BJH08V
  -OEChem-04042102053D

 21 22  0     0  0  0  0  0  0999 V2000
   -0.4370    1.1991   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4718   -0.6395    0.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455   -2.3178   -0.0033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1331    1.6284   -0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8772   -0.6384   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    0.7524    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4815   -1.0506   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358    0.1000   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892    1.5560    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884   -0.5045    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    0.8911    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    0.3099   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969   -2.3696   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9274    2.6377    0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2596   -0.9929    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384    1.4715    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3294   -3.1252   -0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368   -2.5387   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115    2.4308   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1303    1.8149    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

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