B80TXL
  -OEChem-04012112303D

 19 20  0     0  0  0  0  0  0999 V2000
   -2.5241    0.0555   -1.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256   -0.0551    1.1652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1023   -2.3730   -0.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    2.3729    0.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7435    0.0000   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809   -0.6956   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5810    0.6954    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943   -1.1959   -0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    1.1958    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563   -1.4215   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    1.4214    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9558   -0.7041   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559    0.7041    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595   -2.5055   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    2.5054    0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -1.2383   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025    1.2383    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6204   -0.8459   -1.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7158   -0.9866    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END

$$$$