B3WU8B
  -OEChem-04022117273D

 21 21  0     0  0  0  0  0  0999 V2000
    5.0884   -0.4743    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3795    0.5399    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4023   -2.0929   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5981    2.3128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074    0.2829    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    1.3435   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727   -1.0320    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847    1.0890   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8443   -1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7503   -0.2259   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009   -0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7258   -0.1228    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6491   -1.2100   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056    1.2206    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5641    2.3729   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8215   -1.8984    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803    1.9240   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018   -2.3128    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.5222    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943   -1.3840   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5661    0.3730    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 13  3  0  0  0  0
  4 14  3  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END

$$$$