85
 OpenBabel09292113272D

 23 24  0  0  1  0  0  0  0  0999 V2000
    3.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9706    2.4945    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2274    3.1637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487    2.7024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3554    3.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4487    1.8364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4432    1.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796    1.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5 21  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
