TDT2MOL BrC1=CC=C(Br)C1 11 11 0 0 0 0 0 -2.6700 -0.3000 -1.4500 Br 0 0 0 0 0 0 -1.0700 -0.2200 -0.5200 C 0 0 0 0 0 0 -0.6100 -1.1700 0.3600 C 0 0 0 1 0 0 0.7400 -0.7200 0.9000 C 0 0 0 1 0 0 1.0500 0.4900 0.3400 C 0 0 0 0 0 0 2.5900 1.4700 0.6700 Br 0 0 0 0 0 0 -0.0600 0.9300 -0.6200 C 0 0 0 2 0 0 -1.1200 -2.0800 0.6200 H 0 0 0 0 0 0 1.3400 -1.2600 1.6100 H 0 0 0 0 0 0 -0.5100 1.8500 -0.2700 H 0 0 0 0 0 0 0.3300 0.9900 -1.6300 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 8 3 1 0 9 4 1 0 10 7 1 0 11 7 1 0 M END $$$$