@MOLECULE methyl 6-hydroxy-2-[(1e,3e)-7-hydroxy-3-methyl-1,3-octadien-1-yl]-1,3-dimethyl-4-oxo-2-cyclohexene-1-carboxylate 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9568 -0.8186 2.4903 O.3 1 UNL1111111111 -0.5353 2 O 3.8617 2.3577 0.2801 O.3 1 UNL1111111111 -0.4102 3 O 3.8583 -3.2496 -0.3448 O.2 1 UNL1111111111 -0.4335 4 O 2.8144 1.6526 -1.5776 O.2 1 UNL1111111111 -0.4887 5 O -7.4727 -0.6493 -0.5637 O.3 1 UNL1111111111 -0.5623 6 C 2.3980 0.5371 0.5626 C.3 1 UNL1111111111 -0.0852 7 C 3.5215 -0.1460 1.3961 C.3 1 UNL1111111111 0.1728 8 C 1.6286 -0.4687 -0.2585 C.2 1 UNL1111111111 0.0209 9 C 4.3393 -1.1135 0.5425 C.3 1 UNL1111111111 -0.4608 10 C 1.4861 1.3088 1.5202 C.3 1 UNL1111111111 -0.4319 11 C 2.1102 -1.6840 -0.5699 C.2 1 UNL1111111111 -0.1298 12 C 3.4609 -2.1277 -0.1454 C.2 1 UNL1111111111 0.4665 13 C 3.0153 1.5412 -0.3981 C.2 1 UNL1111111111 0.5802 14 C 0.3364 0.0034 -0.7629 C.2 1 UNL1111111111 -0.1709 15 C 1.3617 -2.6655 -1.3977 C.3 1 UNL1111111111 -0.4306 16 C -0.8300 -0.2878 -0.1730 C.2 1 UNL1111111111 -0.1495 17 C -2.1346 0.1788 -0.6452 C.2 1 UNL1111111111 -0.0064 18 C -4.6441 0.0181 -0.4876 C.3 1 UNL1111111111 -0.2675 19 C -3.2500 -0.3341 -0.0968 C.2 1 UNL1111111111 -0.1736 20 C -5.5668 0.0756 0.7363 C.3 1 UNL1111111111 -0.3335 21 C 4.5094 3.3639 -0.4927 C.3 1 UNL1111111111 -0.1678 22 C -7.0102 0.3691 0.2985 C.3 1 UNL1111111111 0.1821 23 C -2.1373 1.2042 -1.7289 C.3 1 UNL1111111111 -0.4447 24 C -7.9452 0.4971 1.5011 C.3 1 UNL1111111111 -0.5082 25 H 4.1665 0.6166 1.8976 H 1 UNL1111111111 0.1665 26 H 4.9377 -0.5703 -0.2174 H 1 UNL1111111111 0.1862 27 H 5.0889 -1.6348 1.1796 H 1 UNL1111111111 0.1972 28 H 0.7044 1.8662 0.9897 H 1 UNL1111111111 0.1583 29 H 0.9861 0.6255 2.2220 H 1 UNL1111111111 0.1719 30 H 2.0571 2.0254 2.1268 H 1 UNL1111111111 0.1648 31 H 0.4193 0.6196 -1.6648 H 1 UNL1111111111 0.1815 32 H 1.6154 -2.5486 -2.4644 H 1 UNL1111111111 0.1675 33 H 1.6099 -3.7063 -1.1304 H 1 UNL1111111111 0.1735 34 H 0.2717 -2.5543 -1.3116 H 1 UNL1111111111 0.1598 35 H 2.3903 -1.5663 2.2026 H 1 UNL1111111111 0.3205 36 H -0.8528 -0.9161 0.7221 H 1 UNL1111111111 0.1507 37 H -4.6917 0.9825 -1.0341 H 1 UNL1111111111 0.1473 38 H -5.0300 -0.7369 -1.2116 H 1 UNL1111111111 0.1676 39 H -5.2181 0.8552 1.4386 H 1 UNL1111111111 0.1496 40 H -5.5247 -0.8767 1.2952 H 1 UNL1111111111 0.1432 41 H -3.1849 -1.0866 0.6904 H 1 UNL1111111111 0.1448 42 H 5.0950 3.9096 0.2558 H 1 UNL1111111111 0.1462 43 H 3.7688 4.0132 -0.9716 H 1 UNL1111111111 0.1412 44 H 5.1532 2.8983 -1.2461 H 1 UNL1111111111 0.1411 45 H -7.0673 1.2655 -0.3620 H 1 UNL1111111111 0.1392 46 H -3.1218 1.6667 -1.8813 H 1 UNL1111111111 0.1533 47 H -1.8399 0.7584 -2.6905 H 1 UNL1111111111 0.1609 48 H -1.4349 2.0227 -1.5141 H 1 UNL1111111111 0.1559 49 H -8.9886 0.5767 1.1679 H 1 UNL1111111111 0.1631 50 H -7.8819 -0.3702 2.1655 H 1 UNL1111111111 0.1490 51 H -7.7180 1.3891 2.0932 H 1 UNL1111111111 0.1541 52 H -7.4820 -1.5163 -0.1178 H 1 UNL1111111111 0.3129 @BOND 1 1 7 1 2 1 35 1 3 2 13 1 4 2 21 1 5 3 12 2 6 4 13 2 7 5 22 1 8 5 52 1 9 6 7 1 10 6 8 1 11 6 10 1 12 6 13 1 13 7 9 1 14 7 25 1 15 8 11 2 16 8 14 1 17 9 12 1 18 9 26 1 19 9 27 1 20 10 28 1 21 10 29 1 22 10 30 1 23 11 12 1 24 11 15 1 25 14 16 2 26 14 31 1 27 15 32 1 28 15 33 1 29 15 34 1 30 16 17 1 31 16 36 1 32 17 19 2 33 17 23 1 34 18 19 1 35 18 20 1 36 18 37 1 37 18 38 1 38 19 41 1 39 20 22 1 40 20 39 1 41 20 40 1 42 21 42 1 43 21 43 1 44 21 44 1 45 22 24 1 46 22 45 1 47 23 46 1 48 23 47 1 49 23 48 1 50 24 49 1 51 24 50 1 52 24 51 1