@MOLECULE 8-{1-[5-(5,7-dihydroxy-4-oxo-4h-chromen-3-yl)-2-hydroxyphenyl]-3-methyl-2-buten-1-yl}-5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4h-chromen-4-one 84 89 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.6014 2.4804 -0.2076 C.ar 1 UNL1 -0.2935 2 C 2.8868 4.1376 0.0986 C.ar 1 UNL1 0.4571 3 C 1.6779 4.7023 -0.2986 C.ar 1 UNL1 -0.4365 4 C 0.5665 3.8660 -0.4688 C.ar 1 UNL1 0.4502 5 C 3.0064 2.7427 0.3170 C.ar 1 UNL1 -0.4813 6 C 1.8436 1.9764 0.1816 C.ar 1 UNL1 0.3501 7 O 1.8599 0.6239 0.4094 O.2 1 UNL1 -0.2607 8 C 3.0558 0.0137 0.5975 C.ar 1 UNL1 0.1341 9 C 4.2461 0.6433 0.6595 C.ar 1 UNL1 -0.2458 10 C 4.2778 2.1127 0.6243 C.ar 1 UNL1 0.5482 11 O 5.2914 2.7637 0.8291 O.2 1 UNL1 -0.5344 12 O 3.9276 4.9598 0.2467 O.3 1 UNL1 -0.4596 13 O -0.5155 4.5017 -0.9478 O.3 1 UNL1 -0.4639 14 C 5.4899 -0.1136 0.7247 C.ar 1 UNL1 -0.0420 15 C 6.5073 0.2426 1.6133 C.ar 1 UNL1 -0.0588 16 C 7.6719 -0.5170 1.6816 C.ar 1 UNL1 -0.2996 17 C 7.8045 -1.6217 0.8404 C.ar 1 UNL1 0.2662 18 C 6.8139 -1.9826 -0.0861 C.ar 1 UNL1 -0.0723 19 C 5.6578 -1.2124 -0.1300 C.ar 1 UNL1 -0.1318 20 O 8.9123 -2.4108 0.8594 O.3 1 UNL1 -0.4739 21 C 6.9898 -3.1605 -0.9909 C.3 1 UNL1 -0.2609 22 C 6.1378 -4.3075 -0.5486 C.2 1 UNL1 -0.2127 23 C 6.3919 -5.5945 -0.8166 C.2 1 UNL1 0.0409 24 C 5.4859 -6.6774 -0.3210 C.3 1 UNL1 -0.4561 25 C 7.5627 -6.0827 -1.6025 C.3 1 UNL1 -0.4521 26 C -8.4470 -3.6360 -0.0229 C.ar 1 UNL1 0.4354 27 C -7.8366 -3.7171 1.2341 C.ar 1 UNL1 -0.5409 28 C -6.8885 -2.7420 1.5595 C.ar 1 UNL1 0.4446 29 C -8.1511 -2.6295 -0.9475 C.ar 1 UNL1 -0.4226 30 C -7.1956 -1.6886 -0.5725 C.ar 1 UNL1 0.3653 31 C -6.5402 -1.7090 0.6662 C.ar 1 UNL1 -0.4223 32 C -5.5399 -0.6922 0.9876 C.ar 1 UNL1 0.5055 33 C -5.2989 0.2830 -0.1084 C.ar 1 UNL1 -0.2456 34 C -5.9938 0.2077 -1.2507 C.ar 1 UNL1 0.1158 35 O -6.9455 -0.7362 -1.5178 O.2 1 UNL1 -0.2561 36 O -9.3684 -4.5342 -0.4264 O.3 1 UNL1 -0.4499 37 O -6.2564 -2.7378 2.7419 O.3 1 UNL1 -0.3828 38 O -4.9478 -0.6274 2.0363 O.2 1 UNL1 -0.4112 39 C -4.2559 1.2667 0.1693 C.ar 1 UNL1 -0.0421 40 C -4.5052 2.3148 1.0605 C.ar 1 UNL1 -0.0618 41 C -3.4637 3.1383 1.4699 C.ar 1 UNL1 -0.2937 42 C -2.1733 2.8831 0.9984 C.ar 1 UNL1 0.2559 43 C -1.9055 1.8823 0.0523 C.ar 1 UNL1 -0.1237 44 C -2.9734 1.0756 -0.3472 C.ar 1 UNL1 -0.1037 45 O -1.1042 3.5959 1.4364 O.3 1 UNL1 -0.4576 46 C -0.5233 1.5011 -0.3984 C.3 1 UNL1 -0.0507 47 C -0.4279 1.0049 -1.8187 C.2 1 UNL1 -0.2526 48 C -0.9556 1.5081 -2.9412 C.2 1 UNL1 0.0765 49 C -0.6488 0.8625 -4.2585 C.3 1 UNL1 -0.4602 50 C -1.8360 2.7058 -3.0500 C.3 1 UNL1 -0.4720 51 H 1.5968 5.7696 -0.4858 H 1 UNL1 0.2053 52 H 2.8557 -1.0540 0.6763 H 1 UNL1 0.1800 53 H 4.7640 4.4369 0.5196 H 1 UNL1 0.3830 54 H -1.3176 3.9113 -1.0054 H 1 UNL1 0.3476 55 H 6.3912 1.1251 2.2464 H 1 UNL1 0.1734 56 H 8.4618 -0.2472 2.3739 H 1 UNL1 0.1600 57 H 4.8778 -1.4649 -0.8483 H 1 UNL1 0.1555 58 H 9.5551 -2.1269 1.5515 H 1 UNL1 0.3254 59 H 8.0636 -3.4577 -1.0289 H 1 UNL1 0.1693 60 H 6.7317 -2.8836 -2.0385 H 1 UNL1 0.1562 61 H 5.2606 -4.0201 0.0312 H 1 UNL1 0.1491 62 H 4.6060 -6.2868 0.2056 H 1 UNL1 0.1490 63 H 6.0133 -7.3388 0.3815 H 1 UNL1 0.1556 64 H 5.1196 -7.3019 -1.1465 H 1 UNL1 0.1513 65 H 8.2345 -5.2754 -1.9228 H 1 UNL1 0.1541 66 H 7.2393 -6.6098 -2.5109 H 1 UNL1 0.1521 67 H 8.1689 -6.7850 -1.0123 H 1 UNL1 0.1550 68 H -8.0891 -4.5041 1.9289 H 1 UNL1 0.1782 69 H -8.6457 -2.5914 -1.9129 H 1 UNL1 0.2040 70 H -5.9354 0.8451 -2.1294 H 1 UNL1 0.1794 71 H -9.5466 -5.2325 0.2545 H 1 UNL1 0.3345 72 H -6.5419 -3.4890 3.3293 H 1 UNL1 0.3213 73 H -5.5099 2.4649 1.4555 H 1 UNL1 0.1591 74 H -3.6452 3.9426 2.1755 H 1 UNL1 0.1630 75 H -2.7915 0.2578 -1.0492 H 1 UNL1 0.1684 76 H -1.3603 4.3042 2.0778 H 1 UNL1 0.3289 77 H -0.2991 0.6044 0.2763 H 1 UNL1 0.1800 78 H 0.2221 0.1264 -1.8874 H 1 UNL1 0.1544 79 H 0.0456 0.0170 -4.1710 H 1 UNL1 0.1513 80 H -0.1881 1.5827 -4.9494 H 1 UNL1 0.1581 81 H -1.5611 0.4827 -4.7373 H 1 UNL1 0.1531 82 H -2.5661 2.7673 -2.2318 H 1 UNL1 0.1572 83 H -2.4137 2.7174 -3.9839 H 1 UNL1 0.1546 84 H -1.2306 3.6291 -3.0552 H 1 UNL1 0.1721 @BOND 1 80 49 1 2 81 49 1 3 49 79 1 4 49 48 1 5 83 50 1 6 84 50 1 7 50 48 1 8 50 82 1 9 48 47 2 10 66 25 1 11 70 34 1 12 60 21 1 13 65 25 1 14 69 29 1 15 78 47 1 16 47 46 1 17 25 67 1 18 25 23 1 19 35 34 ar 20 35 30 ar 21 34 33 ar 22 64 24 1 23 75 44 1 24 59 21 1 25 54 13 1 26 21 22 1 27 21 18 1 28 13 4 1 29 29 30 ar 30 29 26 ar 31 57 19 1 32 23 22 2 33 23 24 1 34 30 31 ar 35 22 61 1 36 51 3 1 37 4 3 ar 38 4 1 ar 39 36 26 1 40 36 71 1 41 46 1 1 42 46 43 1 43 46 77 1 44 44 43 ar 45 44 39 ar 46 24 62 1 47 24 63 1 48 3 2 ar 49 1 6 ar 50 19 18 ar 51 19 14 ar 52 33 39 1 53 33 32 ar 54 18 17 ar 55 26 27 ar 56 43 42 ar 57 2 12 1 58 2 5 ar 59 39 40 ar 60 6 5 ar 61 6 7 ar 62 12 53 1 63 5 10 ar 64 7 8 ar 65 8 9 ar 66 8 52 1 67 10 9 ar 68 10 11 2 69 9 14 1 70 31 32 ar 71 31 28 ar 72 14 15 ar 73 17 20 1 74 17 16 ar 75 20 58 1 76 32 38 2 77 42 45 1 78 42 41 ar 79 40 73 1 80 40 41 ar 81 27 28 ar 82 27 68 1 83 45 76 1 84 41 74 1 85 28 37 1 86 15 16 ar 87 15 55 1 88 16 56 1 89 37 72 1