TDT2MOL Cn1cnccc1=O 14 14 0 0 0 0 0 -2.0300 -0.1900 0.2300 C 0 0 0 3 0 0 -0.6100 -0.0300 -0.0400 N 0 0 0 0 0 0 -0.1800 0.3100 -1.3300 C 0 0 0 1 0 0 1.1800 0.4700 -1.6000 N 0 0 0 0 0 0 2.1200 0.2800 -0.5800 C 0 0 0 1 0 0 1.6900 -0.0600 0.7100 C 0 0 0 1 0 0 0.3300 -0.2100 0.9800 C 0 0 0 0 0 0 -0.0500 -0.5200 2.1300 O 0 0 0 0 0 0 -2.4100 -1.0500 -0.3300 H 0 0 0 0 0 0 -2.5700 0.7200 -0.0700 H 0 0 0 0 0 0 -2.1700 -0.3700 1.3100 H 0 0 0 0 0 0 -0.9200 0.4500 -2.1400 H 0 0 0 0 0 0 3.1900 0.4100 -0.7900 H 0 0 0 0 0 0 2.4300 -0.2000 1.5200 H 0 0 0 0 0 0 1 2 1 0 2 7 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 9 1 1 0 10 1 1 0 11 1 1 0 12 3 1 0 13 5 1 0 14 6 1 0 M END $$$$