TDT2MOL Brc1ccc(Br)s1 9 9 0 0 0 0 0 -3.1100 0.1300 -1.0900 Br 0 0 0 0 0 0 -1.2800 0.0700 -0.6200 C 0 0 0 0 0 0 -0.7300 -0.0700 0.6500 C 0 0 0 1 0 0 0.6600 -0.0800 0.7200 C 0 0 0 1 0 0 1.3300 0.0500 -0.4900 C 0 0 0 0 0 0 3.2100 0.0800 -0.7600 Br 0 0 0 0 0 0 0.0900 0.1900 -1.6800 S 0 0 0 0 0 0 -1.3600 -0.1700 1.5600 H 0 0 0 0 0 0 1.1900 -0.1900 1.7000 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 $$$$