1 37 15 46 1 38 16 47 1 39 16 48 1 40 16 49 1 41 17 18 2 42 17 24 1 43 18 20 1 44 18 51 1 45 19 23 1 46 19 27 1 47 19 50 1 48 20 21 1 49 20 52 1 50 20 53 1 51 21 22 1 52 21 54 1 53 21 55 1 54 22 25 1 55 22 26 2 56 23 26 1 57 23 56 1 58 23 57 1 59 24 59 1 60 24 60 1 61 24 61 1 62 25 58 1 63 26 62 1 64 27 28 1 65 27 29 2 66 28 63 1 67 29 30 1 68 29 64 1