TDT2MOL Brc1ccc(s1)c2ccc(Br)s2 16 17 0 0 0 0 0 -4.9900 -0.6000 -1.4000 Br 0 0 0 0 0 0 -3.2600 -0.3800 -0.6600 C 0 0 0 0 0 0 -2.9400 -0.0400 0.6600 C 0 0 0 1 0 0 -1.5900 0.0600 0.9500 C 0 0 0 1 0 0 -0.7200 -0.2000 -0.1100 C 0 0 0 0 0 0 -1.7400 -0.5600 -1.4500 S 0 0 0 0 0 0 0.7200 -0.1700 -0.0700 C 0 0 0 0 0 0 1.5600 0.8300 -0.5600 C 0 0 0 1 0 0 2.9200 0.6100 -0.3900 C 0 0 0 1 0 0 3.2900 -0.5800 0.2300 C 0 0 0 0 0 0 5.0300 -1.2000 0.6100 Br 0 0 0 0 0 0 1.7900 -1.3600 0.5800 S 0 0 0 0 0 0 -3.7100 0.1500 1.4300 H 0 0 0 0 0 0 -1.2300 0.3200 1.9700 H 0 0 0 0 0 0 1.1800 1.7600 -1.0400 H 0 0 0 0 0 0 3.6800 1.3500 -0.7500 H 0 0 0 0 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 13 3 1 0 14 4 1 0 15 8 1 0 16 9 1 0 M END $$$$