@MOLECULE 7,8,4'-trimethoxyisoflavone 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.2231 -1.4315 0.0899 O.2 1 UNL1 -0.2344 2 O 3.9293 -1.6243 0.0624 O.3 1 UNL1 -0.2966 3 O 5.4454 0.8553 0.0447 O.3 1 UNL1 -0.2901 4 O -0.7276 2.1541 0.1355 O.2 1 UNL1 -0.4528 5 O -6.4335 -0.4163 0.1521 O.3 1 UNL1 -0.3205 6 C 1.3117 0.9887 0.1273 C.ar 1 UNL1 -0.3112 7 C 1.9278 -0.2603 0.0901 C.ar 1 UNL1 0.2365 8 C -0.8513 -0.2119 0.1138 C.ar 1 UNL1 -0.2344 9 C -0.1531 1.0892 0.1321 C.ar 1 UNL1 0.5034 10 C -2.3095 -0.2260 0.1085 C.ar 1 UNL1 -0.0586 11 C 3.3251 -0.3967 0.0329 C.ar 1 UNL1 -0.0580 12 C 2.1112 2.1423 0.1438 C.ar 1 UNL1 0.0115 13 C 4.1012 0.7682 0.0618 C.ar 1 UNL1 0.2702 14 C -0.1358 -1.3514 0.0958 C.ar 1 UNL1 0.1044 15 C 3.4870 2.0407 0.1183 C.ar 1 UNL1 -0.2987 16 C -3.0084 -1.1127 0.9404 C.ar 1 UNL1 -0.0908 17 C -3.0182 0.6465 -0.7229 C.ar 1 UNL1 -0.0478 18 C -4.3938 -1.1469 0.9281 C.ar 1 UNL1 -0.2567 19 C -4.4103 0.6275 -0.7517 C.ar 1 UNL1 -0.3027 20 C -5.0840 -0.2727 0.0729 C.ar 1 UNL1 0.2562 21 C 3.6880 -2.3955 -1.1159 C.3 1 UNL1 -0.2125 22 C 6.2079 -0.3464 0.0844 C.3 1 UNL1 -0.1927 23 C -7.2272 0.4516 -0.6448 C.3 1 UNL1 -0.2017 24 H 1.6188 3.1215 0.1792 H 1 UNL1 0.1825 25 H -0.5044 -2.3750 0.0816 H 1 UNL1 0.1788 26 H 4.1210 2.9258 0.1401 H 1 UNL1 0.1846 27 H -2.4601 -1.7717 1.6132 H 1 UNL1 0.1519 28 H -2.4759 1.3582 -1.3506 H 1 UNL1 0.1680 29 H -4.9509 -1.8266 1.5665 H 1 UNL1 0.1702 30 H -4.9444 1.3117 -1.4024 H 1 UNL1 0.1634 31 H 3.9555 -1.8411 -2.0195 H 1 UNL1 0.1305 32 H 4.3497 -3.2585 -0.9743 H 1 UNL1 0.1464 33 H 2.6430 -2.7197 -1.1542 H 1 UNL1 0.1414 34 H 7.2335 0.0407 0.1517 H 1 UNL1 0.1484 35 H 6.0663 -0.9252 -0.8326 H 1 UNL1 0.1393 36 H 5.9570 -0.9427 0.9690 H 1 UNL1 0.1507 37 H -8.2473 0.1375 -0.3849 H 1 UNL1 0.1516 38 H -7.0657 1.4973 -0.3637 H 1 UNL1 0.1372 39 H -7.0364 0.2877 -1.7097 H 1 UNL1 0.1333 @BOND 1 31 21 1 2 39 23 1 3 30 19 1 4 28 17 1 5 33 21 1 6 21 32 1 7 21 2 1 8 35 22 1 9 19 17 ar 10 19 20 ar 11 17 10 ar 12 23 37 1 13 23 38 1 14 23 5 1 15 11 13 ar 16 11 2 1 17 11 7 ar 18 3 13 1 19 3 22 1 20 13 15 ar 21 20 5 1 22 20 18 ar 23 25 14 1 24 22 34 1 25 22 36 1 26 1 7 ar 27 1 14 ar 28 7 6 ar 29 14 8 ar 30 10 8 1 31 10 16 ar 32 8 9 ar 33 15 26 1 34 15 12 ar 35 6 9 ar 36 6 12 ar 37 9 4 2 38 12 24 1 39 18 16 ar 40 18 29 1 41 16 27 1