B5I7XB
  -OEChem-04022106303D

 16 16  0     0  0  0  0  0  0999 V2000
    2.6588   -1.2144    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8616    1.0495    0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3807   -1.2013    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4567   -0.0323    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6880    0.0499   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0253    1.2433   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156    1.2159    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0398   -0.0210    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0305   -1.1349   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403    0.0451   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4845    2.2029   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9789    2.1435    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -2.1104   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9087   -0.9383   -0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9449    0.7501   -0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397   -1.2050    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END

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