@MOLECULE 5,7-dihydroxy-2-[(2s,3s)-3-{4-hydroxy-3-[(1z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propen-2-yl]-5-methoxyphenyl}-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4h-chromen-4-one 77 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8515 -1.8696 -0.1702 O.3 1 UNL1 -0.2982 2 O -1.1414 -3.7777 1.9336 O.3 1 UNL1 -0.3370 3 O 1.4436 -4.7644 2.9146 O.3 1 UNL1 -0.5269 4 O 3.3830 -3.6261 -3.4149 O.3 1 UNL1 -0.2981 5 O 4.7057 -1.2290 -2.5776 O.3 1 UNL1 -0.4741 6 O -4.8533 0.8470 0.1702 O.2 1 UNL1 -0.2573 7 O 1.6350 1.5970 -0.3222 O.3 1 UNL1 -0.5300 8 O -8.8674 0.1270 0.2302 O.2 1 UNL1 -0.5412 9 O -9.2600 2.5477 -0.7401 O.3 1 UNL1 -0.4595 10 O 8.6975 3.2544 0.3230 O.3 1 UNL1 -0.3430 11 O -5.3762 5.1238 -1.5459 O.3 1 UNL1 -0.4517 12 O 7.5769 4.6730 2.3174 O.3 1 UNL1 -0.4495 13 C -0.0128 -3.0356 -0.0834 C.3 1 UNL1 0.0447 14 C 0.1432 -3.4267 1.3948 C.3 1 UNL1 0.0012 15 C 1.2697 -2.5800 -0.7072 C.ar 1 UNL1 -0.0499 16 C 0.9751 -4.6985 1.5890 C.3 1 UNL1 -0.0219 17 C -2.0040 -1.9927 0.5487 C.ar 1 UNL1 0.0853 18 C -2.1358 -2.9122 1.6020 C.ar 1 UNL1 0.1570 19 C 1.8825 -1.4222 -0.2364 C.ar 1 UNL1 -0.1446 20 C 1.8053 -3.2855 -1.7833 C.ar 1 UNL1 -0.2059 21 C 3.0355 -0.9409 -0.8584 C.ar 1 UNL1 -0.1065 22 C -3.0481 -1.1396 0.2146 C.ar 1 UNL1 -0.1282 23 C 2.9730 -2.8263 -2.4005 C.ar 1 UNL1 0.1719 24 C -3.3237 -2.9987 2.3256 C.ar 1 UNL1 -0.2060 25 C -4.2398 -1.2313 0.9425 C.ar 1 UNL1 -0.0941 26 C 3.5819 -1.6454 -1.9348 C.ar 1 UNL1 0.1542 27 C -4.3752 -2.1510 1.9884 C.ar 1 UNL1 -0.1027 28 C 3.6710 0.2930 -0.3836 C.2 1 UNL1 -0.0660 29 C -5.3586 -0.3600 0.5874 C.ar 1 UNL1 0.3089 30 C 2.9726 1.5715 -0.7605 C.3 1 UNL1 -0.0034 31 C 4.8116 0.2405 0.3163 C.2 1 UNL1 -0.1576 32 C -6.6739 -0.6467 0.6247 C.ar 1 UNL1 -0.4268 33 C -5.7271 1.8065 -0.2554 C.ar 1 UNL1 0.3757 34 C -7.1133 1.6030 -0.2532 C.ar 1 UNL1 -0.4922 35 C 5.5323 1.4096 0.8206 C.ar 1 UNL1 -0.0254 36 C -7.6621 0.3389 0.2067 C.ar 1 UNL1 0.5536 37 C 4.5273 -3.2237 -4.1585 C.3 1 UNL1 -0.1920 38 C -7.9338 2.6609 -0.7124 C.ar 1 UNL1 0.4772 39 C -5.1310 2.9845 -0.6860 C.ar 1 UNL1 -0.4233 40 C 6.7729 1.7323 0.2522 C.ar 1 UNL1 -0.2382 41 C 5.0076 2.1668 1.8658 C.ar 1 UNL1 -0.1414 42 C -5.9928 3.9978 -1.1332 C.ar 1 UNL1 0.4321 43 C -7.3831 3.8676 -1.1578 C.ar 1 UNL1 -0.4933 44 C 7.4711 2.8253 0.7401 C.ar 1 UNL1 0.1122 45 C 5.7099 3.2647 2.3638 C.ar 1 UNL1 -0.1925 46 C 6.9369 3.5945 1.7988 C.ar 1 UNL1 0.1980 47 C 9.1672 2.7332 -0.9124 C.3 1 UNL1 -0.1860 48 H -0.5159 -3.8465 -0.6608 H 1 UNL1 0.1572 49 H 0.5370 -2.5830 2.0072 H 1 UNL1 0.1688 50 H 1.9075 -4.6728 0.9885 H 1 UNL1 0.1657 51 H 0.3970 -5.6101 1.3503 H 1 UNL1 0.1351 52 H 1.4645 -0.8822 0.6175 H 1 UNL1 0.1820 53 H 1.3289 -4.1885 -2.1649 H 1 UNL1 0.1790 54 H -2.9314 -0.4252 -0.6027 H 1 UNL1 0.1891 55 H -3.4159 -3.7167 3.1379 H 1 UNL1 0.1758 56 H -5.3091 -2.2023 2.5515 H 1 UNL1 0.1690 57 H 0.6894 -4.8161 3.5404 H 1 UNL1 0.3202 58 H 3.0002 1.7321 -1.8562 H 1 UNL1 0.1235 59 H 3.4046 2.4609 -0.2525 H 1 UNL1 0.1643 60 H 5.2820 -0.7183 0.5630 H 1 UNL1 0.1701 61 H -7.0554 -1.6135 0.9461 H 1 UNL1 0.2028 62 H 5.0697 -0.3969 -2.1737 H 1 UNL1 0.3351 63 H 4.3668 -2.2489 -4.6314 H 1 UNL1 0.1447 64 H 5.4187 -3.2131 -3.5221 H 1 UNL1 0.1439 65 H 4.5968 -4.0162 -4.9152 H 1 UNL1 0.1463 66 H -4.0549 3.1260 -0.6794 H 1 UNL1 0.2066 67 H 7.1739 1.1235 -0.5516 H 1 UNL1 0.1613 68 H 4.0418 1.9003 2.2980 H 1 UNL1 0.1723 69 H 1.1203 0.8447 -0.6857 H 1 UNL1 0.3195 70 H -8.0338 4.6607 -1.5051 H 1 UNL1 0.1930 71 H 5.3140 3.8655 3.1818 H 1 UNL1 0.1808 72 H -9.5516 1.6234 -0.3907 H 1 UNL1 0.3902 73 H -6.0146 5.8167 -1.8559 H 1 UNL1 0.3357 74 H 8.4278 4.8487 1.8384 H 1 UNL1 0.3374 75 H 8.4561 2.9312 -1.7204 H 1 UNL1 0.1349 76 H 9.3853 1.6641 -0.8207 H 1 UNL1 0.1351 77 H 10.0956 3.3017 -1.0645 H 1 UNL1 0.1533 @BOND 1 65 37 1 2 63 37 1 3 37 64 1 4 37 4 1 5 4 23 1 6 5 62 1 7 5 26 1 8 23 26 ar 9 23 20 ar 10 53 20 1 11 26 21 ar 12 58 30 1 13 73 11 1 14 20 15 ar 15 75 47 1 16 11 42 1 17 70 43 1 18 43 42 ar 19 43 38 ar 20 42 39 ar 21 77 47 1 22 47 76 1 23 47 10 1 24 21 28 1 25 21 19 ar 26 30 28 1 27 30 7 1 28 30 59 1 29 9 38 1 30 9 72 1 31 38 34 ar 32 15 19 ar 33 15 13 1 34 39 66 1 35 39 33 ar 36 69 7 1 37 48 13 1 38 54 22 1 39 67 40 1 40 28 31 2 41 33 34 ar 42 33 6 ar 43 34 36 ar 44 19 52 1 45 1 13 1 46 1 17 1 47 13 14 1 48 6 29 ar 49 36 8 2 50 36 32 ar 51 22 17 ar 52 22 25 ar 53 40 44 ar 54 40 35 ar 55 31 60 1 56 31 35 1 57 10 44 1 58 17 18 ar 59 29 32 ar 60 29 25 1 61 32 61 1 62 44 46 ar 63 35 41 ar 64 25 27 ar 65 50 16 1 66 51 16 1 67 14 16 1 68 14 2 1 69 14 49 1 70 16 3 1 71 18 2 1 72 18 24 ar 73 46 12 1 74 46 45 ar 75 74 12 1 76 41 68 1 77 41 45 ar 78 27 24 ar 79 27 56 1 80 24 55 1 81 45 71 1 82 3 57 1