Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O 35 35 0 0 0 0 1 V2000 -4.8900 4.0800 0.0000 C 0 0 0 0 0 0 -5.3900 4.9700 0.0000 C 0 0 2 0 0 0 -4.5100 5.4700 0.0000 N 0 0 0 0 0 0 -3.6300 5.9700 0.0000 C 0 0 0 0 0 0 -4.1400 6.8500 0.0000 O 0 0 0 0 0 0 -2.6100 5.9700 0.0000 C 0 0 2 0 0 0 -2.6200 4.9500 0.0000 C 0 0 0 0 0 0 -1.5900 5.9700 0.0000 N 0 0 0 0 0 0 -0.7100 6.4700 0.0000 C 0 0 0 0 0 0 -0.7100 7.4800 0.0000 O 0 0 0 0 0 0 0.3100 6.4700 0.0000 C 0 0 2 0 0 0 0.3000 5.4500 0.0000 C 0 0 0 0 0 0 0.8000 4.5600 0.0000 C 0 0 0 0 0 0 0.7900 3.5500 0.0000 C 0 0 0 0 0 0 0.7800 2.5400 0.0000 C 0 0 0 0 0 0 0.7700 1.5300 0.0000 N 0 0 0 0 0 0 1.3300 6.4700 0.0000 N 0 0 0 0 0 0 2.2100 6.9700 0.0000 C 0 0 0 0 0 0 2.2100 7.9800 0.0000 O 0 0 0 0 0 0 3.2300 6.9700 0.0000 C 0 0 1 0 0 0 3.2200 5.9500 0.0000 N 0 0 0 0 0 0 4.2500 6.9700 0.0000 C 0 0 0 0 0 0 5.2700 6.9700 0.0000 C 0 0 0 0 0 0 5.7600 6.0800 0.0000 C 0 0 0 0 0 0 6.7700 6.0800 0.0000 C 0 0 0 0 0 0 7.2800 6.9600 0.0000 C 0 0 0 0 0 0 6.7800 7.8400 0.0000 C 0 0 0 0 0 0 5.7700 7.8400 0.0000 C 0 0 0 0 0 0 -6.2700 5.4800 0.0000 C 0 0 0 0 0 0 -7.2800 5.4800 0.0000 O 0 0 0 0 0 0 -6.2600 6.4900 0.0000 O 0 0 0 0 0 0 -4.4107 4.6978 0.0000 H 0 0 0 0 0 0 -1.8923 5.2452 0.0000 H 0 0 0 0 0 0 1.0277 5.7452 0.0000 H 0 0 0 0 0 0 3.9477 6.2452 0.0000 H 0 0 0 0 0 0 2 1 1 1 2 3 1 1 3 4 1 0 4 5 2 0 6 4 1 6 6 7 1 1 6 8 1 1 8 9 1 0 9 10 2 0 11 9 1 6 11 12 1 1 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 11 17 1 1 17 18 1 0 18 19 2 0 20 18 1 1 20 21 1 6 20 22 1 6 22 23 1 0 23 28 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 2 29 1 6 29 30 2 0 31 29 1 0 2 32 1 6 6 33 1 6 11 34 1 6 20 35 1 1 M END