KEGG:C00804  Propynoate
  ISISHOST03240423032D 1   1.00000     0.00000   763
  5  4  0     0  0            999 V2000
    0.2586    0.1483    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3897   -0.2241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9103   -0.2241    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2586    0.9000    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0379   -0.6000    0.0000 C   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  3  0     0  0
M  END