TDT2MOL Brc1ccc(C=Cc2ccsc2)cc1 23 24 0 0 0 0 0 -4.8400 -2.3100 1.4400 Br 0 0 0 0 0 0 -3.4000 -1.2800 0.7600 C 0 0 0 0 0 0 -3.6300 -0.0500 0.1400 C 0 0 0 1 0 0 -2.5600 0.6900 -0.3600 C 0 0 0 1 0 0 -1.2200 0.2100 -0.2500 C 0 0 0 0 0 0 -0.2200 1.1500 -0.8300 C 0 0 0 1 0 0 1.0900 1.3100 -0.9100 C 0 0 0 1 0 0 2.3500 0.6900 -0.3900 C 0 0 0 0 0 0 2.5300 -0.2900 0.5500 C 0 0 0 1 0 0 3.8500 -0.6700 0.8300 C 0 0 0 1 0 0 4.8100 0.3200 -0.2100 S 0 0 0 0 0 0 3.5500 1.2000 -0.9700 C 0 0 0 1 0 0 -1.0100 -1.0100 0.3600 C 0 0 0 1 0 0 -2.0900 -1.7600 0.8700 C 0 0 0 1 0 0 -4.6500 0.3400 0.0500 H 0 0 0 0 0 0 -2.7400 1.6600 -0.8500 H 0 0 0 0 0 0 -0.7600 1.9700 -1.4200 H 0 0 0 0 0 0 1.3500 2.2200 -1.5500 H 0 0 0 0 0 0 1.7100 -0.7800 1.1100 H 0 0 0 0 0 0 4.1800 -1.4300 1.5400 H 0 0 0 0 0 0 3.6100 1.9800 -1.7300 H 0 0 0 0 0 0 -0.0100 -1.4500 0.4600 H 0 0 0 0 0 0 -1.8800 -2.7200 1.3500 H 0 0 0 0 0 0 1 2 1 0 2 14 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 12 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 5 13 1 0 13 14 2 0 15 3 1 0 16 4 1 0 17 6 1 0 18 7 1 0 19 9 1 0 20 10 1 0 21 12 1 0 22 13 1 0 23 14 1 0 M END $$$$