@MOLECULE 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4h,8h-pyrano[2,3-f]chromen-4-one 55 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.8249 -0.6880 -0.4891 O.3 1 UNL1 -0.3331 2 O 0.6944 -2.0172 -0.0430 O.2 1 UNL1 -0.2502 3 O -0.5325 2.5672 -0.8494 O.3 1 UNL1 -0.4486 4 O 1.9853 1.8036 -0.6590 O.2 1 UNL1 -0.5176 5 O 6.6391 -0.3274 2.2681 O.3 1 UNL1 -0.4503 6 O 8.0142 0.5007 0.0677 O.3 1 UNL1 -0.4941 7 C -4.3185 -1.9636 0.0075 C.3 1 UNL1 0.3216 8 C -2.5219 -0.4087 -0.4382 C.ar 1 UNL1 0.3893 9 C -1.5436 -1.4123 -0.2416 C.ar 1 UNL1 -0.3295 10 C -2.1880 0.9404 -0.6417 C.ar 1 UNL1 -0.2712 11 C -0.2109 -1.0110 -0.2475 C.ar 1 UNL1 0.3586 12 C -3.2916 -3.0482 0.0274 C.2 1 UNL1 -0.2822 13 C 0.1866 0.3139 -0.4502 C.ar 1 UNL1 -0.4800 14 C -1.9839 -2.7773 -0.0748 C.2 1 UNL1 -0.0520 15 C -0.8322 1.2827 -0.6494 C.ar 1 UNL1 0.4397 16 C -4.8234 -1.6606 1.4191 C.3 1 UNL1 -0.4946 17 C -5.4507 -2.2666 -0.9747 C.3 1 UNL1 -0.4803 18 C -3.2562 1.9738 -0.7973 C.3 1 UNL1 -0.2164 19 C 1.5959 0.6644 -0.4550 C.ar 1 UNL1 0.5463 20 C 2.5103 -0.4594 -0.2003 C.ar 1 UNL1 -0.2573 21 C -3.8508 2.2857 0.5413 C.2 1 UNL1 -0.2085 22 C 2.0145 -1.6974 -0.0188 C.ar 1 UNL1 0.1433 23 C 3.9454 -0.1916 -0.1494 C.ar 1 UNL1 0.0276 24 C -5.1435 2.1449 0.8599 C.2 1 UNL1 0.0379 25 C 4.6382 -0.3863 1.0512 C.ar 1 UNL1 -0.2088 26 C 4.6065 0.2619 -1.2918 C.ar 1 UNL1 -0.1309 27 C -5.6418 2.4766 2.2304 C.3 1 UNL1 -0.4538 28 C -6.1856 1.6644 -0.0958 C.3 1 UNL1 -0.4585 29 C 6.0043 -0.1296 1.0851 C.ar 1 UNL1 0.2060 30 C 5.9800 0.5097 -1.2626 C.ar 1 UNL1 -0.2280 31 C 6.6709 0.3089 -0.0757 C.ar 1 UNL1 0.1391 32 H -3.6792 -4.0532 0.1478 H 1 UNL1 0.1627 33 H -1.2204 -3.5549 -0.0461 H 1 UNL1 0.1586 34 H -5.4471 -0.7551 1.4265 H 1 UNL1 0.1702 35 H -5.4141 -2.4877 1.8225 H 1 UNL1 0.1567 36 H -3.9872 -1.4740 2.1056 H 1 UNL1 0.1659 37 H -6.1476 -1.4223 -1.0522 H 1 UNL1 0.1618 38 H -5.0580 -2.4557 -1.9823 H 1 UNL1 0.1652 39 H -6.0225 -3.1462 -0.6619 H 1 UNL1 0.1582 40 H -2.8422 2.9084 -1.2443 H 1 UNL1 0.1683 41 H -4.0210 1.6235 -1.5229 H 1 UNL1 0.1510 42 H -3.1234 2.6410 1.2703 H 1 UNL1 0.1530 43 H 2.5608 -2.6198 0.1698 H 1 UNL1 0.1810 44 H 0.4821 2.7083 -0.8402 H 1 UNL1 0.3826 45 H 4.1270 -0.7114 1.9550 H 1 UNL1 0.1797 46 H 4.0441 0.4356 -2.2088 H 1 UNL1 0.1667 47 H -6.4302 3.2407 2.1908 H 1 UNL1 0.1519 48 H -6.0662 1.5903 2.7220 H 1 UNL1 0.1491 49 H -4.8510 2.8618 2.8871 H 1 UNL1 0.1518 50 H -6.4047 2.4290 -0.8548 H 1 UNL1 0.1558 51 H -5.8509 0.7608 -0.6297 H 1 UNL1 0.1621 52 H -7.1323 1.4169 0.3976 H 1 UNL1 0.1439 53 H 6.4920 0.8579 -2.1547 H 1 UNL1 0.1608 54 H 7.6014 -0.0887 2.1950 H 1 UNL1 0.3406 55 H 8.4120 0.9136 -0.7352 H 1 UNL1 0.3385 @BOND 1 46 26 1 2 53 30 1 3 38 17 1 4 41 18 1 5 26 30 ar 6 26 23 ar 7 30 31 ar 8 40 18 1 9 37 17 1 10 17 39 1 11 17 7 1 12 50 28 1 13 3 44 1 14 3 15 1 15 18 10 1 16 18 21 1 17 55 6 1 18 4 19 2 19 15 10 ar 20 15 13 ar 21 10 8 ar 22 51 28 1 23 1 8 1 24 1 7 1 25 19 13 ar 26 19 20 ar 27 13 11 ar 28 8 9 ar 29 11 9 ar 30 11 2 ar 31 9 14 1 32 20 23 1 33 20 22 ar 34 23 25 ar 35 28 52 1 36 28 24 1 37 31 6 1 38 31 29 ar 39 14 33 1 40 14 12 2 41 2 22 ar 42 22 43 1 43 7 12 1 44 7 16 1 45 12 32 1 46 21 24 2 47 21 42 1 48 24 27 1 49 25 29 ar 50 25 45 1 51 29 5 1 52 16 34 1 53 16 35 1 54 16 36 1 55 47 27 1 56 54 5 1 57 27 48 1 58 27 49 1