TDT2MOL CCOC(=O)C=CCN(C(C)c1ccccc1)C(=O)CC(=O)C 46 46 0 0 0 0 0 -6.0700 -0.6300 -0.4900 C 0 0 0 3 0 0 -5.3400 0.3000 -1.4100 C 0 0 0 2 0 0 -4.0100 0.2100 -1.1700 O 0 0 0 0 0 0 -3.7600 0.5800 0.1100 C 0 0 0 0 0 0 -4.6300 1.2000 0.7500 O 0 0 0 0 0 0 -2.4400 0.2600 0.7400 C 0 0 0 1 0 0 -1.5100 -0.4200 0.0400 C 0 0 0 1 0 0 -0.1900 -0.7500 0.6600 C 0 0 0 2 0 0 0.8200 0.2000 0.1600 N 0 0 0 0 0 0 1.6300 -0.2400 -0.9400 C 0 0 0 1 0 0 2.9200 0.5000 -1.0400 C 0 0 0 3 0 0 1.9100 -1.7100 -0.7400 C 0 0 0 0 0 0 2.0300 -2.5500 -1.8500 C 0 0 0 1 0 0 2.2900 -3.9200 -1.6700 C 0 0 0 1 0 0 2.4400 -4.4300 -0.3800 C 0 0 0 1 0 0 2.3200 -3.5900 0.7300 C 0 0 0 1 0 0 2.0600 -2.2300 0.5500 C 0 0 0 1 0 0 0.8800 1.4800 0.8300 C 0 0 0 0 0 0 0.0700 1.6700 1.7900 O 0 0 0 0 0 0 1.8100 2.5900 0.4900 C 0 0 0 2 0 0 1.6200 3.7100 1.4800 C 0 0 0 0 0 0 0.4600 4.0500 1.8100 O 0 0 0 0 0 0 2.8100 4.4000 2.0600 C 0 0 0 3 0 0 -7.1500 -0.5700 -0.6900 H 0 0 0 0 0 0 -5.8800 -0.3500 0.5500 H 0 0 0 0 0 0 -5.7300 -1.6600 -0.6600 H 0 0 0 0 0 0 -5.5300 0.0100 -2.4500 H 0 0 0 0 0 0 -5.6800 1.3300 -1.2400 H 0 0 0 0 0 0 -2.2400 0.5600 1.7800 H 0 0 0 0 0 0 -1.7200 -0.7200 -1.0000 H 0 0 0 0 0 0 -0.2500 -0.6600 1.7500 H 0 0 0 0 0 0 0.1200 -1.7600 0.3800 H 0 0 0 0 0 0 1.0600 -0.1400 -1.8800 H 0 0 0 0 0 0 3.4500 0.4600 -0.0800 H 0 0 0 0 0 0 3.5600 0.0600 -1.8200 H 0 0 0 0 0 0 2.7400 1.5600 -1.3100 H 0 0 0 0 0 0 1.9200 -2.1500 -2.8700 H 0 0 0 0 0 0 2.3900 -4.5800 -2.5400 H 0 0 0 0 0 0 2.6400 -5.5000 -0.2300 H 0 0 0 0 0 0 2.4300 -4.0000 1.7500 H 0 0 0 0 0 0 1.9600 -1.5600 1.4200 H 0 0 0 0 0 0 1.5900 2.9700 -0.5200 H 0 0 0 0 0 0 2.8600 2.2500 0.5500 H 0 0 0 0 0 0 3.0000 4.0200 3.0700 H 0 0 0 0 0 0 3.6900 4.2200 1.4300 H 0 0 0 0 0 0 2.6200 5.4900 2.1100 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 24 1 1 0 25 1 1 0 26 1 1 0 27 2 1 0 28 2 1 0 29 6 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 M END $$$$