TDT2MOL Cn1cc(N(=O)=O)c2ccccc12 21 22 0 0 0 0 0 -2.6000 -1.1500 0.2200 C 0 0 0 3 0 0 -1.4700 -0.2600 0.0500 N 0 0 0 0 0 0 -1.5400 1.1200 -0.2200 C 0 0 0 1 0 0 -0.2300 1.6100 -0.3100 C 0 0 0 0 0 0 0.1200 2.9500 -0.5700 N 0 0 0 0 0 0 -0.8100 3.8400 -0.7500 O 0 0 0 0 0 0 1.3700 3.2900 -0.6400 O 0 0 0 0 0 0 0.6400 0.5500 -0.1100 C 0 0 0 0 0 0 2.0300 0.4900 -0.1000 C 0 0 0 1 0 0 2.6600 -0.7400 0.1400 C 0 0 0 1 0 0 1.9000 -1.8900 0.3700 C 0 0 0 1 0 0 0.5000 -1.8200 0.3600 C 0 0 0 1 0 0 -0.1200 -0.6000 0.1200 C 0 0 0 0 0 0 -3.3900 -0.6400 0.7900 H 0 0 0 0 0 0 -2.2700 -2.0500 0.7700 H 0 0 0 0 0 0 -2.9900 -1.4400 -0.7600 H 0 0 0 0 0 0 -2.4700 1.7100 -0.3300 H 0 0 0 0 0 0 2.6300 1.4000 -0.2700 H 0 0 0 0 0 0 3.7600 -0.7900 0.1600 H 0 0 0 0 0 0 2.4000 -2.8500 0.5600 H 0 0 0 0 0 0 -0.1000 -2.7300 0.5300 H 0 0 0 0 0 0 1 2 1 0 2 13 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 2 0 4 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 14 1 1 0 15 1 1 0 16 1 1 0 17 3 1 0 18 9 1 0 19 10 1 0 20 11 1 0 21 12 1 0 M END $$$$