TDT2MOL COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N(=O)=O)C(=O)OC(C)C)C 56 57 0 0 0 0 0 -5.4000 0.0100 -1.2800 C 0 0 0 3 0 0 -4.4800 -0.4200 -0.4000 O 0 0 0 0 0 0 -4.4500 -1.7700 -0.3300 C 0 0 0 2 0 0 -3.5000 -2.1800 0.7600 C 0 0 0 2 0 0 -2.2700 -1.7200 0.4700 O 0 0 0 0 0 0 -1.4600 -1.7900 1.5500 C 0 0 0 0 0 0 -1.7600 -2.5800 2.4600 O 0 0 0 0 0 0 -0.2600 -0.9000 1.6500 C 0 0 0 0 0 0 0.5300 -0.9400 2.7300 C 0 0 0 0 0 0 0.1900 -1.8800 3.8500 C 0 0 0 3 0 0 1.6900 -0.0700 2.8300 N 0 0 0 1 0 0 1.9700 0.8300 1.7500 C 0 0 0 0 0 0 1.1800 0.8700 0.6500 C 0 0 0 0 0 0 -0.0100 0.0000 0.4700 C 0 0 0 1 0 0 0.2100 -0.9100 -0.7100 C 0 0 0 0 0 0 -0.0200 -0.4600 -2.0200 C 0 0 0 1 0 0 0.1900 -1.3300 -3.0900 C 0 0 0 1 0 0 0.6300 -2.6400 -2.8600 C 0 0 0 1 0 0 0.8500 -3.0900 -1.5500 C 0 0 0 0 0 0 0.6400 -2.2200 -0.4800 C 0 0 0 1 0 0 1.2900 -4.4000 -1.3300 N 0 0 0 0 0 0 1.5000 -4.8300 -0.1200 O 0 0 0 0 0 0 1.4800 -5.1900 -2.3500 O 0 0 0 0 0 0 1.5300 1.8500 -0.4300 C 0 0 0 0 0 0 0.8700 1.9600 -1.4700 O 0 0 0 0 0 0 2.5900 2.6700 -0.3100 O 0 0 0 0 0 0 2.1900 3.9300 -0.5800 C 0 0 0 1 0 0 3.4500 4.7900 -0.5500 C 0 0 0 3 0 0 1.4700 4.0800 -1.8700 C 0 0 0 3 0 0 3.1500 1.7600 1.8100 C 0 0 0 3 0 0 -6.4100 -0.2800 -0.9300 H 0 0 0 0 0 0 -5.3500 1.1100 -1.3400 H 0 0 0 0 0 0 -5.2200 -0.4200 -2.2700 H 0 0 0 0 0 0 -4.1100 -2.1800 -1.2900 H 0 0 0 0 0 0 -5.4500 -2.1600 -0.1100 H 0 0 0 0 0 0 -3.4700 -3.2800 0.8100 H 0 0 0 0 0 0 -3.8700 -1.7800 1.7200 H 0 0 0 0 0 0 0.9600 -1.7900 4.6400 H 0 0 0 0 0 0 -0.7900 -1.6300 4.2700 H 0 0 0 0 0 0 0.1700 -2.9100 3.4600 H 0 0 0 0 0 0 2.2800 -0.1000 3.6400 H 0 0 0 0 0 0 -0.9100 0.6100 0.2900 H 0 0 0 0 0 0 -0.3600 0.5700 -2.2100 H 0 0 0 0 0 0 0.0200 -0.9800 -4.1200 H 0 0 0 0 0 0 0.7900 -3.3300 -3.7100 H 0 0 0 0 0 0 0.8100 -2.5600 0.5500 H 0 0 0 0 0 0 1.5600 4.2700 0.2700 H 0 0 0 0 0 0 4.1300 4.4600 -1.3500 H 0 0 0 0 0 0 3.1600 5.8400 -0.7400 H 0 0 0 0 0 0 3.9500 4.7200 0.4200 H 0 0 0 0 0 0 0.3900 3.8400 -1.8000 H 0 0 0 0 0 0 1.5000 5.1300 -2.2500 H 0 0 0 0 0 0 1.9100 3.4400 -2.6600 H 0 0 0 0 0 0 3.8100 1.5800 0.9500 H 0 0 0 0 0 0 2.8000 2.8000 1.7800 H 0 0 0 0 0 0 3.7100 1.5800 2.7400 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 21 23 2 0 13 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 12 30 1 0 31 1 1 0 32 1 1 0 33 1 1 0 34 3 1 0 35 3 1 0 36 4 1 0 37 4 1 0 38 10 1 0 39 10 1 0 40 10 1 0 41 11 1 0 42 14 1 0 43 16 1 0 44 17 1 0 45 18 1 0 46 20 1 0 47 27 1 0 48 28 1 0 49 28 1 0 50 28 1 0 51 29 1 0 52 29 1 0 53 29 1 0 54 30 1 0 55 30 1 0 56 30 1 0 M END $$$$