BKIB07
  -OEChem-04012113573D

 17 17  0     0  0  0  0  0  0999 V2000
   -3.6840    0.4027   -0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003    2.0393    1.0976 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3984    2.0401   -1.0977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2364   -1.3626   -1.0984 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2371   -1.3637    1.0969 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731    1.6114    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6604   -1.1814   -0.0005 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0308    0.6018    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3028   -0.7526    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3705    0.9901    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -1.7187    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766    0.0240    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0431   -1.3304    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332    2.0459    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4594   -2.7783   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225   -2.0875    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7312    1.3742   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  4   2  -1   4  -1   6   1   7   1
M  END

$$$$