TDT2MOL COC(=O)C1=NNCC1C2COC3(CCCCC3)O2 39 41 0 0 0 0 0 -4.9800 -0.1400 2.2800 C 0 0 0 3 0 0 -4.8400 -0.0800 0.9400 O 0 0 0 0 0 0 -3.6500 -0.6500 0.6000 C 0 0 0 0 0 0 -3.1800 -1.5200 1.3700 O 0 0 0 0 0 0 -2.9500 -0.2500 -0.6400 C 0 0 0 0 0 0 -3.3900 0.6300 -1.4500 N 0 0 0 0 0 0 -2.4200 0.7600 -2.5600 N 0 0 0 1 0 0 -1.2900 -0.1700 -2.3700 C 0 0 0 2 0 0 -1.6100 -0.8500 -1.0700 C 0 0 0 1 0 0 -0.6300 -0.5900 0.0300 C 0 0 0 1 0 0 -0.3400 0.8600 0.2500 C 0 0 0 2 0 0 0.9900 0.8800 0.5800 O 0 0 0 0 0 0 1.5400 -0.2500 0.0600 C 0 0 0 0 0 0 2.4200 -0.8900 1.1000 C 0 0 0 2 0 0 3.5000 0.0700 1.5100 C 0 0 0 2 0 0 4.3300 0.4300 0.3100 C 0 0 0 2 0 0 3.4600 1.0700 -0.7200 C 0 0 0 2 0 0 2.3700 0.1200 -1.1300 C 0 0 0 2 0 0 0.5800 -1.1200 -0.3100 O 0 0 0 0 0 0 -4.9600 -1.1800 2.6100 H 0 0 0 0 0 0 -4.1500 0.4100 2.7600 H 0 0 0 0 0 0 -5.9400 0.3200 2.5600 H 0 0 0 0 0 0 -2.5300 1.3700 -3.3200 H 0 0 0 0 0 0 -0.3700 0.4400 -2.3600 H 0 0 0 0 0 0 -1.2700 -0.8300 -3.2400 H 0 0 0 0 0 0 -1.7700 -1.9300 -1.1800 H 0 0 0 0 0 0 -0.9600 -1.0900 0.9500 H 0 0 0 0 0 0 -0.4500 1.4700 -0.6600 H 0 0 0 0 0 0 -0.9100 1.3200 1.0700 H 0 0 0 0 0 0 1.8100 -1.1500 1.9800 H 0 0 0 0 0 0 2.8700 -1.8000 0.6900 H 0 0 0 0 0 0 4.1400 -0.4000 2.2700 H 0 0 0 0 0 0 3.0400 0.9800 1.9300 H 0 0 0 0 0 0 5.1200 1.1300 0.6200 H 0 0 0 0 0 0 4.7800 -0.4800 -0.1000 H 0 0 0 0 0 0 4.0600 1.3400 -1.6000 H 0 0 0 0 0 0 3.0000 1.9800 -0.3000 H 0 0 0 0 0 0 1.7400 0.5900 -1.8900 H 0 0 0 0 0 0 2.8300 -0.7900 -1.5500 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 19 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 13 19 1 0 20 1 1 0 21 1 1 0 22 1 1 0 23 7 1 0 24 8 1 0 25 8 1 0 26 9 1 0 27 10 1 0 28 11 1 0 29 11 1 0 30 14 1 0 31 14 1 0 32 15 1 0 33 15 1 0 34 16 1 0 35 16 1 0 36 17 1 0 37 17 1 0 38 18 1 0 39 18 1 0 M END $$$$