TDT2MOL CCOC(=O)C=C(C)CN(C(C)c1ccccc1)C(=O)CC(=O)C 49 49 0 0 0 0 0 -6.0600 -0.2300 -0.3900 C 0 0 0 3 0 0 -5.2900 -1.0000 -1.4300 C 0 0 0 2 0 0 -4.0300 -0.5200 -1.5000 O 0 0 0 0 0 0 -3.4300 -0.6800 -0.2900 C 0 0 0 0 0 0 -3.8900 -1.5300 0.5000 O 0 0 0 0 0 0 -2.2400 0.1400 0.0800 C 0 0 0 1 0 0 -1.6500 -0.0300 1.2800 C 0 0 0 0 0 0 -2.2000 -1.0400 2.2500 C 0 0 0 3 0 0 -0.4600 0.8000 1.6600 C 0 0 0 2 0 0 0.6500 0.4600 0.8000 N 0 0 0 0 0 0 0.9300 1.2700 -0.3700 C 0 0 0 1 0 0 0.7300 0.4500 -1.6100 C 0 0 0 3 0 0 2.3400 1.7600 -0.3000 C 0 0 0 0 0 0 3.2300 1.5500 -1.3700 C 0 0 0 1 0 0 4.5400 2.0200 -1.2800 C 0 0 0 1 0 0 4.9800 2.7000 -0.1400 C 0 0 0 1 0 0 4.0900 2.9100 0.9300 C 0 0 0 1 0 0 2.7800 2.4400 0.8400 C 0 0 0 1 0 0 1.4900 -0.6900 1.1100 C 0 0 0 0 0 0 1.2500 -1.3800 2.1200 O 0 0 0 0 0 0 2.6400 -1.0400 0.2100 C 0 0 0 2 0 0 2.2200 -2.1000 -0.7600 C 0 0 0 0 0 0 2.5600 -2.0200 -1.9600 O 0 0 0 0 0 0 1.3900 -3.2600 -0.3000 C 0 0 0 3 0 0 -6.0800 0.8300 -0.6700 H 0 0 0 0 0 0 -7.0800 -0.6200 -0.3400 H 0 0 0 0 0 0 -5.5700 -0.3500 0.5900 H 0 0 0 0 0 0 -5.2700 -2.0700 -1.1600 H 0 0 0 0 0 0 -5.7800 -0.8800 -2.4100 H 0 0 0 0 0 0 -1.8400 0.8800 -0.6300 H 0 0 0 0 0 0 -1.6200 -1.0100 3.1800 H 0 0 0 0 0 0 -2.1200 -2.0500 1.8100 H 0 0 0 0 0 0 -3.2500 -0.8200 2.4600 H 0 0 0 0 0 0 -0.1900 0.5900 2.7100 H 0 0 0 0 0 0 -0.7000 1.8700 1.5500 H 0 0 0 0 0 0 0.2400 2.1300 -0.3900 H 0 0 0 0 0 0 1.4300 -0.4000 -1.6100 H 0 0 0 0 0 0 0.9100 1.0700 -2.5000 H 0 0 0 0 0 0 -0.3000 0.0600 -1.6400 H 0 0 0 0 0 0 2.8900 1.0200 -2.2700 H 0 0 0 0 0 0 5.2400 1.8500 -2.1200 H 0 0 0 0 0 0 6.0100 3.0600 -0.0700 H 0 0 0 0 0 0 4.4300 3.4400 1.8300 H 0 0 0 0 0 0 2.0800 2.6100 1.6800 H 0 0 0 0 0 0 3.4800 -1.4100 0.8200 H 0 0 0 0 0 0 2.9600 -0.1400 -0.3400 H 0 0 0 0 0 0 0.4300 -3.2600 -0.8400 H 0 0 0 0 0 0 1.2000 -3.1600 0.7800 H 0 0 0 0 0 0 1.9300 -4.2000 -0.4900 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 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 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 10 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 25 1 1 0 26 1 1 0 27 1 1 0 28 2 1 0 29 2 1 0 30 6 1 0 31 8 1 0 32 8 1 0 33 8 1 0 34 9 1 0 35 9 1 0 36 11 1 0 37 12 1 0 38 12 1 0 39 12 1 0 40 14 1 0 41 15 1 0 42 16 1 0 43 17 1 0 44 18 1 0 45 21 1 0 46 21 1 0 47 24 1 0 48 24 1 0 49 24 1 0 M END $$$$