TDT2MOL Cc1cc(CO)c(CO)cn1 22 22 0 0 0 0 0 3.2800 -0.8400 0.2200 C 0 0 0 3 0 0 1.7800 -0.7300 0.1700 C 0 0 0 0 0 0 1.1900 0.5400 0.1600 C 0 0 0 1 0 0 -0.2100 0.6600 0.1100 C 0 0 0 0 0 0 -0.8500 2.0100 0.1000 C 0 0 0 2 0 0 -0.5400 2.6500 -1.0400 O 0 0 0 1 0 0 -1.0000 -0.5000 0.0700 C 0 0 0 0 0 0 -2.5000 -0.3800 0.0200 C 0 0 0 2 0 0 -3.0400 -1.5900 -0.1900 O 0 0 0 1 0 0 -0.4100 -1.7600 0.0800 C 0 0 0 1 0 0 0.9900 -1.8800 0.1300 N 0 0 0 0 0 0 3.7300 -0.0200 -0.3500 H 0 0 0 0 0 0 3.6100 -0.7900 1.2700 H 0 0 0 0 0 0 3.5900 -1.8100 -0.2100 H 0 0 0 0 0 0 1.8100 1.4400 0.1900 H 0 0 0 0 0 0 -1.9400 1.9000 0.1800 H 0 0 0 0 0 0 -0.4800 2.5900 0.9600 H 0 0 0 0 0 0 0.4000 2.7700 -1.1000 H 0 0 0 0 0 0 -2.7800 0.3000 -0.8000 H 0 0 0 0 0 0 -2.8700 0.0300 0.9700 H 0 0 0 0 0 0 -2.7300 -1.9500 -1.0100 H 0 0 0 0 0 0 -1.0300 -2.6700 0.0500 H 0 0 0 0 0 0 1 2 1 0 2 11 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 7 8 1 0 8 9 1 0 7 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 17 5 1 0 18 6 1 0 19 8 1 0 20 8 1 0 21 9 1 0 22 10 1 0 M END $$$$