@MOLECULE 5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4h-chromen-4-one 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9407 -0.2648 -0.1423 O.2 1 UNL1 -0.2654 2 O -3.4896 -2.2794 0.9349 O.3 1 UNL1 -0.2896 3 O -4.2816 2.0877 -0.8468 O.3 1 UNL1 -0.2922 4 O -5.2704 -0.4581 0.1129 O.3 1 UNL1 -0.3014 5 O 5.1655 -2.3875 -0.6197 O.3 1 UNL1 -0.2906 6 O 5.0836 2.1242 0.3807 O.3 1 UNL1 -0.4532 7 O 2.7299 3.3135 0.6484 O.2 1 UNL1 -0.5345 8 C -1.2199 0.5016 0.1042 C.ar 1 UNL1 0.0279 9 C 0.2029 0.8598 0.1376 C.ar 1 UNL1 0.2911 10 C 2.9601 1.0361 0.1435 C.ar 1 UNL1 -0.4900 11 C 2.3032 -0.1680 -0.1258 C.ar 1 UNL1 0.3836 12 C 0.7449 2.0617 0.4056 C.ar 1 UNL1 -0.4046 13 C 2.1931 2.2389 0.4186 C.ar 1 UNL1 0.5509 14 C -2.1463 1.4228 -0.3622 C.ar 1 UNL1 -0.2587 15 C -1.6152 -0.7633 0.5537 C.ar 1 UNL1 -0.3068 16 C 4.3781 1.0204 0.1359 C.ar 1 UNL1 0.4654 17 C -2.9662 -1.0968 0.5266 C.ar 1 UNL1 0.2218 18 C -3.5121 1.0786 -0.3823 C.ar 1 UNL1 0.2350 19 C 2.9674 -1.3607 -0.3951 C.ar 1 UNL1 -0.4792 20 C -3.9316 -0.1836 0.0497 C.ar 1 UNL1 -0.0206 21 C 4.3693 -1.3234 -0.3862 C.ar 1 UNL1 0.3888 22 C 5.0905 -0.1502 -0.1251 C.ar 1 UNL1 -0.4396 23 C -2.5712 -3.2710 1.3804 C.3 1 UNL1 -0.2089 24 C -5.6946 1.9210 -0.8445 C.3 1 UNL1 -0.1911 25 C -5.6714 -1.5462 -0.7202 C.3 1 UNL1 -0.2103 26 C 4.5364 -3.6366 -0.8863 C.3 1 UNL1 -0.2050 27 H 0.1419 2.9401 0.6328 H 1 UNL1 0.2075 28 H -1.8457 2.4078 -0.7192 H 1 UNL1 0.1910 29 H -0.8700 -1.4631 0.9218 H 1 UNL1 0.1817 30 H 2.4091 -2.2627 -0.6028 H 1 UNL1 0.1881 31 H 6.1769 -0.1500 -0.1250 H 1 UNL1 0.2048 32 H 4.4578 2.9197 0.5569 H 1 UNL1 0.3864 33 H -3.2414 -4.1038 1.6333 H 1 UNL1 0.1526 34 H -2.0326 -2.9324 2.2715 H 1 UNL1 0.1415 35 H -1.8838 -3.5592 0.5795 H 1 UNL1 0.1365 36 H -6.0666 1.7109 0.1645 H 1 UNL1 0.1488 37 H -5.9930 1.1350 -1.5437 H 1 UNL1 0.1377 38 H -6.0367 2.9060 -1.1898 H 1 UNL1 0.1470 39 H -5.2926 -2.4951 -0.3259 H 1 UNL1 0.1443 40 H -5.3458 -1.3975 -1.7525 H 1 UNL1 0.1294 41 H -6.7648 -1.5110 -0.6402 H 1 UNL1 0.1467 42 H 3.9373 -3.5844 -1.8008 H 1 UNL1 0.1398 43 H 3.9373 -3.9627 -0.0306 H 1 UNL1 0.1376 44 H 5.3998 -4.3016 -1.0284 H 1 UNL1 0.1559 @BOND 1 42 26 1 2 40 25 1 3 37 24 1 4 38 24 1 5 44 26 1 6 26 5 1 7 26 43 1 8 3 24 1 9 3 18 1 10 24 36 1 11 25 41 1 12 25 39 1 13 25 4 1 14 28 14 1 15 5 21 1 16 30 19 1 17 19 21 ar 18 19 11 ar 19 21 22 ar 20 18 14 ar 21 18 20 ar 22 14 8 ar 23 1 11 ar 24 1 9 ar 25 11 10 ar 26 22 31 1 27 22 16 ar 28 20 4 1 29 20 17 ar 30 8 9 1 31 8 15 ar 32 16 10 ar 33 16 6 1 34 9 12 ar 35 10 13 ar 36 6 32 1 37 12 13 ar 38 12 27 1 39 13 7 2 40 17 15 ar 41 17 2 1 42 15 29 1 43 35 23 1 44 2 23 1 45 23 33 1 46 23 34 1