ChEBI


 21 20  0  0  1  0  0  0  0  0  1 V2000
   11.9950   -6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2846   -7.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7122   -7.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9950   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5708   -6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4295   -6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8501   -7.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1398   -7.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1398   -6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8570   -6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4226   -7.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1398   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5674   -7.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8570   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122   -6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2846   -6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9950   -7.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9984   -7.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812   -6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5674   -7.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  1  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END