@MOLECULE 5-hydroxy-3,7-bis(2-hydroxyethoxy)-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4h-chromen-4-one 61 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1747 0.2141 -0.2228 O.2 1 UNL1 -0.2265 2 O -4.4130 0.0544 -0.7364 O.3 1 UNL1 -0.3398 3 O 2.7640 -2.1019 0.7564 O.3 1 UNL1 -0.3180 4 O -2.1478 -3.9564 0.4285 O.3 1 UNL1 -0.4612 5 O 0.4869 -3.7800 0.6263 O.2 1 UNL1 -0.5351 6 O 5.4242 3.4077 -0.7092 O.3 1 UNL1 -0.3082 7 O -7.2144 1.1025 -0.0738 O.3 1 UNL1 -0.5397 8 O 5.3282 -2.1158 -0.6167 O.3 1 UNL1 -0.5483 9 C -2.1256 0.0983 -0.4729 C.ar 1 UNL1 -0.2454 10 C -0.9406 -0.5728 -0.1821 C.ar 1 UNL1 0.3371 11 C -0.8835 -1.9416 0.1219 C.ar 1 UNL1 -0.4778 12 C -2.1307 1.5618 -0.7741 C.3 1 UNL1 -0.2224 13 C -3.3129 -0.6645 -0.4343 C.ar 1 UNL1 0.3744 14 C -2.1047 -2.6531 0.1473 C.ar 1 UNL1 0.4674 15 C 1.3928 -0.3619 0.0387 C.ar 1 UNL1 0.2129 16 C 0.3861 -2.5822 0.4003 C.ar 1 UNL1 0.5164 17 C 1.5322 -1.6719 0.3632 C.ar 1 UNL1 -0.0773 18 C -3.3239 -2.0251 -0.1253 C.ar 1 UNL1 -0.4727 19 C 2.4436 0.6338 -0.0907 C.ar 1 UNL1 -0.1400 20 C -1.9157 2.3349 0.4907 C.2 1 UNL1 -0.2200 21 C -2.8521 3.0459 1.1302 C.2 1 UNL1 0.0523 22 C -5.6751 -0.6233 -0.7759 C.3 1 UNL1 -0.0958 23 C 2.3281 1.6466 -1.0579 C.ar 1 UNL1 -0.0350 24 C 3.5762 0.5700 0.7255 C.ar 1 UNL1 -0.0397 25 C 3.2642 -3.2197 0.0018 C.3 1 UNL1 -0.0994 26 C 3.3491 2.5631 -1.2319 C.ar 1 UNL1 -0.2673 27 C 4.6210 1.4728 0.5527 C.ar 1 UNL1 -0.3228 28 C -2.5341 3.7768 2.3952 C.3 1 UNL1 -0.4534 29 C -4.2638 3.1828 0.6622 C.3 1 UNL1 -0.4618 30 C 4.5000 2.4586 -0.4283 C.ar 1 UNL1 0.2839 31 C -6.6416 0.4841 -1.2022 C.3 1 UNL1 -0.0167 32 C 4.7750 -3.1179 0.2104 C.3 1 UNL1 -0.0190 33 C 6.6690 3.3316 -0.0249 C.3 1 UNL1 -0.2034 34 H -1.3259 1.8081 -1.5045 H 1 UNL1 0.1528 35 H -3.0683 1.8620 -1.2873 H 1 UNL1 0.1525 36 H -4.2343 -2.6109 -0.0852 H 1 UNL1 0.1934 37 H -0.9001 2.2612 0.8808 H 1 UNL1 0.1574 38 H -5.6288 -1.4491 -1.5056 H 1 UNL1 0.1433 39 H -5.9154 -1.0133 0.2305 H 1 UNL1 0.1570 40 H 1.4298 1.7050 -1.6779 H 1 UNL1 0.1681 41 H 3.6447 -0.1884 1.5120 H 1 UNL1 0.1745 42 H 2.8273 -4.1390 0.4325 H 1 UNL1 0.1612 43 H 2.9852 -3.1358 -1.0605 H 1 UNL1 0.1444 44 H -1.2050 -4.3201 0.6017 H 1 UNL1 0.3856 45 H 3.2840 3.3544 -1.9752 H 1 UNL1 0.1771 46 H 5.5029 1.4046 1.1809 H 1 UNL1 0.1696 47 H -2.8775 4.8194 2.3551 H 1 UNL1 0.1519 48 H -3.0251 3.3001 3.2559 H 1 UNL1 0.1568 49 H -1.4578 3.7990 2.6119 H 1 UNL1 0.1529 50 H -4.3571 4.0128 -0.0534 H 1 UNL1 0.1571 51 H -4.9564 3.3870 1.4886 H 1 UNL1 0.1496 52 H -4.6144 2.2719 0.1551 H 1 UNL1 0.1552 53 H -6.1412 1.2451 -1.8319 H 1 UNL1 0.1368 54 H -7.5200 0.0788 -1.7401 H 1 UNL1 0.1523 55 H 5.0292 -2.8902 1.2628 H 1 UNL1 0.1307 56 H 5.2992 -4.0370 -0.1105 H 1 UNL1 0.1465 57 H -6.5224 1.5326 0.4745 H 1 UNL1 0.3201 58 H 4.8308 -1.2760 -0.5028 H 1 UNL1 0.3224 59 H 7.2249 4.1709 -0.4655 H 1 UNL1 0.1551 60 H 7.1758 2.3845 -0.2367 H 1 UNL1 0.1411 61 H 6.5333 3.4850 1.0500 H 1 UNL1 0.1365 @BOND 1 45 26 1 2 53 31 1 3 54 31 1 4 40 23 1 5 38 22 1 6 34 12 1 7 35 12 1 8 26 23 ar 9 26 30 ar 10 31 22 1 11 31 7 1 12 43 25 1 13 23 19 ar 14 22 2 1 15 22 39 1 16 12 9 1 17 12 20 1 18 2 13 1 19 6 30 1 20 6 33 1 21 8 58 1 22 8 32 1 23 9 13 ar 24 9 10 ar 25 59 33 1 26 13 18 ar 27 30 27 ar 28 60 33 1 29 1 10 ar 30 1 15 ar 31 10 11 ar 32 18 36 1 33 18 14 ar 34 56 32 1 35 19 15 1 36 19 24 ar 37 7 57 1 38 50 29 1 39 33 61 1 40 25 32 1 41 25 42 1 42 25 3 1 43 15 17 ar 44 11 14 ar 45 11 16 ar 46 14 4 1 47 52 29 1 48 32 55 1 49 17 16 ar 50 17 3 1 51 16 5 2 52 4 44 1 53 20 37 1 54 20 21 2 55 27 24 ar 56 27 46 1 57 29 21 1 58 29 51 1 59 24 41 1 60 21 28 1 61 47 28 1 62 28 49 1 63 28 48 1