TDT2MOL CC(C)c1ccc(C=Cc2ccsc2)cc1 32 33 0 0 0 0 0 4.2600 0.6500 1.2300 C 0 0 0 3 0 0 3.8300 0.3300 -0.1700 C 0 0 0 1 0 0 4.5200 -0.9200 -0.6300 C 0 0 0 3 0 0 2.3400 0.1200 -0.1900 C 0 0 0 0 0 0 1.8000 -1.1200 -0.5400 C 0 0 0 1 0 0 0.4200 -1.3100 -0.5600 C 0 0 0 1 0 0 -0.4400 -0.2500 -0.2200 C 0 0 0 0 0 0 -1.9200 -0.5000 -0.2500 C 0 0 0 1 0 0 -2.8000 0.4600 0.0600 C 0 0 0 1 0 0 -4.2800 0.1100 0.0000 C 0 0 0 0 0 0 -5.2300 1.0600 0.3100 C 0 0 0 1 0 0 -6.5600 0.6500 0.2300 C 0 0 0 1 0 0 -6.4700 -1.0000 -0.2600 S 0 0 0 0 0 0 -4.7500 -1.1500 -0.3600 C 0 0 0 1 0 0 0.1000 0.9900 0.1300 C 0 0 0 1 0 0 1.4900 1.1800 0.1500 C 0 0 0 1 0 0 3.7600 1.5700 1.5700 H 0 0 0 0 0 0 5.3500 0.8100 1.2500 H 0 0 0 0 0 0 4.0000 -0.1800 1.9000 H 0 0 0 0 0 0 4.0800 1.1700 -0.8300 H 0 0 0 0 0 0 4.2700 -1.7500 0.0400 H 0 0 0 0 0 0 5.6100 -0.7600 -0.6200 H 0 0 0 0 0 0 4.2000 -1.1600 -1.6600 H 0 0 0 0 0 0 2.4700 -1.9600 -0.8100 H 0 0 0 0 0 0 0.0000 -2.2900 -0.8300 H 0 0 0 0 0 0 -2.2700 -1.5000 -0.5400 H 0 0 0 0 0 0 -2.5100 1.4700 0.3500 H 0 0 0 0 0 0 -4.9500 2.0900 0.6100 H 0 0 0 0 0 0 -7.4600 1.2400 0.4400 H 0 0 0 0 0 0 -4.1800 -2.0400 -0.6400 H 0 0 0 0 0 0 -0.5600 1.8300 0.4000 H 0 0 0 0 0 0 1.9000 2.1500 0.4300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 16 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 7 15 1 0 15 16 2 0 17 1 1 0 18 1 1 0 19 1 1 0 20 2 1 0 21 3 1 0 22 3 1 0 23 3 1 0 24 5 1 0 25 6 1 0 26 8 1 0 27 9 1 0 28 11 1 0 29 12 1 0 30 14 1 0 31 15 1 0 32 16 1 0 M END $$$$