TDT2MOL COC(=O)C#CC(=N(O)Cc1ccccc1)C2COC(C)(C)O2 44 45 0 0 0 0 0 4.4700 4.4500 0.1500 C 0 0 0 3 0 0 3.3800 3.8200 0.6400 O 0 0 0 0 0 0 2.7200 3.2100 -0.3700 C 0 0 0 0 0 0 3.0300 3.4800 -1.5600 O 0 0 0 0 0 0 1.6300 2.2200 -0.0800 C 0 0 0 0 0 0 0.9000 1.2700 -0.0900 C 0 0 0 0 0 0 0.1500 0.0000 -0.4100 C 0 0 0 0 0 0 -1.0800 0.0500 -0.6200 N 0 0 0 1 0 0 -1.5500 -1.2000 -0.8100 O 0 0 0 1 0 0 -1.7300 0.6500 0.5200 C 0 0 0 2 0 0 -3.2100 0.7300 0.2600 C 0 0 0 0 0 0 -4.1100 0.2300 1.2100 C 0 0 0 1 0 0 -5.4900 0.3000 0.9700 C 0 0 0 1 0 0 -5.9600 0.8700 -0.2200 C 0 0 0 1 0 0 -5.0600 1.3800 -1.1700 C 0 0 0 1 0 0 -3.6800 1.3000 -0.9200 C 0 0 0 1 0 0 0.9200 -1.2400 -0.7500 C 0 0 0 1 0 0 2.3900 -1.0400 -0.9000 C 0 0 0 2 0 0 2.9300 -2.2100 -0.4200 O 0 0 0 0 0 0 1.9900 -2.8000 0.3600 C 0 0 0 0 0 0 1.8000 -4.2200 -0.1000 C 0 0 0 3 0 0 2.4600 -2.7900 1.7800 C 0 0 0 3 0 0 0.8100 -2.1400 0.2700 O 0 0 0 0 0 0 5.0100 4.9400 0.9800 H 0 0 0 0 0 0 5.1300 3.7100 -0.3200 H 0 0 0 0 0 0 4.1600 5.2000 -0.5900 H 0 0 0 0 0 0 -1.2500 0.6000 -1.4400 H 0 0 0 0 0 0 -1.3900 -1.7200 -0.0300 H 0 0 0 0 0 0 -1.3400 1.6700 0.6800 H 0 0 0 0 0 0 -1.5500 0.0500 1.4200 H 0 0 0 0 0 0 -3.7400 -0.2200 2.1400 H 0 0 0 0 0 0 -6.2000 -0.0900 1.7100 H 0 0 0 0 0 0 -7.0500 0.9300 -0.4100 H 0 0 0 0 0 0 -5.4300 1.8300 -2.1000 H 0 0 0 0 0 0 -2.9700 1.7000 -1.6700 H 0 0 0 0 0 0 0.4700 -1.7100 -1.6400 H 0 0 0 0 0 0 2.7700 -0.2300 -0.2700 H 0 0 0 0 0 0 2.7200 -0.8900 -1.9300 H 0 0 0 0 0 0 1.0500 -4.7100 0.5400 H 0 0 0 0 0 0 2.7500 -4.7600 -0.0200 H 0 0 0 0 0 0 1.4500 -4.2300 -1.1400 H 0 0 0 0 0 0 2.6000 -1.7500 2.1100 H 0 0 0 0 0 0 3.4100 -3.3300 1.8600 H 0 0 0 0 0 0 1.7100 -3.2800 2.4200 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 3 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 7 17 1 0 17 23 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 8 1 0 28 9 1 0 29 10 1 0 30 10 1 0 31 12 1 0 32 13 1 0 33 14 1 0 34 15 1 0 35 16 1 0 36 17 1 0 37 18 1 0 38 18 1 0 39 21 1 0 40 21 1 0 41 21 1 0 42 22 1 0 43 22 1 0 44 22 1 0 M END $$$$