@MOLECULE fisetin 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.7568 0.2472 0.1042 C.ar 1 UNL1 -0.3208 2 C -3.9606 -0.8739 -0.0145 C.ar 1 UNL1 0.0506 3 C -2.5584 -0.7555 -0.0431 C.ar 1 UNL1 -0.3456 4 C -1.9829 0.5172 0.0455 C.ar 1 UNL1 0.3336 5 C -2.7545 1.6791 0.1689 C.ar 1 UNL1 -0.4297 6 C -4.1362 1.5109 0.1971 C.ar 1 UNL1 0.3881 7 C -1.6999 -1.9215 -0.1591 C.ar 1 UNL1 0.4618 8 C -0.2576 -1.6040 -0.1737 C.ar 1 UNL1 -0.0042 9 C 0.2094 -0.3371 -0.0940 C.ar 1 UNL1 0.1426 10 C 1.5840 0.1373 -0.1100 C.ar 1 UNL1 -0.0393 11 C 1.8791 1.4041 -0.6243 C.ar 1 UNL1 -0.1071 12 C 3.1889 1.8780 -0.6366 C.ar 1 UNL1 -0.2173 13 C 4.2070 1.0705 -0.1334 C.ar 1 UNL1 0.2283 14 C 3.9059 -0.2087 0.3762 C.ar 1 UNL1 0.1222 15 C 2.6037 -0.6811 0.3964 C.ar 1 UNL1 -0.1873 16 O -0.6441 0.7437 0.0233 O.2 1 UNL1 -0.2363 17 O -2.0805 -3.0705 -0.2412 O.2 1 UNL1 -0.4709 18 O 4.9758 -0.9123 0.8478 O.3 1 UNL1 -0.4898 19 O 5.4638 1.5719 -0.1624 O.3 1 UNL1 -0.4440 20 O 0.6224 -2.6336 -0.2770 O.3 1 UNL1 -0.4311 21 O -4.9868 2.5514 0.3151 O.3 1 UNL1 -0.4557 22 H -5.8421 0.1834 0.1291 H 1 UNL1 0.1868 23 H -4.4023 -1.8747 -0.0878 H 1 UNL1 0.1768 24 H -2.2816 2.6507 0.2401 H 1 UNL1 0.1878 25 H 1.0799 2.0303 -1.0245 H 1 UNL1 0.1669 26 H 3.4294 2.8628 -1.0335 H 1 UNL1 0.1791 27 H 2.3722 -1.6689 0.7967 H 1 UNL1 0.1854 28 H 4.7222 -1.8397 1.0784 H 1 UNL1 0.3415 29 H 6.1165 0.9172 0.2094 H 1 UNL1 0.3438 30 H 0.1115 -3.4931 -0.3732 H 1 UNL1 0.3485 31 H -4.5210 3.4233 0.3852 H 1 UNL1 0.3353 @BOND 1 26 12 1 2 25 11 1 3 12 11 ar 4 12 13 ar 5 11 10 ar 6 30 20 1 7 20 8 1 8 17 7 2 9 8 7 ar 10 8 9 ar 11 19 13 1 12 19 29 1 13 7 3 ar 14 13 14 ar 15 10 9 1 16 10 15 ar 17 9 16 ar 18 23 2 1 19 3 2 ar 20 3 4 ar 21 2 1 ar 22 16 4 ar 23 4 5 ar 24 1 22 1 25 1 6 ar 26 5 6 ar 27 5 24 1 28 6 21 1 29 21 31 1 30 14 15 ar 31 14 18 1 32 15 27 1 33 18 28 1