TDT2MOL Cc1ccnc2C(=O)C3N=CC=C4C3C(=Nc5ccccc45)c12 36 40 0 0 0 0 0 -2.2700 -2.2600 -0.2000 C 0 0 0 3 0 0 -2.8300 -0.8900 0.0200 C 0 0 0 0 0 0 -4.2200 -0.7000 0.0500 C 0 0 0 1 0 0 -4.7400 0.5900 0.2600 C 0 0 0 1 0 0 -3.8800 1.6800 0.4200 N 0 0 0 0 0 0 -2.5000 1.4900 0.3900 C 0 0 0 0 0 0 -1.5600 2.6500 0.5600 C 0 0 0 0 0 0 -1.9000 3.7000 1.1200 O 0 0 0 0 0 0 -0.1800 2.4400 0.0100 C 0 0 0 1 0 0 0.6900 3.5800 0.2100 N 0 0 0 0 0 0 1.9200 3.4300 0.1200 C 0 0 0 1 0 0 2.5500 2.0800 -0.0700 C 0 0 0 1 0 0 1.8000 0.9800 0.0900 C 0 0 0 0 0 0 0.3800 1.1700 0.5300 C 0 0 0 1 0 0 -0.4800 0.0000 0.1500 C 0 0 0 0 0 0 -0.0300 -1.1100 -0.1800 N 0 0 0 0 0 0 1.3200 -1.4200 -0.2400 C 0 0 0 0 0 0 1.7300 -2.7500 -0.4400 C 0 0 0 1 0 0 3.0900 -3.0600 -0.5000 C 0 0 0 1 0 0 4.0500 -2.0500 -0.3700 C 0 0 0 1 0 0 3.6500 -0.7200 -0.1800 C 0 0 0 1 0 0 2.2900 -0.4100 -0.1200 C 0 0 0 0 0 0 -1.9800 0.2000 0.1900 C 0 0 0 0 0 0 -1.7900 -2.6100 0.7300 H 0 0 0 0 0 0 -1.5200 -2.2300 -1.0000 H 0 0 0 0 0 0 -3.0800 -2.9500 -0.4700 H 0 0 0 0 0 0 -4.8900 -1.5500 -0.0800 H 0 0 0 0 0 0 -5.8300 0.7400 0.2800 H 0 0 0 0 0 0 -0.3000 2.3400 -1.1000 H 0 0 0 0 0 0 2.5800 4.3100 0.2400 H 0 0 0 0 0 0 3.6000 2.0000 -0.3700 H 0 0 0 0 0 0 0.4000 1.2100 1.6400 H 0 0 0 0 0 0 0.9800 -3.5400 -0.5400 H 0 0 0 0 0 0 3.4100 -4.1000 -0.6500 H 0 0 0 0 0 0 5.1200 -2.3000 -0.4200 H 0 0 0 0 0 0 4.4000 0.0700 -0.0800 H 0 0 0 0 0 0 1 2 1 0 2 23 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 23 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 14 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 22 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 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 15 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 3 1 0 28 4 1 0 29 9 1 0 30 11 1 0 31 12 1 0 32 14 1 0 33 18 1 0 34 19 1 0 35 20 1 0 36 21 1 0 M END $$$$