KEGG:C08263  beta-Alaninebetaine
  ISISHOST03240423192D 1   1.00000     0.00000  7306
  9  8  0     0  0            999 V2000
    0.8759   -0.1345    0.0000 N   0  3  3  0  0  0           0  0  0
    0.1586    0.2759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8724   -0.9621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5931    0.2828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5931   -0.5517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5586   -0.1379    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2759    0.2724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2690    1.1000    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9862   -0.1448    0.0000 O   0  5  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  7  9  1  0     0  0
M  CHG  2   1   1   9  -1
M  END