TDT2MOL BrCc1ccc2ccccc2n1 20 21 0 0 0 0 0 3.8100 1.6000 -0.9500 Br 0 0 0 0 0 0 3.4200 0.0300 0.0400 C 0 0 0 2 0 0 1.9300 -0.1800 0.0700 C 0 0 0 0 0 0 1.4100 -1.4600 0.3400 C 0 0 0 1 0 0 0.0300 -1.6600 0.3700 C 0 0 0 1 0 0 -0.8400 -0.5800 0.1300 C 0 0 0 0 0 0 -2.2200 -0.7900 0.1600 C 0 0 0 1 0 0 -3.0900 0.2900 -0.0800 C 0 0 0 1 0 0 -2.5700 1.5600 -0.3400 C 0 0 0 1 0 0 -1.1900 1.7600 -0.3700 C 0 0 0 1 0 0 -0.3200 0.6900 -0.1400 C 0 0 0 0 0 0 1.0700 0.8900 -0.1700 N 0 0 0 0 0 0 3.7900 0.1400 1.0700 H 0 0 0 0 0 0 3.9000 -0.8400 -0.4400 H 0 0 0 0 0 0 2.1000 -2.3000 0.5300 H 0 0 0 0 0 0 -0.3800 -2.6600 0.5800 H 0 0 0 0 0 0 -2.6300 -1.7900 0.3700 H 0 0 0 0 0 0 -4.1800 0.1300 -0.0500 H 0 0 0 0 0 0 -3.2600 2.4000 -0.5300 H 0 0 0 0 0 0 -0.7800 2.7600 -0.5800 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 12 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 13 2 1 0 14 2 1 0 15 4 1 0 16 5 1 0 17 7 1 0 18 8 1 0 19 9 1 0 20 10 1 0 M END $$$$