85
 OpenBabel09292113333D

 39 40  0  0  1  0  0  0  0  0999 V2000
    3.9633   -0.6376   -1.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426   -0.8226   -0.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4219   -0.9752    1.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -1.3198    2.1054 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6600   -0.7822    3.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3716    0.6351    3.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348    1.3519    2.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7137    1.0878    4.9857 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3889    0.3773    5.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    0.9209    6.9941 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -0.9411    5.6145 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3849   -1.7326    6.6179 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4532   -2.5209    7.5503 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9402   -1.7748    8.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800   -3.6331    8.0140 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1979   -3.1301    9.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2054   -3.9318    6.7648 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5908   -5.0332    5.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837   -5.2414    4.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2421   -2.7092    5.9833 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884   -1.4925    4.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.9325    1.7603 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113   -0.9375    1.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4843   -0.5558   -2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374   -1.5003   -1.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    0.2837   -0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2657   -2.4163    2.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5174    2.0523    5.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0346   -1.0702    7.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6086   -2.9358    6.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355   -1.7758    9.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8405   -4.4990    8.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930   -2.7009    8.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2446   -4.1828    7.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839   -4.7700    5.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5428   -5.9789    6.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5701   -4.3612    4.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506   -2.5306    4.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9461    0.0483    1.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  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
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  2  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
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 12 29  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  6  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  1  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  1  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
