TDT2MOL COC(=O)CCC(C)(C(CC(=O)OC)C(=O)C)C(=O)O 40 39 0 0 0 0 0 5.3600 0.9400 -1.3300 C 0 0 0 3 0 0 4.0800 0.7000 -0.9800 O 0 0 0 0 0 0 4.0500 -0.0400 0.1500 C 0 0 0 0 0 0 5.1100 -0.5300 0.5900 O 0 0 0 0 0 0 2.7500 -0.2600 0.8800 C 0 0 0 2 0 0 1.6000 0.0000 -0.0400 C 0 0 0 2 0 0 0.2900 -0.0900 0.7100 C 0 0 0 0 0 0 0.1200 -1.4600 1.2800 C 0 0 0 3 0 0 -0.8400 0.2300 -0.2200 C 0 0 0 1 0 0 -2.1500 0.2300 0.5100 C 0 0 0 2 0 0 -3.2600 0.6700 -0.4000 C 0 0 0 0 0 0 -3.2700 0.3100 -1.6000 O 0 0 0 0 0 0 -4.2400 1.4700 0.0700 O 0 0 0 0 0 0 -5.2600 1.4900 -0.8100 C 0 0 0 3 0 0 -0.8700 -0.7800 -1.3300 C 0 0 0 0 0 0 -0.1500 -0.6200 -2.3400 O 0 0 0 0 0 0 -1.7700 -1.9800 -1.2300 C 0 0 0 3 0 0 0.3100 0.9200 1.8300 C 0 0 0 0 0 0 1.2200 1.7800 1.8800 O 0 0 0 0 0 0 -0.6600 0.9000 2.7700 O 0 0 0 1 0 0 5.8800 -0.0100 -1.5000 H 0 0 0 0 0 0 5.8600 1.5000 -0.5300 H 0 0 0 0 0 0 5.3800 1.5400 -2.2600 H 0 0 0 0 0 0 2.7100 0.4300 1.7400 H 0 0 0 0 0 0 2.7500 -1.2900 1.2400 H 0 0 0 0 0 0 1.6900 1.0100 -0.4800 H 0 0 0 0 0 0 1.5900 -0.7400 -0.8500 H 0 0 0 0 0 0 0.1100 -2.2000 0.4700 H 0 0 0 0 0 0 -0.8300 -1.5100 1.8400 H 0 0 0 0 0 0 0.9400 -1.6800 1.9800 H 0 0 0 0 0 0 -0.6700 1.2300 -0.6600 H 0 0 0 0 0 0 -2.1000 0.9300 1.3600 H 0 0 0 0 0 0 -2.3900 -0.7800 0.8700 H 0 0 0 0 0 0 -4.9100 1.8800 -1.7800 H 0 0 0 0 0 0 -5.6500 0.4600 -0.9600 H 0 0 0 0 0 0 -6.0700 2.1300 -0.4300 H 0 0 0 0 0 0 -1.7700 -2.3500 -0.1900 H 0 0 0 0 0 0 -2.7900 -1.6900 -1.5200 H 0 0 0 0 0 0 -1.4100 -2.7700 -1.9000 H 0 0 0 0 0 0 -0.7200 0.0300 3.1400 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 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 9 15 1 0 15 16 2 0 15 17 1 0 7 18 1 0 18 19 2 0 18 20 1 0 21 1 1 0 22 1 1 0 23 1 1 0 24 5 1 0 25 5 1 0 26 6 1 0 27 6 1 0 28 8 1 0 29 8 1 0 30 8 1 0 31 9 1 0 32 10 1 0 33 10 1 0 34 14 1 0 35 14 1 0 36 14 1 0 37 17 1 0 38 17 1 0 39 17 1 0 40 20 1 0 M END $$$$