DR2100
  -OEChem-05042003313D

 17 17  0     0  0  0  0  0  0999 V2000
    1.8947   -0.3487   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0511   -2.3337    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5722   -0.0221   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4043   -1.0183   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1977    1.3216    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -0.6705   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1531    1.6693    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1295    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    2.1480    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5209   -1.4416   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    2.7152    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1813    0.9439    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478    1.3330    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479    1.3336   -0.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8306    0.2874   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203   -2.3895    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$