KEGG:C05340  beta-Alanyl-L-arginine
  ISISHOST03240423122D 1   1.00000     0.00000  4527
 17 16  0     1  0            999 V2000
   -0.5276    0.0483    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.5276   -0.9621    0.0000 N   0  0  0  0  0  0           0  0  0
    0.4724   -0.9552    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5379    1.4690    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5276    0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4655    0.0517    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5414    2.4724    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6931    2.1862    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.5276   -0.9655    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5345    1.4655    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4724   -0.9483    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.5276    0.0345    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4655    0.0552    0.0000 N   0  0  0  0  0  0           0  0  0
   -5.7138   -0.7517    0.0000 N   0  0  0  0  0  0           0  0  0
    4.4724   -0.9448    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4655    0.0586    0.0000 N   0  0  0  0  0  0           0  0  0
    4.4655   -2.3621    0.0000 N   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  6     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  6 11  1  0     0  0
  9 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
M  END