@MOLECULE 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-10-(3-methyl-2-buten-1-yl)-2h,6h-pyrano[3,2-g]chromen-6-one 58 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.0901 0.5273 0.4954 O.3 1 UNL1 -0.3388 2 O 0.0172 -1.6048 0.8417 O.2 1 UNL1 -0.2379 3 O -0.2020 2.9331 -0.7404 O.3 1 UNL1 -0.4592 4 O 2.0714 1.6605 -0.4819 O.2 1 UNL1 -0.5417 5 O 6.7227 1.0542 0.5898 O.3 1 UNL1 -0.3488 6 O 7.6169 -1.1945 -0.6136 O.3 1 UNL1 -0.4551 7 C -4.9817 1.5171 -0.0968 C.3 1 UNL1 0.3264 8 C -2.7740 0.6216 0.3107 C.ar 1 UNL1 0.3957 9 C -2.0373 -0.5313 0.6658 C.ar 1 UNL1 -0.2615 10 C -2.1571 1.7961 -0.1607 C.ar 1 UNL1 -0.3429 11 C -0.6612 -0.4634 0.5017 C.ar 1 UNL1 0.3402 12 C 0.0135 0.6723 0.0254 C.ar 1 UNL1 -0.4869 13 C -4.3236 2.8230 -0.3986 C.2 1 UNL1 -0.3002 14 C -0.7621 1.8089 -0.2981 C.ar 1 UNL1 0.4627 15 C -2.9900 2.9406 -0.4478 C.2 1 UNL1 -0.0293 16 C -2.7313 -1.7662 1.1377 C.3 1 UNL1 -0.2207 17 C -6.0604 1.6497 0.9785 C.3 1 UNL1 -0.4817 18 C -5.4961 0.8526 -1.3747 C.3 1 UNL1 -0.4959 19 C 1.4565 0.6652 -0.1222 C.ar 1 UNL1 0.5549 20 C 2.1099 -0.6117 0.1975 C.ar 1 UNL1 -0.2518 21 C -3.2580 -2.5255 -0.0408 C.2 1 UNL1 -0.2202 22 C 1.3616 -1.6327 0.6621 C.ar 1 UNL1 0.1382 23 C 3.5485 -0.7461 -0.0034 C.ar 1 UNL1 0.0065 24 C -4.5462 -2.8333 -0.2377 C.2 1 UNL1 0.0504 25 C 4.4047 0.2871 0.4025 C.ar 1 UNL1 -0.1830 26 C 4.0679 -1.8956 -0.6050 C.ar 1 UNL1 -0.1541 27 C -4.9843 -3.5839 -1.4541 C.3 1 UNL1 -0.4545 28 C -5.6383 -2.4693 0.7136 C.3 1 UNL1 -0.4599 29 C 5.7695 0.1534 0.2031 C.ar 1 UNL1 0.0940 30 C 5.4405 -2.0380 -0.8004 C.ar 1 UNL1 -0.2058 31 C 6.2895 -1.0117 -0.3985 C.ar 1 UNL1 0.2071 32 C 6.2953 2.4096 0.6599 C.3 1 UNL1 -0.1860 33 H -4.9972 3.6493 -0.5934 H 1 UNL1 0.1630 34 H -2.4860 3.8781 -0.6904 H 1 UNL1 0.1683 35 H -2.0433 -2.4169 1.7232 H 1 UNL1 0.1566 36 H -3.5400 -1.4967 1.8523 H 1 UNL1 0.1564 37 H -6.8853 2.2827 0.6358 H 1 UNL1 0.1590 38 H -6.4767 0.6719 1.2504 H 1 UNL1 0.1591 39 H -5.6492 2.0943 1.8946 H 1 UNL1 0.1657 40 H -6.3352 1.4062 -1.8056 H 1 UNL1 0.1580 41 H -4.7045 0.7938 -2.1337 H 1 UNL1 0.1670 42 H -5.8263 -0.1767 -1.1796 H 1 UNL1 0.1660 43 H -2.4921 -2.8067 -0.7612 H 1 UNL1 0.1502 44 H 1.6971 -2.6236 0.9656 H 1 UNL1 0.1801 45 H 0.8220 2.8291 -0.7925 H 1 UNL1 0.3898 46 H 3.9898 1.1872 0.8556 H 1 UNL1 0.1829 47 H 3.3989 -2.6845 -0.9430 H 1 UNL1 0.1546 48 H -4.1490 -3.8397 -2.1189 H 1 UNL1 0.1514 49 H -5.4801 -4.5257 -1.1806 H 1 UNL1 0.1529 50 H -5.6987 -2.9951 -2.0464 H 1 UNL1 0.1527 51 H -5.5968 -1.3990 0.9740 H 1 UNL1 0.1647 52 H -6.6379 -2.6649 0.3084 H 1 UNL1 0.1462 53 H -5.5511 -3.0367 1.6511 H 1 UNL1 0.1560 54 H 5.8558 -2.9281 -1.2680 H 1 UNL1 0.1752 55 H 8.1333 -0.3927 -0.3359 H 1 UNL1 0.3386 56 H 7.2439 2.9494 0.7754 H 1 UNL1 0.1479 57 H 5.6566 2.5583 1.5367 H 1 UNL1 0.1351 58 H 5.7821 2.7145 -0.2581 H 1 UNL1 0.1424 @BOND 1 41 18 1 2 48 27 1 3 50 27 1 4 40 18 1 5 27 49 1 6 27 24 1 7 18 42 1 8 18 7 1 9 54 30 1 10 47 26 1 11 30 26 ar 12 30 31 ar 13 45 3 1 14 43 21 1 15 3 14 1 16 34 15 1 17 6 31 1 18 6 55 1 19 26 23 ar 20 33 13 1 21 4 19 2 22 15 13 2 23 15 10 1 24 13 7 1 25 31 29 ar 26 14 10 ar 27 14 12 ar 28 58 32 1 29 24 21 2 30 24 28 1 31 10 8 ar 32 19 12 ar 33 19 20 ar 34 7 1 1 35 7 17 1 36 21 16 1 37 23 20 1 38 23 25 ar 39 12 11 ar 40 20 22 ar 41 29 25 ar 42 29 5 1 43 52 28 1 44 8 1 1 45 8 9 ar 46 25 46 1 47 11 9 ar 48 11 2 ar 49 5 32 1 50 37 17 1 51 32 56 1 52 32 57 1 53 22 2 ar 54 22 44 1 55 9 16 1 56 28 51 1 57 28 53 1 58 17 38 1 59 17 39 1 60 16 35 1 61 16 36 1