BD7K6U
  -OEChem-04012114383D

 21 22  0     0  0  0  0  0  0999 V2000
    3.3032   -0.0902   -0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0853   -0.8200    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3041   -0.4666    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    0.8912   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    1.9128    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246   -1.4311    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0949    0.1477    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123    1.2683   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660    1.5700    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573   -2.2320   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684   -1.0489    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0123    0.2988   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0870    2.9580    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1065   -2.4952    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2971    2.3179   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    2.3275    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -2.7135    0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439   -2.3574   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0623   -2.7131   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4464   -1.8071    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0572    0.5943   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END

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