KEGG:C01588  Ibuprofen
  ISISHOST03240423042D 1   1.00000     0.00000  1455
 15 15  0     0  0            999 V2000
    0.6310   -0.0379    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3793   -0.0379    0.0000 C   0  0  3  0  0  0           0  0  0
    0.2552   -0.6966    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2586    0.6172    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7552   -0.6862    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7552    0.6103    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4966   -0.7000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5034    0.6103    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3793   -1.3345    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5069   -0.6862    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8793   -0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6310   -0.0517    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0103    0.5966    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.7586    0.5897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6379    1.2483    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  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
  8 11  2  0     0  0
M  END