TDT2MOL COC(=O)CC(C(=O)C)C(C)(CNC(=O)C)OC 39 38 0 0 0 0 0 2.2300 3.0400 0.0100 C 0 0 0 3 0 0 1.3000 2.3700 -0.7000 O 0 0 0 0 0 0 1.1900 1.1200 -0.2000 C 0 0 0 0 0 0 1.5100 0.9200 0.9900 O 0 0 0 0 0 0 0.7000 -0.0100 -1.0500 C 0 0 0 2 0 0 0.3800 -1.2200 -0.2400 C 0 0 0 1 0 0 1.5300 -1.5500 0.6700 C 0 0 0 0 0 0 1.7100 -0.9300 1.7300 O 0 0 0 0 0 0 2.4700 -2.6600 0.2800 C 0 0 0 3 0 0 -0.9000 -1.0600 0.5300 C 0 0 0 0 0 0 -1.1100 -2.3000 1.3800 C 0 0 0 3 0 0 -0.8600 0.1400 1.4300 C 0 0 0 2 0 0 -0.8100 1.3900 0.7100 N 0 0 0 1 0 0 -1.8000 1.7100 -0.3000 C 0 0 0 0 0 0 -2.7100 0.9000 -0.5700 O 0 0 0 0 0 0 -1.7400 3.0200 -1.0200 C 0 0 0 3 0 0 -1.9600 -0.9200 -0.2900 O 0 0 0 0 0 0 -1.9400 -1.7000 -1.3700 C 0 0 0 3 0 0 1.9300 3.1000 1.0600 H 0 0 0 0 0 0 2.3200 4.0600 -0.4000 H 0 0 0 0 0 0 3.2000 2.5300 -0.0700 H 0 0 0 0 0 0 1.5000 -0.2300 -1.7800 H 0 0 0 0 0 0 -0.1800 0.3300 -1.6200 H 0 0 0 0 0 0 0.2500 -2.1000 -0.9100 H 0 0 0 0 0 0 2.5800 -3.3600 1.1200 H 0 0 0 0 0 0 2.0600 -3.1900 -0.6000 H 0 0 0 0 0 0 3.4500 -2.2300 0.0200 H 0 0 0 0 0 0 -0.2600 -2.3900 2.0800 H 0 0 0 0 0 0 -2.0400 -2.2000 1.9500 H 0 0 0 0 0 0 -1.1500 -3.1800 0.7400 H 0 0 0 0 0 0 0.0200 0.0600 2.0900 H 0 0 0 0 0 0 -1.7700 0.1600 2.0700 H 0 0 0 0 0 0 -0.1200 2.0700 0.9400 H 0 0 0 0 0 0 -2.3300 2.9600 -1.9500 H 0 0 0 0 0 0 -0.6900 3.2500 -1.2800 H 0 0 0 0 0 0 -2.1400 3.8200 -0.3800 H 0 0 0 0 0 0 -1.7000 -2.7400 -1.1200 H 0 0 0 0 0 0 -2.9400 -1.6700 -1.8500 H 0 0 0 0 0 0 -1.2000 -1.3200 -2.1000 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 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 10 17 1 0 17 18 1 0 19 1 1 0 20 1 1 0 21 1 1 0 22 5 1 0 23 5 1 0 24 6 1 0 25 9 1 0 26 9 1 0 27 9 1 0 28 11 1 0 29 11 1 0 30 11 1 0 31 12 1 0 32 12 1 0 33 13 1 0 34 16 1 0 35 16 1 0 36 16 1 0 37 18 1 0 38 18 1 0 39 18 1 0 M END $$$$