@MOLECULE 2-(3,4-dihydroxyphenyl)-5,6,7,8-tetramethoxy-4h-chromen-4-one 45 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.6865 -0.1574 -0.2832 O.2 1 UNL1 -0.2274 2 O 3.4626 2.0967 0.6159 O.3 1 UNL1 -0.3166 3 O 0.6205 -2.4675 -0.6790 O.3 1 UNL1 -0.2874 4 O 4.8086 -0.2487 -0.0250 O.3 1 UNL1 -0.2796 5 O 3.5072 -2.4754 -0.3745 O.3 1 UNL1 -0.2423 6 O 1.1764 3.4466 0.0662 O.2 1 UNL1 -0.4487 7 O -5.0944 -1.6592 1.4300 O.3 1 UNL1 -0.4434 8 O -6.8303 -0.2598 -0.1340 O.3 1 UNL1 -0.4870 9 C 1.3763 1.0863 0.0328 C.ar 1 UNL1 -0.3504 10 C 0.6764 -0.0995 -0.1929 C.ar 1 UNL1 0.2355 11 C 2.7715 1.0071 0.1770 C.ar 1 UNL1 0.2814 12 C 1.3191 -1.3404 -0.3373 C.ar 1 UNL1 -0.0614 13 C 3.4403 -0.2039 0.0059 C.ar 1 UNL1 -0.0367 14 C 2.7171 -1.3946 -0.2507 C.ar 1 UNL1 0.2221 15 C -1.3861 1.0073 -0.0868 C.ar 1 UNL1 0.2661 16 C 0.6460 2.3607 0.0768 C.ar 1 UNL1 0.5253 17 C -0.8149 2.2081 0.0880 C.ar 1 UNL1 -0.4125 18 C -2.8171 0.6945 -0.1115 C.ar 1 UNL1 -0.0634 19 C -3.3020 -0.3519 0.6809 C.ar 1 UNL1 -0.1683 20 C -3.6713 1.4421 -0.9223 C.ar 1 UNL1 -0.1121 21 C -4.6616 -0.6402 0.6484 C.ar 1 UNL1 0.1941 22 C -5.0369 1.1559 -0.9551 C.ar 1 UNL1 -0.2403 23 C -5.5232 0.1165 -0.1730 C.ar 1 UNL1 0.1632 24 C 4.1153 2.8026 -0.4422 C.3 1 UNL1 -0.1825 25 C -0.2539 -2.9238 0.3543 C.3 1 UNL1 -0.2122 26 C 5.3804 -0.2386 1.2846 C.3 1 UNL1 -0.2104 27 C 2.9057 -3.7026 -0.7793 C.3 1 UNL1 -0.2059 28 H -1.3917 3.1166 0.2414 H 1 UNL1 0.1963 29 H -2.6388 -0.9329 1.3221 H 1 UNL1 0.1849 30 H -3.2729 2.2508 -1.5369 H 1 UNL1 0.1697 31 H -5.7036 1.7366 -1.5867 H 1 UNL1 0.1648 32 H 4.6350 3.6012 0.1001 H 1 UNL1 0.1461 33 H 3.3672 3.2279 -1.1214 H 1 UNL1 0.1463 34 H 4.8212 2.1501 -0.9653 H 1 UNL1 0.1374 35 H -1.1337 -2.2743 0.4154 H 1 UNL1 0.1416 36 H 0.2543 -2.9859 1.3190 H 1 UNL1 0.1309 37 H -0.5442 -3.9189 -0.0026 H 1 UNL1 0.1431 38 H 5.1213 0.6865 1.8112 H 1 UNL1 0.1446 39 H 6.4545 -0.2814 1.0728 H 1 UNL1 0.1426 40 H 5.0618 -1.1179 1.8500 H 1 UNL1 0.1281 41 H 2.3611 -3.5872 -1.7232 H 1 UNL1 0.1524 42 H 2.2530 -4.0913 0.0070 H 1 UNL1 0.1396 43 H 3.7857 -4.3456 -0.9147 H 1 UNL1 0.1477 44 H -6.0790 -1.7763 1.3488 H 1 UNL1 0.3426 45 H -7.4045 0.3424 -0.6674 H 1 UNL1 0.3421 @BOND 1 41 27 1 2 31 22 1 3 30 20 1 4 33 24 1 5 34 24 1 6 22 20 ar 7 22 23 ar 8 20 18 ar 9 43 27 1 10 27 5 1 11 27 42 1 12 3 12 1 13 3 25 1 14 45 8 1 15 24 32 1 16 24 2 1 17 5 14 1 18 12 14 ar 19 12 10 ar 20 1 10 ar 21 1 15 ar 22 14 13 ar 23 10 9 ar 24 23 8 1 25 23 21 ar 26 18 15 1 27 18 19 ar 28 15 17 ar 29 4 13 1 30 4 26 1 31 37 25 1 32 13 11 ar 33 9 16 ar 34 9 11 ar 35 6 16 2 36 16 17 ar 37 17 28 1 38 11 2 1 39 25 35 1 40 25 36 1 41 21 19 ar 42 21 7 1 43 19 29 1 44 39 26 1 45 26 38 1 46 26 40 1 47 44 7 1