@MOLECULE (1r,8s,10s,12e)-12-[(3,4-dihydroxyphenyl)(hydroxy)methylene]-4-isopropenyl-3,3,9,9-tetramethyl-8,10-bis(3-methyl-2-buten-1-yl)tricyclo[8.3.1.0~1,7~]tetradecane-11,13,14-trione 94 97 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.0199 2.9072 0.2366 O.2 1 UNL1 -0.4099 2 O 0.4635 -0.4206 -2.5485 O.2 1 UNL1 -0.5567 3 O -2.5553 0.3146 0.9180 O.2 1 UNL1 -0.4640 4 O -1.8657 -1.2684 -2.8127 O.2 1 UNL1 -0.4677 5 O -6.9278 -0.7819 -2.3187 O.3 1 UNL1 -0.4897 6 O -7.2826 -2.1402 0.0092 O.3 1 UNL1 -0.4429 7 C 1.3176 0.6942 -0.6325 C.3 1 UNL1 -0.1474 8 C 1.9773 -0.3444 0.3087 C.3 1 UNL1 -0.1028 9 C 0.3066 0.2508 2.1871 C.3 1 UNL1 0.1107 10 C 0.9844 -0.8953 1.3676 C.3 1 UNL1 -0.1517 11 C -0.3931 1.2314 1.1850 C.3 1 UNL1 -0.1949 12 C 2.2878 1.3633 -1.6238 C.3 1 UNL1 -0.2922 13 C 0.6807 1.7566 0.2546 C.2 1 UNL1 0.4438 14 C 3.7748 1.5388 -1.2277 C.3 1 UNL1 0.1215 15 C 2.6064 -1.4879 -0.5014 C.3 1 UNL1 -0.2866 16 C 4.5011 0.1769 -0.9597 C.3 1 UNL1 -0.1555 17 C 0.2086 0.0134 -1.4258 C.2 1 UNL1 0.5459 18 C 3.7062 -1.0372 -1.4747 C.3 1 UNL1 -0.2740 19 C 1.7094 -1.8855 2.3077 C.3 1 UNL1 -0.2743 20 C -1.4614 0.4498 0.4218 C.2 1 UNL1 0.5213 21 C -1.0859 2.4210 1.8719 C.3 1 UNL1 -0.2454 22 C -0.7451 -0.3601 3.1268 C.3 1 UNL1 -0.4628 23 C 1.3342 1.0219 3.0266 C.3 1 UNL1 -0.4707 24 C -1.1219 -0.1331 -0.8738 C.2 1 UNL1 -0.5826 25 C 3.8992 2.4385 0.0131 C.3 1 UNL1 -0.4705 26 C 4.4241 2.2920 -2.4088 C.3 1 UNL1 -0.4720 27 C 5.9032 0.1635 -1.5211 C.2 1 UNL1 0.0777 28 C 1.5832 -3.2977 1.8355 C.2 1 UNL1 -0.2290 29 C -1.7673 3.3278 0.8971 C.2 1 UNL1 -0.2024 30 C -2.0882 -0.8168 -1.5935 C.2 1 UNL1 0.5294 31 C 6.9646 0.6261 -0.5727 C.3 1 UNL1 -0.4684 32 C 2.5462 -4.2220 1.9525 C.2 1 UNL1 0.0403 33 C 6.2096 -0.2493 -2.7540 C.2 1 UNL1 -0.4012 34 C -2.4699 4.4038 1.2764 C.2 1 UNL1 0.0340 35 C -3.4547 -1.1456 -1.1686 C.ar 1 UNL1 -0.1178 36 C 3.8804 -3.9452 2.5636 C.3 1 UNL1 -0.4552 37 C 2.3436 -5.6174 1.4594 C.3 1 UNL1 -0.4567 38 C -3.1393 5.2903 0.2786 C.3 1 UNL1 -0.4509 39 C -2.6377 4.7924 2.7084 C.3 1 UNL1 -0.4536 40 C -4.5190 -0.7785 -2.0031 C.ar 1 UNL1 -0.1705 41 C -3.6787 -1.8359 0.0238 C.ar 1 UNL1 -0.0358 42 C -5.8066 -1.0998 -1.6086 C.ar 1 UNL1 0.1102 43 C -4.9755 -2.1690 0.4110 C.ar 1 UNL1 -0.2322 44 C -6.0424 -1.7962 -0.4035 C.ar 1 UNL1 0.2511 45 H -0.8746 -1.0724 -3.1245 H 1 UNL1 0.4043 46 H -6.7031 -0.3685 -3.1872 H 1 UNL1 0.3402 47 H -7.9755 -1.8246 -0.6331 H 1 UNL1 0.3449 48 H 2.7908 0.1821 0.8712 H 1 UNL1 0.1564 49 H 0.1764 -1.4536 0.8359 H 1 UNL1 0.1506 50 H 1.8841 2.3707 -1.8728 H 1 UNL1 0.1612 51 H 2.2662 0.8087 -2.5903 H 1 UNL1 0.1730 52 H 1.8242 -2.0360 -1.0612 H 1 UNL1 0.1482 53 H 3.0430 -2.2333 0.1938 H 1 UNL1 0.1501 54 H 4.5922 0.0570 0.1526 H 1 UNL1 0.1438 55 H 3.2705 -0.8214 -2.4694 H 1 UNL1 0.1545 56 H 4.3948 -1.8892 -1.6428 H 1 UNL1 0.1374 57 H 1.2884 -1.8319 3.3355 H 1 UNL1 0.1523 58 H 2.7698 -1.5858 2.4242 H 1 UNL1 0.1462 59 H -0.3388 3.0034 2.4538 H 1 UNL1 0.1583 60 H -1.8328 2.0431 2.6062 H 1 UNL1 0.1632 61 H -1.4074 -1.0617 2.6054 H 1 UNL1 0.1582 62 H -1.3934 0.4083 3.5654 H 1 UNL1 0.1568 63 H -0.2841 -0.9013 3.9592 H 1 UNL1 0.1429 64 H 2.0059 1.6317 2.4109 H 1 UNL1 0.1545 65 H 1.9594 0.3487 3.6216 H 1 UNL1 0.1484 66 H 0.8419 1.7025 3.7316 H 1 UNL1 0.1524 67 H 3.4512 1.9877 0.9027 H 1 UNL1 0.1391 68 H 3.3767 3.3933 -0.1448 H 1 UNL1 0.1680 69 H 4.9433 2.6686 0.2413 H 1 UNL1 0.1365 70 H 4.4084 1.6917 -3.3245 H 1 UNL1 0.1497 71 H 5.4696 2.5428 -2.2016 H 1 UNL1 0.1495 72 H 3.9034 3.2330 -2.6154 H 1 UNL1 0.1457 73 H 0.6220 -3.5453 1.3893 H 1 UNL1 0.1489 74 H -1.6569 3.0699 -0.1525 H 1 UNL1 0.1499 75 H 6.7179 1.6058 -0.1396 H 1 UNL1 0.1570 76 H 7.9451 0.7268 -1.0558 H 1 UNL1 0.1518 77 H 7.0853 -0.0818 0.2593 H 1 UNL1 0.1550 78 H 5.4831 -0.5938 -3.4703 H 1 UNL1 0.1502 79 H 7.2120 -0.2691 -3.1447 H 1 UNL1 0.1448 80 H 3.7828 -3.4895 3.5589 H 1 UNL1 0.1530 81 H 4.4669 -3.2536 1.9396 H 1 UNL1 0.1601 82 H 4.4840 -4.8531 2.6893 H 1 UNL1 0.1507 83 H 1.3870 -5.7506 0.9373 H 1 UNL1 0.1515 84 H 2.3607 -6.3371 2.2901 H 1 UNL1 0.1542 85 H 3.1365 -5.9100 0.7561 H 1 UNL1 0.1570 86 H -2.9838 4.9554 -0.7553 H 1 UNL1 0.1504 87 H -2.7588 6.3193 0.3450 H 1 UNL1 0.1530 88 H -4.2247 5.3258 0.4476 H 1 UNL1 0.1530 89 H -3.1709 4.0107 3.2695 H 1 UNL1 0.1546 90 H -3.2050 5.7229 2.8314 H 1 UNL1 0.1485 91 H -1.6639 4.9412 3.1972 H 1 UNL1 0.1525 92 H -4.3301 -0.2519 -2.9368 H 1 UNL1 0.1711 93 H -2.8392 -2.1098 0.6663 H 1 UNL1 0.1677 94 H -5.1683 -2.7014 1.3408 H 1 UNL1 0.1811 @BOND 1 78 33 1 2 70 26 1 3 46 5 1 4 79 33 1 5 45 4 1 6 92 40 1 7 4 30 1 8 33 27 2 9 72 26 1 10 51 12 1 11 2 17 2 12 55 18 1 13 26 71 1 14 26 14 1 15 5 42 1 16 40 42 ar 17 40 35 ar 18 50 12 1 19 56 18 1 20 12 14 1 21 12 7 1 22 42 44 ar 23 30 35 1 24 30 24 2 25 27 16 1 26 27 31 1 27 18 16 1 28 18 15 1 29 17 24 1 30 17 7 1 31 14 16 1 32 14 25 1 33 35 41 ar 34 52 15 1 35 76 31 1 36 16 54 1 37 24 20 1 38 86 38 1 39 47 6 1 40 7 13 1 41 7 8 1 42 31 75 1 43 31 77 1 44 15 53 1 45 15 8 1 46 44 6 1 47 44 43 ar 48 74 29 1 49 68 25 1 50 25 69 1 51 25 67 1 52 41 43 ar 53 41 93 1 54 1 13 2 55 13 11 1 56 38 87 1 57 38 88 1 58 38 34 1 59 8 48 1 60 8 10 1 61 43 94 1 62 20 3 2 63 20 11 1 64 85 37 1 65 49 10 1 66 29 34 2 67 29 21 1 68 83 37 1 69 11 21 1 70 11 9 1 71 34 39 1 72 10 9 1 73 10 19 1 74 73 28 1 75 37 32 1 76 37 84 1 77 28 32 2 78 28 19 1 79 21 59 1 80 21 60 1 81 81 36 1 82 32 36 1 83 9 23 1 84 9 22 1 85 19 58 1 86 19 57 1 87 64 23 1 88 36 82 1 89 36 80 1 90 61 22 1 91 39 90 1 92 39 91 1 93 39 89 1 94 23 65 1 95 23 66 1 96 22 62 1 97 22 63 1