@MOLECULE 5-hydroxy-3,3',4',6,7-pentamethoxyflavone 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.1979 -0.9246 -0.0982 O.2 1 UNL1 -0.2237 2 O 1.2689 2.3676 -0.2809 O.3 1 UNL1 -0.2865 3 O -5.6552 -0.1393 0.0134 O.3 1 UNL1 -0.2872 4 O -4.4034 -2.7422 0.1686 O.3 1 UNL1 -0.2869 5 O -3.9979 2.0319 -0.1249 O.3 1 UNL1 -0.4478 6 O -1.5362 2.9384 -0.3092 O.2 1 UNL1 -0.5401 7 O 5.4395 0.4870 0.9590 O.3 1 UNL1 -0.3225 8 O 5.8614 -1.9764 -0.3730 O.3 1 UNL1 -0.3004 9 C -2.0357 0.6558 -0.1341 C.ar 1 UNL1 -0.4745 10 C -1.5329 -0.6524 -0.0764 C.ar 1 UNL1 0.3490 11 C 0.6837 0.1251 -0.2046 C.ar 1 UNL1 0.1949 12 C 0.2859 1.4216 -0.2713 C.ar 1 UNL1 -0.0656 13 C -1.1333 1.7845 -0.2425 C.ar 1 UNL1 0.5166 14 C 2.0440 -0.3933 -0.2015 C.ar 1 UNL1 -0.0686 15 C -3.4390 0.8226 -0.0794 C.ar 1 UNL1 0.4039 16 C -2.3461 -1.7709 0.0208 C.ar 1 UNL1 -0.4129 17 C -4.2937 -0.2859 0.0469 C.ar 1 UNL1 -0.1309 18 C -3.7396 -1.5769 0.0836 C.ar 1 UNL1 0.3381 19 C 3.0648 0.3342 0.4242 C.ar 1 UNL1 -0.1823 20 C 2.3258 -1.6047 -0.8358 C.ar 1 UNL1 -0.0992 21 C 4.3687 -0.1420 0.3928 C.ar 1 UNL1 0.0982 22 C 4.6590 -1.3640 -0.2540 C.ar 1 UNL1 0.1926 23 C 3.6282 -2.0891 -0.8622 C.ar 1 UNL1 -0.2274 24 C 1.0444 3.4420 -1.1931 C.3 1 UNL1 -0.2005 25 C -6.1684 0.5777 1.1379 C.3 1 UNL1 -0.2160 26 C -5.8282 -2.7244 0.1734 C.3 1 UNL1 -0.1912 27 C 5.1907 1.7433 1.5759 C.3 1 UNL1 -0.2010 28 C 7.0060 -1.3312 0.1699 C.3 1 UNL1 -0.1952 29 H -1.9312 -2.7748 0.0538 H 1 UNL1 0.2027 30 H 2.8233 1.2697 0.9307 H 1 UNL1 0.1838 31 H 1.5266 -2.1717 -1.3167 H 1 UNL1 0.1709 32 H 3.8640 -3.0314 -1.3557 H 1 UNL1 0.1774 33 H -3.2739 2.7563 -0.2113 H 1 UNL1 0.3835 34 H 0.3305 4.1519 -0.7569 H 1 UNL1 0.1570 35 H 0.6929 3.0876 -2.1652 H 1 UNL1 0.1345 36 H 2.0421 3.8876 -1.2777 H 1 UNL1 0.1388 37 H -7.2514 0.4737 1.0110 H 1 UNL1 0.1400 38 H -5.8783 1.6331 1.0792 H 1 UNL1 0.1511 39 H -5.8363 0.1359 2.0797 H 1 UNL1 0.1260 40 H -6.2173 -2.2453 -0.7326 H 1 UNL1 0.1526 41 H -6.0671 -3.7955 0.1834 H 1 UNL1 0.1461 42 H -6.2058 -2.2292 1.0727 H 1 UNL1 0.1423 43 H 6.1939 2.0347 1.9145 H 1 UNL1 0.1500 44 H 4.8044 2.4685 0.8524 H 1 UNL1 0.1381 45 H 4.5152 1.6328 2.4304 H 1 UNL1 0.1378 46 H 7.1710 -0.3597 -0.3080 H 1 UNL1 0.1431 47 H 6.9179 -1.2314 1.2568 H 1 UNL1 0.1440 48 H 7.8094 -2.0320 -0.0916 H 1 UNL1 0.1473 @BOND 1 35 24 1 2 32 23 1 3 31 20 1 4 36 24 1 5 24 34 1 6 24 2 1 7 23 20 ar 8 23 22 ar 9 20 14 ar 10 40 26 1 11 8 22 1 12 8 28 1 13 6 13 2 14 46 28 1 15 2 12 1 16 12 13 ar 17 12 11 ar 18 22 21 ar 19 13 9 ar 20 33 5 1 21 11 14 1 22 11 1 ar 23 14 19 ar 24 9 15 ar 25 9 10 ar 26 5 15 1 27 1 10 ar 28 48 28 1 29 15 17 ar 30 10 16 ar 31 3 17 1 32 3 25 1 33 16 29 1 34 16 18 ar 35 17 18 ar 36 18 4 1 37 4 26 1 38 28 47 1 39 26 41 1 40 26 42 1 41 21 19 ar 42 21 7 1 43 19 30 1 44 44 27 1 45 7 27 1 46 37 25 1 47 38 25 1 48 25 39 1 49 27 43 1 50 27 45 1