TDT2MOL COC(=O)Cc1cc(OC)c(OC)cc1C(=O)CC(=CC(=C(C)*)*)C(=C)*21F]21F]21F] 49 49 0 0 0 0 0 3.9800 -3.4700 0.6900 C 0 0 0 3 0 0 2.9800 -2.8400 0.0300 O 0 0 0 0 0 0 2.0900 -2.3600 0.9300 C 0 0 0 0 0 0 2.2500 -2.5900 2.1500 O 0 0 0 0 0 0 0.9100 -1.5500 0.4600 C 0 0 0 2 0 0 1.3200 -0.1100 0.3600 C 0 0 0 0 0 0 2.4800 0.2700 1.0400 C 0 0 0 1 0 0 2.9400 1.6000 1.0000 C 0 0 0 0 0 0 4.1000 1.9200 1.6900 O 0 0 0 0 0 0 4.4200 3.2200 1.5700 C 0 0 0 3 0 0 2.2100 2.5500 0.2700 C 0 0 0 0 0 0 2.6500 3.8700 0.2300 O 0 0 0 0 0 0 1.8300 4.6400 -0.5100 C 0 0 0 3 0 0 1.0500 2.1600 -0.4000 C 0 0 0 1 0 0 0.6000 0.8300 -0.3600 C 0 0 0 0 0 0 -0.6600 0.5300 -1.1200 C 0 0 0 0 0 0 -1.2200 1.4700 -1.7300 O 0 0 0 0 0 0 -1.2800 -0.8300 -1.1900 C 0 0 0 2 0 0 -2.7000 -0.6800 -1.6800 C 0 0 0 0 0 0 -3.7800 -1.0500 -0.9700 C 0 0 0 1 0 0 -3.7500 -1.6500 0.4000 C 0 0 0 0 0 0 -4.9500 -1.9600 0.9700 C 0 0 0 0 0 0 -4.9600 -2.5600 2.3400 C 0 0 0 3 0 0 -6.1400 -1.7200 0.2800 R 0 0 0 0 0 0 -2.6000 -1.9100 1.1300 R 0 0 0 0 0 0 -2.8400 -0.0800 -3.0600 C 0 0 0 0 0 0 -4.0000 0.1300 -3.6800 C 0 0 0 2 0 0 -1.6400 0.2700 -3.7200 R 0 0 0 0 0 0 3.5700 -4.3100 1.2700 H 0 0 0 0 0 0 4.7100 -3.8500 -0.0500 H 0 0 0 0 0 0 4.4800 -2.7600 1.3600 H 0 0 0 0 0 0 0.1000 -1.6600 1.1900 H 0 0 0 0 0 0 0.6000 -1.9300 -0.5200 H 0 0 0 0 0 0 3.0500 -0.4800 1.6100 H 0 0 0 0 0 0 5.3400 3.4200 2.1300 H 0 0 0 0 0 0 3.6100 3.8500 1.9700 H 0 0 0 0 0 0 4.5800 3.4700 0.5100 H 0 0 0 0 0 0 2.2200 5.6800 -0.5200 H 0 0 0 0 0 0 1.8000 4.2700 -1.5500 H 0 0 0 0 0 0 0.8200 4.6400 -0.0800 H 0 0 0 0 0 0 0.4700 2.9000 -0.9800 H 0 0 0 0 0 0 -0.7400 -1.4500 -1.9200 H 0 0 0 0 0 0 -1.2700 -1.3100 -0.2100 H 0 0 0 0 0 0 -4.7800 -0.9000 -1.4200 H 0 0 0 0 0 0 -5.9700 -2.9300 2.5700 H 0 0 0 0 0 0 -4.6600 -1.8100 3.0800 H 0 0 0 0 0 0 -4.2500 -3.4100 2.3800 H 0 0 0 0 0 0 -4.9700 -0.1100 -3.2300 H 0 0 0 0 0 0 -3.9900 0.5800 -4.6900 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 15 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 21 25 1 0 19 26 1 0 26 27 2 0 26 28 1 0 29 1 1 0 30 1 1 0 31 1 1 0 32 5 1 0 33 5 1 0 34 7 1 0 35 10 1 0 36 10 1 0 37 10 1 0 38 13 1 0 39 13 1 0 40 13 1 0 41 14 1 0 42 18 1 0 43 18 1 0 44 20 1 0 45 23 1 0 46 23 1 0 47 23 1 0 48 27 1 0 49 27 1 0 M END $$$$