TDT2MOL ClC(Cl)(COCC1NC(=O)C1NC(=O)COc2ccccc2)C(=O)OCc3ccccc3 54 56 0 0 0 0 0 2.2200 -3.0000 -0.1600 Cl 0 0 0 0 0 0 2.6300 -1.3600 -0.6000 C 0 0 0 0 0 0 2.4100 -1.1600 -2.3200 Cl 0 0 0 0 0 0 1.7400 -0.4000 0.1500 C 0 0 0 2 0 0 0.4600 -0.6500 -0.1300 O 0 0 0 0 0 0 -0.0100 -0.0500 -1.2400 C 0 0 0 2 0 0 -1.2600 -0.6900 -1.7000 C 0 0 0 1 0 0 -0.9300 -2.1700 -1.9800 N 0 0 0 1 0 0 -1.8500 -2.5700 -0.9500 C 0 0 0 0 0 0 -2.4200 -3.1500 -0.2500 O 0 0 0 0 0 0 -2.2500 -0.9800 -0.6500 C 0 0 0 1 0 0 -3.6100 -0.9500 -1.0000 N 0 0 0 1 0 0 -4.2300 0.2900 -1.4700 C 0 0 0 0 0 0 -3.5400 1.3200 -1.5700 O 0 0 0 0 0 0 -5.6800 0.2900 -1.8600 C 0 0 0 2 0 0 -6.4200 -0.2800 -0.8900 O 0 0 0 0 0 0 -6.4000 0.4600 0.2900 C 0 0 0 0 0 0 -5.6600 1.6400 0.4100 C 0 0 0 1 0 0 -5.6600 2.3500 1.6200 C 0 0 0 1 0 0 -6.4100 1.8900 2.7100 C 0 0 0 1 0 0 -7.1500 0.7000 2.5900 C 0 0 0 1 0 0 -7.1400 -0.0100 1.3800 C 0 0 0 1 0 0 4.0700 -1.1000 -0.2600 C 0 0 0 0 0 0 4.4100 -0.8300 0.9100 O 0 0 0 0 0 0 5.0100 -1.1700 -1.2300 O 0 0 0 0 0 0 6.2200 -1.3200 -0.6500 C 0 0 0 2 0 0 6.5200 -0.1300 0.2100 C 0 0 0 0 0 0 5.5900 0.9000 0.3300 C 0 0 0 1 0 0 5.8700 2.0100 1.1300 C 0 0 0 1 0 0 7.0900 2.0800 1.8300 C 0 0 0 1 0 0 8.0200 1.0500 1.7100 C 0 0 0 1 0 0 7.7400 -0.0600 0.9000 C 0 0 0 1 0 0 2.0300 0.6300 -0.1000 H 0 0 0 0 0 0 1.9100 -0.5500 1.2300 H 0 0 0 0 0 0 0.7400 -0.1000 -2.0500 H 0 0 0 0 0 0 -0.2100 1.0100 -1.0100 H 0 0 0 0 0 0 -1.6400 -0.3000 -2.6100 H 0 0 0 0 0 0 0.0200 -2.4000 -2.0000 H 0 0 0 0 0 0 -1.9600 -0.9100 0.3600 H 0 0 0 0 0 0 -4.1900 -1.7600 -0.9300 H 0 0 0 0 0 0 -5.8000 -0.2900 -2.7900 H 0 0 0 0 0 0 -6.0200 1.3200 -2.0400 H 0 0 0 0 0 0 -5.0600 2.0200 -0.4300 H 0 0 0 0 0 0 -5.0800 3.2800 1.7100 H 0 0 0 0 0 0 -6.4100 2.4500 3.6500 H 0 0 0 0 0 0 -7.7400 0.3300 3.4400 H 0 0 0 0 0 0 -7.7300 -0.9400 1.2900 H 0 0 0 0 0 0 6.9900 -1.4000 -1.4400 H 0 0 0 0 0 0 6.2400 -2.2400 -0.0400 H 0 0 0 0 0 0 4.6400 0.8500 -0.2200 H 0 0 0 0 0 0 5.1400 2.8300 1.2200 H 0 0 0 0 0 0 7.3100 2.9500 2.4600 H 0 0 0 0 0 0 8.9700 1.1000 2.2500 H 0 0 0 0 0 0 8.4700 -0.8800 0.8100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 22 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 2 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 32 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 33 4 1 0 34 4 1 0 35 6 1 0 36 6 1 0 37 7 1 0 38 8 1 0 39 11 1 0 40 12 1 0 41 15 1 0 42 15 1 0 43 18 1 0 44 19 1 0 45 20 1 0 46 21 1 0 47 22 1 0 48 26 1 0 49 26 1 0 50 28 1 0 51 29 1 0 52 30 1 0 53 31 1 0 54 32 1 0 M END $$$$