@MOLECULE 5,7,3',4'-tetrahydroxy-3-methoxy-5'-isoprenylflavone 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.5469 -0.9865 -0.0826 O.2 1 UNL1 -0.2130 2 O -0.5588 2.3899 -0.8564 O.3 1 UNL1 -0.2578 3 O 4.5170 -1.2043 -1.2350 O.3 1 UNL1 -0.4991 4 O 2.7383 -1.2271 -3.2677 O.3 1 UNL1 -0.4425 5 O -3.3463 2.6909 -0.1979 O.2 1 UNL1 -0.5343 6 O -5.6179 1.5308 0.4407 O.3 1 UNL1 -0.4592 7 O -5.4946 -3.1594 1.0034 O.3 1 UNL1 -0.4531 8 C 0.5757 -0.2079 -0.5559 C.ar 1 UNL1 -0.0226 9 C 2.8012 -0.5060 0.3521 C.ar 1 UNL1 -0.0653 10 C -0.8273 0.1527 -0.3512 C.ar 1 UNL1 0.1620 11 C 1.4536 -0.1804 0.5270 C.ar 1 UNL1 -0.1500 12 C 3.7500 -0.4941 1.5110 C.3 1 UNL1 -0.2712 13 C -3.5331 0.3814 0.1449 C.ar 1 UNL1 -0.4949 14 C -1.3776 1.3865 -0.4332 C.ar 1 UNL1 -0.0499 15 C -2.8785 -0.8604 0.1698 C.ar 1 UNL1 0.3662 16 C 3.2396 -0.8521 -0.9258 C.ar 1 UNL1 0.1402 17 C 1.0047 -0.5661 -1.8362 C.ar 1 UNL1 -0.1783 18 C -2.8067 1.5930 -0.1714 C.ar 1 UNL1 0.5088 19 C 2.3463 -0.8860 -2.0152 C.ar 1 UNL1 0.2049 20 C -4.9205 0.3963 0.4365 C.ar 1 UNL1 0.4824 21 C 4.8232 0.5272 1.3057 C.2 1 UNL1 -0.2442 22 C -3.5305 -2.0546 0.4557 C.ar 1 UNL1 -0.4251 23 C -4.9024 -1.9783 0.7313 C.ar 1 UNL1 0.4373 24 C -5.6183 -0.7779 0.7331 C.ar 1 UNL1 -0.4957 25 C 6.1371 0.3274 1.4740 C.2 1 UNL1 0.0504 26 C 7.1140 1.4359 1.2434 C.3 1 UNL1 -0.4604 27 C 6.7578 -0.9621 1.8937 C.3 1 UNL1 -0.4640 28 C -0.7110 3.6225 -0.1520 C.3 1 UNL1 -0.2100 29 H 1.0867 0.0968 1.5143 H 1 UNL1 0.1652 30 H 3.2158 -0.2654 2.4615 H 1 UNL1 0.1655 31 H 4.1599 -1.5166 1.6669 H 1 UNL1 0.1569 32 H 0.3190 -0.5909 -2.6820 H 1 UNL1 0.1878 33 H 4.4403 1.5039 1.0038 H 1 UNL1 0.1623 34 H -3.0096 -3.0068 0.4645 H 1 UNL1 0.2049 35 H -6.6790 -0.7357 0.9488 H 1 UNL1 0.1922 36 H 5.1562 -0.9389 -0.5221 H 1 UNL1 0.3531 37 H 6.6614 2.3091 0.7554 H 1 UNL1 0.1568 38 H 7.5411 1.7872 2.1945 H 1 UNL1 0.1609 39 H 7.9532 1.1134 0.6115 H 1 UNL1 0.1579 40 H 6.0315 -1.6951 2.2684 H 1 UNL1 0.1549 41 H 7.3005 -1.4337 1.0613 H 1 UNL1 0.1590 42 H 7.4892 -0.8082 2.7018 H 1 UNL1 0.1626 43 H 3.7157 -1.4162 -3.2896 H 1 UNL1 0.3413 44 H -0.6894 3.4751 0.9295 H 1 UNL1 0.1297 45 H -1.6358 4.1268 -0.4604 H 1 UNL1 0.1591 46 H 0.1690 4.1826 -0.4893 H 1 UNL1 0.1445 47 H -5.0166 2.3292 0.2022 H 1 UNL1 0.3874 48 H -6.4652 -3.0658 1.1869 H 1 UNL1 0.3361 @BOND 1 43 4 1 2 4 19 1 3 32 17 1 4 19 17 ar 5 19 16 ar 6 17 8 ar 7 3 16 1 8 3 36 1 9 16 9 ar 10 2 14 1 11 2 28 1 12 8 10 1 13 8 11 ar 14 46 28 1 15 45 28 1 16 14 10 ar 17 14 18 ar 18 10 1 ar 19 5 18 2 20 18 13 ar 21 28 44 1 22 1 15 ar 23 13 15 ar 24 13 20 ar 25 15 22 ar 26 47 6 1 27 9 11 ar 28 9 12 1 29 20 6 1 30 20 24 ar 31 22 34 1 32 22 23 ar 33 11 29 1 34 39 26 1 35 23 24 ar 36 23 7 1 37 24 35 1 38 37 26 1 39 7 48 1 40 33 21 1 41 41 27 1 42 26 25 1 43 26 38 1 44 21 25 2 45 21 12 1 46 25 27 1 47 12 31 1 48 12 30 1 49 27 40 1 50 27 42 1