TDT2MOL COC(=O)CCCCC(C)(CNC(=O)C)OC 40 39 0 0 0 0 0 -6.5000 0.0700 -0.6500 C 0 0 0 3 0 0 -5.4300 0.2500 0.1600 O 0 0 0 0 0 0 -4.5700 -0.7800 -0.0200 C 0 0 0 0 0 0 -4.9100 -1.7700 -0.6800 O 0 0 0 0 0 0 -3.1900 -0.7100 0.5800 C 0 0 0 2 0 0 -2.1800 -0.4600 -0.5000 C 0 0 0 2 0 0 -0.8100 -0.3700 0.1100 C 0 0 0 2 0 0 0.2000 -0.1300 -0.9700 C 0 0 0 2 0 0 1.6000 -0.1600 -0.4100 C 0 0 0 0 0 0 2.5800 0.1500 -1.5100 C 0 0 0 3 0 0 1.7400 0.8900 0.6700 C 0 0 0 2 0 0 3.1000 0.8900 1.1700 N 0 0 0 1 0 0 3.7500 2.1400 1.5000 C 0 0 0 0 0 0 3.1300 3.2200 1.3600 O 0 0 0 0 0 0 5.1600 2.1500 2.0200 C 0 0 0 3 0 0 1.8700 -1.3600 0.1300 O 0 0 0 0 0 0 1.5000 -2.4100 -0.6000 C 0 0 0 3 0 0 -7.0000 -0.8800 -0.4000 H 0 0 0 0 0 0 -6.1700 0.0600 -1.7000 H 0 0 0 0 0 0 -7.2000 0.9100 -0.5000 H 0 0 0 0 0 0 -2.9700 -1.6600 1.0900 H 0 0 0 0 0 0 -3.1600 0.1200 1.3100 H 0 0 0 0 0 0 -2.2000 -1.2900 -1.2200 H 0 0 0 0 0 0 -2.4200 0.4800 -1.0100 H 0 0 0 0 0 0 -0.8000 0.4600 0.8400 H 0 0 0 0 0 0 -0.5800 -1.3100 0.6300 H 0 0 0 0 0 0 0.0100 0.8500 -1.4400 H 0 0 0 0 0 0 0.1200 -0.9000 -1.7400 H 0 0 0 0 0 0 2.3800 1.1600 -1.9100 H 0 0 0 0 0 0 3.6000 0.1100 -1.1100 H 0 0 0 0 0 0 2.4800 -0.5800 -2.3200 H 0 0 0 0 0 0 1.5100 1.8800 0.2400 H 0 0 0 0 0 0 1.0600 0.6800 1.5000 H 0 0 0 0 0 0 3.5900 0.0300 1.2800 H 0 0 0 0 0 0 5.3800 1.1800 2.4900 H 0 0 0 0 0 0 5.8500 2.3200 1.1900 H 0 0 0 0 0 0 5.2700 2.9500 2.7700 H 0 0 0 0 0 0 1.8600 -2.3400 -1.6300 H 0 0 0 0 0 0 1.9300 -3.3200 -0.1400 H 0 0 0 0 0 0 0.4000 -2.5200 -0.6100 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 9 16 1 0 16 17 1 0 18 1 1 0 19 1 1 0 20 1 1 0 21 5 1 0 22 5 1 0 23 6 1 0 24 6 1 0 25 7 1 0 26 7 1 0 27 8 1 0 28 8 1 0 29 10 1 0 30 10 1 0 31 10 1 0 32 11 1 0 33 11 1 0 34 12 1 0 35 15 1 0 36 15 1 0 37 15 1 0 38 17 1 0 39 17 1 0 40 17 1 0 M END $$$$