TDT2MOL CC(=CCC(OC(=O)C)c1coc(c1)C2=CC(=O)C=CC2=O)C 41 42 0 0 0 0 0 -3.7900 -2.1200 1.1200 C 0 0 0 3 0 0 -3.6500 -1.0000 0.1300 C 0 0 0 0 0 0 -2.6800 -1.0500 -0.8100 C 0 0 0 1 0 0 -2.5500 0.0700 -1.8000 C 0 0 0 2 0 0 -1.4400 0.9900 -1.3800 C 0 0 0 1 0 0 -1.7100 1.4900 -0.1500 O 0 0 0 0 0 0 -0.7000 2.3200 0.2100 C 0 0 0 0 0 0 -0.0500 2.8900 -0.6900 O 0 0 0 0 0 0 -0.3600 2.5300 1.6500 C 0 0 0 3 0 0 -0.1500 0.2100 -1.3300 C 0 0 0 0 0 0 0.1500 -0.9200 -2.0900 C 0 0 0 1 0 0 1.4400 -1.3400 -1.7500 O 0 0 0 0 0 0 1.9300 -0.4700 -0.7700 C 0 0 0 0 0 0 0.9500 0.4900 -0.5100 C 0 0 0 1 0 0 3.2800 -0.5500 -0.1100 C 0 0 0 0 0 0 4.1400 -1.5300 -0.4400 C 0 0 0 1 0 0 5.4900 -1.6000 0.2200 C 0 0 0 0 0 0 6.2900 -2.5100 -0.0900 O 0 0 0 0 0 0 5.8700 -0.5800 1.2500 C 0 0 0 1 0 0 5.0000 0.4000 1.5900 C 0 0 0 1 0 0 3.6600 0.4700 0.9300 C 0 0 0 0 0 0 2.8500 1.3700 1.2400 O 0 0 0 0 0 0 -4.6000 0.1600 0.1800 C 0 0 0 3 0 0 -3.0300 -2.8900 0.9100 H 0 0 0 0 0 0 -3.6300 -1.7300 2.1400 H 0 0 0 0 0 0 -4.7900 -2.5600 1.0500 H 0 0 0 0 0 0 -1.9900 -1.9000 -0.8400 H 0 0 0 0 0 0 -3.4900 0.6400 -1.8300 H 0 0 0 0 0 0 -2.3300 -0.3400 -2.7900 H 0 0 0 0 0 0 -1.3400 1.8100 -2.1100 H 0 0 0 0 0 0 0.5200 3.1900 1.7300 H 0 0 0 0 0 0 -1.2100 3.0000 2.1700 H 0 0 0 0 0 0 -0.1300 1.5600 2.1200 H 0 0 0 0 0 0 -0.5100 -1.4000 -2.8400 H 0 0 0 0 0 0 1.0300 1.3100 0.2100 H 0 0 0 0 0 0 3.8700 -2.2700 -1.2000 H 0 0 0 0 0 0 6.8600 -0.6300 1.7400 H 0 0 0 0 0 0 5.2800 1.1500 2.3500 H 0 0 0 0 0 0 -5.3100 0.0200 1.0100 H 0 0 0 0 0 0 -4.0300 1.0900 0.3500 H 0 0 0 0 0 0 -5.1400 0.2300 -0.7700 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 2 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 3 1 0 28 4 1 0 29 4 1 0 30 5 1 0 31 9 1 0 32 9 1 0 33 9 1 0 34 11 1 0 35 14 1 0 36 16 1 0 37 19 1 0 38 20 1 0 39 23 1 0 40 23 1 0 41 23 1 0 M END $$$$