TDT2MOL O=C(C1C=COC1c2ccccc2)N3C(COC3=O)c4ccccc4 42 45 0 0 0 0 0 -0.1000 1.3300 1.2700 O 0 0 0 0 0 0 -0.1200 0.1400 1.6600 C 0 0 0 0 0 0 -1.4000 -0.4000 2.2300 C 0 0 0 1 0 0 -1.1200 -1.8600 2.6400 C 0 0 0 1 0 0 -1.7700 -2.6400 1.7400 C 0 0 0 1 0 0 -2.4400 -1.9100 0.8000 O 0 0 0 0 0 0 -2.4900 -0.6000 1.2200 C 0 0 0 1 0 0 -2.4000 0.2900 0.0300 C 0 0 0 0 0 0 -1.2700 0.2600 -0.7900 C 0 0 0 1 0 0 -1.1900 1.1000 -1.9100 C 0 0 0 1 0 0 -2.2400 1.9600 -2.2200 C 0 0 0 1 0 0 -3.3800 1.9900 -1.4000 C 0 0 0 1 0 0 -3.4600 1.1600 -0.2800 C 0 0 0 1 0 0 1.0300 -0.6800 1.5800 N 0 0 0 0 0 0 2.3300 -0.2300 0.9900 C 0 0 0 1 0 0 3.0100 -1.6100 0.9800 C 0 0 0 2 0 0 2.7000 -2.1100 2.1400 O 0 0 0 0 0 0 1.2400 -2.0400 1.9100 C 0 0 0 0 0 0 1.0000 -3.0800 2.1600 O 0 0 0 0 0 0 2.1500 0.3600 -0.3400 C 0 0 0 0 0 0 2.4600 1.7100 -0.5700 C 0 0 0 1 0 0 2.2900 2.2700 -1.8400 C 0 0 0 1 0 0 1.8000 1.4900 -2.8900 C 0 0 0 1 0 0 1.4800 0.1500 -2.6700 C 0 0 0 1 0 0 1.6500 -0.4200 -1.4000 C 0 0 0 1 0 0 -1.6800 0.1600 3.1300 H 0 0 0 0 0 0 -0.5200 -2.1600 3.4700 H 0 0 0 0 0 0 -1.7600 -3.7300 1.7600 H 0 0 0 0 0 0 -3.4900 -0.4700 1.6700 H 0 0 0 0 0 0 -0.4300 -0.4200 -0.5500 H 0 0 0 0 0 0 -0.2900 1.0700 -2.5500 H 0 0 0 0 0 0 -2.1800 2.6200 -3.1000 H 0 0 0 0 0 0 -4.2100 2.6700 -1.6400 H 0 0 0 0 0 0 -4.3500 1.1800 0.3600 H 0 0 0 0 0 0 2.8000 0.4400 1.7100 H 0 0 0 0 0 0 2.7500 -2.1800 0.0900 H 0 0 0 0 0 0 4.1100 -1.4700 0.9600 H 0 0 0 0 0 0 2.8500 2.3200 0.2600 H 0 0 0 0 0 0 2.5400 3.3300 -2.0100 H 0 0 0 0 0 0 1.6600 1.9400 -3.8900 H 0 0 0 0 0 0 1.0900 -0.4700 -3.5000 H 0 0 0 0 0 0 1.4000 -1.4700 -1.2300 H 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 7 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 2 14 1 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 15 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 26 3 1 0 27 4 1 0 28 5 1 0 29 7 1 0 30 9 1 0 31 10 1 0 32 11 1 0 33 12 1 0 34 13 1 0 35 15 1 0 36 16 1 0 37 16 1 0 38 21 1 0 39 22 1 0 40 23 1 0 41 24 1 0 42 25 1 0 M END $$$$