TDT2MOL Cc1ccc(C=Cc2ccsc2)cc1 26 27 0 0 0 0 0 -4.5800 -0.4600 -0.2300 C 0 0 0 3 0 0 -3.1500 -0.0400 -0.0700 C 0 0 0 0 0 0 -2.8300 1.2600 0.3400 C 0 0 0 1 0 0 -1.5000 1.6400 0.4800 C 0 0 0 1 0 0 -0.4400 0.7200 0.2200 C 0 0 0 0 0 0 0.9000 1.3400 0.4400 C 0 0 0 1 0 0 2.2000 1.0700 0.3800 C 0 0 0 1 0 0 3.1400 -0.0500 0.0400 C 0 0 0 0 0 0 2.8900 -1.3400 -0.3700 C 0 0 0 1 0 0 4.0100 -2.1500 -0.6000 C 0 0 0 1 0 0 5.3600 -1.1400 -0.2500 S 0 0 0 0 0 0 4.5100 0.2800 0.1800 C 0 0 0 1 0 0 -0.7600 -0.5600 -0.1800 C 0 0 0 1 0 0 -2.1100 -0.9400 -0.3300 C 0 0 0 1 0 0 -5.2000 0.0900 0.4800 H 0 0 0 0 0 0 -4.9100 -0.2500 -1.2600 H 0 0 0 0 0 0 -4.6700 -1.5400 -0.0400 H 0 0 0 0 0 0 -3.6300 1.9800 0.5400 H 0 0 0 0 0 0 -1.2400 2.6600 0.8000 H 0 0 0 0 0 0 0.7500 2.4300 0.7700 H 0 0 0 0 0 0 2.8100 1.9900 0.6800 H 0 0 0 0 0 0 1.8800 -1.7600 -0.5200 H 0 0 0 0 0 0 4.0000 -3.1900 -0.9300 H 0 0 0 0 0 0 4.9000 1.2600 0.5000 H 0 0 0 0 0 0 -0.0100 -1.3200 -0.4000 H 0 0 0 0 0 0 -2.3300 -1.9700 -0.6500 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 1 1 0 16 1 1 0 17 1 1 0 18 3 1 0 19 4 1 0 20 6 1 0 21 7 1 0 22 9 1 0 23 10 1 0 24 12 1 0 25 13 1 0 26 14 1 0 M END $$$$