TDT2MOL COc1cc2sc3ccccc3n2c(=O)c1C(F)(F)F 28 30 0 0 0 0 0 -4.3300 -0.0700 0.5200 C 0 0 0 3 0 0 -3.6200 -0.1700 -0.6200 O 0 0 0 0 0 0 -2.2500 -0.1000 -0.3600 C 0 0 0 0 0 0 -1.7700 0.0500 0.9400 C 0 0 0 1 0 0 -0.4000 0.1100 1.1400 C 0 0 0 0 0 0 0.5500 0.2800 2.5600 S 0 0 0 0 0 0 2.0900 0.2500 1.8200 C 0 0 0 0 0 0 3.3800 0.3400 2.3300 C 0 0 0 1 0 0 4.4600 0.2800 1.4400 C 0 0 0 1 0 0 4.2200 0.1300 0.0700 C 0 0 0 1 0 0 2.9200 0.0400 -0.4300 C 0 0 0 1 0 0 1.8400 0.1000 0.4600 C 0 0 0 0 0 0 0.5100 0.0300 0.1000 N 0 0 0 0 0 0 0.0300 -0.1200 -1.2100 C 0 0 0 0 0 0 0.8300 -0.2000 -2.1700 O 0 0 0 0 0 0 -1.3500 -0.1900 -1.4300 C 0 0 0 0 0 0 -1.8600 -0.3500 -2.8300 C 0 0 0 0 0 0 -0.8000 -0.6200 -3.6900 F 0 0 0 0 0 0 -2.7800 -1.4000 -2.8600 F 0 0 0 0 0 0 -2.5000 0.8400 -3.2200 F 0 0 0 0 0 0 -5.4000 -0.1300 0.3000 H 0 0 0 0 0 0 -4.0600 -0.9000 1.2000 H 0 0 0 0 0 0 -4.1100 0.8900 1.0100 H 0 0 0 0 0 0 -2.4500 0.1200 1.8000 H 0 0 0 0 0 0 3.5300 0.4600 3.4100 H 0 0 0 0 0 0 5.4900 0.3500 1.8300 H 0 0 0 0 0 0 5.0700 0.0800 -0.6300 H 0 0 0 0 0 0 2.7500 -0.0800 -1.5100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 16 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 21 1 1 0 22 1 1 0 23 1 1 0 24 4 1 0 25 8 1 0 26 9 1 0 27 10 1 0 28 11 1 0 M END $$$$