@MOLECULE 3,5-dibromo-2h-pyran-2-one 11 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -2.6651 0.8826 0.0001 Br 1 UNL1 0.0366 2 BR 3.0119 0.4953 -0.0001 Br 1 UNL1 0.0085 3 O 0.0118 -2.2717 0.0006 O.2 1 UNL1 -0.3370 4 O -2.1706 -2.2412 -0.0010 O.2 1 UNL1 -0.3483 5 C 0.1456 0.5128 0.0001 C.ar 1 UNL1 0.0238 6 C -1.0631 -0.0971 0.0001 C.ar 1 UNL1 -0.2585 7 C 1.3122 -0.3073 0.0003 C.ar 1 UNL1 -0.2708 8 C -1.2079 -1.5354 -0.0001 C.ar 1 UNL1 0.5666 9 C 1.1937 -1.6604 0.0007 C.ar 1 UNL1 0.2029 10 H 0.2534 1.6042 -0.0000 H 1 UNL1 0.1866 11 H 1.9848 -2.4134 0.0010 H 1 UNL1 0.1897 @BOND 1 4 8 2 2 2 7 1 3 8 6 ar 4 8 3 ar 5 10 5 1 6 5 6 ar 7 5 7 ar 8 6 1 1 9 7 9 ar 10 3 9 ar 11 9 11 1