TDT2MOL CCSC(OC(=O)C)c1ccccc1C(=O)*21F] 30 30 0 0 0 0 0 -3.4500 0.7500 0.3300 C 0 0 0 3 0 0 -2.9000 -0.5400 0.8500 C 0 0 0 2 0 0 -1.1700 -0.3400 1.2700 S 0 0 0 0 0 0 -0.0500 -0.3100 -0.1200 C 0 0 0 1 0 0 0.6600 -1.4700 -0.1600 O 0 0 0 0 0 0 -0.2100 -2.4900 -0.3400 C 0 0 0 0 0 0 -1.3200 -2.2600 -0.8500 O 0 0 0 0 0 0 0.1700 -3.8800 0.0700 C 0 0 0 3 0 0 0.9300 0.8200 0.0700 C 0 0 0 0 0 0 0.9700 1.5000 1.2900 C 0 0 0 1 0 0 1.8800 2.5500 1.4700 C 0 0 0 1 0 0 2.7500 2.9100 0.4300 C 0 0 0 1 0 0 2.7100 2.2300 -0.7900 C 0 0 0 1 0 0 1.8000 1.1800 -0.9700 C 0 0 0 0 0 0 1.7600 0.4400 -2.2700 C 0 0 0 0 0 0 2.5400 0.7600 -3.2000 O 0 0 0 0 0 0 0.8500 -0.6100 -2.4600 R 0 0 0 0 0 0 -2.9000 1.0500 -0.5700 H 0 0 0 0 0 0 -3.3400 1.5300 1.1000 H 0 0 0 0 0 0 -4.5200 0.6300 0.0900 H 0 0 0 0 0 0 -3.4500 -0.8400 1.7600 H 0 0 0 0 0 0 -3.0100 -1.3200 0.0900 H 0 0 0 0 0 0 -0.5400 -0.1700 -1.0900 H 0 0 0 0 0 0 -0.3500 -4.6100 -0.5800 H 0 0 0 0 0 0 1.2600 -4.0200 -0.0400 H 0 0 0 0 0 0 -0.1100 -4.0500 1.1200 H 0 0 0 0 0 0 0.2900 1.2200 2.1000 H 0 0 0 0 0 0 1.9100 3.0900 2.4300 H 0 0 0 0 0 0 3.4600 3.7400 0.5700 H 0 0 0 0 0 0 3.3900 2.5100 -1.6000 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 4 9 1 0 9 14 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 18 1 1 0 19 1 1 0 20 1 1 0 21 2 1 0 22 2 1 0 23 4 1 0 24 8 1 0 25 8 1 0 26 8 1 0 27 10 1 0 28 11 1 0 29 12 1 0 30 13 1 0 M END $$$$