TDT2MOL CCC1COC(=N1)c2cccc3c4cccc(C5=NC(CC)CO5)c4oc23 49 53 0 0 0 0 0 3.0800 2.5400 -0.8300 C 0 0 0 3 0 0 2.7500 2.6800 0.6300 C 0 0 0 2 0 0 3.0500 1.4100 1.3500 C 0 0 0 1 0 0 4.4200 0.8700 1.1600 C 0 0 0 2 0 0 4.3000 -0.2600 0.3700 O 0 0 0 0 0 0 2.9800 -0.5200 0.2200 C 0 0 0 0 0 0 2.2000 0.3400 0.7300 N 0 0 0 0 0 0 2.4700 -1.7200 -0.4800 C 0 0 0 0 0 0 3.3600 -2.6700 -1.0200 C 0 0 0 1 0 0 2.8600 -3.8000 -1.6900 C 0 0 0 1 0 0 1.4800 -4.0000 -1.8100 C 0 0 0 1 0 0 0.6000 -3.0700 -1.2700 C 0 0 0 0 0 0 -0.7800 -3.0100 -1.2400 C 0 0 0 0 0 0 -1.7500 -3.8700 -1.7500 C 0 0 0 1 0 0 -3.1100 -3.5500 -1.5700 C 0 0 0 1 0 0 -3.4700 -2.3800 -0.8900 C 0 0 0 1 0 0 -2.4900 -1.5200 -0.3800 C 0 0 0 0 0 0 -2.8800 -0.2800 0.3400 C 0 0 0 0 0 0 -2.0100 0.5300 0.8100 N 0 0 0 0 0 0 -2.7600 1.6500 1.4600 C 0 0 0 1 0 0 -2.5700 2.8600 0.6100 C 0 0 0 2 0 0 -3.2900 4.0300 1.2300 C 0 0 0 3 0 0 -4.1500 1.1200 1.4700 C 0 0 0 2 0 0 -4.1700 0.0800 0.5500 O 0 0 0 0 0 0 -1.1500 -1.8400 -0.5600 C 0 0 0 0 0 0 0.0100 -1.1800 -0.1700 O 0 0 0 0 0 0 1.1000 -1.9400 -0.6100 C 0 0 0 0 0 0 4.1500 2.3000 -0.9400 H 0 0 0 0 0 0 2.4700 1.7300 -1.2600 H 0 0 0 0 0 0 2.8600 3.4800 -1.3500 H 0 0 0 0 0 0 3.3500 3.4900 1.0600 H 0 0 0 0 0 0 1.6800 2.9300 0.7300 H 0 0 0 0 0 0 2.7200 1.4800 2.4000 H 0 0 0 0 0 0 4.9100 0.5400 2.0900 H 0 0 0 0 0 0 5.1100 1.5500 0.6400 H 0 0 0 0 0 0 4.4400 -2.5100 -0.9300 H 0 0 0 0 0 0 3.5700 -4.5300 -2.1100 H 0 0 0 0 0 0 1.1100 -4.8900 -2.3300 H 0 0 0 0 0 0 -1.4700 -4.7800 -2.2800 H 0 0 0 0 0 0 -3.8800 -4.2200 -1.9600 H 0 0 0 0 0 0 -4.5400 -2.1400 -0.7500 H 0 0 0 0 0 0 -2.3100 1.8000 2.4500 H 0 0 0 0 0 0 -2.9900 2.6800 -0.3900 H 0 0 0 0 0 0 -1.5000 3.1000 0.5200 H 0 0 0 0 0 0 -4.3600 3.8000 1.3100 H 0 0 0 0 0 0 -2.8800 4.2200 2.2300 H 0 0 0 0 0 0 -3.1600 4.9200 0.6100 H 0 0 0 0 0 0 -4.4400 0.6700 2.4300 H 0 0 0 0 0 0 -4.9200 1.8400 1.1700 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 7 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 27 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 27 2 0 12 13 1 0 13 25 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 24 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 17 25 2 0 25 26 1 0 26 27 1 0 28 1 1 0 29 1 1 0 30 1 1 0 31 2 1 0 32 2 1 0 33 3 1 0 34 4 1 0 35 4 1 0 36 9 1 0 37 10 1 0 38 11 1 0 39 14 1 0 40 15 1 0 41 16 1 0 42 20 1 0 43 21 1 0 44 21 1 0 45 22 1 0 46 22 1 0 47 22 1 0 48 23 1 0 49 23 1 0 M END $$$$