KEGG:C01594  Linamarin
  ISISHOST03240423042D 1   1.00000     0.00000  1461
 17 17  0     1  0            999 V2000
    0.1138    0.3103    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.5414    0.6862    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1138   -0.4379    0.0000 C   0  0  1  0  0  0           0  0  0
    0.7621    0.6862    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1931    0.3103    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.5414   -0.8138    0.0000 C   0  0  2  0  0  0           0  0  0
    0.7621   -0.8138    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5138    0.6862    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.1931   -0.4379    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.8345    0.6862    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5414   -1.5621    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5207   -0.0345    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5138    1.4379    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2621    0.6862    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8345   -0.8138    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4103    0.2034    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5276   -0.7828    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  1     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  6     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  1  1     0  0
  6 11  1  1     0  0
  8 12  1  0     0  0
  8 13  1  0     0  0
  8 14  1  0     0  0
  9 15  1  6     0  0
 10 16  1  0     0  0
 12 17  3  0     0  0
  6  9  1  0     0  0
M  END