KEGG:C06567  Penicilloic acid
  ISISHOST03240423152D 1   1.00000     0.00000  5634
 18 18  0     1  0            999 V2000
   -0.4241    0.5207    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.4241   -0.2586    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.2103    0.5207    0.0000 C   0  0  1  0  0  0           0  0  0
    0.2483    0.9172    0.0000 S   0  0  0  0  0  0           0  0  0
    0.9310   -0.2621    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.2138   -0.2931    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9966    0.5276    0.0000 N   0  0  0  0  0  0           0  0  0
    0.9345    0.5207    0.0000 C   0  0  3  0  0  0           0  0  0
    1.5069   -0.8448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5103   -0.7103    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9276   -0.6966    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.6759    0.9172    0.0000 R   0  0  0  0  0  0           0  0  0
    1.6828    0.3241    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4828    1.0793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2931   -1.6310    0.0000 O   0  0  0  0  0  0           0  0  0
    2.2966   -0.6345    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.4276    1.3069    0.0000 H   0  0  0  0  0  0           0  0  0
   -1.2138    1.3069    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  1     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  1     0  0
  4  8  1  0     0  0
  5  9  1  6     0  0
  6 10  1  0     0  0
  6 11  2  0     0  0
  7 12  1  0     0  0
  8 13  1  0     0  0
  8 14  1  0     0  0
  9 15  1  0     0  0
  9 16  2  0     0  0
  5  8  1  0     0  0
  1 17  1  6     0  0
  3 18  1  6     0  0
M  END