TDT2MOL CCCCCCNC(C(N)c1ccccc1)c2ccccc2 50 51 0 0 0 0 0 -5.4800 0.2300 0.8200 C 0 0 0 3 0 0 -4.8800 0.2700 -0.5500 C 0 0 0 2 0 0 -3.3800 0.3200 -0.4600 C 0 0 0 2 0 0 -2.8500 -0.9000 0.2300 C 0 0 0 2 0 0 -1.3500 -0.9100 0.2100 C 0 0 0 2 0 0 -0.8000 0.2800 0.9300 C 0 0 0 2 0 0 0.6400 0.2300 0.9900 N 0 0 0 1 0 0 1.2300 0.0300 -0.3000 C 0 0 0 1 0 0 2.7300 0.2000 -0.2400 C 0 0 0 1 0 0 3.2800 -0.7400 0.7100 N 0 0 0 2 0 0 3.0500 1.6000 0.1900 C 0 0 0 0 0 0 2.5500 2.6900 -0.5400 C 0 0 0 1 0 0 2.8500 4.0000 -0.1400 C 0 0 0 1 0 0 3.6500 4.2200 0.9900 C 0 0 0 1 0 0 4.1500 3.1300 1.7200 C 0 0 0 1 0 0 3.8500 1.8200 1.3200 C 0 0 0 1 0 0 0.9300 -1.3700 -0.7700 C 0 0 0 0 0 0 0.7200 -1.6300 -2.1300 C 0 0 0 1 0 0 0.4400 -2.9300 -2.5600 C 0 0 0 1 0 0 0.3700 -3.9700 -1.6200 C 0 0 0 1 0 0 0.5700 -3.7200 -0.2600 C 0 0 0 1 0 0 0.8600 -2.4100 0.1700 C 0 0 0 1 0 0 -5.1400 1.1000 1.4000 H 0 0 0 0 0 0 -5.1600 -0.6900 1.3400 H 0 0 0 0 0 0 -6.5800 0.2400 0.7500 H 0 0 0 0 0 0 -5.1800 -0.6200 -1.1100 H 0 0 0 0 0 0 -5.2400 1.1700 -1.0800 H 0 0 0 0 0 0 -3.0800 1.2200 0.1000 H 0 0 0 0 0 0 -2.9600 0.3800 -1.4800 H 0 0 0 0 0 0 -3.2300 -1.8000 -0.2800 H 0 0 0 0 0 0 -3.1900 -0.9200 1.2800 H 0 0 0 0 0 0 -1.0100 -0.9000 -0.8400 H 0 0 0 0 0 0 -0.9800 -1.8300 0.6900 H 0 0 0 0 0 0 -1.2000 0.3000 1.9600 H 0 0 0 0 0 0 -1.1200 1.2000 0.4100 H 0 0 0 0 0 0 0.9900 1.0400 1.4500 H 0 0 0 0 0 0 0.8200 0.7400 -1.0400 H 0 0 0 0 0 0 3.1600 0.0200 -1.2400 H 0 0 0 0 0 0 3.0600 -1.6700 0.4300 H 0 0 0 0 0 0 2.8900 -0.5700 1.6200 H 0 0 0 0 0 0 1.9200 2.5200 -1.4200 H 0 0 0 0 0 0 2.4500 4.8500 -0.7100 H 0 0 0 0 0 0 3.8800 5.2400 1.3100 H 0 0 0 0 0 0 4.7800 3.3000 2.6000 H 0 0 0 0 0 0 4.2400 0.9700 1.8900 H 0 0 0 0 0 0 0.7800 -0.8100 -2.8600 H 0 0 0 0 0 0 0.2800 -3.1300 -3.6200 H 0 0 0 0 0 0 0.1400 -5.0000 -1.9600 H 0 0 0 0 0 0 0.5200 -4.5400 0.4700 H 0 0 0 0 0 0 1.0200 -2.2100 1.2300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 8 17 1 0 17 22 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 23 1 1 0 24 1 1 0 25 1 1 0 26 2 1 0 27 2 1 0 28 3 1 0 29 3 1 0 30 4 1 0 31 4 1 0 32 5 1 0 33 5 1 0 34 6 1 0 35 6 1 0 36 7 1 0 37 8 1 0 38 9 1 0 39 10 1 0 40 10 1 0 41 12 1 0 42 13 1 0 43 14 1 0 44 15 1 0 45 16 1 0 46 18 1 0 47 19 1 0 48 20 1 0 49 21 1 0 50 22 1 0 M END $$$$