@MOLECULE tribromoacetate 7 6 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -1.0404 -1.5934 -0.2643 Br 1 UNL1 0.0457 2 BR -1.0407 1.5933 -0.2643 Br 1 UNL1 0.0457 3 BR 1.7479 0.0001 -0.5936 Br 1 UNL1 0.2022 4 O -0.2930 -0.0003 2.6321 O.co2 1 UNL1 -0.3796 5 O 1.7156 0.0007 1.5877 O.co2 1 UNL1 -0.2717 6 C -0.0747 0.0000 0.1901 C.3 1 UNL1 -0.1494 7 C 0.3966 0.0001 1.6545 C.2 1 UNL1 0.5071 @BOND 1 3 6 1 2 1 6 1 3 2 6 1 4 6 7 1 5 5 7 ar 6 7 4 ar