TDT2MOL Brc1ccc(Br)o1 9 9 0 0 0 0 0 -2.9000 -0.7800 -0.9800 Br 0 0 0 0 0 0 -1.1100 -0.3800 -0.4700 C 0 0 0 0 0 0 -0.7200 0.5200 0.5300 C 0 0 0 1 0 0 0.6800 0.5200 0.5900 C 0 0 0 1 0 0 1.1500 -0.3800 -0.3700 C 0 0 0 0 0 0 2.9700 -0.7800 -0.7200 Br 0 0 0 0 0 0 0.0400 -0.9400 -1.0200 O 0 0 0 0 0 0 -1.4000 1.1200 1.1600 H 0 0 0 0 0 0 1.2900 1.1200 1.2700 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 M END $$$$