TDT2MOL CCS(=O)Cc1ccccc1C(=O)*21F] 25 25 0 0 0 0 0 4.1100 -0.0200 0.5100 C 0 0 0 3 0 0 2.9300 0.8500 0.8200 C 0 0 0 2 0 0 1.6400 0.5800 -0.4000 S 0 0 0 0 0 0 1.5700 1.4200 -1.5900 O 0 0 0 0 0 0 0.4200 -0.7200 -0.1500 C 0 0 0 2 0 0 -0.9600 -0.1400 -0.2300 C 0 0 0 0 0 0 -1.1300 1.2300 -0.4400 C 0 0 0 1 0 0 -2.4200 1.7700 -0.5100 C 0 0 0 1 0 0 -3.5400 0.9400 -0.3800 C 0 0 0 1 0 0 -3.3700 -0.4400 -0.1700 C 0 0 0 1 0 0 -2.0800 -0.9700 -0.1000 C 0 0 0 0 0 0 -1.8900 -2.4500 0.1200 C 0 0 0 0 0 0 -0.7300 -2.9300 0.1900 O 0 0 0 0 0 0 -3.0000 -3.2800 0.2600 R 0 0 0 0 0 0 4.5000 0.2300 -0.4900 H 0 0 0 0 0 0 3.8000 -1.0800 0.5200 H 0 0 0 0 0 0 4.8900 0.1400 1.2600 H 0 0 0 0 0 0 3.2400 1.9100 0.8000 H 0 0 0 0 0 0 2.5400 0.6000 1.8200 H 0 0 0 0 0 0 0.5700 -1.1700 0.8400 H 0 0 0 0 0 0 0.5400 -1.4900 -0.9300 H 0 0 0 0 0 0 -0.2600 1.8900 -0.5500 H 0 0 0 0 0 0 -2.5600 2.8500 -0.6800 H 0 0 0 0 0 0 -4.5500 1.3600 -0.4400 H 0 0 0 0 0 0 -4.2400 -1.0900 -0.0700 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 15 1 1 0 16 1 1 0 17 1 1 0 18 2 1 0 19 2 1 0 20 5 1 0 21 5 1 0 22 7 1 0 23 8 1 0 24 9 1 0 25 10 1 0 M END $$$$