TDT2MOL Clc1ccc(C=Cc2ccsc2)cc1 23 24 0 0 0 0 0 -4.7600 -2.4600 0.6300 Cl 0 0 0 0 0 0 -3.4400 -1.4100 0.3600 C 0 0 0 0 0 0 -3.6400 -0.1400 -0.2000 C 0 0 0 1 0 0 -2.5600 0.7000 -0.4100 C 0 0 0 1 0 0 -1.2400 0.3000 -0.0900 C 0 0 0 0 0 0 -0.2100 1.3400 -0.3700 C 0 0 0 1 0 0 1.0900 1.5200 -0.3700 C 0 0 0 1 0 0 2.3600 0.7500 -0.1600 C 0 0 0 0 0 0 2.5600 -0.6000 0.0200 C 0 0 0 1 0 0 3.8900 -1.0300 0.1800 C 0 0 0 1 0 0 4.8200 0.4100 0.0700 S 0 0 0 0 0 0 3.5500 1.5300 -0.1800 C 0 0 0 1 0 0 -1.0500 -0.9600 0.4700 C 0 0 0 1 0 0 -2.1500 -1.8100 0.6900 C 0 0 0 1 0 0 -4.6600 0.1900 -0.4600 H 0 0 0 0 0 0 -2.7100 1.7000 -0.8500 H 0 0 0 0 0 0 -0.7500 2.3200 -0.6500 H 0 0 0 0 0 0 1.3600 2.6000 -0.6400 H 0 0 0 0 0 0 1.7500 -1.3500 0.0500 H 0 0 0 0 0 0 4.2200 -2.0600 0.3400 H 0 0 0 0 0 0 3.5900 2.6100 -0.3100 H 0 0 0 0 0 0 -0.0700 -1.3300 0.7700 H 0 0 0 0 0 0 -1.9600 -2.8000 1.1300 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 $$$$