TDT2MOL CCOC(=O)C(=CCN(C(C)c1ccccc1)C(=O)CC(=O)C)C 49 49 0 0 0 0 0 -6.9200 -0.3400 -0.5500 C 0 0 0 3 0 0 -5.7200 -0.0500 0.3100 C 0 0 0 2 0 0 -4.6200 -0.5900 -0.2600 O 0 0 0 0 0 0 -3.5500 -0.3800 0.5300 C 0 0 0 0 0 0 -3.7100 0.0800 1.6800 O 0 0 0 0 0 0 -2.1700 -0.7100 0.0400 C 0 0 0 0 0 0 -1.1000 -0.5200 0.8400 C 0 0 0 1 0 0 0.2700 -0.8500 0.3500 C 0 0 0 2 0 0 1.1100 0.3300 0.2900 N 0 0 0 0 0 0 2.3800 0.2400 -0.4000 C 0 0 0 1 0 0 2.3400 1.0100 -1.6800 C 0 0 0 3 0 0 2.6800 -1.2100 -0.6600 C 0 0 0 0 0 0 3.2300 -1.9800 0.3800 C 0 0 0 1 0 0 3.5100 -3.3400 0.1700 C 0 0 0 1 0 0 3.2600 -3.9200 -1.0700 C 0 0 0 1 0 0 2.7200 -3.1600 -2.1100 C 0 0 0 1 0 0 2.4300 -1.8000 -1.9000 C 0 0 0 1 0 0 0.6900 1.5800 0.9000 C 0 0 0 0 0 0 -0.4100 1.6500 1.4900 O 0 0 0 0 0 0 1.5700 2.8000 0.8400 C 0 0 0 2 0 0 1.7200 3.3700 2.2200 C 0 0 0 0 0 0 1.0800 2.8700 3.1800 O 0 0 0 0 0 0 2.6300 4.5300 2.4500 C 0 0 0 3 0 0 -1.9700 -1.2600 -1.3400 C 0 0 0 3 0 0 -7.0500 -1.4300 -0.6500 H 0 0 0 0 0 0 -6.7700 0.1000 -1.5500 H 0 0 0 0 0 0 -7.8100 0.1000 -0.0900 H 0 0 0 0 0 0 -5.8800 -0.5000 1.3000 H 0 0 0 0 0 0 -5.5900 1.0300 0.4100 H 0 0 0 0 0 0 -1.2500 -0.1200 1.8600 H 0 0 0 0 0 0 0.7400 -1.5900 1.0200 H 0 0 0 0 0 0 0.1900 -1.2900 -0.6600 H 0 0 0 0 0 0 3.1700 0.6400 0.2600 H 0 0 0 0 0 0 3.2800 0.8700 -2.2300 H 0 0 0 0 0 0 2.2000 2.0800 -1.4600 H 0 0 0 0 0 0 1.5000 0.6700 -2.3000 H 0 0 0 0 0 0 3.4200 -1.5200 1.3600 H 0 0 0 0 0 0 3.9400 -3.9400 0.9900 H 0 0 0 0 0 0 3.4900 -4.9900 -1.2400 H 0 0 0 0 0 0 2.5100 -3.6100 -3.0900 H 0 0 0 0 0 0 2.0000 -1.2100 -2.7300 H 0 0 0 0 0 0 1.1000 3.5500 0.1800 H 0 0 0 0 0 0 2.5600 2.5300 0.4500 H 0 0 0 0 0 0 2.1200 5.4600 2.1700 H 0 0 0 0 0 0 2.9100 4.5800 3.5200 H 0 0 0 0 0 0 3.5400 4.4100 1.8400 H 0 0 0 0 0 0 -2.9500 -1.3800 -1.8300 H 0 0 0 0 0 0 -1.3600 -0.5600 -1.9300 H 0 0 0 0 0 0 -1.4700 -2.2300 -1.2800 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 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 9 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 6 24 1 0 25 1 1 0 26 1 1 0 27 1 1 0 28 2 1 0 29 2 1 0 30 7 1 0 31 8 1 0 32 8 1 0 33 10 1 0 34 11 1 0 35 11 1 0 36 11 1 0 37 13 1 0 38 14 1 0 39 15 1 0 40 16 1 0 41 17 1 0 42 20 1 0 43 20 1 0 44 23 1 0 45 23 1 0 46 23 1 0 47 24 1 0 48 24 1 0 49 24 1 0 M END $$$$