@MOLECULE 6-[(1e)-3-hydroxy-3-methyl-1-buten-1-yl]-5-methoxy-2,2-dimethyl-2h,8h-pyrano[2,3-f]chromen-8-one 47 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.3495 -0.2043 -0.2344 O.3 1 UNL1 -0.3576 2 O 0.8557 -2.2575 0.2812 O.2 1 UNL1 -0.3610 3 O 0.5036 2.4862 0.3093 O.3 1 UNL1 -0.3331 4 O 4.8884 1.8350 -1.2420 O.3 1 UNL1 -0.5799 5 O 1.1296 -4.4146 0.3021 O.2 1 UNL1 -0.4219 6 C -4.2365 0.9519 -0.2859 C.3 1 UNL1 0.3367 7 C -2.0404 -0.0531 -0.0456 C.ar 1 UNL1 0.3925 8 C -1.4100 1.1883 0.0842 C.ar 1 UNL1 -0.3239 9 C -1.3094 -1.2623 0.0281 C.ar 1 UNL1 -0.3552 10 C -3.5515 2.2711 -0.1524 C.2 1 UNL1 -0.2999 11 C -0.0113 1.2270 0.2660 C.ar 1 UNL1 0.3658 12 C 0.7650 0.0672 0.2947 C.ar 1 UNL1 -0.2728 13 C -2.2271 2.3774 0.0198 C.2 1 UNL1 -0.0398 14 C 0.0820 -1.1647 0.2016 C.ar 1 UNL1 0.3857 15 C -5.1970 0.7025 0.8780 C.3 1 UNL1 -0.4882 16 C -4.9077 0.8055 -1.6519 C.3 1 UNL1 -0.4859 17 C 2.2200 0.0352 0.3415 C.2 1 UNL1 -0.1306 18 C 4.4914 0.7454 -0.4161 C.3 1 UNL1 0.3420 19 C -1.9061 -2.5582 -0.0735 C.ar 1 UNL1 0.0787 20 C 2.9903 0.8254 -0.4135 C.2 1 UNL1 -0.1730 21 C -1.1299 -3.6617 0.0072 C.ar 1 UNL1 -0.3941 22 C 4.9737 -0.5637 -1.0489 C.3 1 UNL1 -0.5021 23 C 5.0878 0.9612 0.9806 C.3 1 UNL1 -0.5025 24 C 0.2978 -3.5576 0.1968 C.ar 1 UNL1 0.6099 25 C 1.2794 2.7962 1.4654 C.3 1 UNL1 -0.1893 26 H -4.2071 3.1347 -0.2071 H 1 UNL1 0.1639 27 H -1.7206 3.3406 0.1121 H 1 UNL1 0.1681 28 H -4.6831 0.8063 1.8424 H 1 UNL1 0.1645 29 H -6.0316 1.4106 0.8646 H 1 UNL1 0.1578 30 H -5.6135 -0.3117 0.8397 H 1 UNL1 0.1623 31 H -5.7333 1.5144 -1.7687 H 1 UNL1 0.1576 32 H -4.1903 0.9866 -2.4638 H 1 UNL1 0.1680 33 H -5.3075 -0.2065 -1.7928 H 1 UNL1 0.1623 34 H 2.6436 -0.7307 0.9988 H 1 UNL1 0.1633 35 H -2.9897 -2.6180 -0.2160 H 1 UNL1 0.1668 36 H 2.5795 1.5797 -1.0903 H 1 UNL1 0.1820 37 H -1.5245 -4.6728 -0.0641 H 1 UNL1 0.1910 38 H 4.6195 -0.6413 -2.0859 H 1 UNL1 0.1674 39 H 6.0641 -0.6359 -1.0626 H 1 UNL1 0.1453 40 H 4.5858 -1.4357 -0.5082 H 1 UNL1 0.1670 41 H 4.8022 1.9452 1.3713 H 1 UNL1 0.1575 42 H 4.7386 0.2013 1.6873 H 1 UNL1 0.1582 43 H 6.1809 0.9214 0.9622 H 1 UNL1 0.1477 44 H 1.6235 3.8147 1.2412 H 1 UNL1 0.1522 45 H 2.1348 2.1236 1.5839 H 1 UNL1 0.1495 46 H 0.6395 2.7804 2.3523 H 1 UNL1 0.1314 47 H 5.8502 1.8339 -1.3876 H 1 UNL1 0.3158 @BOND 1 32 16 1 2 38 22 1 3 33 16 1 4 31 16 1 5 16 6 1 6 47 4 1 7 4 18 1 8 36 20 1 9 39 22 1 10 22 40 1 11 22 18 1 12 18 20 1 13 18 23 1 14 20 17 2 15 6 1 1 16 6 10 1 17 6 15 1 18 1 7 1 19 35 19 1 20 26 10 1 21 10 13 2 22 19 21 ar 23 19 9 ar 24 37 21 1 25 7 9 ar 26 7 8 ar 27 21 24 ar 28 13 8 1 29 13 27 1 30 9 14 ar 31 8 11 ar 32 24 2 ar 33 24 5 2 34 14 2 ar 35 14 12 ar 36 11 12 ar 37 11 3 1 38 12 17 1 39 3 25 1 40 17 34 1 41 30 15 1 42 29 15 1 43 15 28 1 44 43 23 1 45 23 41 1 46 23 42 1 47 44 25 1 48 25 45 1 49 25 46 1