@MOLECULE 3',4',5'-trimethoxyflavone 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.6326 -0.6056 -0.3060 O.2 1 UNL1 -0.2674 2 O 3.3332 2.3764 -0.5662 O.3 1 UNL1 -0.2922 3 O 2.9977 -2.3221 0.3070 O.3 1 UNL1 -0.3020 4 O 4.5754 -0.1847 -0.2752 O.3 1 UNL1 -0.3055 5 O -3.7136 2.6797 0.9354 O.2 1 UNL1 -0.4559 6 C 0.4549 0.3309 0.0166 C.ar 1 UNL1 0.0169 7 C -0.9950 0.5372 0.1056 C.ar 1 UNL1 0.2888 8 C -3.7693 0.4654 0.1341 C.ar 1 UNL1 -0.2655 9 C -3.0014 -0.6198 -0.2833 C.ar 1 UNL1 0.2530 10 C 0.9828 -0.9499 0.2152 C.ar 1 UNL1 -0.2903 11 C 1.2830 1.4122 -0.2524 C.ar 1 UNL1 -0.2459 12 C 2.6755 1.2227 -0.3068 C.ar 1 UNL1 0.2200 13 C 2.3601 -1.1339 0.1409 C.ar 1 UNL1 0.2013 14 C 3.2275 -0.0496 -0.1099 C.ar 1 UNL1 0.0023 15 C -1.6387 1.6396 0.5302 C.ar 1 UNL1 -0.4181 16 C -3.0983 1.7026 0.5727 C.ar 1 UNL1 0.4976 17 C -5.1628 0.3466 0.1208 C.ar 1 UNL1 -0.0233 18 C -3.5740 -1.8213 -0.7173 C.ar 1 UNL1 -0.2551 19 C -5.7525 -0.8368 -0.3050 C.ar 1 UNL1 -0.2268 20 C -4.9591 -1.9136 -0.7222 C.ar 1 UNL1 -0.0584 21 C 4.7505 2.3394 -0.6783 C.3 1 UNL1 -0.1916 22 C 2.1838 -3.4562 0.5828 C.3 1 UNL1 -0.2049 23 C 5.2278 -0.9888 0.7066 C.3 1 UNL1 -0.2011 24 H 0.3148 -1.7829 0.4180 H 1 UNL1 0.1810 25 H 0.8813 2.4114 -0.4254 H 1 UNL1 0.1909 26 H -1.1092 2.5299 0.8673 H 1 UNL1 0.2056 27 H -5.7700 1.1963 0.4480 H 1 UNL1 0.1755 28 H -2.9438 -2.6446 -1.0407 H 1 UNL1 0.1744 29 H -6.8361 -0.9313 -0.3176 H 1 UNL1 0.1611 30 H -5.4378 -2.8353 -1.0559 H 1 UNL1 0.1519 31 H 4.9844 3.3876 -0.9080 H 1 UNL1 0.1465 32 H 5.0600 1.6834 -1.4998 H 1 UNL1 0.1469 33 H 5.2105 2.0339 0.2659 H 1 UNL1 0.1392 34 H 1.6474 -3.3340 1.5289 H 1 UNL1 0.1376 35 H 2.9299 -4.2581 0.6630 H 1 UNL1 0.1504 36 H 1.4975 -3.6563 -0.2467 H 1 UNL1 0.1407 37 H 5.2070 -2.0349 0.3773 H 1 UNL1 0.1453 38 H 4.7825 -0.8856 1.6983 H 1 UNL1 0.1355 39 H 6.2534 -0.6006 0.6957 H 1 UNL1 0.1415 @BOND 1 32 21 1 2 30 20 1 3 28 18 1 4 31 21 1 5 20 18 ar 6 20 19 ar 7 18 9 ar 8 21 2 1 9 21 33 1 10 2 12 1 11 25 11 1 12 29 19 1 13 12 11 ar 14 12 14 ar 15 1 9 ar 16 1 7 ar 17 19 17 ar 18 9 8 ar 19 4 14 1 20 4 23 1 21 11 6 ar 22 36 22 1 23 14 13 ar 24 6 7 1 25 6 10 ar 26 7 15 ar 27 17 8 ar 28 17 27 1 29 8 16 ar 30 13 10 ar 31 13 3 1 32 10 24 1 33 3 22 1 34 37 23 1 35 15 16 ar 36 15 26 1 37 16 5 2 38 22 35 1 39 22 34 1 40 39 23 1 41 23 38 1