@MOLECULE 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-4h-chromen-4-one 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7758 2.0412 -0.2766 O.2 1 UNL1 -0.2523 2 O -0.3665 -1.7777 0.0401 O.2 1 UNL1 -0.5091 3 O -2.8460 -2.6118 0.3260 O.3 1 UNL1 -0.4556 4 O 4.4068 0.4610 1.6984 O.3 1 UNL1 -0.3014 5 O -6.1945 0.7239 0.2583 O.3 1 UNL1 -0.4502 6 O 5.5895 -0.3984 -0.7720 O.3 1 UNL1 -0.4785 7 C 0.0844 0.5262 -0.2990 C.ar 1 UNL1 -0.2556 8 C -2.2011 -0.3226 0.0220 C.ar 1 UNL1 -0.4932 9 C 1.5213 0.2922 -0.4365 C.ar 1 UNL1 0.0248 10 C -0.7847 -0.6354 -0.0665 C.ar 1 UNL1 0.5430 11 C -2.6460 1.0025 -0.0845 C.ar 1 UNL1 0.3710 12 C -3.1792 -1.3281 0.2169 C.ar 1 UNL1 0.4779 13 C -0.4491 1.7584 -0.3795 C.ar 1 UNL1 0.1453 14 C 2.3553 0.4734 0.6671 C.ar 1 UNL1 -0.2019 15 C -3.9827 1.3670 -0.0061 C.ar 1 UNL1 -0.4251 16 C 2.0413 -0.1312 -1.6608 C.ar 1 UNL1 -0.1400 17 C -4.5401 -1.0130 0.3009 C.ar 1 UNL1 -0.4912 18 C 3.7269 0.2320 0.5468 C.ar 1 UNL1 0.1684 19 C -4.9075 0.3289 0.1886 C.ar 1 UNL1 0.4331 20 C 3.4077 -0.3681 -1.7908 C.ar 1 UNL1 -0.2357 21 C 4.2443 -0.1854 -0.6929 C.ar 1 UNL1 0.1542 22 C 5.7842 0.1091 1.7325 C.3 1 UNL1 -0.1920 23 H 0.0645 2.7059 -0.5371 H 1 UNL1 0.1840 24 H 1.9515 0.7832 1.6300 H 1 UNL1 0.1790 25 H -4.3089 2.3983 -0.0892 H 1 UNL1 0.2034 26 H 1.3784 -0.2868 -2.5097 H 1 UNL1 0.1619 27 H -5.2670 -1.8025 0.4501 H 1 UNL1 0.1946 28 H 3.8152 -0.6999 -2.7420 H 1 UNL1 0.1588 29 H -1.8251 -2.7305 0.2631 H 1 UNL1 0.3892 30 H -6.8191 -0.0348 0.3977 H 1 UNL1 0.3368 31 H 5.8473 -0.7476 -1.6594 H 1 UNL1 0.3261 32 H 6.3618 0.7484 1.0559 H 1 UNL1 0.1424 33 H 5.9285 -0.9492 1.4918 H 1 UNL1 0.1436 34 H 6.0454 0.3108 2.7792 H 1 UNL1 0.1443 @BOND 1 28 20 1 2 26 16 1 3 20 16 ar 4 20 21 ar 5 16 9 ar 6 31 6 1 7 6 21 1 8 21 18 ar 9 23 13 1 10 9 7 1 11 9 14 ar 12 13 7 ar 13 13 1 ar 14 7 10 ar 15 1 11 ar 16 25 15 1 17 11 15 ar 18 11 8 ar 19 10 8 ar 20 10 2 2 21 15 19 ar 22 8 12 ar 23 19 5 1 24 19 17 ar 25 12 17 ar 26 12 3 1 27 5 30 1 28 29 3 1 29 17 27 1 30 18 14 ar 31 18 4 1 32 14 24 1 33 32 22 1 34 33 22 1 35 4 22 1 36 22 34 1