@MOLECULE 5,7-dihydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,8-trimethoxy-4h-chromen-4-one 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2832 0.6537 0.1380 O.2 1 UNL1 -0.1637 2 O 0.9811 -2.5970 -0.7443 O.3 1 UNL1 -0.2696 3 O -1.7959 2.7908 0.7817 O.3 1 UNL1 -0.2452 4 O -5.7505 0.1796 0.6031 O.3 1 UNL1 -0.2920 5 O -4.2522 -2.0891 -0.0205 O.3 1 UNL1 -0.4458 6 O -4.4988 2.5760 0.7678 O.3 1 UNL1 -0.3995 7 O -1.8514 -3.0930 -0.3884 O.2 1 UNL1 -0.5449 8 O 5.0636 -0.3887 1.5961 O.3 1 UNL1 -0.3236 9 O 1.3692 1.3401 -2.0797 O.3 1 UNL1 -0.4471 10 O 5.8046 1.3961 -0.5586 O.3 1 UNL1 -0.2964 11 C -2.2121 -0.8148 0.0318 C.ar 1 UNL1 -0.4514 12 C -1.6231 0.4459 0.2096 C.ar 1 UNL1 0.2673 13 C 0.5180 -0.4210 -0.1603 C.ar 1 UNL1 0.1923 14 C 0.0497 -1.6786 -0.3586 C.ar 1 UNL1 -0.0576 15 C 1.8980 0.0266 -0.2221 C.ar 1 UNL1 -0.1880 16 C -1.3820 -1.9702 -0.2530 C.ar 1 UNL1 0.5151 17 C -2.3800 1.5961 0.4711 C.ar 1 UNL1 -0.0692 18 C -3.6211 -0.9244 0.1365 C.ar 1 UNL1 0.3911 19 C -4.3972 0.2126 0.3836 C.ar 1 UNL1 -0.1343 20 C -3.7762 1.4668 0.5396 C.ar 1 UNL1 0.3086 21 C 2.3232 0.9246 -1.2148 C.ar 1 UNL1 0.3540 22 C 2.8334 -0.4319 0.7070 C.ar 1 UNL1 -0.0580 23 C 4.1572 -0.0153 0.6341 C.ar 1 UNL1 -0.0112 24 C 3.6426 1.3624 -1.3031 C.ar 1 UNL1 -0.4079 25 C 4.5702 0.8891 -0.3650 C.ar 1 UNL1 0.2875 26 C 0.6949 -3.9487 -0.3915 C.3 1 UNL1 -0.2026 27 C -1.2302 3.4347 -0.3627 C.3 1 UNL1 -0.2245 28 C -6.4926 -0.1831 -0.5625 C.3 1 UNL1 -0.2119 29 C 5.2874 -1.7961 1.6445 C.3 1 UNL1 -0.2042 30 C 6.8154 1.1078 0.4017 C.3 1 UNL1 -0.1898 31 H 2.5223 -1.1211 1.4955 H 1 UNL1 0.1758 32 H 3.9652 2.0569 -2.0721 H 1 UNL1 0.1867 33 H -3.5725 -2.8387 -0.1949 H 1 UNL1 0.3819 34 H -5.4719 2.3419 0.8512 H 1 UNL1 0.3401 35 H 0.3625 -4.0443 0.6445 H 1 UNL1 0.1367 36 H -0.0589 -4.3594 -1.0745 H 1 UNL1 0.1540 37 H 1.6664 -4.4333 -0.5431 H 1 UNL1 0.1378 38 H -0.8519 4.3716 0.0608 H 1 UNL1 0.1427 39 H -1.9954 3.6324 -1.1167 H 1 UNL1 0.1288 40 H -0.4097 2.8389 -0.7785 H 1 UNL1 0.1437 41 H 1.7405 1.9163 -2.7954 H 1 UNL1 0.3305 42 H -6.3028 0.5122 -1.3827 H 1 UNL1 0.1254 43 H -7.5293 -0.1147 -0.2143 H 1 UNL1 0.1420 44 H -6.2577 -1.2120 -0.8594 H 1 UNL1 0.1507 45 H 6.0755 -1.8866 2.4016 H 1 UNL1 0.1455 46 H 5.6291 -2.1728 0.6764 H 1 UNL1 0.1311 47 H 4.3847 -2.3227 1.9684 H 1 UNL1 0.1327 48 H 6.5074 1.4250 1.4044 H 1 UNL1 0.1498 49 H 7.6523 1.7186 0.0379 H 1 UNL1 0.1463 50 H 7.0704 0.0442 0.3863 H 1 UNL1 0.1405 @BOND 1 41 9 1 2 9 21 1 3 32 24 1 4 42 28 1 5 24 21 ar 6 24 25 ar 7 21 15 ar 8 39 27 1 9 36 26 1 10 44 28 1 11 40 27 1 12 2 26 1 13 2 14 1 14 28 43 1 15 28 4 1 16 10 25 1 17 10 30 1 18 37 26 1 19 26 35 1 20 7 16 2 21 25 23 ar 22 27 38 1 23 27 3 1 24 14 16 ar 25 14 13 ar 26 16 11 ar 27 15 13 1 28 15 22 ar 29 33 5 1 30 13 1 ar 31 5 18 1 32 11 18 ar 33 11 12 ar 34 49 30 1 35 18 19 ar 36 1 12 ar 37 12 17 ar 38 19 20 ar 39 19 4 1 40 50 30 1 41 30 48 1 42 17 20 ar 43 17 3 1 44 20 6 1 45 23 22 ar 46 23 8 1 47 46 29 1 48 22 31 1 49 6 34 1 50 8 29 1 51 29 47 1 52 29 45 1