TDT2MOL COC(=O)C=CC(=N(O)Cc1ccccc1)C2COC(C)(C)O2 46 47 0 0 0 0 0 -4.5200 4.6600 -0.2600 C 0 0 0 3 0 0 -3.9800 3.5700 -0.8600 O 0 0 0 0 0 0 -2.8700 3.1900 -0.1900 C 0 0 0 0 0 0 -2.3600 3.9600 0.6500 O 0 0 0 0 0 0 -2.2600 1.8500 -0.4400 C 0 0 0 1 0 0 -1.1600 1.4700 0.2300 C 0 0 0 1 0 0 -0.5400 0.1200 -0.0200 C 0 0 0 0 0 0 0.6900 -0.0300 0.1800 N 0 0 0 1 0 0 0.9200 -0.0900 1.5100 O 0 0 0 1 0 0 1.4200 1.0800 -0.3900 C 0 0 0 2 0 0 2.8900 0.8900 -0.1700 C 0 0 0 0 0 0 3.4800 1.3300 1.0200 C 0 0 0 1 0 0 4.8500 1.1400 1.2300 C 0 0 0 1 0 0 5.6300 0.5200 0.2500 C 0 0 0 1 0 0 5.0400 0.0700 -0.9400 C 0 0 0 1 0 0 3.6700 0.2600 -1.1500 C 0 0 0 1 0 0 -1.4300 -1.0800 -0.0700 C 0 0 0 1 0 0 -1.7100 -1.7100 1.2500 C 0 0 0 2 0 0 -1.7500 -3.0500 0.9900 O 0 0 0 0 0 0 -1.1800 -3.2500 -0.2200 C 0 0 0 0 0 0 0.0300 -4.1300 -0.0500 C 0 0 0 3 0 0 -2.1600 -3.9400 -1.1200 C 0 0 0 3 0 0 -0.8100 -2.0800 -0.7800 O 0 0 0 0 0 0 -4.7900 4.4100 0.7800 H 0 0 0 0 0 0 -5.4100 4.9800 -0.8100 H 0 0 0 0 0 0 -3.7800 5.4800 -0.2500 H 0 0 0 0 0 0 -2.7100 1.1700 -1.1800 H 0 0 0 0 0 0 -0.7000 2.1500 0.9700 H 0 0 0 0 0 0 0.9800 -0.8800 -0.2500 H 0 0 0 0 0 0 0.6300 0.7200 1.9100 H 0 0 0 0 0 0 1.0900 2.0200 0.0900 H 0 0 0 0 0 0 1.2200 1.1400 -1.4700 H 0 0 0 0 0 0 2.8700 1.8200 1.7900 H 0 0 0 0 0 0 5.3200 1.4900 2.1600 H 0 0 0 0 0 0 6.7100 0.3700 0.4100 H 0 0 0 0 0 0 5.6500 -0.4200 -1.7100 H 0 0 0 0 0 0 3.2000 -0.0900 -2.0800 H 0 0 0 0 0 0 -2.3500 -0.8300 -0.6200 H 0 0 0 0 0 0 -2.6600 -1.4000 1.7100 H 0 0 0 0 0 0 -0.8900 -1.5500 1.9800 H 0 0 0 0 0 0 0.7600 -3.6300 0.6100 H 0 0 0 0 0 0 -0.2700 -5.0900 0.3900 H 0 0 0 0 0 0 0.4900 -4.3000 -1.0400 H 0 0 0 0 0 0 -2.4700 -4.9000 -0.6800 H 0 0 0 0 0 0 -3.0500 -3.3000 -1.2500 H 0 0 0 0 0 0 -1.7000 -4.1200 -2.1100 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 7 17 1 0 17 23 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 5 1 0 28 6 1 0 29 8 1 0 30 9 1 0 31 10 1 0 32 10 1 0 33 12 1 0 34 13 1 0 35 14 1 0 36 15 1 0 37 16 1 0 38 17 1 0 39 18 1 0 40 18 1 0 41 21 1 0 42 21 1 0 43 21 1 0 44 22 1 0 45 22 1 0 46 22 1 0 M END $$$$