KEGG:C05729  R-S-Alanylglycine
  ISISHOST03240423132D 1   1.00000     0.00000  4849
 12 11  0     0  0            999 V2000
   -0.9000   -1.1379    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9000   -0.1379    0.0000 C   0  0  3  0  0  0           0  0  0
    0.1000   -0.1345    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.9034   -2.5552    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9035    1.2793    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.9000   -1.1414    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1000   -1.1345    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6793    1.9897    0.0000 S   0  0  0  0  0  0           0  0  0
    2.1000   -0.1310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6862    2.3586    0.0000 R   0  0  0  0  0  0           0  0  0
    3.4690   -0.4931    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7310    1.2379    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  5  8  1  0     0  0
  7  9  1  0     0  0
  8 10  1  0     0  0
  9 11  1  0     0  0
  9 12  2  0     0  0
M  END