KEGG:C01104  Trimethylamine N-oxide
  ISISHOST03240423032D 1   1.00000     0.00000  1040
  5  4  0     0  0            999 V2000
    0.0483    0.0000    0.0000 N   0  3  3  0  0  0           0  0  0
   -0.4690    0.3000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5483   -0.5552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0483    0.8414    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9207   -0.5828    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
M  CHG  2   1   1   5  -1
M  END