@MOLECULE 5-hydroxy-4-[(3e,7e)-1-hydroxy-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-2(5h)-furanone 68 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6780 2.2041 0.6172 O.3 1 UNL1111111111 -0.5635 2 O -0.6777 4.4452 -1.0205 O.3 1 UNL1111111111 -0.4883 3 O -5.4466 -2.7162 0.9957 O.3 1 UNL1111111111 -0.5409 4 O -1.6488 2.5410 -1.8624 O.3 1 UNL1111111111 -0.5627 5 O 1.2413 4.9399 0.0378 O.2 1 UNL1111111111 -0.4057 6 C 3.0449 0.3192 0.2833 C.3 1 UNL1111111111 0.1101 7 C 4.4220 0.9076 -0.1084 C.3 1 UNL1111111111 -0.2903 8 C 3.0440 -1.1934 0.2309 C.2 1 UNL1111111111 -0.0788 9 C 5.5678 0.1436 0.5545 C.3 1 UNL1111111111 -0.2653 10 C 5.5440 -1.3098 0.0737 C.3 1 UNL1111111111 -0.2794 11 C 4.1735 -1.9163 0.1612 C.2 1 UNL1111111111 -0.0052 12 C 1.6944 -1.8513 0.3172 C.3 1 UNL1111111111 -0.2645 13 C 2.0123 0.9077 -0.6964 C.3 1 UNL1111111111 -0.4616 14 C 2.6978 0.7526 1.7226 C.3 1 UNL1111111111 -0.4582 15 C 1.2203 -2.3196 -1.0716 C.3 1 UNL1111111111 -0.2870 16 C 4.2104 -3.4125 0.1469 C.3 1 UNL1111111111 -0.4563 17 C -0.1407 -2.9490 -0.9852 C.2 1 UNL1111111111 0.0247 18 C -1.2059 -2.3385 -1.5201 C.2 1 UNL1111111111 -0.2156 19 C -0.1826 -4.2606 -0.2746 C.3 1 UNL1111111111 -0.4502 20 C -2.6025 -2.8661 -1.5350 C.3 1 UNL1111111111 -0.2543 21 C -3.6021 -1.8566 -0.9404 C.3 1 UNL1111111111 -0.2816 22 C -3.4172 -1.6784 0.5307 C.2 1 UNL1111111111 0.0201 23 C -2.0429 0.4179 0.4046 C.3 1 UNL1111111111 -0.3225 24 C -2.3834 1.7884 1.0196 C.3 1 UNL1111111111 0.1584 25 C -2.7550 -0.6751 1.1204 C.2 1 UNL1111111111 -0.2218 26 C -1.4596 2.8159 0.4756 C.2 1 UNL1111111111 0.0019 27 C -4.0756 -2.7377 1.3776 C.3 1 UNL1111111111 -0.0241 28 C -1.7505 3.5065 -0.8581 C.3 1 UNL1111111111 0.3652 29 C -0.3005 3.2761 0.9608 C.2 1 UNL1111111111 -0.3163 30 C 0.2412 4.2919 0.0250 C.2 1 UNL1111111111 0.6057 31 H 4.4629 1.9784 0.1632 H 1 UNL1111111111 0.1411 32 H 4.5406 0.8688 -1.2078 H 1 UNL1111111111 0.1418 33 H 5.4777 0.1866 1.6563 H 1 UNL1111111111 0.1382 34 H 6.5375 0.6152 0.3126 H 1 UNL1111111111 0.1324 35 H 6.2727 -1.9104 0.6534 H 1 UNL1111111111 0.1405 36 H 5.8891 -1.3601 -0.9819 H 1 UNL1111111111 0.1474 37 H 0.9408 -1.1667 0.7517 H 1 UNL1111111111 0.1435 38 H 1.7298 -2.7104 1.0173 H 1 UNL1111111111 0.1414 39 H 2.0461 2.0020 -0.6871 H 1 UNL1111111111 0.1483 40 H 0.9891 0.6066 -0.4481 H 1 UNL1111111111 0.1439 41 H 2.2124 0.5781 -1.7219 H 1 UNL1111111111 0.1472 42 H 2.7331 1.8419 1.8246 H 1 UNL1111111111 0.1465 43 H 3.4104 0.3254 2.4345 H 1 UNL1111111111 0.1452 44 H 1.7001 0.4138 2.0161 H 1 UNL1111111111 0.1392 45 H 1.9489 -3.0347 -1.5027 H 1 UNL1111111111 0.1506 46 H 1.2239 -1.4607 -1.7729 H 1 UNL1111111111 0.1514 47 H 4.8534 -3.7863 -0.6618 H 1 UNL1111111111 0.1521 48 H 3.2256 -3.8739 0.0057 H 1 UNL1111111111 0.1533 49 H 4.6110 -3.8004 1.0940 H 1 UNL1111111111 0.1532 50 H -1.1018 -1.3697 -2.0097 H 1 UNL1111111111 0.1489 51 H 0.7131 -4.8639 -0.4756 H 1 UNL1111111111 0.1519 52 H -1.0485 -4.8719 -0.5582 H 1 UNL1111111111 0.1485 53 H -0.2328 -4.1081 0.8134 H 1 UNL1111111111 0.1543 54 H -2.8953 -3.0846 -2.5858 H 1 UNL1111111111 0.1455 55 H -2.6873 -3.8345 -1.0031 H 1 UNL1111111111 0.1393 56 H -3.5213 -0.8883 -1.4754 H 1 UNL1111111111 0.1520 57 H -4.6403 -2.2114 -1.1395 H 1 UNL1111111111 0.1680 58 H -2.2909 0.4444 -0.6826 H 1 UNL1111111111 0.1872 59 H -0.9462 0.2362 0.4248 H 1 UNL1111111111 0.1717 60 H -2.3750 1.7683 2.1360 H 1 UNL1111111111 0.1375 61 H -2.6807 -0.6207 2.2072 H 1 UNL1111111111 0.1455 62 H -3.6543 -3.7387 1.1667 H 1 UNL1111111111 0.1235 63 H -4.0093 -2.5293 2.4604 H 1 UNL1111111111 0.1177 64 H -2.7032 4.0580 -0.9471 H 1 UNL1111111111 0.1669 65 H 0.2265 3.0183 1.8618 H 1 UNL1111111111 0.1935 66 H -4.3095 1.4506 0.6696 H 1 UNL1111111111 0.3383 67 H -5.9467 -3.3864 1.4987 H 1 UNL1111111111 0.3093 68 H -1.0875 2.8633 -2.6058 H 1 UNL1111111111 0.3509 @BOND 1 1 24 1 2 1 66 1 3 2 28 1 4 2 30 1 5 3 27 1 6 3 67 1 7 4 28 1 8 4 68 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 11 2 18 8 12 1 19 9 10 1 20 9 33 1 21 9 34 1 22 10 11 1 23 10 35 1 24 10 36 1 25 11 16 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 19 1 43 18 20 1 44 18 50 1 45 19 51 1 46 19 52 1 47 19 53 1 48 20 21 1 49 20 54 1 50 20 55 1 51 21 22 1 52 21 56 1 53 21 57 1 54 22 25 2 55 22 27 1 56 23 24 1 57 23 25 1 58 23 58 1 59 23 59 1 60 24 26 1 61 24 60 1 62 25 61 1 63 26 28 1 64 26 29 2 65 27 62 1 66 27 63 1 67 28 64 1 68 29 30 1 69 29 65 1