TDT2MOL COCC1COCCOCCOCCOCCO1 42 42 0 0 0 0 0 4.5100 -0.5800 -1.3500 C 0 0 0 3 0 0 3.5600 -0.2600 -0.4500 O 0 0 0 0 0 0 2.4600 0.1800 -1.1000 C 0 0 0 2 0 0 1.3900 0.5300 -0.0900 C 0 0 0 1 0 0 1.0600 -0.6900 0.7200 C 0 0 0 2 0 0 0.6000 -1.6500 -0.1000 O 0 0 0 0 0 0 0.3000 -2.8000 0.5100 C 0 0 0 2 0 0 -1.0500 -2.7400 1.1500 C 0 0 0 2 0 0 -1.9900 -2.4000 0.2500 O 0 0 0 0 0 0 -1.7600 -1.2100 -0.3300 C 0 0 0 2 0 0 -3.0500 -0.6300 -0.8600 C 0 0 0 2 0 0 -2.8000 0.5300 -1.4800 O 0 0 0 0 0 0 -3.0200 1.6400 -0.7700 C 0 0 0 2 0 0 -2.3600 1.5900 0.5800 C 0 0 0 2 0 0 -1.0400 1.4700 0.4600 O 0 0 0 0 0 0 -0.2600 2.5600 0.4800 C 0 0 0 2 0 0 0.9800 2.3200 1.2800 C 0 0 0 2 0 0 1.8600 1.4900 0.7100 O 0 0 0 0 0 0 4.7900 0.3100 -1.9200 H 0 0 0 0 0 0 5.4000 -0.9600 -0.8100 H 0 0 0 0 0 0 4.1400 -1.3600 -2.0300 H 0 0 0 0 0 0 2.0800 -0.6200 -1.7600 H 0 0 0 0 0 0 2.7100 1.0600 -1.7000 H 0 0 0 0 0 0 0.5000 0.8700 -0.6400 H 0 0 0 0 0 0 0.3100 -0.4400 1.4900 H 0 0 0 0 0 0 1.9700 -1.0500 1.2300 H 0 0 0 0 0 0 1.0600 -3.0700 1.2600 H 0 0 0 0 0 0 0.2900 -3.6000 -0.2600 H 0 0 0 0 0 0 -1.0300 -1.9800 1.9600 H 0 0 0 0 0 0 -1.3000 -3.7200 1.5900 H 0 0 0 0 0 0 -1.3500 -0.4900 0.3800 H 0 0 0 0 0 0 -1.0600 -1.3500 -1.1700 H 0 0 0 0 0 0 -3.7700 -0.5400 -0.0400 H 0 0 0 0 0 0 -3.4700 -1.3500 -1.6000 H 0 0 0 0 0 0 -2.6300 2.5100 -1.3200 H 0 0 0 0 0 0 -4.1100 1.7700 -0.6400 H 0 0 0 0 0 0 -2.7600 0.7200 1.1300 H 0 0 0 0 0 0 -2.6100 2.5000 1.1500 H 0 0 0 0 0 0 -0.8200 3.4200 0.8900 H 0 0 0 0 0 0 0.0300 2.8200 -0.5600 H 0 0 0 0 0 0 1.5200 3.2800 1.4500 H 0 0 0 0 0 0 0.7100 1.9300 2.2800 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 18 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 15 16 1 0 16 17 1 0 17 18 1 0 19 1 1 0 20 1 1 0 21 1 1 0 22 3 1 0 23 3 1 0 24 4 1 0 25 5 1 0 26 5 1 0 27 7 1 0 28 7 1 0 29 8 1 0 30 8 1 0 31 10 1 0 32 10 1 0 33 11 1 0 34 11 1 0 35 13 1 0 36 13 1 0 37 14 1 0 38 14 1 0 39 16 1 0 40 16 1 0 41 17 1 0 42 17 1 0 M END $$$$