KEGG:C09896  Rotundifolone
  ISISHOST03240423242D 1   1.00000     0.00000  8938
 13 14  0     1  0            999 V2000
    0.5345    0.7276    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.1793    1.1379    0.0000 C   0  0  1  0  0  0           0  0  0
    0.5345    1.5552    0.0000 O   0  0  0  0  0  0           0  0  0
    0.5379   -0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8966    0.7276    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1862    1.9690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1793   -0.5207    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2586   -0.5172    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8966   -0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1759   -1.3483    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8931   -1.7621    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5414   -1.7621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2517    1.1483    0.0000 H   0  0  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
  2  5  1  0     0  0
  2  6  1  1     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  7 10  2  0     0  0
 10 11  1  0     0  0
 10 12  1  0     0  0
  2  3  1  0     0  0
  7  9  1  0     0  0
  1 13  1  1     0  0
M  END