TDT2MOL Fc1ccc(N=C=O)cc1 14 14 0 0 0 0 0 -3.2800 -0.3400 -0.3600 F 0 0 0 0 0 0 -1.9600 -0.1900 -0.1300 C 0 0 0 0 0 0 -1.0400 -0.3400 -1.1800 C 0 0 0 1 0 0 0.3300 -0.1800 -0.9400 C 0 0 0 1 0 0 0.7800 0.1400 0.3500 C 0 0 0 0 0 0 2.1500 0.3000 0.5900 N 0 0 0 0 0 0 2.9800 0.1700 -0.3400 C 0 0 0 0 0 0 4.0400 0.1100 -1.0100 O 0 0 0 0 0 0 -0.1300 0.2900 1.4000 C 0 0 0 1 0 0 -1.5000 0.1300 1.1600 C 0 0 0 1 0 0 -1.4000 -0.5900 -2.1900 H 0 0 0 0 0 0 1.0500 -0.2900 -1.7600 H 0 0 0 0 0 0 0.2200 0.5400 2.4100 H 0 0 0 0 0 0 -2.2200 0.2500 1.9800 H 0 0 0 0 0 0 1 2 1 0 2 10 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 2 0 5 9 1 0 9 10 2 0 11 3 1 0 12 4 1 0 13 9 1 0 14 10 1 0 M END $$$$