KEGG:C10752  Aphylline
  ISISHOST03240423262D 1   1.00000     0.00000  9806
 20 23  0     0  0            999 V2000
    2.5500  -11.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5500  -12.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2662  -12.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2662  -11.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9782  -11.4792    0.0000 C   0  0  1  0  0  0           0  0  0
    3.9747  -12.3042    0.0000 N   0  0  3  0  0  0           0  0  0
    4.6874  -12.7197    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4036  -12.3103    0.0000 C   0  0  2  0  0  0           0  0  0
    5.4071  -11.4853    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6944  -11.0697    0.0000 C   0  0  2  0  0  0           0  0  0
    5.4042  -10.6500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9708  -10.6542    0.0000 H   0  0  0  0  0  0           0  0  0
    6.1208  -11.0542    0.0000 N   0  0  3  0  0  0           0  0  0
    6.1125  -11.8917    0.0000 C   0  0  1  0  0  0           0  0  0
    6.8336  -12.3176    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5631  -11.9061    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5714  -11.0686    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8503  -10.6426    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1083  -12.7167    0.0000 H   0  0  0  0  0  0           0  0  0
    4.6792  -13.5417    0.0000 O   0  0  0  0  0  0           0  0  0
 10  9  1  1     0  0
 10  5  1  0     0  0
 10 11  1  0     0  0
  8 14  1  0     0  0
 11 13  1  0     0  0
  1  2  1  0     0  0
  5 12  1  1     0  0
  2  3  1  0     0  0
  3  6  1  0     0  0
  5  4  1  0     0  0
  4  1  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 13  1  0     0  0
  7  8  1  0     0  0
 14 19  1  6     0  0
  8  9  1  1     0  0
  7 20  2  0     0  0
M  END