TDT2MOL COCC1CCC(COC)N1C2=CCCCC2 42 43 0 0 0 0 0 0.8400 -3.7700 0.8400 C 0 0 0 3 0 0 1.0500 -2.4900 0.4700 O 0 0 0 0 0 0 0.5500 -2.2700 -0.7600 C 0 0 0 2 0 0 0.8000 -0.8600 -1.1900 C 0 0 0 1 0 0 2.2700 -0.5100 -1.0500 C 0 0 0 2 0 0 2.3900 -0.1300 0.4300 C 0 0 0 2 0 0 1.1400 0.7100 0.6500 C 0 0 0 1 0 0 1.3700 2.1000 0.1300 C 0 0 0 2 0 0 2.2300 2.7300 0.9300 O 0 0 0 0 0 0 3.4000 3.0900 0.3900 C 0 0 0 3 0 0 0.1500 0.0300 -0.2100 N 0 0 0 0 0 0 -1.2600 0.1900 -0.1200 C 0 0 0 0 0 0 -2.0500 -0.4800 -1.0000 C 0 0 0 1 0 0 -3.5400 -0.3700 -0.9700 C 0 0 0 2 0 0 -4.0600 0.2200 0.3000 C 0 0 0 2 0 0 -3.2700 1.4500 0.6400 C 0 0 0 2 0 0 -1.8500 1.0700 0.9400 C 0 0 0 2 0 0 1.3400 -4.4400 0.1300 H 0 0 0 0 0 0 -0.2400 -3.9800 0.8300 H 0 0 0 0 0 0 1.2400 -3.9300 1.8500 H 0 0 0 0 0 0 1.0300 -2.9600 -1.4800 H 0 0 0 0 0 0 -0.5300 -2.4700 -0.7500 H 0 0 0 0 0 0 0.4000 -0.6800 -2.1800 H 0 0 0 0 0 0 2.5000 0.3900 -1.6500 H 0 0 0 0 0 0 2.9400 -1.3100 -1.3200 H 0 0 0 0 0 0 2.3200 -1.0500 1.0200 H 0 0 0 0 0 0 3.3100 0.3900 0.6400 H 0 0 0 0 0 0 0.8000 0.7200 1.6800 H 0 0 0 0 0 0 0.4000 2.6500 0.1700 H 0 0 0 0 0 0 1.6700 2.0600 -0.9200 H 0 0 0 0 0 0 3.2300 3.7000 -0.5200 H 0 0 0 0 0 0 3.9900 2.2000 0.1100 H 0 0 0 0 0 0 3.9800 3.6800 1.1200 H 0 0 0 0 0 0 -1.5800 -1.1200 -1.7600 H 0 0 0 0 0 0 -3.9800 -1.3700 -1.1500 H 0 0 0 0 0 0 -3.8300 0.2700 -1.8400 H 0 0 0 0 0 0 -5.1300 0.4800 0.1900 H 0 0 0 0 0 0 -3.9700 -0.5000 1.1300 H 0 0 0 0 0 0 -3.7100 1.9600 1.5200 H 0 0 0 0 0 0 -3.3000 2.1600 -0.2100 H 0 0 0 0 0 0 -1.8200 0.4900 1.8900 H 0 0 0 0 0 0 -1.2300 1.9700 1.0800 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 11 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 7 11 1 0 11 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 1 1 0 19 1 1 0 20 1 1 0 21 3 1 0 22 3 1 0 23 4 1 0 24 5 1 0 25 5 1 0 26 6 1 0 27 6 1 0 28 7 1 0 29 8 1 0 30 8 1 0 31 10 1 0 32 10 1 0 33 10 1 0 34 13 1 0 35 14 1 0 36 14 1 0 37 15 1 0 38 15 1 0 39 16 1 0 40 16 1 0 41 17 1 0 42 17 1 0 M END $$$$