TDT2MOL Cn1cncc(N(=O)=O)c1=O 16 16 0 0 0 0 0 -2.0700 1.2600 -0.0200 C 0 0 0 3 0 0 -1.0300 0.2600 -0.0200 N 0 0 0 0 0 0 -1.3700 -1.1000 -0.0500 C 0 0 0 1 0 0 -0.3700 -2.0800 -0.0500 N 0 0 0 0 0 0 0.9800 -1.6900 -0.0100 C 0 0 0 1 0 0 1.3200 -0.3400 0.0200 C 0 0 0 0 0 0 2.6700 0.0500 0.0600 N 0 0 0 0 0 0 3.6000 -0.8500 0.0600 O 0 0 0 0 0 0 2.9800 1.3100 0.0900 O 0 0 0 0 0 0 0.3200 0.6400 0.0200 C 0 0 0 0 0 0 0.6200 1.8500 0.0500 O 0 0 0 0 0 0 -2.5900 1.2500 -0.9900 H 0 0 0 0 0 0 -1.6200 2.2600 0.1400 H 0 0 0 0 0 0 -2.7900 1.0500 0.7900 H 0 0 0 0 0 0 -2.4300 -1.4000 -0.0800 H 0 0 0 0 0 0 1.7700 -2.4600 -0.0100 H 0 0 0 0 0 0 1 2 1 0 2 10 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 2 0 6 10 1 0 10 11 2 0 12 1 1 0 13 1 1 0 14 1 1 0 15 3 1 0 16 5 1 0 M END $$$$