@MOLECULE (4s,6r)-6-{(e)-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 2.8762 -3.4509 0.8297 F 1 UNL1111111111 -0.1693 2 O 2.3803 2.0305 -1.3459 O.3 1 UNL1111111111 -0.4434 3 O 4.6462 2.2179 0.6743 O.3 1 UNL1111111111 -0.5548 4 O 3.3193 0.3129 -2.3354 O.2 1 UNL1111111111 -0.4514 5 C -4.1468 -0.6885 -0.4892 C.3 1 UNL1111111111 0.1210 6 C -3.1694 1.5825 0.3415 C.3 1 UNL1111111111 0.1126 7 C -4.4151 0.6795 0.1666 C.3 1 UNL1111111111 -0.3243 8 C -3.0482 -1.4092 0.3182 C.3 1 UNL1111111111 -0.3005 9 C -1.8861 0.7939 0.4782 C.2 1 UNL1111111111 -0.0558 10 C -1.8369 -0.5467 0.4664 C.2 1 UNL1111111111 -0.0344 11 C -5.4393 -1.5228 -0.4294 C.3 1 UNL1111111111 -0.4723 12 C -3.7183 -0.5509 -1.9557 C.3 1 UNL1111111111 -0.4625 13 C -3.3729 2.4248 1.6189 C.3 1 UNL1111111111 -0.4645 14 C -3.0432 2.5351 -0.8627 C.3 1 UNL1111111111 -0.4601 15 C -0.6683 1.6021 0.6106 C.2 1 UNL1111111111 -0.1400 16 C -0.5774 -1.2985 0.5750 C.ar 1 UNL1111111111 -0.0091 17 C 0.3001 1.5714 -0.3084 C.2 1 UNL1111111111 -0.2225 18 C 1.5422 2.4063 -0.2561 C.3 1 UNL1111111111 0.1450 19 C 0.0420 -1.7521 -0.5931 C.ar 1 UNL1111111111 -0.1722 20 C -0.0199 -1.5709 1.8251 C.ar 1 UNL1111111111 -0.1501 21 C 2.2747 2.3539 1.0919 C.3 1 UNL1111111111 -0.3979 22 C 3.5212 1.4608 1.0494 C.3 1 UNL1111111111 0.1983 23 C 1.2292 -2.4811 -0.5334 C.ar 1 UNL1111111111 -0.0047 24 C 1.1569 -2.3111 1.9144 C.ar 1 UNL1111111111 -0.2013 25 C 3.3254 0.2941 0.0763 C.3 1 UNL1111111111 -0.4596 26 C 1.7537 -2.7529 0.7367 C.ar 1 UNL1111111111 0.1308 27 C 3.0143 0.8156 -1.2884 C.2 1 UNL1111111111 0.6172 28 C 1.9179 -2.9117 -1.7760 C.3 1 UNL1111111111 -0.4466 29 H -4.8708 0.4983 1.1606 H 1 UNL1111111111 0.1429 30 H -5.1837 1.2225 -0.4128 H 1 UNL1111111111 0.1439 31 H -2.7930 -2.3717 -0.1698 H 1 UNL1111111111 0.1565 32 H -3.4301 -1.6815 1.3242 H 1 UNL1111111111 0.1544 33 H -5.7908 -1.6537 0.5986 H 1 UNL1111111111 0.1429 34 H -6.2450 -1.0447 -0.9958 H 1 UNL1111111111 0.1464 35 H -5.2876 -2.5206 -0.8548 H 1 UNL1111111111 0.1485 36 H -2.7323 -0.0773 -2.0384 H 1 UNL1111111111 0.1540 37 H -3.6509 -1.5283 -2.4449 H 1 UNL1111111111 0.1457 38 H -4.4294 0.0557 -2.5241 H 1 UNL1111111111 0.1440 39 H -4.3498 2.9195 1.6119 H 1 UNL1111111111 0.1464 40 H -3.3188 1.8000 2.5163 H 1 UNL1111111111 0.1468 41 H -2.6154 3.2093 1.7107 H 1 UNL1111111111 0.1460 42 H -2.1850 3.2077 -0.7555 H 1 UNL1111111111 0.1496 43 H -2.9069 1.9807 -1.7977 H 1 UNL1111111111 0.1539 44 H -3.9371 3.1566 -0.9721 H 1 UNL1111111111 0.1434 45 H -0.6228 2.2324 1.4993 H 1 UNL1111111111 0.1533 46 H 0.2225 0.9413 -1.1989 H 1 UNL1111111111 0.1760 47 H 1.3113 3.4645 -0.5490 H 1 UNL1111111111 0.1578 48 H -0.4113 -1.5301 -1.5598 H 1 UNL1111111111 0.1684 49 H -0.5080 -1.2092 2.7278 H 1 UNL1111111111 0.1597 50 H 2.5819 3.3743 1.4003 H 1 UNL1111111111 0.1697 51 H 1.5924 2.0010 1.8892 H 1 UNL1111111111 0.1661 52 H 3.8082 1.1015 2.0656 H 1 UNL1111111111 0.1481 53 H 2.5105 -0.3764 0.4283 H 1 UNL1111111111 0.1996 54 H 4.2389 -0.3403 0.0420 H 1 UNL1111111111 0.1996 55 H 1.5929 -2.5414 2.8850 H 1 UNL1111111111 0.1699 56 H 1.2543 -2.9030 -2.6526 H 1 UNL1111111111 0.1616 57 H 2.7593 -2.2337 -2.0161 H 1 UNL1111111111 0.1835 58 H 2.3354 -3.9262 -1.7050 H 1 UNL1111111111 0.1653 59 H 4.5183 2.6240 -0.2100 H 1 UNL1111111111 0.3285 @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