KEGG:C07130  Theophylline
  ISISHOST03240423162D 1   1.00000     0.00000  6181
 13 14  0     0  0            999 V2000
   -0.5586    0.4207    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5586   -0.4207    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1517    0.8379    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3276    0.6759    0.0000 N   0  0  0  0  0  0           0  0  0
    0.1517   -0.8241    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.3276   -0.6759    0.0000 N   0  0  0  0  0  0           0  0  0
    0.8724    0.4034    0.0000 N   0  0  3  0  0  0           0  0  0
    0.1517    1.6517    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8103   -0.0069    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8724   -0.3897    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1517   -1.6690    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6103    0.8034    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6103   -0.8034    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  2  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  7 12  1  0     0  0
 10 13  2  0     0  0
  6  9  2  0     0  0
  7 10  1  0     0  0
M  END