TDT2MOL CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2Cl)C(=O)OC)COCCN 53 54 0 0 0 0 0 5.0600 -1.8200 0.9900 C 0 0 0 3 0 0 4.8300 -0.8700 -0.1500 C 0 0 0 2 0 0 3.5900 -0.3400 -0.0500 O 0 0 0 0 0 0 2.6800 -1.3300 -0.1500 C 0 0 0 0 0 0 3.0200 -2.4600 -0.5600 O 0 0 0 0 0 0 1.2500 -1.0800 0.2500 C 0 0 0 0 0 0 0.3700 -2.0900 0.1400 C 0 0 0 0 0 0 0.8100 -3.4300 -0.3800 C 0 0 0 3 0 0 -1.0200 -1.8900 0.5000 N 0 0 0 1 0 0 -1.4400 -0.5900 0.9800 C 0 0 0 0 0 0 -0.5600 0.4100 1.0900 C 0 0 0 0 0 0 0.8900 0.2800 0.7500 C 0 0 0 1 0 0 1.2700 1.3000 -0.2900 C 0 0 0 0 0 0 0.6100 1.3200 -1.5300 C 0 0 0 1 0 0 0.9700 2.2800 -2.4900 C 0 0 0 1 0 0 1.9900 3.2000 -2.2100 C 0 0 0 1 0 0 2.6400 3.1700 -0.9700 C 0 0 0 1 0 0 2.2800 2.2200 -0.0100 C 0 0 0 0 0 0 3.0700 2.1800 1.4900 Cl 0 0 0 0 0 0 -1.0300 1.7600 1.5900 C 0 0 0 0 0 0 -0.2200 2.7000 1.7000 O 0 0 0 0 0 0 -2.3300 1.9300 1.9000 O 0 0 0 0 0 0 -2.5500 3.2300 2.2000 C 0 0 0 3 0 0 -2.8900 -0.3900 1.3500 C 0 0 0 2 0 0 -3.4900 0.3700 0.4300 O 0 0 0 0 0 0 -3.6600 -0.2400 -0.7500 C 0 0 0 2 0 0 -4.8600 -1.1400 -0.7100 C 0 0 0 2 0 0 -5.0600 -1.7500 -2.0100 N 0 0 0 2 0 0 4.3200 -2.6300 0.9500 H 0 0 0 0 0 0 6.0800 -2.2400 0.9200 H 0 0 0 0 0 0 4.9600 -1.2800 1.9500 H 0 0 0 0 0 0 5.5800 -0.0600 -0.1000 H 0 0 0 0 0 0 4.9400 -1.4000 -1.1000 H 0 0 0 0 0 0 -0.0500 -4.1100 -0.3800 H 0 0 0 0 0 0 1.6000 -3.8300 0.2800 H 0 0 0 0 0 0 1.2000 -3.3200 -1.4000 H 0 0 0 0 0 0 -1.6800 -2.6400 0.4200 H 0 0 0 0 0 0 1.4900 0.4900 1.6600 H 0 0 0 0 0 0 -0.1900 0.6000 -1.7500 H 0 0 0 0 0 0 0.4600 2.3000 -3.4600 H 0 0 0 0 0 0 2.2700 3.9500 -2.9600 H 0 0 0 0 0 0 3.4400 3.9000 -0.7500 H 0 0 0 0 0 0 -1.9300 3.5200 3.0600 H 0 0 0 0 0 0 -2.2900 3.8600 1.3300 H 0 0 0 0 0 0 -3.6100 3.3600 2.4500 H 0 0 0 0 0 0 -3.3700 -1.3800 1.4100 H 0 0 0 0 0 0 -2.9500 0.0900 2.3400 H 0 0 0 0 0 0 -3.8300 0.5400 -1.5300 H 0 0 0 0 0 0 -2.7700 -0.8200 -1.0400 H 0 0 0 0 0 0 -5.7500 -0.5600 -0.4400 H 0 0 0 0 0 0 -4.7100 -1.9300 0.0400 H 0 0 0 0 0 0 -5.2100 -1.0400 -2.7000 H 0 0 0 0 0 0 -4.2500 -2.2900 -2.2600 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 11 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 10 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 1 1 0 30 1 1 0 31 1 1 0 32 2 1 0 33 2 1 0 34 8 1 0 35 8 1 0 36 8 1 0 37 9 1 0 38 12 1 0 39 14 1 0 40 15 1 0 41 16 1 0 42 17 1 0 43 23 1 0 44 23 1 0 45 23 1 0 46 24 1 0 47 24 1 0 48 26 1 0 49 26 1 0 50 27 1 0 51 27 1 0 52 28 1 0 53 28 1 0 M END $$$$