Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL CC(=CCNc1ncnc2n(CC(N)C(=O)O)cnc12)C 21 22 0 0 0 0 1 V2000 5.1100 1.5300 0.0000 C 0 0 0 0 0 0 4.8500 2.5100 0.0000 C 0 0 0 0 0 0 3.8700 2.7700 0.0000 C 0 0 0 0 0 0 2.8900 3.0300 0.0000 C 0 0 0 0 0 0 1.9100 3.2900 0.0000 N 0 0 0 0 0 0 0.9300 3.5500 0.0000 C 0 0 0 0 0 0 1.2300 4.4700 0.0000 N 0 0 0 0 0 0 0.5100 5.1900 0.0000 C 0 0 0 0 0 0 -0.4700 4.9300 0.0000 N 0 0 0 0 0 0 -0.7400 3.9600 0.0000 C 0 0 0 0 0 0 -1.6400 3.5100 0.0000 N 0 0 0 0 0 0 -2.6500 3.4500 0.0000 C 0 0 0 0 0 0 -3.6600 3.3900 0.0000 C 0 0 0 0 0 0 -4.1200 2.4800 0.0000 N 0 0 0 0 0 0 -4.5600 3.8500 0.0000 C 0 0 0 0 0 0 -5.5700 3.7900 0.0000 O 0 0 0 0 0 0 -4.6100 4.8600 0.0000 O 0 0 0 0 0 0 -1.4900 2.5200 0.0000 C 0 0 0 0 0 0 -0.5000 2.3700 0.0000 N 0 0 0 0 0 0 -0.0400 3.2800 0.0000 C 0 0 0 0 0 0 5.5700 3.2300 0.0000 C 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 20 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 20 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 11 18 1 0 18 19 2 0 19 20 1 0 2 21 1 0 M END