@MOLECULE 6,3'-dibromoflavone 27 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR 5.7089 0.8863 0.0020 Br 1 UNL1 -0.0361 2 BR -5.1549 1.5919 -0.3016 Br 1 UNL1 -0.0398 3 O -0.1935 -0.1134 0.3598 O.2 1 UNL1 -0.2632 4 O 2.1439 -3.2381 -0.8370 O.2 1 UNL1 -0.4384 5 C 2.0158 -0.9870 -0.1524 C.ar 1 UNL1 -0.2529 6 C 1.1624 0.0384 0.2523 C.ar 1 UNL1 0.2516 7 C -0.7323 -1.3308 0.0275 C.ar 1 UNL1 0.2788 8 C -2.1855 -1.2558 0.1972 C.ar 1 UNL1 -0.0635 9 C 1.4526 -2.3075 -0.4946 C.ar 1 UNL1 0.4992 10 C -0.0049 -2.3843 -0.3826 C.ar 1 UNL1 -0.4131 11 C 3.3895 -0.7331 -0.2264 C.ar 1 UNL1 -0.0338 12 C 1.6273 1.3174 0.5859 C.ar 1 UNL1 -0.2344 13 C -2.8574 -0.0634 -0.0913 C.ar 1 UNL1 -0.1110 14 C -2.8911 -2.3737 0.6520 C.ar 1 UNL1 -0.1093 15 C 3.8509 0.5315 0.1019 C.ar 1 UNL1 -0.0989 16 C 2.9913 1.5580 0.5051 C.ar 1 UNL1 -0.0670 17 C -4.2345 -0.0204 0.0825 C.ar 1 UNL1 -0.0376 18 C -4.2726 -2.3037 0.8135 C.ar 1 UNL1 -0.1454 19 C -4.9563 -1.1216 0.5296 C.ar 1 UNL1 -0.1255 20 H -0.4555 -3.3364 -0.6584 H 1 UNL1 0.2026 21 H 4.0602 -1.5416 -0.5427 H 1 UNL1 0.1937 22 H 0.9282 2.0907 0.8988 H 1 UNL1 0.1840 23 H -2.2992 0.8068 -0.4460 H 1 UNL1 0.1829 24 H -2.3611 -3.2992 0.8853 H 1 UNL1 0.1696 25 H 3.3802 2.5477 0.7579 H 1 UNL1 0.1724 26 H -4.8233 -3.1765 1.1650 H 1 UNL1 0.1636 27 H -6.0384 -1.0754 0.6614 H 1 UNL1 0.1714 @BOND 1 4 9 2 2 20 10 1 3 21 11 1 4 9 10 ar 5 9 5 ar 6 23 13 1 7 10 7 ar 8 2 17 1 9 11 5 ar 10 11 15 ar 11 5 6 ar 12 13 17 ar 13 13 8 ar 14 1 15 1 15 7 8 1 16 7 3 ar 17 17 19 ar 18 15 16 ar 19 8 14 ar 20 6 3 ar 21 6 12 ar 22 16 12 ar 23 16 25 1 24 19 27 1 25 19 18 ar 26 12 22 1 27 14 18 ar 28 14 24 1 29 18 26 1