TDT2MOL CCOC(=O)CC1CCCCC1=NCCc2ccc(OC)c(OC)c2 54 55 0 0 0 0 0 -6.5800 -2.1300 -1.6900 C 0 0 0 3 0 0 -5.1400 -1.8200 -1.9700 C 0 0 0 2 0 0 -4.7200 -0.8400 -1.1400 O 0 0 0 0 0 0 -3.4200 -0.5600 -1.4000 C 0 0 0 0 0 0 -2.7600 -1.3200 -2.1300 O 0 0 0 0 0 0 -2.7800 0.6500 -0.8000 C 0 0 0 2 0 0 -2.1800 0.3000 0.5300 C 0 0 0 1 0 0 -3.2400 -0.2300 1.4600 C 0 0 0 2 0 0 -4.2300 0.8400 1.8200 C 0 0 0 2 0 0 -3.5400 1.9700 2.5200 C 0 0 0 2 0 0 -2.5200 2.5900 1.6200 C 0 0 0 2 0 0 -1.5700 1.5300 1.1400 C 0 0 0 0 0 0 -0.3400 1.6800 1.2300 N 0 0 0 0 0 0 0.5900 0.6800 0.7700 C 0 0 0 2 0 0 1.9800 1.2600 0.7500 C 0 0 0 2 0 0 2.9600 0.2400 0.2700 C 0 0 0 0 0 0 2.6000 -1.1000 0.0700 C 0 0 0 1 0 0 3.5400 -2.0200 -0.3900 C 0 0 0 1 0 0 4.8600 -1.6100 -0.6500 C 0 0 0 0 0 0 5.7700 -2.5700 -1.1000 O 0 0 0 0 0 0 6.9900 -2.0500 -1.3100 C 0 0 0 3 0 0 5.2300 -0.2800 -0.4500 C 0 0 0 0 0 0 6.5400 0.1300 -0.7200 O 0 0 0 0 0 0 6.7100 1.4400 -0.4800 C 0 0 0 3 0 0 4.2800 0.6400 0.0000 C 0 0 0 1 0 0 -6.6900 -2.4600 -0.6500 H 0 0 0 0 0 0 -6.9200 -2.9300 -2.3700 H 0 0 0 0 0 0 -7.1900 -1.2300 -1.8600 H 0 0 0 0 0 0 -4.5300 -2.7200 -1.8100 H 0 0 0 0 0 0 -5.0300 -1.4900 -3.0200 H 0 0 0 0 0 0 -1.9900 1.0200 -1.4700 H 0 0 0 0 0 0 -3.5400 1.4400 -0.6800 H 0 0 0 0 0 0 -1.4000 -0.4600 0.3800 H 0 0 0 0 0 0 -3.7600 -1.0800 0.9800 H 0 0 0 0 0 0 -2.7700 -0.5900 2.3900 H 0 0 0 0 0 0 -4.7200 1.2200 0.9100 H 0 0 0 0 0 0 -5.0000 0.4100 2.4800 H 0 0 0 0 0 0 -4.2800 2.7200 2.8300 H 0 0 0 0 0 0 -3.0500 1.5700 3.4300 H 0 0 0 0 0 0 -3.0200 3.0400 0.7500 H 0 0 0 0 0 0 -1.9600 3.3700 2.1600 H 0 0 0 0 0 0 0.3200 0.3500 -0.2400 H 0 0 0 0 0 0 0.5600 -0.1800 1.4600 H 0 0 0 0 0 0 2.0000 2.1300 0.0800 H 0 0 0 0 0 0 2.2500 1.5800 1.7700 H 0 0 0 0 0 0 1.5700 -1.4300 0.2700 H 0 0 0 0 0 0 3.2600 -3.0700 -0.5400 H 0 0 0 0 0 0 6.9400 -1.2700 -2.0800 H 0 0 0 0 0 0 7.3900 -1.6400 -0.3800 H 0 0 0 0 0 0 7.6600 -2.8500 -1.6700 H 0 0 0 0 0 0 7.7500 1.7200 -0.7000 H 0 0 0 0 0 0 6.0400 2.0300 -1.1200 H 0 0 0 0 0 0 6.5000 1.6600 0.5800 H 0 0 0 0 0 0 4.5500 1.7000 0.1600 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 1 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 25 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 22 25 2 0 26 1 1 0 27 1 1 0 28 1 1 0 29 2 1 0 30 2 1 0 31 6 1 0 32 6 1 0 33 7 1 0 34 8 1 0 35 8 1 0 36 9 1 0 37 9 1 0 38 10 1 0 39 10 1 0 40 11 1 0 41 11 1 0 42 14 1 0 43 14 1 0 44 15 1 0 45 15 1 0 46 17 1 0 47 18 1 0 48 21 1 0 49 21 1 0 50 21 1 0 51 24 1 0 52 24 1 0 53 24 1 0 54 25 1 0 M END $$$$