KEGG:C00758  Bergaptol
  ISISHOST03240423022D 1   1.00000     0.00000   721
 15 17  0     0  0            999 V2000
    0.3448    0.3310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3448   -0.4276    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3138    0.7034    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0035    0.7138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3138   -0.8138    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0069   -0.8103    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9621    0.3310    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3138    1.4552    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6655    0.3345    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9621   -0.4276    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6690   -0.4310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6828    0.5586    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6828   -0.6621    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3207   -0.8069    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.1241   -0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  7 12  1  0     0  0
 10 13  1  0     0  0
 11 14  2  0     0  0
 12 15  2  0     0  0
  7 10  2  0     0  0
  9 11  1  0     0  0
 13 15  1  0     0  0
M  END