ChEBI
  Mrv0541 06051416322D          

 20 22  0  0  0  0            999 V2000
   -0.6430    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6430   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3575    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3575   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0720    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0720   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3575   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864    0.6188    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7864   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2149    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2149    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1  14  -1
M  END