TDT2MOL Clc1c(Br)csc1Br 9 9 0 0 0 0 0 1.1100 2.2500 0.2100 Cl 0 0 0 0 0 0 0.5000 0.6400 0.0600 C 0 0 0 0 0 0 -0.8600 0.3800 0.0400 C 0 0 0 0 0 0 -2.1600 1.7900 0.1700 Br 0 0 0 0 0 0 -1.2200 -0.9600 -0.0900 C 0 0 0 1 0 0 0.2700 -1.8100 -0.1700 S 0 0 0 0 0 0 1.3500 -0.4600 -0.0500 C 0 0 0 0 0 0 3.2400 -0.4700 -0.0500 Br 0 0 0 0 0 0 -2.2400 -1.3700 -0.1300 H 0 0 0 0 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 9 5 1 0 M END $$$$