TDT2MOL COC(=O)CCCCC(C)(CCC(=O)OC)C(=O)O 41 40 0 0 0 0 0 -5.3000 1.1600 0.1900 C 0 0 0 3 0 0 -4.1800 0.6900 -0.4000 O 0 0 0 0 0 0 -3.1600 1.5500 -0.1900 C 0 0 0 0 0 0 -3.3400 2.5600 0.5200 O 0 0 0 0 0 0 -1.8200 1.3000 -0.8100 C 0 0 0 2 0 0 -1.6700 -0.1700 -1.0900 C 0 0 0 2 0 0 -1.7800 -0.9600 0.1700 C 0 0 0 2 0 0 -0.7100 -0.6300 1.1500 C 0 0 0 2 0 0 0.6700 -0.8800 0.6100 C 0 0 0 0 0 0 0.8100 -2.3000 0.1700 C 0 0 0 3 0 0 1.6800 -0.5900 1.7000 C 0 0 0 2 0 0 3.0700 -0.8100 1.2100 C 0 0 0 2 0 0 3.3200 0.0000 -0.0300 C 0 0 0 0 0 0 3.2100 -0.5200 -1.1600 O 0 0 0 0 0 0 3.6600 1.3000 0.0700 O 0 0 0 0 0 0 4.2500 1.6900 -1.0900 C 0 0 0 3 0 0 0.9700 0.0400 -0.5400 C 0 0 0 0 0 0 0.9100 1.2800 -0.3500 O 0 0 0 0 0 0 1.2900 -0.4300 -1.7600 O 0 0 0 1 0 0 -6.1300 0.4500 0.0200 H 0 0 0 0 0 0 -5.1300 1.2700 1.2700 H 0 0 0 0 0 0 -5.5600 2.1300 -0.2500 H 0 0 0 0 0 0 -1.0300 1.6300 -0.1200 H 0 0 0 0 0 0 -1.7400 1.8700 -1.7500 H 0 0 0 0 0 0 -2.4600 -0.4800 -1.8000 H 0 0 0 0 0 0 -0.6900 -0.3600 -1.5700 H 0 0 0 0 0 0 -1.7700 -2.0400 -0.0600 H 0 0 0 0 0 0 -2.7700 -0.7500 0.6200 H 0 0 0 0 0 0 -0.8600 -1.2500 2.0600 H 0 0 0 0 0 0 -0.7900 0.4300 1.4500 H 0 0 0 0 0 0 0.6400 -2.9700 1.0300 H 0 0 0 0 0 0 0.0700 -2.5300 -0.6100 H 0 0 0 0 0 0 1.8100 -2.4800 -0.2300 H 0 0 0 0 0 0 1.4800 -1.2600 2.5600 H 0 0 0 0 0 0 1.5600 0.4500 2.0300 H 0 0 0 0 0 0 3.2500 -1.8700 0.9900 H 0 0 0 0 0 0 3.8000 -0.5000 1.9800 H 0 0 0 0 0 0 3.5500 1.5500 -1.9200 H 0 0 0 0 0 0 4.5400 2.7500 -1.0100 H 0 0 0 0 0 0 5.1600 1.0800 -1.2600 H 0 0 0 0 0 0 1.2000 -1.3700 -1.7800 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 9 17 1 0 17 18 2 0 17 19 1 0 20 1 1 0 21 1 1 0 22 1 1 0 23 5 1 0 24 5 1 0 25 6 1 0 26 6 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 10 1 0 34 11 1 0 35 11 1 0 36 12 1 0 37 12 1 0 38 16 1 0 39 16 1 0 40 16 1 0 41 19 1 0 M END $$$$