@MOLECULE (3as,8ar,13br,13cs)-6-(6-hydroxy-1-benzofuran-2-yl)-8a-(5-hydroxy-2,2-dimethyl-2h-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3ah-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol 79 87 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3798 0.6664 1.2411 O.3 1 UNL1111111111 -0.3315 2 O -0.3811 -0.1066 0.6680 O.3 1 UNL1111111111 -0.3250 3 O -0.6008 2.3566 0.1207 O.3 1 UNL1111111111 -0.3008 4 O 0.5404 -4.0189 -1.9126 O.3 1 UNL1111111111 -0.4741 5 O -6.3133 2.1258 3.3511 O.3 1 UNL1111111111 -0.4746 6 O -1.8307 3.2283 -4.3633 O.3 1 UNL1111111111 -0.4667 7 O 4.3986 -0.1636 0.6478 O.2 1 UNL1111111111 -0.1972 8 O 8.5335 1.8916 1.7994 O.3 1 UNL1111111111 -0.4653 9 C -2.2431 -1.5346 0.2395 C.3 1 UNL1111111111 -0.2249 10 C -3.7569 -1.6589 0.0550 C.3 1 UNL1111111111 -0.0733 11 C -1.4862 -2.4207 -0.7630 C.3 1 UNL1111111111 -0.0611 12 C -1.7486 -0.0941 0.1931 C.3 1 UNL1111111111 0.4566 13 C -4.1488 -3.1060 0.4248 C.3 1 UNL1111111111 -0.2911 14 C -4.4312 -0.6389 0.9184 C.ar 1 UNL1111111111 -0.2256 15 C -0.0214 -2.1752 -0.5848 C.ar 1 UNL1111111111 -0.2279 16 C -1.9422 -3.8325 -0.5423 C.2 1 UNL1111111111 -0.2143 17 C -3.1498 -4.1250 -0.0426 C.2 1 UNL1111111111 0.0222 18 C -1.8008 0.7391 -1.0451 C.ar 1 UNL1111111111 -0.3008 19 C -3.6986 0.4328 1.4504 C.ar 1 UNL1111111111 0.3251 20 C 0.4230 -1.0537 0.1289 C.ar 1 UNL1111111111 0.3054 21 C 0.9736 -2.9878 -1.1414 C.ar 1 UNL1111111111 0.3349 22 C -5.7950 -0.7192 1.2058 C.ar 1 UNL1111111111 -0.0374 23 C -1.1704 2.0079 -1.0292 C.ar 1 UNL1111111111 0.3838 24 C -3.6009 -5.5403 0.1235 C.3 1 UNL1111111111 -0.4591 25 C -2.4519 0.3430 -2.2078 C.ar 1 UNL1111111111 0.0296 26 C 1.7835 -0.7976 0.3593 C.ar 1 UNL1111111111 -0.2812 27 C -4.2864 1.3931 2.2841 C.ar 1 UNL1111111111 -0.3994 28 C 2.3371 -2.7589 -0.9501 C.ar 1 UNL1111111111 -0.3653 29 C 2.7335 -1.6569 -0.1828 C.ar 1 UNL1111111111 0.0980 30 C -1.1838 2.8503 -2.1572 C.ar 1 UNL1111111111 -0.2947 31 C -6.4181 0.2150 2.0226 C.ar 1 UNL1111111111 -0.3125 32 C -5.6443 1.2546 2.5547 C.ar 1 UNL1111111111 0.3447 33 C -2.4788 1.1462 -3.3443 C.ar 1 UNL1111111111 -0.4042 34 C 0.2333 3.5453 0.2108 C.3 1 UNL1111111111 0.3132 35 C -1.8424 2.3899 -3.3010 C.ar 1 UNL1111111111 0.3817 36 C -0.5484 4.1441 -2.0607 C.2 1 UNL1111111111 -0.0598 37 C 0.1091 4.4830 -0.9445 C.2 1 UNL1111111111 -0.2817 38 C 4.1408 -1.3965 0.0196 C.ar 1 UNL1111111111 0.1218 39 C -0.2599 4.1777 1.5134 C.3 1 UNL1111111111 -0.4800 40 C 1.6572 2.9975 0.3214 C.3 1 UNL1111111111 -0.4830 41 C 5.2981 -2.0628 -0.2682 C.ar 1 UNL1111111111 -0.2151 42 C 6.3839 -1.2266 0.1881 C.ar 1 UNL1111111111 -0.1587 43 C 5.7647 -0.0715 0.7395 C.ar 1 UNL1111111111 0.2123 44 C 7.7720 -1.3193 0.1899 C.ar 1 UNL1111111111 -0.0278 45 C 6.4566 0.9936 1.2890 C.ar 1 UNL1111111111 -0.3169 46 C 8.5080 -0.2720 0.7319 C.ar 1 UNL1111111111 -0.3455 47 C 7.8461 0.8515 1.2645 C.ar 1 UNL1111111111 0.3271 48 H -1.9957 -1.9101 1.2782 H 1 UNL1111111111 0.1909 49 H -4.0404 -1.4779 -1.0128 H 1 UNL1111111111 0.1479 50 H -1.7534 -2.1478 -1.8234 H 1 UNL1111111111 0.1632 51 H -5.1497 -3.3374 0.0110 H 1 UNL1111111111 0.1455 52 H -4.2547 -3.1896 1.5288 H 1 UNL1111111111 0.1613 53 H -1.2424 -4.6093 -0.8389 H 1 UNL1111111111 0.1670 54 H -6.3854 -1.5327 0.7823 H 1 UNL1111111111 0.1475 55 H -3.8997 -5.7484 1.1604 H 1 UNL1111111111 0.1549 56 H -2.8175 -6.2654 -0.1342 H 1 UNL1111111111 0.1522 57 H -4.4644 -5.7604 -0.5190 H 1 UNL1111111111 0.1516 58 H -2.9620 -0.6249 -2.2470 H 1 UNL1111111111 0.1562 59 H 2.0675 0.0748 0.9465 H 1 UNL1111111111 0.1914 60 H -3.6895 2.2046 2.6825 H 1 UNL1111111111 0.1839 61 H 3.0753 -3.4154 -1.3929 H 1 UNL1111111111 0.1637 62 H -7.4761 0.1570 2.2531 H 1 UNL1111111111 0.1737 63 H -2.9865 0.8128 -4.2399 H 1 UNL1111111111 0.1657 64 H 1.2901 -4.5452 -2.2830 H 1 UNL1111111111 0.3271 65 H -0.6377 4.8107 -2.9195 H 1 UNL1111111111 0.1641 66 H 0.5978 5.4426 -0.8157 H 1 UNL1111111111 0.1619 67 H -0.3319 3.4218 2.3092 H 1 UNL1111111111 0.1716 68 H -1.2613 4.6076 1.3893 H 1 UNL1111111111 0.1602 69 H 0.4144 4.9672 1.8553 H 1 UNL1111111111 0.1526 70 H 1.7331 2.2679 1.1392 H 1 UNL1111111111 0.1681 71 H 2.3826 3.7945 0.5076 H 1 UNL1111111111 0.1552 72 H 1.9532 2.4797 -0.6006 H 1 UNL1111111111 0.1661 73 H -5.7274 2.8448 3.6921 H 1 UNL1111111111 0.3296 74 H 5.4159 -3.0171 -0.7361 H 1 UNL1111111111 0.1720 75 H -2.3130 2.8547 -5.1418 H 1 UNL1111111111 0.3315 76 H 8.2685 -2.1945 -0.2252 H 1 UNL1111111111 0.1558 77 H 5.9746 1.8694 1.7067 H 1 UNL1111111111 0.1961 78 H 9.5914 -0.3169 0.7459 H 1 UNL1111111111 0.1631 79 H 9.5112 1.7536 1.7657 H 1 UNL1111111111 0.3283 @BOND 1 1 12 1 2 1 19 1 3 2 12 1 4 2 20 1 5 3 23 1 6 3 34 1 7 4 21 1 8 4 64 1 9 5 32 1 10 5 73 1 11 6 35 1 12 6 75 1 13 7 38 ar 14 7 43 ar 15 8 47 1 16 8 79 1 17 9 10 1 18 9 11 1 19 9 12 1 20 9 48 1 21 10 13 1 22 10 14 1 23 10 49 1 24 11 15 1 25 11 16 1 26 11 50 1 27 12 18 1 28 13 17 1 29 13 51 1 30 13 52 1 31 14 19 ar 32 14 22 ar 33 15 20 ar 34 15 21 ar 35 16 17 2 36 16 53 1 37 17 24 1 38 18 23 ar 39 18 25 ar 40 19 27 ar 41 20 26 ar 42 21 28 ar 43 22 31 ar 44 22 54 1 45 23 30 ar 46 24 55 1 47 24 56 1 48 24 57 1 49 25 33 ar 50 25 58 1 51 26 29 ar 52 26 59 1 53 27 32 ar 54 27 60 1 55 28 29 ar 56 28 61 1 57 29 38 1 58 30 35 ar 59 30 36 1 60 31 32 ar 61 31 62 1 62 33 35 ar 63 33 63 1 64 34 37 1 65 34 39 1 66 34 40 1 67 36 37 2 68 36 65 1 69 37 66 1 70 38 41 ar 71 39 67 1 72 39 68 1 73 39 69 1 74 40 70 1 75 40 71 1 76 40 72 1 77 41 42 ar 78 41 74 1 79 42 43 ar 80 42 44 ar 81 43 45 ar 82 44 46 ar 83 44 76 1 84 45 47 ar 85 45 77 1 86 46 47 ar 87 46 78 1