TDT2MOL COC(=Cc1nc2ccccc2s1)C(=C(F)F)C(F)(F)F 29 30 0 0 0 0 0 -3.2400 -2.4600 -0.1800 C 0 0 0 3 0 0 -3.1800 -1.4800 0.7500 O 0 0 0 0 0 0 -2.1100 -0.6600 0.4300 C 0 0 0 0 0 0 -0.9300 -1.2200 0.7000 C 0 0 0 1 0 0 0.4600 -0.7200 0.5300 C 0 0 0 0 0 0 1.0000 0.4500 0.0600 N 0 0 0 0 0 0 2.3700 0.5700 0.0500 C 0 0 0 0 0 0 3.0800 1.6900 -0.3900 C 0 0 0 1 0 0 4.4800 1.6700 -0.3500 C 0 0 0 1 0 0 5.1700 0.5500 0.1300 C 0 0 0 1 0 0 4.4600 -0.5700 0.5700 C 0 0 0 1 0 0 3.0700 -0.5400 0.5200 C 0 0 0 0 0 0 1.8700 -1.6700 0.9500 S 0 0 0 0 0 0 -2.5200 0.6600 -0.1200 C 0 0 0 0 0 0 -1.7800 1.6900 -0.5200 C 0 0 0 0 0 0 -2.4600 2.8400 -1.0200 F 0 0 0 0 0 0 -0.3900 1.7300 -0.5000 F 0 0 0 0 0 0 -4.0300 0.8600 -0.2500 C 0 0 0 0 0 0 -4.3300 2.1700 0.1300 F 0 0 0 0 0 0 -4.4000 0.6400 -1.5700 F 0 0 0 0 0 0 -4.6700 -0.0400 0.6000 F 0 0 0 0 0 0 -2.3000 -3.0300 -0.1700 H 0 0 0 0 0 0 -3.3900 -2.0100 -1.1800 H 0 0 0 0 0 0 -4.0800 -3.1300 0.0500 H 0 0 0 0 0 0 -0.9900 -2.2600 1.1300 H 0 0 0 0 0 0 2.5500 2.5800 -0.7700 H 0 0 0 0 0 0 5.0400 2.5600 -0.6900 H 0 0 0 0 0 0 6.2700 0.5500 0.1600 H 0 0 0 0 0 0 4.9800 -1.4500 0.9500 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 13 1 0 5 6 2 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 3 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 22 1 1 0 23 1 1 0 24 1 1 0 25 4 1 0 26 8 1 0 27 9 1 0 28 10 1 0 29 11 1 0 M END $$$$