BEP87N
  -OEChem-04042104453D

 44 47  0     1  0  0  0  0  0999 V2000
   -0.5094    2.5556    0.8475 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0713   -1.4385   -0.7200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867   -1.2083    2.3492 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4715   -2.6864    0.7723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612    1.1651    0.2088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4319   -0.8497   -0.2521 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4225   -1.5014    1.1777 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.6849   -0.0410   -0.5363 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1641   -0.3695   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2890    2.1420    0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164   -1.2217   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4413    1.4697    1.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0017    0.3472    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091    1.4864    0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0639    0.4066   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7198   -1.3975   -1.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3538   -0.0034    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0704   -1.7291   -1.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8853   -1.0368   -0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    0.7442   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3686   -0.2746   -0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.1490   -0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7596   -0.4527    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    1.1752   -1.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862   -0.0283    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717    1.5998   -1.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4424    0.9980   -0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4851    0.1919   -1.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6281    2.6053   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8674    2.9362    1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057   -1.4758    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168   -2.1192   -0.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2161    2.2169    1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0995    1.0598    2.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2233   -1.5843   -0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1006   -1.9507   -1.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0020    0.5337    1.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4844   -2.5299   -1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9354   -1.2981   -0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145    1.7478    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4036    1.6508   -2.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540   -0.4878    0.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7494    2.3977   -2.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4754    1.3283   -0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 21  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 35  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  2  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$