@MOLECULE 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-3,4-dihydro-2h,6h-pyrano[3,2-g]chromen-6-one 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.4260 -1.6384 0.2291 O.3 1 UNL1 -0.3534 2 O 0.1062 -0.8549 -0.2103 O.2 1 UNL1 -0.2352 3 O -2.9517 2.8578 -0.1865 O.3 1 UNL1 -0.4721 4 O -0.3576 3.1927 -0.4515 O.2 1 UNL1 -0.5528 5 O 2.1756 -1.1850 1.9207 O.3 1 UNL1 -0.4350 6 O 5.8670 -3.0552 -0.3533 O.3 1 UNL1 -0.4637 7 C -5.8151 -1.2471 0.1151 C.3 1 UNL1 0.3188 8 C -6.0486 0.1179 0.7683 C.3 1 UNL1 -0.3401 9 C -5.1466 1.1840 0.1373 C.3 1 UNL1 -0.2134 10 C -3.7525 0.6756 0.0232 C.ar 1 UNL1 -0.3206 11 C -3.4808 -0.6991 0.0803 C.ar 1 UNL1 0.3915 12 C -6.1629 -1.2724 -1.3710 C.3 1 UNL1 -0.4983 13 C -6.5175 -2.3691 0.8823 C.3 1 UNL1 -0.4868 14 C -2.6740 1.5529 -0.1267 C.ar 1 UNL1 0.4419 15 C -1.3423 1.0828 -0.2105 C.ar 1 UNL1 -0.4822 16 C -2.1737 -1.2146 0.0105 C.ar 1 UNL1 -0.4301 17 C -1.1386 -0.3023 -0.1324 C.ar 1 UNL1 0.3605 18 C -0.2131 1.9789 -0.3639 C.ar 1 UNL1 0.5480 19 C 1.0983 1.3304 -0.4121 C.ar 1 UNL1 -0.2553 20 C 1.1840 -0.0143 -0.3339 C.ar 1 UNL1 0.2943 21 C 2.3054 2.2040 -0.5334 C.3 1 UNL1 -0.2336 22 C 2.3895 -0.8346 -0.3758 C.ar 1 UNL1 -0.2306 23 C 3.1978 2.0506 0.6571 C.2 1 UNL1 -0.2133 24 C 2.8948 -1.4140 0.8037 C.ar 1 UNL1 0.3895 25 C 3.0772 -1.0341 -1.5732 C.ar 1 UNL1 0.0275 26 C 4.5215 1.8566 0.6033 C.2 1 UNL1 0.0384 27 C 4.0681 -2.1678 0.8127 C.ar 1 UNL1 -0.4256 28 C 4.2511 -1.7792 -1.6054 C.ar 1 UNL1 -0.3965 29 C 4.7272 -2.3287 -0.4077 C.ar 1 UNL1 0.3853 30 C 5.3319 1.7063 1.8504 C.3 1 UNL1 -0.4549 31 C 5.2931 1.7620 -0.6722 C.3 1 UNL1 -0.4568 32 H -5.8371 0.0515 1.8546 H 1 UNL1 0.1587 33 H -7.1109 0.4062 0.6813 H 1 UNL1 0.1499 34 H -5.1711 2.1141 0.7472 H 1 UNL1 0.1610 35 H -5.5302 1.4865 -0.8599 H 1 UNL1 0.1480 36 H -5.5740 -0.5345 -1.9322 H 1 UNL1 0.1678 37 H -5.9440 -2.2532 -1.8115 H 1 UNL1 0.1613 38 H -7.2217 -1.0549 -1.5396 H 1 UNL1 0.1546 39 H -6.2629 -3.3525 0.4655 H 1 UNL1 0.1639 40 H -6.2125 -2.3852 1.9362 H 1 UNL1 0.1623 41 H -7.6049 -2.2564 0.8417 H 1 UNL1 0.1553 42 H -1.9943 -2.2822 0.0682 H 1 UNL1 0.1988 43 H 2.8364 1.9866 -1.4837 H 1 UNL1 0.1461 44 H 1.9970 3.2773 -0.6166 H 1 UNL1 0.1822 45 H -2.0839 3.4009 -0.2980 H 1 UNL1 0.3888 46 H 2.6730 2.1118 1.6102 H 1 UNL1 0.1565 47 H 2.6857 -0.5953 -2.4953 H 1 UNL1 0.1621 48 H 4.4686 -2.6120 1.7159 H 1 UNL1 0.1891 49 H 4.7822 -1.9320 -2.5366 H 1 UNL1 0.1686 50 H 5.8695 0.7479 1.8581 H 1 UNL1 0.1518 51 H 4.7199 1.7427 2.7610 H 1 UNL1 0.1515 52 H 6.0822 2.5050 1.9328 H 1 UNL1 0.1535 53 H 4.9866 0.8780 -1.2522 H 1 UNL1 0.1564 54 H 5.1342 2.6459 -1.3053 H 1 UNL1 0.1555 55 H 6.3738 1.6763 -0.5073 H 1 UNL1 0.1461 56 H 2.5803 -1.6027 2.7244 H 1 UNL1 0.3323 57 H 6.2975 -3.1526 -1.2390 H 1 UNL1 0.3326 @BOND 1 49 28 1 2 47 25 1 3 36 12 1 4 37 12 1 5 28 25 ar 6 28 29 ar 7 25 22 ar 8 38 12 1 9 43 21 1 10 12 7 1 11 54 31 1 12 53 31 1 13 57 6 1 14 35 9 1 15 31 55 1 16 31 26 1 17 44 21 1 18 21 19 1 19 21 23 1 20 4 18 2 21 19 18 ar 22 19 20 ar 23 29 6 1 24 29 27 ar 25 22 20 1 26 22 24 ar 27 18 15 ar 28 20 2 ar 29 45 3 1 30 15 17 ar 31 15 14 ar 32 2 17 ar 33 3 14 1 34 17 16 ar 35 14 10 ar 36 16 42 1 37 16 11 ar 38 10 11 ar 39 10 9 1 40 11 1 1 41 7 1 1 42 7 8 1 43 7 13 1 44 9 34 1 45 9 8 1 46 39 13 1 47 26 23 2 48 26 30 1 49 23 46 1 50 33 8 1 51 8 32 1 52 24 27 ar 53 24 5 1 54 27 48 1 55 41 13 1 56 13 40 1 57 30 50 1 58 30 52 1 59 30 51 1 60 5 56 1