TDT2MOL COCC1N=C(OC1c2ccccc2)c3cc(C(=O)OC(C)(C)C)c(C)nc3C 57 59 0 0 0 0 0 -2.1100 0.1400 1.7000 C 0 0 0 3 0 0 -3.2500 -0.4800 2.0000 O 0 0 0 0 0 0 -3.1700 -1.8200 1.8300 C 0 0 0 2 0 0 -2.7600 -2.1500 0.4400 C 0 0 0 1 0 0 -1.3400 -1.7000 0.2200 N 0 0 0 0 0 0 -1.3000 -1.1000 -0.9000 C 0 0 0 0 0 0 -2.5000 -1.0300 -1.5500 O 0 0 0 0 0 0 -3.4700 -1.4200 -0.6500 C 0 0 0 1 0 0 -4.1400 -0.1500 -0.2100 C 0 0 0 0 0 0 -5.3600 -0.2100 0.4800 C 0 0 0 1 0 0 -5.9900 0.9800 0.8900 C 0 0 0 1 0 0 -5.3900 2.2200 0.6100 C 0 0 0 1 0 0 -4.1700 2.2700 -0.0800 C 0 0 0 1 0 0 -3.5500 1.0800 -0.4900 C 0 0 0 1 0 0 -0.0600 -0.5200 -1.4500 C 0 0 0 0 0 0 1.1500 -0.6300 -0.7500 C 0 0 0 1 0 0 2.3200 -0.0800 -1.2800 C 0 0 0 0 0 0 3.6200 -0.1900 -0.5400 C 0 0 0 0 0 0 4.6700 0.2900 -1.0000 O 0 0 0 0 0 0 3.7300 -0.7900 0.6500 O 0 0 0 0 0 0 4.5700 -0.2000 1.5000 C 0 0 0 0 0 0 5.2500 -1.3100 2.2900 C 0 0 0 3 0 0 5.6300 0.6700 0.9000 C 0 0 0 3 0 0 3.7600 0.6200 2.4800 C 0 0 0 3 0 0 2.2900 0.5800 -2.5200 C 0 0 0 0 0 0 3.5500 1.1700 -3.0900 C 0 0 0 3 0 0 1.0800 0.6900 -3.2200 N 0 0 0 0 0 0 -0.0900 0.1400 -2.6900 C 0 0 0 0 0 0 -1.3800 0.2600 -3.4400 C 0 0 0 3 0 0 -1.2500 -0.3500 2.1700 H 0 0 0 0 0 0 -2.1600 1.1900 2.0500 H 0 0 0 0 0 0 -1.9600 0.1500 0.6000 H 0 0 0 0 0 0 -2.4600 -2.2400 2.5500 H 0 0 0 0 0 0 -4.1700 -2.2500 2.0300 H 0 0 0 0 0 0 -2.7400 -3.2400 0.3000 H 0 0 0 0 0 0 -4.2000 -2.0300 -1.1900 H 0 0 0 0 0 0 -5.8300 -1.1800 0.7000 H 0 0 0 0 0 0 -6.9400 0.9400 1.4300 H 0 0 0 0 0 0 -5.8800 3.1500 0.9300 H 0 0 0 0 0 0 -3.7100 3.2400 -0.3000 H 0 0 0 0 0 0 -2.5900 1.1300 -1.0300 H 0 0 0 0 0 0 1.1800 -1.1400 0.2200 H 0 0 0 0 0 0 4.5000 -1.9300 2.8000 H 0 0 0 0 0 0 5.8500 -1.9200 1.6000 H 0 0 0 0 0 0 5.9200 -0.8600 3.0500 H 0 0 0 0 0 0 6.2900 1.0500 1.7100 H 0 0 0 0 0 0 5.1800 1.5600 0.4200 H 0 0 0 0 0 0 6.2500 0.1100 0.1900 H 0 0 0 0 0 0 4.4200 1.0600 3.2400 H 0 0 0 0 0 0 3.2500 1.4200 1.9300 H 0 0 0 0 0 0 3.0100 -0.0100 2.9800 H 0 0 0 0 0 0 4.3600 0.4300 -3.0300 H 0 0 0 0 0 0 3.3800 1.4500 -4.1400 H 0 0 0 0 0 0 3.8200 2.0700 -2.5100 H 0 0 0 0 0 0 -1.8900 -0.7200 -3.4500 H 0 0 0 0 0 0 -1.1700 0.5800 -4.4700 H 0 0 0 0 0 0 -2.0200 1.0000 -2.9500 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 8 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 6 15 1 0 15 28 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 17 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 30 1 1 0 31 1 1 0 32 1 1 0 33 3 1 0 34 3 1 0 35 4 1 0 36 8 1 0 37 10 1 0 38 11 1 0 39 12 1 0 40 13 1 0 41 14 1 0 42 16 1 0 43 22 1 0 44 22 1 0 45 22 1 0 46 23 1 0 47 23 1 0 48 23 1 0 49 24 1 0 50 24 1 0 51 24 1 0 52 26 1 0 53 26 1 0 54 26 1 0 55 29 1 0 56 29 1 0 57 29 1 0 M END $$$$