@MOLECULE 8-{5-[(2s)-5,7-dihydroxy-4-oxo-3,4-dihydro-2h-chromen-2-yl]-2-hydroxyphenyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one 60 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4864 0.7806 0.5957 O.3 1 UNL1 -0.3162 2 O 2.6983 -0.0109 -0.0110 O.2 1 UNL1 -0.2376 3 O -3.8306 -2.9324 -1.0629 O.2 1 UNL1 -0.5390 4 O 2.1352 1.6882 3.1203 O.3 1 UNL1 -0.4452 5 O -6.3475 -2.3716 -1.6436 O.3 1 UNL1 -0.4625 6 O 0.6217 4.0654 0.8858 O.3 1 UNL1 -0.4314 7 O 4.3056 4.0349 -2.0767 O.3 1 UNL1 -0.4602 8 O -7.7939 2.0040 -0.6345 O.3 1 UNL1 -0.4523 9 O 5.4216 1.7127 -2.5245 O.2 1 UNL1 -0.5409 10 O 3.5287 -6.1761 0.5324 O.3 1 UNL1 -0.4638 11 C -2.6956 -0.3255 1.0851 C.3 1 UNL1 0.1294 12 C -2.4183 -1.3217 -0.0415 C.3 1 UNL1 -0.4268 13 C -1.4366 0.2694 1.6309 C.ar 1 UNL1 -0.1356 14 C 0.6915 1.3808 1.3039 C.ar 1 UNL1 -0.0510 15 C -3.7284 -1.8109 -0.5953 C.2 1 UNL1 0.5459 16 C -0.5271 0.9323 0.8006 C.ar 1 UNL1 -0.0574 17 C -4.8237 -0.8704 -0.5573 C.ar 1 UNL1 -0.5349 18 C -4.6430 0.4174 -0.0024 C.ar 1 UNL1 0.4112 19 C 1.6637 2.0345 0.4391 C.ar 1 UNL1 -0.2678 20 C -1.1529 0.1015 2.9877 C.ar 1 UNL1 -0.0620 21 C 2.6737 1.3415 -0.2293 C.ar 1 UNL1 0.3653 22 C 0.9513 1.2033 2.6755 C.ar 1 UNL1 0.3033 23 C 0.0408 0.5708 3.5249 C.ar 1 UNL1 -0.3170 24 C 3.5872 1.9741 -1.0840 C.ar 1 UNL1 -0.4853 25 C -6.0840 -1.1722 -1.1220 C.ar 1 UNL1 0.4877 26 C 1.6100 3.4290 0.2284 C.ar 1 UNL1 0.4272 27 C -5.6337 1.3914 -0.0525 C.ar 1 UNL1 -0.4407 28 C 3.4808 3.3742 -1.2679 C.ar 1 UNL1 0.4780 29 C 2.4929 4.1136 -0.6103 C.ar 1 UNL1 -0.4868 30 C -6.8583 1.0345 -0.6350 C.ar 1 UNL1 0.4449 31 C -7.1166 -0.2312 -1.1635 C.ar 1 UNL1 -0.5096 32 C 4.6138 1.1996 -1.7598 C.ar 1 UNL1 0.5538 33 C 3.6698 -0.7440 -0.6414 C.ar 1 UNL1 0.3027 34 C 4.5980 -0.2241 -1.4669 C.ar 1 UNL1 -0.4289 35 C 3.5571 -2.1580 -0.2925 C.ar 1 UNL1 -0.1623 36 C 4.6768 -2.7906 0.2684 C.ar 1 UNL1 -0.0405 37 C 2.3961 -2.8792 -0.5737 C.ar 1 UNL1 -0.0188 38 C 4.6447 -4.1468 0.5448 C.ar 1 UNL1 -0.2571 39 C 2.3485 -4.2475 -0.3199 C.ar 1 UNL1 -0.3254 40 C 3.4735 -4.8590 0.2401 C.ar 1 UNL1 0.3220 41 H -3.3125 -0.8024 1.8887 H 1 UNL1 0.1413 42 H -1.7966 -2.1672 0.3191 H 1 UNL1 0.1915 43 H -1.8303 -0.8574 -0.8642 H 1 UNL1 0.1936 44 H -0.7704 1.1058 -0.2497 H 1 UNL1 0.1676 45 H -1.8674 -0.3994 3.6418 H 1 UNL1 0.1511 46 H 0.2553 0.4466 4.5799 H 1 UNL1 0.1624 47 H -5.4766 2.3843 0.3565 H 1 UNL1 0.2045 48 H 2.4279 5.1841 -0.7638 H 1 UNL1 0.1941 49 H -8.0724 -0.4961 -1.6022 H 1 UNL1 0.1938 50 H 5.3538 -0.8365 -1.9565 H 1 UNL1 0.2049 51 H 2.2535 1.5483 4.0928 H 1 UNL1 0.3232 52 H -5.5306 -2.9838 -1.5910 H 1 UNL1 0.3832 53 H 0.6163 5.0413 0.7001 H 1 UNL1 0.3331 54 H 5.5770 -2.2092 0.4890 H 1 UNL1 0.1660 55 H 1.5264 -2.3713 -1.0004 H 1 UNL1 0.1641 56 H 4.9873 3.3874 -2.5067 H 1 UNL1 0.3917 57 H -8.6540 1.7074 -1.0359 H 1 UNL1 0.3363 58 H 5.4916 -4.6671 0.9771 H 1 UNL1 0.1811 59 H 1.4582 -4.8223 -0.5527 H 1 UNL1 0.1693 60 H 2.6846 -6.6518 0.3332 H 1 UNL1 0.3330 @BOND 1 9 32 2 2 56 7 1 3 7 28 1 4 50 34 1 5 32 34 ar 6 32 24 ar 7 5 52 1 8 5 25 1 9 49 31 1 10 34 33 ar 11 28 24 ar 12 28 29 ar 13 31 25 ar 14 31 30 ar 15 25 17 ar 16 24 21 ar 17 3 15 2 18 57 8 1 19 55 37 1 20 43 12 1 21 48 29 1 22 33 35 1 23 33 2 ar 24 30 8 1 25 30 27 ar 26 29 26 ar 27 15 17 1 28 15 12 1 29 37 39 ar 30 37 35 ar 31 17 18 ar 32 59 39 1 33 39 40 ar 34 35 36 ar 35 44 16 1 36 21 2 ar 37 21 19 ar 38 27 18 ar 39 27 47 1 40 12 42 1 41 12 11 1 42 18 1 1 43 26 19 ar 44 26 6 1 45 40 10 1 46 40 38 ar 47 36 54 1 48 36 38 ar 49 60 10 1 50 19 14 1 51 38 58 1 52 1 11 1 53 53 6 1 54 16 14 ar 55 16 13 ar 56 11 13 1 57 11 41 1 58 14 22 ar 59 13 20 ar 60 22 4 1 61 22 23 ar 62 20 23 ar 63 20 45 1 64 4 51 1 65 23 46 1