@MOLECULE 3,6-dichloro-2'-isopropyloxy-4'-methylflavone 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -1.0261 -1.7684 1.7554 Cl 1 UNL1 0.0020 2 CL 6.2109 0.2503 -0.5432 Cl 1 UNL1 -0.0726 3 O -2.2337 -0.9940 -0.7945 O.3 1 UNL1 -0.3452 4 O 0.5173 1.2996 -0.1555 O.2 1 UNL1 -0.2409 5 O 1.8855 -2.2181 1.4361 O.2 1 UNL1 -0.4140 6 C -1.6924 0.9216 0.3471 C.ar 1 UNL1 -0.2351 7 C -2.6989 0.1540 -0.2779 C.ar 1 UNL1 0.3406 8 C -0.3379 0.4035 0.4327 C.ar 1 UNL1 0.3046 9 C -3.1461 -1.9533 -1.3627 C.3 1 UNL1 0.1648 10 C -4.0183 0.6112 -0.3361 C.ar 1 UNL1 -0.3697 11 C -2.0231 2.1726 0.8719 C.ar 1 UNL1 -0.0010 12 C -4.3282 1.8541 0.2113 C.ar 1 UNL1 0.1713 13 C 2.3723 -0.1999 0.3200 C.ar 1 UNL1 -0.2395 14 C 1.8464 0.9806 -0.2044 C.ar 1 UNL1 0.2345 15 C 0.0845 -0.7489 0.9916 C.ar 1 UNL1 -0.2875 16 C -3.3294 2.6370 0.8089 C.ar 1 UNL1 -0.2933 17 C 1.4800 -1.1788 0.9738 C.ar 1 UNL1 0.4865 18 C -3.4151 -1.5501 -2.8067 C.3 1 UNL1 -0.4981 19 C -2.3480 -3.2488 -1.2519 C.3 1 UNL1 -0.4693 20 C 3.7475 -0.4336 0.2145 C.ar 1 UNL1 -0.0488 21 C 2.6447 1.9474 -0.8342 C.ar 1 UNL1 -0.2189 22 C -5.7287 2.3624 0.1709 C.3 1 UNL1 -0.4683 23 C 4.5299 0.5235 -0.4081 C.ar 1 UNL1 -0.0531 24 C 4.0066 1.7080 -0.9341 C.ar 1 UNL1 -0.0856 25 H -4.0738 -1.9918 -0.7536 H 1 UNL1 0.1239 26 H -4.7937 0.0134 -0.8013 H 1 UNL1 0.1713 27 H -1.2455 2.7801 1.3409 H 1 UNL1 0.1607 28 H -3.5819 3.6078 1.2245 H 1 UNL1 0.1634 29 H -4.0553 -2.2790 -3.3147 H 1 UNL1 0.1567 30 H -3.9022 -0.5700 -2.8726 H 1 UNL1 0.1559 31 H -2.4781 -1.4754 -3.3762 H 1 UNL1 0.1688 32 H -2.8186 -4.0574 -1.8191 H 1 UNL1 0.1542 33 H -2.2525 -3.5741 -0.2072 H 1 UNL1 0.1682 34 H -1.3242 -3.1192 -1.6329 H 1 UNL1 0.1715 35 H 4.1691 -1.3596 0.6233 H 1 UNL1 0.1958 36 H 2.1918 2.8536 -1.2318 H 1 UNL1 0.1824 37 H -6.3914 1.7482 -0.4530 H 1 UNL1 0.1583 38 H -6.1668 2.3845 1.1816 H 1 UNL1 0.1688 39 H -5.7767 3.3889 -0.2225 H 1 UNL1 0.1647 40 H 4.6591 2.4375 -1.4187 H 1 UNL1 0.1721 @BOND 1 31 18 1 2 29 18 1 3 30 18 1 4 18 9 1 5 32 19 1 6 34 19 1 7 40 24 1 8 9 19 1 9 9 3 1 10 9 25 1 11 19 33 1 12 36 21 1 13 24 21 ar 14 24 23 ar 15 21 14 ar 16 26 10 1 17 3 7 1 18 2 23 1 19 37 22 1 20 23 20 ar 21 10 7 ar 22 10 12 ar 23 7 6 ar 24 39 22 1 25 14 4 ar 26 14 13 ar 27 4 8 ar 28 22 12 1 29 22 38 1 30 12 16 ar 31 20 13 ar 32 20 35 1 33 13 17 ar 34 6 8 1 35 6 11 ar 36 8 15 ar 37 16 11 ar 38 16 28 1 39 11 27 1 40 17 15 ar 41 17 5 2 42 15 1 1