BK9FA1
  -OEChem-04012113262D

 40 42  0     0  0  0  0  0  0999 V2000
    2.9945    2.7172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1537    2.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634    3.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1646    2.6126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    1.9081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    0.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    0.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524    3.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5714    1.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7469    3.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5659    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9233    4.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1952    3.6934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9698    1.5491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6146    1.0806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3485    3.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7037    3.9356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3950    0.9986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1231    1.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4623   -3.6307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -4.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7023   -3.6307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    3.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    1.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$