@MOLECULE 6-(2,5-dihydroxy-3-methylphenyl)-1-(2,4-dihydroxy-6,7,9,9-tetramethylbicyclo(4.2.1)nona-2,4-dien-7-yl)-4-methyl-4-hexen-2-one 68 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.2284 -0.6986 -1.2408 C.3 1 UNL1 0.0670 2 C -1.9541 -0.4363 -0.3351 C.3 1 UNL1 0.1081 3 C -3.9055 -1.1541 1.0576 C.3 1 UNL1 -0.1846 4 C 3.7362 -0.3091 0.4749 C.ar 1 UNL1 -0.2990 5 C 5.3944 -2.1114 0.4319 C.ar 1 UNL1 -0.2393 6 C -1.4677 1.0227 -0.4612 C.3 1 UNL1 -0.4197 7 C 0.4958 2.5929 -0.0091 C.3 1 UNL1 -0.4117 8 C 4.2965 1.9715 -0.4707 C.3 1 UNL1 -0.2686 9 C -2.8750 -1.3075 -2.6053 C.3 1 UNL1 -0.4523 10 C -5.5864 -1.6992 -0.8216 C.3 1 UNL1 -0.4711 11 C -3.6285 -3.1327 -0.4337 C.3 1 UNL1 -0.4637 12 C -0.7779 -1.3514 -0.7020 C.3 1 UNL1 -0.4670 13 C 2.3292 2.6621 1.7254 C.3 1 UNL1 -0.4589 14 C 7.6705 -1.7353 -0.5470 C.3 1 UNL1 -0.4471 15 H -5.7762 0.5982 2.9969 H 1 UNL1 0.3297 16 H -5.7540 2.9921 -0.6687 H 1 UNL1 0.3204 17 H 7.6043 0.5668 -1.3155 H 1 UNL1 0.3219 18 H 2.4487 -2.0581 1.6487 H 1 UNL1 0.3314 19 C 4.6348 0.5472 -0.1540 C.ar 1 UNL1 0.0284 20 C 5.9103 0.0540 -0.4725 C.ar 1 UNL1 0.1380 21 C 6.3038 -1.2600 -0.1934 C.ar 1 UNL1 -0.0277 22 C 4.1310 -1.6165 0.7591 C.ar 1 UNL1 0.2576 23 O 0.0863 0.6514 1.3074 O.2 1 UNL1 -0.4841 24 O -5.2121 -0.1461 2.6764 O.2 1 UNL1 -0.4865 25 O -5.1278 2.5080 -1.2465 O.2 1 UNL1 -0.5098 26 O 6.7389 0.9652 -1.0658 O.3 1 UNL1 -0.4796 27 O 3.2959 -2.4942 1.3811 O.3 1 UNL1 -0.4768 28 C -0.2486 1.3265 0.3666 C.2 1 UNL1 0.5127 29 C 1.9592 2.4593 0.2967 C.2 1 UNL1 0.0544 30 C 2.8293 2.1636 -0.6780 C.2 1 UNL1 -0.2101 31 C -2.4254 -0.7255 1.1153 C.3 1 UNL1 -0.2900 32 C -4.7630 0.0176 1.4057 C.2 1 UNL1 0.3766 33 C -4.6777 1.3354 -0.6770 C.2 1 UNL1 0.3067 34 C -3.9304 0.5980 -1.5188 C.2 1 UNL1 -0.3457 35 C -5.0820 1.1175 0.6919 C.2 1 UNL1 -0.4880 36 C -4.1189 -1.6730 -0.3916 C.3 1 UNL1 0.0933 37 H -4.1014 -1.9748 1.7918 H 1 UNL1 0.1723 38 H -1.8120 -1.5193 1.5764 H 1 UNL1 0.1566 39 H -2.2792 0.1488 1.7724 H 1 UNL1 0.1579 40 H -3.7921 0.9822 -2.5332 H 1 UNL1 0.1738 41 H -1.2937 1.2538 -1.5304 H 1 UNL1 0.1722 42 H -2.2727 1.7238 -0.1419 H 1 UNL1 0.1866 43 H -3.7819 -1.4590 -3.2038 H 1 UNL1 0.1469 44 H -2.2083 -0.6484 -3.1722 H 1 UNL1 0.1445 45 H -2.3772 -2.2777 -2.5219 H 1 UNL1 0.1487 46 H -5.6889 -2.1210 -1.8283 H 1 UNL1 0.1510 47 H -6.1885 -2.3085 -0.1389 H 1 UNL1 0.1461 48 H -6.0436 -0.7052 -0.8566 H 1 UNL1 0.1601 49 H -2.5840 -3.2256 -0.1166 H 1 UNL1 0.1522 50 H -4.2275 -3.7656 0.2308 H 1 UNL1 0.1444 51 H -3.7143 -3.5555 -1.4400 H 1 UNL1 0.1488 52 H -0.3435 -1.0852 -1.6711 H 1 UNL1 0.1469 53 H 0.0257 -1.2817 0.0434 H 1 UNL1 0.1607 54 H -1.0721 -2.4048 -0.7489 H 1 UNL1 0.1468 55 H -5.6960 1.8986 1.1373 H 1 UNL1 0.1661 56 H 0.3316 2.8494 -1.0747 H 1 UNL1 0.1669 57 H 0.0564 3.4405 0.5611 H 1 UNL1 0.1764 58 H 2.5037 2.0164 -1.7060 H 1 UNL1 0.1482 59 H 4.6844 2.6261 0.3433 H 1 UNL1 0.1647 60 H 4.8559 2.3056 -1.3768 H 1 UNL1 0.1704 61 H 2.7358 0.0365 0.7408 H 1 UNL1 0.1880 62 H 5.6497 -3.1395 0.6727 H 1 UNL1 0.1751 63 H 1.5543 2.2675 2.4033 H 1 UNL1 0.1719 64 H 3.2628 2.1479 1.9976 H 1 UNL1 0.1631 65 H 2.4585 3.7276 1.9546 H 1 UNL1 0.1512 66 H 8.4463 -1.1633 -0.0156 H 1 UNL1 0.1571 67 H 7.8252 -2.7911 -0.2781 H 1 UNL1 0.1648 68 H 7.8621 -1.6603 -1.6275 H 1 UNL1 0.1547 @BOND 1 43 9 1 2 44 9 1 3 9 45 1 4 9 1 1 5 40 34 1 6 46 10 1 7 58 30 1 8 52 12 1 9 68 14 1 10 41 6 1 11 34 1 1 12 34 33 2 13 51 11 1 14 60 8 1 15 17 26 1 16 25 33 1 17 25 16 1 18 1 36 1 19 1 2 1 20 56 7 1 21 26 20 1 22 48 10 1 23 10 36 1 24 10 47 1 25 54 12 1 26 12 2 1 27 12 53 1 28 30 8 1 29 30 29 2 30 33 35 1 31 14 67 1 32 14 21 1 33 14 66 1 34 20 21 ar 35 20 19 ar 36 8 19 1 37 8 59 1 38 6 2 1 39 6 42 1 40 6 28 1 41 11 36 1 42 11 49 1 43 11 50 1 44 36 3 1 45 2 31 1 46 21 5 ar 47 19 4 ar 48 7 29 1 49 7 28 1 50 7 57 1 51 29 13 1 52 28 23 2 53 5 62 1 54 5 22 ar 55 4 61 1 56 4 22 ar 57 35 55 1 58 35 32 2 59 22 27 1 60 3 31 1 61 3 32 1 62 3 37 1 63 31 38 1 64 31 39 1 65 27 18 1 66 32 24 1 67 13 65 1 68 13 64 1 69 13 63 1 70 24 15 1