TDT2MOL BrC1=CC(=C(Br)C1)Br 11 11 0 0 0 0 0 2.9600 -0.9400 0.0000 Br 0 0 0 0 0 0 1.2200 -0.3000 0.0100 C 0 0 0 0 0 0 0.8700 1.0100 0.1400 C 0 0 0 1 0 0 -0.6600 1.1200 0.1000 C 0 0 0 0 0 0 -1.1700 -0.1500 -0.0600 C 0 0 0 0 0 0 -2.9700 -0.5700 -0.1700 Br 0 0 0 0 0 0 -0.0300 -1.1700 -0.1300 C 0 0 0 2 0 0 -1.6200 2.6900 0.2400 Br 0 0 0 0 0 0 1.5400 1.8500 0.2600 H 0 0 0 0 0 0 -0.1000 -1.8600 0.7000 H 0 0 0 0 0 0 -0.0300 -1.6600 -1.1000 H 0 0 0 0 0 0 1 2 1 0 2 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 4 8 1 0 9 3 1 0 10 7 1 0 11 7 1 0 M END $$$$