@MOLECULE 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4h-chromen-4-one 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2158 0.9524 0.1261 O.2 1 UNL1 -0.2188 2 O 1.4231 -2.2570 0.2164 O.3 1 UNL1 -0.2866 3 O -4.5079 2.5550 -0.3073 O.3 1 UNL1 -0.2825 4 O -3.8791 -2.1861 0.0104 O.3 1 UNL1 -0.4844 5 O -1.3663 -2.9789 0.2169 O.2 1 UNL1 -0.5369 6 O -5.6088 -0.0964 -0.2567 O.3 1 UNL1 -0.4562 7 O 5.4794 -0.0718 -1.0259 O.3 1 UNL1 -0.3425 8 O 5.8242 2.1818 0.4090 O.3 1 UNL1 -0.4469 9 C -1.9694 -0.7196 0.0715 C.ar 1 UNL1 -0.4407 10 C -1.5331 0.6127 0.0482 C.ar 1 UNL1 0.3247 11 C 0.7137 -0.0579 0.1972 C.ar 1 UNL1 0.1827 12 C 0.3828 -1.3754 0.2210 C.ar 1 UNL1 -0.0598 13 C -1.0155 -1.8075 0.1726 C.ar 1 UNL1 0.5129 14 C 2.0490 0.5215 0.2209 C.ar 1 UNL1 -0.0652 15 C -3.3572 -0.9515 -0.0210 C.ar 1 UNL1 0.3437 16 C -2.4020 1.6894 -0.0677 C.ar 1 UNL1 -0.3899 17 C -3.7803 1.4323 -0.1790 C.ar 1 UNL1 0.3210 18 C -4.2608 0.1100 -0.1534 C.ar 1 UNL1 -0.0435 19 C 3.0923 -0.1236 -0.4593 C.ar 1 UNL1 -0.1730 20 C 2.2787 1.7063 0.9241 C.ar 1 UNL1 -0.0987 21 C 4.3665 0.4174 -0.4041 C.ar 1 UNL1 0.0853 22 C 3.5573 2.2561 0.9765 C.ar 1 UNL1 -0.2204 23 C 4.6001 1.6090 0.3188 C.ar 1 UNL1 0.2297 24 C 1.2075 -3.4476 0.9728 C.3 1 UNL1 -0.1970 25 C -5.9235 2.4334 -0.4243 C.3 1 UNL1 -0.1910 26 C 5.3982 -1.4097 -1.5003 C.3 1 UNL1 -0.1853 27 H -2.0347 2.7137 -0.0854 H 1 UNL1 0.2025 28 H 2.8929 -1.0365 -1.0220 H 1 UNL1 0.1835 29 H 1.4558 2.2021 1.4412 H 1 UNL1 0.1699 30 H 3.7554 3.1756 1.5244 H 1 UNL1 0.1808 31 H -3.1263 -2.8812 0.0818 H 1 UNL1 0.3956 32 H -5.7969 -1.0735 -0.2617 H 1 UNL1 0.3406 33 H 0.5960 -4.1466 0.3880 H 1 UNL1 0.1558 34 H 0.7416 -3.2423 1.9392 H 1 UNL1 0.1366 35 H 2.2273 -3.8271 1.1030 H 1 UNL1 0.1391 36 H -6.1922 1.8701 -1.3249 H 1 UNL1 0.1511 37 H -6.2346 3.4823 -0.5082 H 1 UNL1 0.1458 38 H -6.3476 1.9673 0.4721 H 1 UNL1 0.1508 39 H 6.5084 1.6441 -0.0708 H 1 UNL1 0.3401 40 H 4.7089 -1.4723 -2.3491 H 1 UNL1 0.1380 41 H 5.1091 -2.0982 -0.6999 H 1 UNL1 0.1376 42 H 6.4296 -1.6030 -1.8250 H 1 UNL1 0.1517 @BOND 1 40 26 1 2 42 26 1 3 26 7 1 4 26 41 1 5 36 25 1 6 7 21 1 7 28 19 1 8 37 25 1 9 19 21 ar 10 19 14 ar 11 25 3 1 12 25 38 1 13 21 23 ar 14 3 17 1 15 32 6 1 16 6 18 1 17 17 18 ar 18 17 16 ar 19 18 15 ar 20 27 16 1 21 39 8 1 22 16 10 ar 23 15 4 1 24 15 9 ar 25 4 31 1 26 10 9 ar 27 10 1 ar 28 9 13 ar 29 1 11 ar 30 13 5 2 31 13 12 ar 32 11 14 1 33 11 12 ar 34 2 12 1 35 2 24 1 36 14 20 ar 37 23 8 1 38 23 22 ar 39 33 24 1 40 20 22 ar 41 20 29 1 42 24 35 1 43 24 34 1 44 22 30 1