@MOLECULE 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-3,4-dihydro-2h,6h-pyrano[3,2-b]xanthen-6-one 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.7008 -1.1640 0.4792 O.3 1 UNL1 -0.3500 2 O -0.1487 -1.9233 0.4209 O.2 1 UNL1 -0.2476 3 O -1.8968 2.1985 -1.3456 O.3 1 UNL1 -0.4701 4 O 0.6513 1.6959 -1.3158 O.2 1 UNL1 -0.5699 5 O 5.1659 -0.8305 -0.3202 O.3 1 UNL1 -0.3129 6 O 4.2880 -3.2130 0.6719 O.3 1 UNL1 -0.4370 7 C -5.8638 -0.3025 0.4021 C.3 1 UNL1 0.3179 8 C -5.7833 0.6027 -0.8299 C.3 1 UNL1 -0.3403 9 C -4.5040 1.4455 -0.8032 C.3 1 UNL1 -0.2145 10 C -3.3327 0.5925 -0.4624 C.ar 1 UNL1 -0.3235 11 C -3.5067 -0.6564 0.1479 C.ar 1 UNL1 0.3927 12 C -5.9300 0.4703 1.7162 C.3 1 UNL1 -0.4982 13 C -6.9970 -1.3226 0.2829 C.3 1 UNL1 -0.4866 14 C -2.0295 1.0061 -0.7619 C.ar 1 UNL1 0.4474 15 C -0.9064 0.1974 -0.4627 C.ar 1 UNL1 -0.4881 16 C -2.4231 -1.5074 0.4422 C.ar 1 UNL1 -0.4301 17 C -1.1554 -1.0508 0.1230 C.ar 1 UNL1 0.3739 18 C 0.4498 0.6225 -0.7569 C.ar 1 UNL1 0.5806 19 C 1.5144 -0.3037 -0.3702 C.ar 1 UNL1 -0.3511 20 C 1.1417 -1.5448 0.1730 C.ar 1 UNL1 0.3267 21 C 2.8901 -0.0277 -0.5287 C.ar 1 UNL1 0.1880 22 C 3.4318 1.2983 -0.9592 C.3 1 UNL1 -0.2889 23 C 3.8061 -1.0344 -0.2254 C.ar 1 UNL1 -0.0837 24 C 2.0496 -2.5408 0.5358 C.ar 1 UNL1 -0.3668 25 C 3.3960 -2.2658 0.3243 C.ar 1 UNL1 0.3318 26 C 4.1828 1.8975 0.1917 C.2 1 UNL1 -0.2323 27 C 3.6102 2.5881 1.1871 C.2 1 UNL1 0.0722 28 C 5.6732 -1.1755 -1.6097 C.3 1 UNL1 -0.2146 29 C 4.4268 3.1389 2.3114 C.3 1 UNL1 -0.4581 30 C 2.1444 2.8443 1.2748 C.3 1 UNL1 -0.4596 31 H -6.6752 1.2515 -0.8860 H 1 UNL1 0.1513 32 H -5.7981 -0.0173 -1.7490 H 1 UNL1 0.1590 33 H -4.5966 2.2815 -0.0781 H 1 UNL1 0.1490 34 H -4.3511 1.9381 -1.7892 H 1 UNL1 0.1612 35 H -5.9545 -0.2117 2.5757 H 1 UNL1 0.1624 36 H -5.0498 1.1138 1.8478 H 1 UNL1 0.1678 37 H -6.8197 1.1056 1.7645 H 1 UNL1 0.1558 38 H -6.9023 -1.9222 -0.6315 H 1 UNL1 0.1628 39 H -6.9855 -2.0276 1.1247 H 1 UNL1 0.1648 40 H -7.9737 -0.8295 0.2696 H 1 UNL1 0.1566 41 H -2.5900 -2.4760 0.9007 H 1 UNL1 0.2004 42 H 4.1016 1.1760 -1.8379 H 1 UNL1 0.1556 43 H 2.6397 1.9970 -1.3163 H 1 UNL1 0.2000 44 H 1.7223 -3.4830 0.9676 H 1 UNL1 0.2046 45 H -0.9041 2.3949 -1.5335 H 1 UNL1 0.3884 46 H 5.2527 1.7036 0.1753 H 1 UNL1 0.1534 47 H 5.2225 -2.8681 0.5725 H 1 UNL1 0.3455 48 H 5.2169 -0.5571 -2.3889 H 1 UNL1 0.1370 49 H 5.5130 -2.2360 -1.8215 H 1 UNL1 0.1272 50 H 6.7417 -0.9477 -1.5175 H 1 UNL1 0.1470 51 H 5.4943 2.9019 2.2178 H 1 UNL1 0.1498 52 H 4.3403 4.2331 2.3650 H 1 UNL1 0.1546 53 H 4.0896 2.7332 3.2762 H 1 UNL1 0.1572 54 H 1.7317 3.1880 0.3115 H 1 UNL1 0.1723 55 H 1.6018 1.9214 1.5327 H 1 UNL1 0.1618 56 H 1.8847 3.5983 2.0261 H 1 UNL1 0.1469 @BOND 1 48 28 1 2 42 22 1 3 49 28 1 4 34 9 1 5 32 8 1 6 28 50 1 7 28 5 1 8 45 3 1 9 3 14 1 10 43 22 1 11 4 18 2 12 22 21 1 13 22 26 1 14 31 8 1 15 8 9 1 16 8 7 1 17 9 10 1 18 9 33 1 19 14 15 ar 20 14 10 ar 21 18 15 ar 22 18 19 ar 23 38 13 1 24 21 19 ar 25 21 23 ar 26 15 17 ar 27 10 11 ar 28 19 20 ar 29 5 23 1 30 23 25 ar 31 17 2 ar 32 17 16 ar 33 11 16 ar 34 11 1 1 35 20 2 ar 36 20 24 ar 37 46 26 1 38 26 27 2 39 40 13 1 40 13 7 1 41 13 39 1 42 54 30 1 43 25 24 ar 44 25 6 1 45 7 1 1 46 7 12 1 47 16 41 1 48 24 44 1 49 47 6 1 50 27 30 1 51 27 29 1 52 30 55 1 53 30 56 1 54 12 37 1 55 12 36 1 56 12 35 1 57 51 29 1 58 29 52 1 59 29 53 1