KEGG:C10327  Digiferrugineol
  ISISHOST03240423252D 1   1.00000     0.00000  9369
 19 21  0     0  0            999 V2000
    0.3034    0.2655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2966   -0.5621    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4138    0.6793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0241    0.6690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4207   -0.9793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0103   -0.9828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1310    0.2724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4103    1.5103    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7379    0.2517    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0310    1.5000    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1345   -0.5586    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4207   -1.8069    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7310   -0.5759    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8483    0.6828    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4552    0.6586    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8483   -0.9759    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5690    0.2724    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1724    0.2379    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5690   -0.5586    0.0000 C   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
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  2  6  1  0     0  0
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  3  8  2  0     0  0
  4  9  2  0     0  0
  4 10  1  0     0  0
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  5 12  2  0     0  0
  6 13  2  0     0  0
  7 14  1  0     0  0
  9 15  1  0     0  0
 11 16  1  0     0  0
 14 17  2  0     0  0
 15 18  1  0     0  0
 16 19  2  0     0  0
  7 11  2  0     0  0
  9 13  1  0     0  0
 17 19  1  0     0  0
M  END