TDT2MOL CC1C2CC(CC1C=C2)OC(=O)C(CO)c3ccccc3 43 45 0 0 0 0 0 5.0500 0.4400 -0.9500 C 0 0 0 3 0 0 3.5900 0.4200 -0.6900 C 0 0 0 1 0 0 3.2000 1.3200 0.5000 C 0 0 0 1 0 0 1.7300 1.4000 0.6600 C 0 0 0 2 0 0 0.9800 0.3700 -0.1600 C 0 0 0 1 0 0 1.6400 -0.9900 0.0000 C 0 0 0 2 0 0 3.1300 -0.9300 -0.1200 C 0 0 0 1 0 0 3.8000 -0.8300 1.2700 C 0 0 0 1 0 0 3.8400 0.4700 1.6300 C 0 0 0 1 0 0 -0.3300 0.3300 0.1400 O 0 0 0 0 0 0 -0.9300 -0.6200 -0.6000 C 0 0 0 0 0 0 -0.4100 -0.9400 -1.6900 O 0 0 0 0 0 0 -2.1900 -1.2800 -0.1300 C 0 0 0 1 0 0 -2.1100 -1.5600 1.3400 C 0 0 0 2 0 0 -1.9700 -0.4100 2.0100 O 0 0 0 1 0 0 -3.3600 -0.3900 -0.4300 C 0 0 0 0 0 0 -3.3100 0.9700 -0.1100 C 0 0 0 1 0 0 -4.4100 1.7900 -0.3900 C 0 0 0 1 0 0 -5.5600 1.2600 -0.9800 C 0 0 0 1 0 0 -5.6100 -0.1100 -1.3000 C 0 0 0 1 0 0 -4.5100 -0.9300 -1.0200 C 0 0 0 1 0 0 5.6000 0.1900 -0.0300 H 0 0 0 0 0 0 5.3500 1.4400 -1.2900 H 0 0 0 0 0 0 5.2900 -0.3000 -1.7200 H 0 0 0 0 0 0 3.0200 0.6800 -1.5700 H 0 0 0 0 0 0 3.7400 2.2600 0.4600 H 0 0 0 0 0 0 1.3400 2.4100 0.3700 H 0 0 0 0 0 0 1.4100 1.3000 1.7200 H 0 0 0 0 0 0 1.0600 0.6600 -1.2400 H 0 0 0 0 0 0 1.2000 -1.6800 -0.7600 H 0 0 0 0 0 0 1.3100 -1.4300 0.9700 H 0 0 0 0 0 0 3.6000 -1.7600 -0.6500 H 0 0 0 0 0 0 4.1500 -1.6900 1.8200 H 0 0 0 0 0 0 4.2400 0.9000 2.5300 H 0 0 0 0 0 0 -2.3200 -2.2300 -0.6800 H 0 0 0 0 0 0 -1.2500 -2.2100 1.5400 H 0 0 0 0 0 0 -3.0300 -2.0800 1.6600 H 0 0 0 0 0 0 -2.7400 0.1400 1.8800 H 0 0 0 0 0 0 -2.4100 1.4000 0.3600 H 0 0 0 0 0 0 -4.3700 2.8600 -0.1400 H 0 0 0 0 0 0 -6.4200 1.9000 -1.2000 H 0 0 0 0 0 0 -6.5100 -0.5300 -1.7700 H 0 0 0 0 0 0 -4.5500 -2.0000 -1.2700 H 0 0 0 0 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 9 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 5 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 21 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 22 1 1 0 23 1 1 0 24 1 1 0 25 2 1 0 26 3 1 0 27 4 1 0 28 4 1 0 29 5 1 0 30 6 1 0 31 6 1 0 32 7 1 0 33 8 1 0 34 9 1 0 35 13 1 0 36 14 1 0 37 14 1 0 38 15 1 0 39 17 1 0 40 18 1 0 41 19 1 0 42 20 1 0 43 21 1 0 M END $$$$