Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL CNCCc1c[nH]c2ccccc12 13 14 0 0 0 0 1 V2000 3.4850 3.1100 0.0000 C 0 0 0 0 0 0 2.4650 3.1100 0.0000 N 0 0 0 0 0 0 1.4450 3.1100 0.0000 C 0 0 0 0 0 0 0.4250 3.1100 0.0000 C 0 0 0 0 0 0 -0.5950 3.1100 0.0000 C 0 0 0 0 0 0 -0.6750 4.1100 0.0000 C 0 0 0 0 0 0 -1.6650 4.3200 0.0000 N 0 0 0 0 0 0 -2.1750 3.4500 0.0000 C 0 0 0 0 0 0 -3.1650 3.2500 0.0000 C 0 0 0 0 0 0 -3.4850 2.2900 0.0000 C 0 0 0 0 0 0 -2.8150 1.5300 0.0000 C 0 0 0 0 0 0 -1.8350 1.7300 0.0000 C 0 0 0 0 0 0 -1.5250 2.6900 0.0000 C 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 13 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 13 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 M END