TDT2MOL Cc1cc(Br)c(*)o1])o1 12 12 0 0 0 0 0 -2.0100 0.2000 0.2200 C 0 0 0 3 0 0 -0.5600 -0.0900 0.0100 C 0 0 0 0 0 0 0.5000 0.7900 0.2500 C 0 0 0 1 0 0 1.7000 0.1400 -0.0700 C 0 0 0 0 0 0 3.4500 0.8700 0.0600 Br 0 0 0 0 0 0 1.3800 -1.1500 -0.5200 C 0 0 0 0 0 0 2.2600 -2.0900 -0.9300 R 0 0 0 0 0 0 -0.0200 -1.2900 -0.4700 O 0 0 0 0 0 0 -2.6000 -0.2200 -0.6100 H 0 0 0 0 0 0 -2.3400 -0.2500 1.1700 H 0 0 0 0 0 0 -2.1700 1.2900 0.2600 H 0 0 0 0 0 0 0.4100 1.8200 0.6400 H 0 0 0 0 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 6 8 1 0 9 1 1 0 10 1 1 0 11 1 1 0 12 3 1 0 M END $$$$