TDT2MOL Clc1ccsc1Br 9 9 0 0 0 0 0 1.0100 2.3400 0.1900 Cl 0 0 0 0 0 0 0.4300 0.7200 0.0300 C 0 0 0 0 0 0 -0.9100 0.4100 0.2400 C 0 0 0 1 0 0 -1.2500 -0.9300 0.0900 C 0 0 0 1 0 0 0.2300 -1.7200 -0.3200 S 0 0 0 0 0 0 1.2700 -0.3400 -0.3000 C 0 0 0 0 0 0 3.1200 -0.2800 -0.6500 Br 0 0 0 0 0 0 -1.6500 1.1900 0.5100 H 0 0 0 0 0 0 -2.2400 -1.3800 0.2100 H 0 0 0 0 0 0 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 8 3 1 0 9 4 1 0 M END $$$$