TDT2MOL CCOC(=O)C(=CC1COC2(CCCCC2)O1)C(=O)OCC 46 47 0 0 0 0 0 -5.2700 2.4600 -1.2300 C 0 0 0 3 0 0 -4.1800 2.6900 -0.2200 C 0 0 0 2 0 0 -3.4500 1.5700 -0.0900 O 0 0 0 0 0 0 -2.4700 1.7800 0.8200 C 0 0 0 0 0 0 -2.5900 2.7300 1.6300 O 0 0 0 0 0 0 -1.2600 0.9000 0.8600 C 0 0 0 0 0 0 -0.2900 1.1400 1.7700 C 0 0 0 1 0 0 0.9300 0.2700 1.8300 C 0 0 0 1 0 0 0.6800 -1.1900 1.9700 C 0 0 0 2 0 0 1.4000 -1.7700 0.9500 O 0 0 0 0 0 0 2.1700 -0.8000 0.3900 C 0 0 0 0 0 0 3.5400 -0.8400 1.0000 C 0 0 0 2 0 0 4.3800 0.2400 0.3900 C 0 0 0 2 0 0 4.4800 0.0200 -1.0900 C 0 0 0 2 0 0 3.1100 0.0500 -1.7000 C 0 0 0 2 0 0 2.2600 -1.0200 -1.0800 C 0 0 0 2 0 0 1.6000 0.4100 0.6400 O 0 0 0 0 0 0 -1.1400 -0.2300 -0.1100 C 0 0 0 0 0 0 -0.1400 -0.9900 -0.1000 O 0 0 0 0 0 0 -2.1200 -0.4600 -1.0200 O 0 0 0 0 0 0 -2.0600 -1.7500 -1.4200 C 0 0 0 2 0 0 -2.3000 -2.6500 -0.2400 C 0 0 0 3 0 0 -5.9200 1.6400 -0.9000 H 0 0 0 0 0 0 -4.8200 2.2000 -2.2000 H 0 0 0 0 0 0 -5.8700 3.3800 -1.3400 H 0 0 0 0 0 0 -3.5400 3.5200 -0.5600 H 0 0 0 0 0 0 -4.6400 2.9500 0.7500 H 0 0 0 0 0 0 -0.4100 1.9800 2.4700 H 0 0 0 0 0 0 1.6000 0.6900 2.6000 H 0 0 0 0 0 0 -0.3700 -1.4900 1.8200 H 0 0 0 0 0 0 1.0300 -1.6300 2.9100 H 0 0 0 0 0 0 3.4600 -0.6700 2.0900 H 0 0 0 0 0 0 4.0000 -1.8200 0.8100 H 0 0 0 0 0 0 5.3900 0.2100 0.8400 H 0 0 0 0 0 0 3.9200 1.2200 0.5800 H 0 0 0 0 0 0 4.9400 -0.9600 -1.2800 H 0 0 0 0 0 0 5.1000 0.8100 -1.5400 H 0 0 0 0 0 0 3.1900 -0.1100 -2.7800 H 0 0 0 0 0 0 2.6500 1.0400 -1.5000 H 0 0 0 0 0 0 2.7200 -2.0000 -1.2800 H 0 0 0 0 0 0 1.2600 -0.9900 -1.5300 H 0 0 0 0 0 0 -2.8300 -1.9300 -2.1800 H 0 0 0 0 0 0 -1.0700 -1.9700 -1.8500 H 0 0 0 0 0 0 -3.2900 -2.4400 0.1800 H 0 0 0 0 0 0 -1.5300 -2.4700 0.5200 H 0 0 0 0 0 0 -2.2600 -3.7000 -0.5700 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 2 0 7 8 1 0 8 17 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 11 17 1 0 6 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 23 1 1 0 24 1 1 0 25 1 1 0 26 2 1 0 27 2 1 0 28 7 1 0 29 8 1 0 30 9 1 0 31 9 1 0 32 12 1 0 33 12 1 0 34 13 1 0 35 13 1 0 36 14 1 0 37 14 1 0 38 15 1 0 39 15 1 0 40 16 1 0 41 16 1 0 42 21 1 0 43 21 1 0 44 22 1 0 45 22 1 0 46 22 1 0 M END $$$$