@MOLECULE 2-(3-{[4,5-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}phenyl)-5,7-dimethoxy-4h-chromen-4-one 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.9401 -0.8349 0.3529 O.3 1 UNL1 -0.5027 2 O 3.7683 1.0636 1.3502 O.3 1 UNL1 -0.4350 3 O 3.5542 -2.9660 -0.1467 O.3 1 UNL1 -0.5588 4 O 5.8063 -0.3127 -0.7416 O.3 1 UNL1 -0.5398 5 O 2.0872 -1.6137 -2.1165 O.3 1 UNL1 -0.5306 6 O -1.0136 0.3670 0.1851 O.2 1 UNL1 -0.2703 7 O -5.8822 0.2500 -0.3037 O.3 1 UNL1 -0.3085 8 O -3.3009 -3.5990 0.3818 O.3 1 UNL1 -0.2928 9 O -4.2691 2.7338 0.4842 O.2 1 UNL1 -0.5006 10 C 3.8090 -1.6314 -0.4582 C.3 1 UNL1 0.3843 11 C 5.2541 -1.3422 0.0322 C.3 1 UNL1 0.1199 12 C 5.0371 -0.9056 1.4900 C.3 1 UNL1 -0.3985 13 C 3.6085 -0.3508 1.4938 C.3 1 UNL1 0.3530 14 C 3.4487 -1.3159 -1.9139 C.3 1 UNL1 -0.0578 15 C 2.7728 1.7115 0.6808 C.ar 1 UNL1 0.2642 16 C 1.4260 1.3582 0.7692 C.ar 1 UNL1 -0.2200 17 C 3.2101 2.7867 -0.0999 C.ar 1 UNL1 -0.2309 18 C 0.5044 2.0949 0.0248 C.ar 1 UNL1 -0.0110 19 C -0.9137 1.7324 0.0911 C.ar 1 UNL1 0.2723 20 C 2.2702 3.5029 -0.8298 C.ar 1 UNL1 -0.0970 21 C 0.9190 3.1572 -0.7804 C.ar 1 UNL1 -0.1756 22 C -3.4454 0.5525 0.0686 C.ar 1 UNL1 -0.4568 23 C -2.2582 -0.1994 0.1685 C.ar 1 UNL1 0.3695 24 C -1.9796 2.5449 0.1013 C.ar 1 UNL1 -0.4083 25 C -3.3377 2.0006 0.2225 C.ar 1 UNL1 0.5381 26 C -4.6388 -0.1881 -0.0588 C.ar 1 UNL1 0.4316 27 C -2.2112 -1.5824 0.2672 C.ar 1 UNL1 -0.4203 28 C -3.4402 -2.2638 0.2436 C.ar 1 UNL1 0.3824 29 C -4.6451 -1.5918 0.0685 C.ar 1 UNL1 -0.4816 30 C -6.1147 1.5268 -0.8877 C.3 1 UNL1 -0.1844 31 C -4.4870 -4.3864 0.3884 C.3 1 UNL1 -0.2034 32 H 5.9477 -2.1958 -0.1047 H 1 UNL1 0.1735 33 H 5.1416 -1.7547 2.1871 H 1 UNL1 0.1785 34 H 5.7781 -0.1466 1.8040 H 1 UNL1 0.1887 35 H 2.9641 -0.5612 2.3645 H 1 UNL1 0.1452 36 H 3.9754 -1.9933 -2.6149 H 1 UNL1 0.1673 37 H 3.6560 -0.2627 -2.1844 H 1 UNL1 0.1423 38 H 2.6391 -3.2131 -0.4243 H 1 UNL1 0.3545 39 H 5.3751 0.5452 -0.5229 H 1 UNL1 0.3313 40 H 1.5213 -1.0234 -1.5628 H 1 UNL1 0.3305 41 H 1.1007 0.5225 1.3886 H 1 UNL1 0.1864 42 H 4.2661 3.0429 -0.1260 H 1 UNL1 0.1691 43 H 2.5923 4.3359 -1.4563 H 1 UNL1 0.1564 44 H 0.1925 3.7139 -1.3710 H 1 UNL1 0.1665 45 H -1.8994 3.6281 0.0617 H 1 UNL1 0.1987 46 H -1.2712 -2.1176 0.3547 H 1 UNL1 0.2005 47 H -5.5930 -2.1120 0.0063 H 1 UNL1 0.1915 48 H -7.0520 1.3571 -1.4341 H 1 UNL1 0.1409 49 H -5.3174 1.8345 -1.5652 H 1 UNL1 0.1401 50 H -6.2567 2.2622 -0.0829 H 1 UNL1 0.1727 51 H -5.0130 -4.3085 -0.5682 H 1 UNL1 0.1396 52 H -5.1339 -4.1075 1.2264 H 1 UNL1 0.1411 53 H -4.0876 -5.4005 0.5285 H 1 UNL1 0.1539 @BOND 1 36 14 1 2 37 14 1 3 5 14 1 4 5 40 1 5 14 10 1 6 49 30 1 7 43 20 1 8 48 30 1 9 44 21 1 10 30 7 1 11 30 50 1 12 20 21 ar 13 20 17 ar 14 21 18 ar 15 4 39 1 16 4 11 1 17 51 31 1 18 10 3 1 19 10 11 1 20 10 1 1 21 38 3 1 22 7 26 1 23 42 17 1 24 32 11 1 25 17 15 ar 26 26 29 ar 27 26 22 ar 28 47 29 1 29 18 19 1 30 18 16 ar 31 11 12 1 32 45 24 1 33 29 28 ar 34 22 23 ar 35 22 25 ar 36 19 24 ar 37 19 6 ar 38 24 25 ar 39 23 6 ar 40 23 27 ar 41 25 9 2 42 28 27 ar 43 28 8 1 44 27 46 1 45 1 13 1 46 8 31 1 47 31 53 1 48 31 52 1 49 15 16 ar 50 15 2 1 51 16 41 1 52 2 13 1 53 12 13 1 54 12 34 1 55 12 33 1 56 13 35 1