BG3IN1
  -OEChem-04022101393D

 19 19  0     0  0  0  0  0  0999 V2000
    2.1228   -0.0020   -0.1203 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520   -1.2641   -0.7060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    1.2550   -0.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7712    0.0031    0.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776   -0.0007   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186    1.2079   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204   -1.2080   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6184    0.0044    1.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7128    1.2092   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7146   -1.2068    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4108    0.0019    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051    2.1596   -0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011   -2.1609   -0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259   -0.8903    2.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7098   -0.0008    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342    0.9074    2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496    2.1538    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2467   -2.1541    0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0868   -0.9168    0.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
M  END

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