TDT2MOL COc1ccc(OC)c(c1)c2cc(co2)C(CC=C(C)C)OC(=O)*21F] 46 47 0 0 0 0 0 -6.8600 -1.9500 1.1500 C 0 0 0 3 0 0 -5.5600 -2.2300 0.9800 O 0 0 0 0 0 0 -4.8900 -1.1200 0.4500 C 0 0 0 0 0 0 -5.5600 0.0700 0.1700 C 0 0 0 1 0 0 -4.8600 1.1500 -0.3600 C 0 0 0 1 0 0 -3.4800 1.0600 -0.6100 C 0 0 0 0 0 0 -2.8300 2.1800 -1.1400 O 0 0 0 0 0 0 -1.5200 1.9600 -1.3300 C 0 0 0 3 0 0 -2.8000 -0.1300 -0.3200 C 0 0 0 0 0 0 -3.5100 -1.2200 0.2100 C 0 0 0 1 0 0 -1.3800 -0.2800 -0.5600 C 0 0 0 0 0 0 -0.3600 -0.0300 0.3600 C 0 0 0 1 0 0 0.8600 -0.3200 -0.2600 C 0 0 0 0 0 0 0.6000 -0.7400 -1.5600 C 0 0 0 1 0 0 -0.7900 -0.7200 -1.7500 O 0 0 0 0 0 0 2.2200 -0.1800 0.3600 C 0 0 0 1 0 0 3.1000 0.6500 -0.5200 C 0 0 0 2 0 0 4.4600 0.8000 0.0900 C 0 0 0 1 0 0 5.3400 -0.2200 0.1100 C 0 0 0 0 0 0 5.0200 -1.5600 -0.4700 C 0 0 0 3 0 0 6.6900 0.0000 0.7400 C 0 0 0 3 0 0 2.1200 0.4000 1.5700 O 0 0 0 0 0 0 1.5600 1.6300 1.4300 C 0 0 0 0 0 0 0.9400 1.8900 0.3700 O 0 0 0 0 0 0 1.6800 2.5800 2.4400 R 0 0 0 0 0 0 -7.3200 -1.7000 0.1900 H 0 0 0 0 0 0 -6.9800 -1.1100 1.8500 H 0 0 0 0 0 0 -7.3700 -2.8400 1.5800 H 0 0 0 0 0 0 -6.6400 0.1600 0.3500 H 0 0 0 0 0 0 -5.3800 2.0900 -0.5900 H 0 0 0 0 0 0 -1.0500 1.6800 -0.3700 H 0 0 0 0 0 0 -1.3800 1.1500 -2.0600 H 0 0 0 0 0 0 -1.0500 2.8800 -1.7100 H 0 0 0 0 0 0 -2.9700 -2.1500 0.4300 H 0 0 0 0 0 0 -0.4900 0.3200 1.4000 H 0 0 0 0 0 0 1.3500 -1.0400 -2.3100 H 0 0 0 0 0 0 2.6700 -1.1800 0.4800 H 0 0 0 0 0 0 3.1800 0.1800 -1.5100 H 0 0 0 0 0 0 2.6500 1.6500 -0.6400 H 0 0 0 0 0 0 4.7400 1.7700 0.5300 H 0 0 0 0 0 0 5.0300 -2.3200 0.3300 H 0 0 0 0 0 0 5.7700 -1.8200 -1.2300 H 0 0 0 0 0 0 4.0200 -1.5400 -0.9400 H 0 0 0 0 0 0 6.5700 0.1000 1.8300 H 0 0 0 0 0 0 7.3300 -0.8600 0.5200 H 0 0 0 0 0 0 7.1400 0.9100 0.3300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 10 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 2 0 9 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 16 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 26 1 1 0 27 1 1 0 28 1 1 0 29 4 1 0 30 5 1 0 31 8 1 0 32 8 1 0 33 8 1 0 34 10 1 0 35 12 1 0 36 14 1 0 37 16 1 0 38 17 1 0 39 17 1 0 40 18 1 0 41 20 1 0 42 20 1 0 43 20 1 0 44 21 1 0 45 21 1 0 46 21 1 0 M END $$$$