@MOLECULE (all-e)-2-(3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenylidene)-5,5- dimethyl-1,3-cyclohexanedione 68 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.8870 2.1509 0.2721 O.2 1 UNL1111111111 -0.4987 2 O -4.5705 -1.7884 -0.7380 O.2 1 UNL1111111111 -0.4875 3 C 7.4851 0.4018 -0.0895 C.3 1 UNL1111111111 0.1190 4 C 8.8174 -0.3824 -0.0971 C.3 1 UNL1111111111 -0.2911 5 C 8.6430 -1.7600 -0.7400 C.3 1 UNL1111111111 -0.2617 6 C 6.3384 -0.4820 0.3468 C.2 1 UNL1111111111 -0.1186 7 C 7.6521 -2.5911 0.0828 C.3 1 UNL1111111111 -0.2823 8 C 6.4100 -1.8206 0.4104 C.2 1 UNL1111111111 0.0287 9 C 7.1855 0.9373 -1.5018 C.3 1 UNL1111111111 -0.4600 10 C 7.6345 1.5900 0.8803 C.3 1 UNL1111111111 -0.4650 11 C -7.9694 -1.3044 0.2944 C.3 1 UNL1111111111 0.1411 12 C -8.1524 0.1911 -0.0049 C.3 1 UNL1111111111 -0.4095 13 C -6.9127 -1.8681 -0.6668 C.3 1 UNL1111111111 -0.4127 14 C 5.1044 0.2310 0.6968 C.2 1 UNL1111111111 -0.1028 15 C 5.2530 -2.6697 0.8255 C.3 1 UNL1111111111 -0.4573 16 C -7.5285 -1.5065 1.7501 C.3 1 UNL1111111111 -0.4705 17 C -9.3027 -2.0325 0.0633 C.3 1 UNL1111111111 -0.4684 18 C -6.8604 0.9636 0.0241 C.2 1 UNL1111111111 0.5058 19 C -5.5861 -1.1526 -0.5600 C.2 1 UNL1111111111 0.5143 20 C -5.5830 0.2860 -0.2709 C.2 1 UNL1111111111 -0.3770 21 C 4.1270 0.4615 -0.1889 C.2 1 UNL1111111111 -0.2148 22 C -4.4634 1.0557 -0.2510 C.2 1 UNL1111111111 0.0991 23 C 2.8840 1.1572 0.1459 C.2 1 UNL1111111111 0.0840 24 C -3.1166 0.6218 -0.5025 C.2 1 UNL1111111111 -0.3080 25 C 2.9989 2.3658 1.0133 C.3 1 UNL1111111111 -0.4590 26 C 1.7129 0.6900 -0.3328 C.2 1 UNL1111111111 -0.2505 27 C -2.0281 1.4201 -0.3945 C.2 1 UNL1111111111 0.1457 28 C 0.4208 1.2864 -0.0586 C.2 1 UNL1111111111 -0.0833 29 C -0.7056 0.8590 -0.6573 C.2 1 UNL1111111111 -0.2286 30 C -2.0913 2.8589 -0.0085 C.3 1 UNL1111111111 -0.4755 31 H 9.1843 -0.5016 0.9402 H 1 UNL1111111111 0.1414 32 H 9.5921 0.1965 -0.6300 H 1 UNL1111111111 0.1369 33 H 9.6156 -2.2795 -0.8082 H 1 UNL1111111111 0.1320 34 H 8.2789 -1.6542 -1.7792 H 1 UNL1111111111 0.1410 35 H 8.1305 -2.9216 1.0293 H 1 UNL1111111111 0.1493 36 H 7.3977 -3.5209 -0.4648 H 1 UNL1111111111 0.1453 37 H 7.0499 0.1172 -2.2147 H 1 UNL1111111111 0.1479 38 H 6.2671 1.5351 -1.5126 H 1 UNL1111111111 0.1500 39 H 7.9988 1.5710 -1.8673 H 1 UNL1111111111 0.1440 40 H 6.7638 2.2528 0.8379 H 1 UNL1111111111 0.1470 41 H 7.7410 1.2457 1.9140 H 1 UNL1111111111 0.1464 42 H 8.5152 2.1913 0.6334 H 1 UNL1111111111 0.1458 43 H -8.8681 0.6452 0.7126 H 1 UNL1111111111 0.1782 44 H -8.6218 0.3350 -1.0010 H 1 UNL1111111111 0.1736 45 H -7.2635 -1.8030 -1.7169 H 1 UNL1111111111 0.1708 46 H -6.7607 -2.9520 -0.4813 H 1 UNL1111111111 0.1771 47 H 5.0420 0.5555 1.7374 H 1 UNL1111111111 0.1524 48 H 4.7664 -3.1188 -0.0533 H 1 UNL1111111111 0.1600 49 H 4.4790 -2.1026 1.3618 H 1 UNL1111111111 0.1596 50 H 5.5634 -3.4900 1.4860 H 1 UNL1111111111 0.1528 51 H -7.3798 -2.5672 1.9800 H 1 UNL1111111111 0.1512 52 H -6.5822 -0.9937 1.9621 H 1 UNL1111111111 0.1559 53 H -8.2731 -1.1181 2.4530 H 1 UNL1111111111 0.1496 54 H -10.0869 -1.6458 0.7235 H 1 UNL1111111111 0.1490 55 H -9.6555 -1.9216 -0.9670 H 1 UNL1111111111 0.1453 56 H -9.2098 -3.1055 0.2650 H 1 UNL1111111111 0.1497 57 H 4.2079 0.1116 -1.2205 H 1 UNL1111111111 0.1638 58 H -4.5888 2.1317 -0.0188 H 1 UNL1111111111 0.1660 59 H -2.9849 -0.4328 -0.7859 H 1 UNL1111111111 0.2069 60 H 2.3919 3.2007 0.6356 H 1 UNL1111111111 0.1585 61 H 2.6620 2.1496 2.0383 H 1 UNL1111111111 0.1628 62 H 4.0315 2.7362 1.0819 H 1 UNL1111111111 0.1590 63 H 1.7009 -0.1987 -0.9694 H 1 UNL1111111111 0.1628 64 H 0.4006 2.0978 0.6720 H 1 UNL1111111111 0.1454 65 H -0.6828 0.0322 -1.3726 H 1 UNL1111111111 0.1675 66 H -2.0242 2.9742 1.0850 H 1 UNL1111111111 0.1694 67 H -3.0237 3.3486 -0.3264 H 1 UNL1111111111 0.1668 68 H -1.2711 3.4440 -0.4499 H 1 UNL1111111111 0.1636 @BOND 1 1 18 2 2 2 19 2 3 3 4 1 4 3 6 1 5 3 9 1 6 3 10 1 7 4 5 1 8 4 31 1 9 4 32 1 10 5 7 1 11 5 33 1 12 5 34 1 13 6 8 2 14 6 14 1 15 7 8 1 16 7 35 1 17 7 36 1 18 8 15 1 19 9 37 1 20 9 38 1 21 9 39 1 22 10 40 1 23 10 41 1 24 10 42 1 25 11 12 1 26 11 13 1 27 11 16 1 28 11 17 1 29 12 18 1 30 12 43 1 31 12 44 1 32 13 19 1 33 13 45 1 34 13 46 1 35 14 21 2 36 14 47 1 37 15 48 1 38 15 49 1 39 15 50 1 40 16 51 1 41 16 52 1 42 16 53 1 43 17 54 1 44 17 55 1 45 17 56 1 46 18 20 1 47 19 20 1 48 20 22 2 49 21 23 1 50 21 57 1 51 22 24 1 52 22 58 1 53 23 25 1 54 23 26 2 55 24 27 2 56 24 59 1 57 25 60 1 58 25 61 1 59 25 62 1 60 26 28 1 61 26 63 1 62 27 29 1 63 27 30 1 64 28 29 2 65 28 64 1 66 29 65 1 67 30 66 1 68 30 67 1 69 30 68 1