B82ERW
  -OEChem-04012112533D

 20 20  0     1  0  0  0  0  0999 V2000
   -2.0159    1.9550   -0.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6783   -1.4801   -1.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2339   -0.8110    0.4456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8954    0.6261   -0.1203 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    1.7979    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8894   -0.2432   -0.3645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4947   -1.4297    0.0842 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3919    0.7256    0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    0.7178   -0.2314 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8743    0.0023    0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413   -0.5764   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412   -1.2842    0.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1242    1.7568    1.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865    0.2645    1.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124    0.8710   -1.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -2.1149    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.7222    0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300    2.6952   -0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2535    1.8532   -1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1662   -2.3311   -1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 12 16  1  0  0  0  0
M  END

$$$$