TDT2MOL Brc1cncnc1 10 10 0 0 0 0 0 2.9000 -0.6600 -0.0800 Br 0 0 0 0 0 0 1.0400 -0.2400 -0.0300 C 0 0 0 0 0 0 0.0900 -1.2500 -0.1700 C 0 0 0 1 0 0 -1.2700 -0.9400 -0.1300 N 0 0 0 0 0 0 -1.6900 0.3800 0.0400 C 0 0 0 1 0 0 -0.7300 1.4000 0.1800 N 0 0 0 0 0 0 0.6300 1.0900 0.1500 C 0 0 0 1 0 0 0.4200 -2.3000 -0.3000 H 0 0 0 0 0 0 -2.7600 0.6300 0.0700 H 0 0 0 0 0 0 1.3800 1.8900 0.2600 H 0 0 0 0 0 0 1 2 1 0 2 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 8 3 1 0 9 5 1 0 10 7 1 0 M END $$$$