@MOLECULE (4r,6s)-6-{2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-4-hydroxytetrahydro-2h-pyran-2-one 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 F 2.1741 3.9365 -0.6416 F 1 UNL111111111 -0.1745 2 O 2.5882 -2.4663 -0.4092 O.3 1 UNL111111111 -0.4166 3 O 4.8220 0.7697 0.4863 O.3 1 UNL111111111 -0.5695 4 O 4.4381 -3.1891 -1.2856 O.2 1 UNL111111111 -0.4559 5 C -4.5348 0.0348 -0.1906 C.3 1 UNL111111111 0.1200 6 C -2.8839 -1.9282 0.2903 C.3 1 UNL111111111 0.1130 7 C -4.2497 -1.4773 -0.2844 C.3 1 UNL111111111 -0.3227 8 C -3.3808 0.8017 -0.8709 C.3 1 UNL111111111 -0.2968 9 C -1.8373 -0.8488 0.1928 C.2 1 UNL111111111 -0.0459 10 C -2.0575 0.3637 -0.3403 C.2 1 UNL111111111 -0.0461 11 C -5.8446 0.3329 -0.9437 C.3 1 UNL111111111 -0.4723 12 C -4.6880 0.5010 1.2628 C.3 1 UNL111111111 -0.4636 13 C -2.3958 -3.1419 -0.5281 C.3 1 UNL111111111 -0.4609 14 C -3.0439 -2.3581 1.7601 C.3 1 UNL111111111 -0.4616 15 C -0.5059 -1.1594 0.7317 C.2 1 UNL111111111 -0.1501 16 C -0.9737 1.3544 -0.4353 C.ar 1 UNL111111111 -0.0070 17 C 0.5304 -1.4579 -0.0550 C.2 1 UNL111111111 -0.1836 18 C 1.9249 -1.5655 0.4770 C.3 1 UNL111111111 0.1398 19 C -0.5561 2.0298 0.7151 C.ar 1 UNL111111111 -0.1659 20 C -0.3412 1.5804 -1.6599 C.ar 1 UNL111111111 -0.1384 21 C 2.5961 -0.1911 0.4203 C.3 1 UNL111111111 -0.4100 22 C 4.0225 -0.3041 0.9518 C.3 1 UNL111111111 0.1896 23 C 0.5179 2.9175 0.6654 C.ar 1 UNL111111111 -0.0245 24 C 0.7312 2.4653 -1.7374 C.ar 1 UNL111111111 -0.1941 25 C 4.7396 -1.5591 0.4391 C.3 1 UNL111111111 -0.4261 26 C 1.1411 3.1087 -0.5729 C.ar 1 UNL111111111 0.1347 27 C 3.9487 -2.4393 -0.4812 C.2 1 UNL111111111 0.6100 28 C 0.9826 3.6328 1.8830 C.3 1 UNL111111111 -0.4400 29 H -4.3035 -1.7699 -1.3524 H 1 UNL111111111 0.1458 30 H -5.0609 -2.0376 0.2140 H 1 UNL111111111 0.1425 31 H -3.4102 0.6371 -1.9687 H 1 UNL111111111 0.1556 32 H -3.5201 1.8925 -0.7309 H 1 UNL111111111 0.1539 33 H -5.7933 0.0132 -1.9893 H 1 UNL111111111 0.1444 34 H -6.0716 1.4041 -0.9369 H 1 UNL111111111 0.1474 35 H -6.6920 -0.1843 -0.4820 H 1 UNL111111111 0.1461 36 H -5.0132 1.5454 1.3144 H 1 UNL111111111 0.1446 37 H -3.7370 0.4305 1.8032 H 1 UNL111111111 0.1502 38 H -5.4249 -0.1034 1.8006 H 1 UNL111111111 0.1435 39 H -3.1363 -3.9468 -0.5250 H 1 UNL111111111 0.1449 40 H -2.1984 -2.8655 -1.5697 H 1 UNL111111111 0.1499 41 H -1.4625 -3.5486 -0.1201 H 1 UNL111111111 0.1565 42 H -3.8100 -3.1336 1.8631 H 1 UNL111111111 0.1457 43 H -2.1109 -2.7686 2.1609 H 1 UNL111111111 0.1477 44 H -3.3381 -1.5161 2.3940 H 1 UNL111111111 0.1470 45 H -0.4216 -1.0705 1.8153 H 1 UNL111111111 0.1529 46 H 0.4374 -1.5907 -1.1340 H 1 UNL111111111 0.1789 47 H 1.9757 -2.0230 1.4905 H 1 UNL111111111 0.1353 48 H -1.0736 1.8512 1.6566 H 1 UNL111111111 0.1622 49 H -0.6807 1.0532 -2.5510 H 1 UNL111111111 0.1655 50 H 2.6067 0.1771 -0.6295 H 1 UNL111111111 0.1852 51 H 2.0072 0.5568 0.9839 H 1 UNL111111111 0.1684 52 H 4.0500 -0.2516 2.0650 H 1 UNL111111111 0.1215 53 H 5.1145 -2.1724 1.2846 H 1 UNL111111111 0.1800 54 H 5.6704 -1.2335 -0.0992 H 1 UNL111111111 0.2171 55 H 1.2349 2.6451 -2.6864 H 1 UNL111111111 0.1757 56 H 0.4142 3.3540 2.7809 H 1 UNL111111111 0.1561 57 H 0.8806 4.7248 1.7693 H 1 UNL111111111 0.1685 58 H 2.0432 3.4352 2.0987 H 1 UNL111111111 0.1606 59 H 4.3171 1.6020 0.4236 H 1 UNL111111111 0.3255 @BOND 1 1 26 1 2 2 18 1 3 2 27 1 4 3 22 1 5 3 59 1 6 4 27 2 7 5 7 1 8 5 8 1 9 5 11 1 10 5 12 1 11 6 7 1 12 6 9 1 13 6 13 1 14 6 14 1 15 7 29 1 16 7 30 1 17 8 10 1 18 8 31 1 19 8 32 1 20 9 10 2 21 9 15 1 22 10 16 1 23 11 33 1 24 11 34 1 25 11 35 1 26 12 36 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 2 36 15 45 1 37 16 19 ar 38 16 20 ar 39 17 18 1 40 17 46 1 41 18 21 1 42 18 47 1 43 19 23 ar 44 19 48 1 45 20 24 ar 46 20 49 1 47 21 22 1 48 21 50 1 49 21 51 1 50 22 25 1 51 22 52 1 52 23 26 ar 53 23 28 1 54 24 26 ar 55 24 55 1 56 25 27 1 57 25 53 1 58 25 54 1 59 28 56 1 60 28 57 1 61 28 58 1