Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL CC(=O)NCCc1c[nH]c2ccc(O)cc12 16 17 0 0 0 0 1 V2000 3.0550 1.5300 0.0000 C 0 0 0 0 0 0 3.0550 2.5400 0.0000 C 0 0 0 0 0 0 3.9350 3.0400 0.0000 O 0 0 0 0 0 0 2.1750 3.0500 0.0000 N 0 0 0 0 0 0 1.2950 3.5600 0.0000 C 0 0 0 0 0 0 0.4150 4.0700 0.0000 C 0 0 0 0 0 0 -0.4650 4.5800 0.0000 C 0 0 0 0 0 0 -0.0150 5.4600 0.0000 C 0 0 0 0 0 0 -0.7750 6.1400 0.0000 N 0 0 0 0 0 0 -1.6550 5.6400 0.0000 C 0 0 0 0 0 0 -2.6250 5.9600 0.0000 C 0 0 0 0 0 0 -3.3850 5.2900 0.0000 C 0 0 0 0 0 0 -3.1850 4.3100 0.0000 C 0 0 0 0 0 0 -3.9350 3.6200 0.0000 O 0 0 0 0 0 0 -2.2250 4.0000 0.0000 C 0 0 0 0 0 0 -1.4750 4.6800 0.0000 C 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 16 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 16 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 M END