KEGG:C08578  Butein
  ISISHOST03240423202D 1   1.00000     0.00000  7618
 20 21  0     0  0            999 V2000
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   -1.1448    0.0828    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5828   -0.7483    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.2862   -0.7448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4276   -1.9897    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8621    0.4966    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5828    0.0828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2862    0.0828    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3000    0.5000    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0035    0.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7172    0.0828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0000    1.3276    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4379    0.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7172    1.7414    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4379    1.3276    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1552    0.0828    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1552    1.7414    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
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  3  8  2  0     0  0
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 16 18  2  0     0  0
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  9 10  1  0     0  0
 17 18  1  0     0  0
M  END