Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL N[C@@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)O 21 22 0 0 0 0 1 V2000 0.1150 5.0600 0.0000 N 0 0 0 0 0 0 -0.1550 4.0800 0.0000 C 0 0 1 0 0 0 0.8250 3.8200 0.0000 C 0 0 0 0 0 0 1.8050 3.5600 0.0000 C 0 0 0 0 0 0 2.0450 2.5900 0.0000 C 0 0 0 0 0 0 3.0250 2.3200 0.0000 C 0 0 0 0 0 0 3.7450 3.0300 0.0000 C 0 0 0 0 0 0 3.4850 4.0000 0.0000 C 0 0 0 0 0 0 2.5150 4.2700 0.0000 C 0 0 0 0 0 0 -1.1350 4.3400 0.0000 C 0 0 0 0 0 0 -1.3950 5.3200 0.0000 O 0 0 0 0 0 0 -2.1150 4.0700 0.0000 N 0 0 0 0 0 0 -2.4550 5.0100 0.0000 C 0 0 0 0 0 0 -3.4650 4.9600 0.0000 C 0 0 0 0 0 0 -3.7350 3.9900 0.0000 C 0 0 0 0 0 0 -2.8950 3.4400 0.0000 C 0 0 1 0 0 0 -2.8350 2.4300 0.0000 C 0 0 0 0 0 0 -1.9250 1.9700 0.0000 O 0 0 0 0 0 0 -3.2950 1.5300 0.0000 O 0 0 0 0 0 0 0.7254 4.5856 0.0000 H 0 0 0 0 0 0 -1.9737 3.0330 0.0000 H 0 0 0 0 0 0 2 1 1 1 2 3 1 1 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 6 10 11 2 0 10 12 1 0 16 12 1 6 12 13 1 0 13 14 1 0 14 15 1 0 16 15 1 1 16 17 1 6 17 18 2 0 17 19 1 0 2 20 1 6 16 21 1 1 M END