BU78IN
  -OEChem-04022101383D

 19 19  0     0  0  0  0  0  0999 V2000
   -3.2145   -1.2506    0.0004 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2133    0.6283    1.0838 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1918    0.6303   -1.0907 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784    3.5091    0.0004 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9742   -3.5104    0.0003 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8824    2.4079    0.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8795   -2.4115   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6284    2.4365    0.0006 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6256   -2.4388    0.0002 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1753    0.0005    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785   -1.2078    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4771    1.2081    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177    1.2073    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9164   -1.2086    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6144   -0.0010    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0007    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381   -2.1400    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0452    2.1357    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020   -0.0016    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 19  1  0  0  0  0
M  CHG  4   4  -1   5  -1   8   1   9   1
M  END

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