@MOLECULE (1s,3s,5s,6as,7r,8r,10s,10as)-1-acetoxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylene-4-penten-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate 76 79 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.6898 -1.1949 -2.1791 C.3 1 UNL1 0.1498 2 C 0.8449 0.2954 -0.6539 C.3 1 UNL1 -0.1105 3 C -0.0905 -0.9517 1.3492 C.3 1 UNL1 0.1644 4 C 0.6062 1.5174 1.6044 C.3 1 UNL1 -0.0945 5 C 0.2270 1.5269 0.0977 C.3 1 UNL1 0.0695 6 C 0.9450 -0.9842 0.2018 C.3 1 UNL1 -0.0804 7 C 1.6520 -3.3179 0.0470 C.3 1 UNL1 0.2994 8 C 2.3524 -1.2432 0.8353 C.3 1 UNL1 0.3208 9 C -5.0947 0.3248 -0.8862 C.ar 1 UNL1 -0.0085 10 C -6.0982 0.3402 0.0698 C.ar 1 UNL1 -0.2812 11 C -4.8699 -1.3528 1.3578 C.ar 1 UNL1 -0.3381 12 C -3.8750 -1.3540 0.3870 C.ar 1 UNL1 0.0037 13 C 0.8056 2.7886 -0.6019 C.3 1 UNL1 -0.2876 14 C 0.2816 4.1158 -0.0320 C.3 1 UNL1 -0.2830 15 C 2.0943 1.7991 1.8470 C.3 1 UNL1 -0.4664 16 C -1.3052 1.5953 0.0047 C.3 1 UNL1 -0.4703 17 C 5.4263 -0.7123 -1.0616 C.3 1 UNL1 -0.5120 18 C 3.4526 -4.7299 -0.5154 C.3 1 UNL1 -0.1932 19 H 0.8210 -2.4347 2.3232 H 1 UNL1 0.3322 20 H -6.8574 -1.0538 2.8385 H 1 UNL1 0.3324 21 C -3.9838 -0.5141 -0.7251 C.ar 1 UNL1 -0.2331 22 C -5.9669 -0.5034 1.1817 C.ar 1 UNL1 0.3387 23 O -2.9824 0.0688 -2.8304 O.2 1 UNL1 -0.5253 24 O 5.0025 -1.0718 1.3006 O.2 1 UNL1 -0.4962 25 C 0.1700 0.0653 -2.0282 C.3 1 UNL1 -0.3251 26 C 0.1482 0.2230 2.3042 C.3 1 UNL1 -0.3443 27 O -0.0850 -2.1506 2.0885 O.3 1 UNL1 -0.5814 28 O -6.9824 -0.4388 2.0743 O.3 1 UNL1 -0.4695 29 C -2.9334 -0.4730 -1.7526 C.2 1 UNL1 0.6211 30 C 4.6191 -0.9222 0.1726 C.2 1 UNL1 0.6489 31 C 1.1094 5.2548 -0.5504 C.2 1 UNL1 0.0292 32 O 3.2965 -0.8781 -0.1532 O.3 1 UNL1 -0.4816 33 O 2.4937 -3.7881 -0.9696 O.3 1 UNL1 -0.3919 34 O -1.8346 -1.1327 -1.3151 O.3 1 UNL1 -0.4340 35 C 2.4826 5.3429 -0.0346 C.2 1 UNL1 -0.1365 36 O 2.4129 -2.6361 1.0495 O.3 1 UNL1 -0.4801 37 C 0.0375 -2.4028 -1.6752 C.2 1 UNL1 -0.1876 38 C 0.7752 -2.2643 -0.5787 C.2 1 UNL1 -0.0293 39 C 0.6412 6.1398 -1.4343 C.2 1 UNL1 -0.3622 40 C 2.7692 5.4961 1.2586 C.2 1 UNL1 -0.3134 41 H 1.9057 0.5915 -0.8900 H 1 UNL1 0.1588 42 H -1.0436 -1.3074 -3.2306 H 1 UNL1 0.1472 43 H -0.0666 -3.3280 -2.2286 H 1 UNL1 0.1670 44 H 0.9672 0.0114 -2.8004 H 1 UNL1 0.1514 45 H -0.4443 0.9451 -2.3096 H 1 UNL1 0.1689 46 H -1.1253 -0.9496 0.9253 H 1 UNL1 0.1638 47 H -0.7917 0.4138 2.8595 H 1 UNL1 0.1514 48 H 0.8715 -0.0736 3.0870 H 1 UNL1 0.1525 49 H 0.0421 2.3589 2.0887 H 1 UNL1 0.1346 50 H 1.1468 -4.1440 0.5854 H 1 UNL1 0.1447 51 H 2.5946 -0.7848 1.8111 H 1 UNL1 0.1617 52 H 1.9112 2.7737 -0.5419 H 1 UNL1 0.1457 53 H 0.5696 2.7495 -1.6831 H 1 UNL1 0.1420 54 H 2.7459 1.2472 1.1637 H 1 UNL1 0.1494 55 H 2.3227 2.8643 1.7025 H 1 UNL1 0.1529 56 H 2.3928 1.5506 2.8711 H 1 UNL1 0.1471 57 H -1.7775 0.6574 0.3169 H 1 UNL1 0.1579 58 H -1.7134 2.3836 0.6461 H 1 UNL1 0.1433 59 H -1.6466 1.8065 -1.0155 H 1 UNL1 0.1521 60 H -5.1621 0.9657 -1.7713 H 1 UNL1 0.1721 61 H -6.9718 0.9797 -0.0253 H 1 UNL1 0.1799 62 H -4.7925 -1.9963 2.2277 H 1 UNL1 0.1695 63 H -3.0071 -2.0157 0.4972 H 1 UNL1 0.1808 64 H 5.3113 0.3133 -1.4452 H 1 UNL1 0.1857 65 H 6.4950 -0.8882 -0.8676 H 1 UNL1 0.1826 66 H 5.1056 -1.3938 -1.8678 H 1 UNL1 0.1906 67 H -0.7864 4.2470 -0.2967 H 1 UNL1 0.1490 68 H 0.3135 4.1059 1.0768 H 1 UNL1 0.1519 69 H 3.2630 5.2831 -0.7961 H 1 UNL1 0.1506 70 H 1.2202 6.9641 -1.8173 H 1 UNL1 0.1478 71 H -0.3581 6.1118 -1.8366 H 1 UNL1 0.1508 72 H 2.0215 5.5704 2.0337 H 1 UNL1 0.1470 73 H 3.7755 5.5707 1.6404 H 1 UNL1 0.1461 74 H 4.0662 -4.9058 -1.4068 H 1 UNL1 0.1427 75 H 4.0640 -4.3107 0.2923 H 1 UNL1 0.1439 76 H 2.9599 -5.6527 -0.1951 H 1 UNL1 0.1233 @BOND 1 42 1 1 2 23 29 2 3 44 25 1 4 45 25 1 5 43 37 1 6 1 25 1 7 1 37 1 8 1 34 1 9 25 2 1 10 66 17 1 11 71 39 1 12 70 39 1 13 60 9 1 14 29 34 1 15 29 21 1 16 53 13 1 17 37 38 2 18 64 17 1 19 39 31 2 20 74 18 1 21 17 65 1 22 17 30 1 23 59 16 1 24 33 18 1 25 33 7 1 26 41 2 1 27 9 21 ar 28 9 10 ar 29 69 35 1 30 21 12 ar 31 2 5 1 32 2 6 1 33 13 52 1 34 13 14 1 35 13 5 1 36 38 7 1 37 38 6 1 38 31 35 1 39 31 14 1 40 18 76 1 41 18 75 1 42 67 14 1 43 32 30 1 44 32 8 1 45 35 40 2 46 14 68 1 47 61 10 1 48 16 5 1 49 16 57 1 50 16 58 1 51 7 50 1 52 7 36 1 53 10 22 ar 54 5 4 1 55 30 24 2 56 6 8 1 57 6 3 1 58 12 63 1 59 12 11 ar 60 8 36 1 61 8 51 1 62 46 3 1 63 54 15 1 64 22 11 ar 65 22 28 1 66 40 73 1 67 40 72 1 68 3 27 1 69 3 26 1 70 11 62 1 71 4 15 1 72 4 49 1 73 4 26 1 74 55 15 1 75 15 56 1 76 28 20 1 77 27 19 1 78 26 47 1 79 26 48 1