ChEBI


 13 13  0  0  1  0  0  0  0  0  1 V2000
   12.6158  -14.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6925  -13.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0258  -15.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7678  -14.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3558  -15.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0331  -14.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1367  -16.9114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2432  -16.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3513  -14.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3622  -15.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0758  -12.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0976  -14.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6027  -15.3647    0.0000 H   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  6  0  0  0
  3  8  1  1  0  0  0
  1  9  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  1  0  0  0
 12 10  1  0  0  0  0
  1 13  1  6  0  0  0
M  END