TDT2MOL Clc1sc(I)cc1Br 9 9 0 0 0 0 0 2.9500 -0.1200 0.9700 Cl 0 0 0 0 0 0 1.3300 0.1100 0.5600 C 0 0 0 0 0 0 0.2700 1.3600 1.0900 S 0 0 0 0 0 0 -1.1500 0.8800 0.2300 C 0 0 0 0 0 0 -2.9800 1.7700 0.2300 I 0 0 0 0 0 0 -0.7600 -0.2700 -0.4700 C 0 0 0 1 0 0 0.5500 -0.6700 -0.2900 C 0 0 0 0 0 0 1.2500 -2.2300 -1.1800 Br 0 0 0 0 0 0 -1.4600 -0.8300 -1.1300 H 0 0 0 0 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 9 6 1 0 M END $$$$