TDT2MOL COc1cc2C=CN(C)C(O)(Cc3ccccc3)c2cc1OC 44 46 0 0 0 0 0 -0.0100 -0.0200 5.7400 C 0 0 0 3 0 0 -0.2800 -1.1400 5.0400 O 0 0 0 0 0 0 -0.3100 -0.9000 3.6700 C 0 0 0 0 0 0 -0.5900 -1.9900 2.8200 C 0 0 0 1 0 0 -0.6300 -1.8000 1.4300 C 0 0 0 0 0 0 -0.9200 -2.9700 0.5400 C 0 0 0 1 0 0 -0.9700 -2.7700 -0.7900 C 0 0 0 1 0 0 -0.7400 -1.4600 -1.3600 N 0 0 0 0 0 0 -0.8100 -1.3300 -2.8100 C 0 0 0 3 0 0 -0.4500 -0.2800 -0.5900 C 0 0 0 0 0 0 -1.4100 0.6500 -0.8400 O 0 0 0 1 0 0 0.8800 0.2800 -1.0200 C 0 0 0 2 0 0 0.8500 0.6000 -2.4900 C 0 0 0 0 0 0 -0.0800 1.5400 -2.9700 C 0 0 0 1 0 0 -0.1100 1.8400 -4.3300 C 0 0 0 1 0 0 0.7800 1.2200 -5.2200 C 0 0 0 1 0 0 1.7000 0.2800 -4.7300 C 0 0 0 1 0 0 1.7400 -0.0200 -3.3700 C 0 0 0 1 0 0 -0.4100 -0.5400 0.8900 C 0 0 0 0 0 0 -0.1400 0.5400 1.7400 C 0 0 0 1 0 0 -0.0900 0.3700 3.1200 C 0 0 0 0 0 0 0.1800 1.4500 3.9600 O 0 0 0 0 0 0 0.3600 2.5800 3.2700 C 0 0 0 3 0 0 -0.7900 0.7300 5.5600 H 0 0 0 0 0 0 0.0200 -0.2600 6.8100 H 0 0 0 0 0 0 0.9800 0.3800 5.4400 H 0 0 0 0 0 0 -0.7600 -2.9800 3.2500 H 0 0 0 0 0 0 -1.1000 -3.9700 0.9600 H 0 0 0 0 0 0 -1.1800 -3.6200 -1.4600 H 0 0 0 0 0 0 -1.3400 -0.4000 -3.0600 H 0 0 0 0 0 0 -1.3500 -2.2000 -3.2100 H 0 0 0 0 0 0 0.2100 -1.3100 -3.2200 H 0 0 0 0 0 0 -1.2200 1.4500 -0.3700 H 0 0 0 0 0 0 1.6600 -0.4700 -0.8300 H 0 0 0 0 0 0 1.1000 1.2000 -0.4600 H 0 0 0 0 0 0 -0.7800 2.0300 -2.2800 H 0 0 0 0 0 0 -0.8400 2.5800 -4.7200 H 0 0 0 0 0 0 0.7500 1.4600 -6.2900 H 0 0 0 0 0 0 2.4000 -0.2100 -5.4200 H 0 0 0 0 0 0 2.4600 -0.7600 -2.9800 H 0 0 0 0 0 0 0.0300 1.5300 1.2900 H 0 0 0 0 0 0 1.2200 2.4800 2.5900 H 0 0 0 0 0 0 -0.5500 2.8300 2.7000 H 0 0 0 0 0 0 0.5700 3.4100 3.9700 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 21 1 0 3 4 2 0 4 5 1 0 5 19 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 18 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 10 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 4 1 0 28 6 1 0 29 7 1 0 30 9 1 0 31 9 1 0 32 9 1 0 33 11 1 0 34 12 1 0 35 12 1 0 36 14 1 0 37 15 1 0 38 16 1 0 39 17 1 0 40 18 1 0 41 20 1 0 42 23 1 0 43 23 1 0 44 23 1 0 M END $$$$