@MOLECULE 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4h-chromen-4-one 55 57 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0655 -0.6673 0.2601 O.2 1 UNL1 -0.1907 2 O 3.6470 2.2314 -0.2092 O.3 1 UNL1 -0.2147 3 O 1.4948 -2.8231 0.2851 O.3 1 UNL1 -0.2567 4 O -1.4728 2.6304 0.0006 O.3 1 UNL1 -0.2859 5 O 5.3946 -0.0681 -0.1371 O.3 1 UNL1 -0.3080 6 O 4.0777 -2.6448 -0.1506 O.3 1 UNL1 -0.2552 7 O 1.3362 3.1706 0.0864 O.2 1 UNL1 -0.4491 8 O -5.5596 0.6910 -1.1412 O.3 1 UNL1 -0.3409 9 O -6.1696 -1.5332 0.5878 O.3 1 UNL1 -0.3368 10 C 1.8166 0.8560 0.0434 C.ar 1 UNL1 -0.3970 11 C 1.2637 -0.4257 0.1426 C.ar 1 UNL1 0.2708 12 C -0.9260 0.4095 0.2183 C.ar 1 UNL1 0.1208 13 C 3.2218 0.9647 -0.0942 C.ar 1 UNL1 0.3220 14 C 2.0455 -1.5872 0.0858 C.ar 1 UNL1 -0.0761 15 C 0.9440 2.0266 0.0807 C.ar 1 UNL1 0.4875 16 C -0.4977 1.6905 0.1247 C.ar 1 UNL1 -0.0238 17 C 4.0254 -0.1855 -0.0865 C.ar 1 UNL1 -0.1530 18 C 3.4381 -1.4628 -0.0660 C.ar 1 UNL1 0.2640 19 C -2.2941 -0.0865 0.2768 C.ar 1 UNL1 -0.0444 20 C -3.3033 0.5646 -0.4369 C.ar 1 UNL1 -0.1427 21 C -2.5888 -1.2167 1.0504 C.ar 1 UNL1 -0.1099 22 C -4.6061 0.0786 -0.3648 C.ar 1 UNL1 0.0973 23 C -4.9006 -1.0605 0.3971 C.ar 1 UNL1 0.1640 24 C -3.8874 -1.7085 1.1081 C.ar 1 UNL1 -0.2103 25 C 4.9614 2.4636 -0.7133 C.3 1 UNL1 -0.2117 26 C 0.8268 -3.3147 -0.8788 C.3 1 UNL1 -0.2194 27 C -1.1677 3.9305 0.5026 C.3 1 UNL1 -0.1929 28 C 5.9605 -0.0419 1.1784 C.3 1 UNL1 -0.2159 29 C 5.3745 -2.6537 -0.7458 C.3 1 UNL1 -0.2040 30 C -6.4267 1.5255 -0.3741 C.3 1 UNL1 -0.1974 31 C -6.8350 -1.9223 -0.6120 C.3 1 UNL1 -0.1976 32 H -3.0915 1.4435 -1.0502 H 1 UNL1 0.1897 33 H -1.7934 -1.7152 1.6096 H 1 UNL1 0.1757 34 H -4.1294 -2.5884 1.7012 H 1 UNL1 0.1736 35 H 5.6997 2.3356 0.0818 H 1 UNL1 0.1382 36 H 5.1934 1.8275 -1.5725 H 1 UNL1 0.1471 37 H 4.8930 3.5184 -1.0164 H 1 UNL1 0.1523 38 H -0.0184 -2.6706 -1.1420 H 1 UNL1 0.1407 39 H 0.4760 -4.2994 -0.5504 H 1 UNL1 0.1424 40 H 1.5238 -3.4117 -1.7142 H 1 UNL1 0.1278 41 H -2.1640 4.3811 0.5817 H 1 UNL1 0.1380 42 H -0.6744 3.8927 1.4768 H 1 UNL1 0.1398 43 H -0.5442 4.4683 -0.2218 H 1 UNL1 0.1522 44 H 7.0326 0.0579 0.9808 H 1 UNL1 0.1402 45 H 5.7438 -0.9721 1.7130 H 1 UNL1 0.1360 46 H 5.5834 0.8139 1.7470 H 1 UNL1 0.1368 47 H 5.4400 -1.9868 -1.6109 H 1 UNL1 0.1477 48 H 5.4730 -3.7036 -1.0530 H 1 UNL1 0.1468 49 H 6.1283 -2.3936 0.0025 H 1 UNL1 0.1409 50 H -5.8607 2.3494 0.0717 H 1 UNL1 0.1321 51 H -6.9460 0.9455 0.3962 H 1 UNL1 0.1395 52 H -7.1298 1.8979 -1.1281 H 1 UNL1 0.1452 53 H -6.9729 -1.0713 -1.2874 H 1 UNL1 0.1492 54 H -7.8000 -2.2852 -0.2382 H 1 UNL1 0.1452 55 H -6.2825 -2.7258 -1.1074 H 1 UNL1 0.1305 @BOND 1 40 26 1 2 47 29 1 3 36 25 1 4 53 31 1 5 38 26 1 6 8 30 1 7 8 22 1 8 52 30 1 9 55 31 1 10 48 29 1 11 32 20 1 12 37 25 1 13 26 39 1 14 26 3 1 15 29 6 1 16 29 49 1 17 25 2 1 18 25 35 1 19 31 54 1 20 31 9 1 21 20 22 ar 22 20 19 ar 23 30 50 1 24 30 51 1 25 22 23 ar 26 43 27 1 27 2 13 1 28 6 18 1 29 5 17 1 30 5 28 1 31 13 17 ar 32 13 10 ar 33 17 18 ar 34 18 14 ar 35 4 16 1 36 4 27 1 37 10 15 ar 38 10 11 ar 39 15 7 2 40 15 16 ar 41 14 11 ar 42 14 3 1 43 16 12 ar 44 11 1 ar 45 12 1 ar 46 12 19 1 47 19 21 ar 48 23 9 1 49 23 24 ar 50 27 41 1 51 27 42 1 52 44 28 1 53 21 24 ar 54 21 33 1 55 24 34 1 56 28 45 1 57 28 46 1