TDT2MOL COCCOCCOCCOC(COC)COCCOCCOC 58 57 0 0 0 0 0 7.1900 1.3200 0.5800 C 0 0 0 3 0 0 7.6500 0.1400 1.0200 O 0 0 0 0 0 0 6.6800 -0.7000 1.4100 C 0 0 0 2 0 0 5.9500 -1.2400 0.2200 C 0 0 0 2 0 0 5.3900 -0.2500 -0.4900 O 0 0 0 0 0 0 4.3100 0.2900 0.1200 C 0 0 0 2 0 0 3.6400 1.2500 -0.8100 C 0 0 0 2 0 0 2.6100 1.8600 -0.2200 O 0 0 0 0 0 0 1.7200 1.0300 0.3500 C 0 0 0 2 0 0 1.2400 -0.0200 -0.6200 C 0 0 0 2 0 0 0.3500 -0.8100 -0.0200 O 0 0 0 0 0 0 -0.9300 -0.6900 -0.3700 C 0 0 0 1 0 0 -1.6600 -1.9700 -0.0400 C 0 0 0 2 0 0 -1.6200 -2.2000 1.2800 O 0 0 0 0 0 0 -0.4100 -2.6000 1.7100 C 0 0 0 3 0 0 -1.5700 0.4500 0.3800 C 0 0 0 2 0 0 -2.8600 0.5500 0.0500 O 0 0 0 0 0 0 -3.1500 1.0700 -1.1500 C 0 0 0 2 0 0 -3.8800 0.0500 -1.9900 C 0 0 0 2 0 0 -4.9600 -0.4100 -1.3500 O 0 0 0 0 0 0 -6.0300 0.4000 -1.4200 C 0 0 0 2 0 0 -7.0900 -0.0900 -0.4800 C 0 0 0 2 0 0 -6.6200 -0.1200 0.7800 O 0 0 0 0 0 0 -6.3900 1.1000 1.2800 C 0 0 0 3 0 0 6.7600 1.2000 -0.4300 H 0 0 0 0 0 0 6.4300 1.7300 1.2600 H 0 0 0 0 0 0 8.0300 2.0300 0.5200 H 0 0 0 0 0 0 7.1400 -1.5400 1.9600 H 0 0 0 0 0 0 5.9800 -0.1900 2.0800 H 0 0 0 0 0 0 6.6600 -1.7800 -0.4300 H 0 0 0 0 0 0 5.1800 -1.9600 0.5500 H 0 0 0 0 0 0 3.6100 -0.5200 0.3800 H 0 0 0 0 0 0 4.6200 0.8200 1.0300 H 0 0 0 0 0 0 4.3700 2.0400 -1.1100 H 0 0 0 0 0 0 3.3100 0.7300 -1.7200 H 0 0 0 0 0 0 2.1600 0.5500 1.2300 H 0 0 0 0 0 0 0.8500 1.6300 0.6800 H 0 0 0 0 0 0 2.1100 -0.6400 -0.9200 H 0 0 0 0 0 0 0.8500 0.4800 -1.5200 H 0 0 0 0 0 0 -1.0100 -0.5000 -1.4600 H 0 0 0 0 0 0 -2.7200 -1.8700 -0.3500 H 0 0 0 0 0 0 -1.2100 -2.8000 -0.6000 H 0 0 0 0 0 0 0.0100 -3.3800 1.0600 H 0 0 0 0 0 0 0.2800 -1.7400 1.7500 H 0 0 0 0 0 0 -0.5200 -3.0100 2.7300 H 0 0 0 0 0 0 -1.4800 0.2700 1.4600 H 0 0 0 0 0 0 -1.0500 1.3800 0.1200 H 0 0 0 0 0 0 -2.2700 1.4300 -1.7000 H 0 0 0 0 0 0 -3.8200 1.9400 -1.0000 H 0 0 0 0 0 0 -4.1400 0.4800 -2.9600 H 0 0 0 0 0 0 -3.1900 -0.8000 -2.1700 H 0 0 0 0 0 0 -5.7400 1.4300 -1.1600 H 0 0 0 0 0 0 -6.4200 0.3900 -2.4500 H 0 0 0 0 0 0 -7.9600 0.5800 -0.5400 H 0 0 0 0 0 0 -7.4000 -1.1000 -0.7700 H 0 0 0 0 0 0 -6.2100 1.0100 2.3700 H 0 0 0 0 0 0 -5.5000 1.5500 0.8100 H 0 0 0 0 0 0 -7.2600 1.7600 1.1300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 12 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 25 1 1 0 26 1 1 0 27 1 1 0 28 3 1 0 29 3 1 0 30 4 1 0 31 4 1 0 32 6 1 0 33 6 1 0 34 7 1 0 35 7 1 0 36 9 1 0 37 9 1 0 38 10 1 0 39 10 1 0 40 12 1 0 41 13 1 0 42 13 1 0 43 15 1 0 44 15 1 0 45 15 1 0 46 16 1 0 47 16 1 0 48 18 1 0 49 18 1 0 50 19 1 0 51 19 1 0 52 21 1 0 53 21 1 0 54 22 1 0 55 22 1 0 56 24 1 0 57 24 1 0 58 24 1 0 M END $$$$