22

  C    1.217119800   0.000086352  -0.737292531
  C    2.232687859   0.000174717   0.216499979
  C    1.925210087   0.000130109   1.575499453
  C    0.592512132   0.000178132   1.981957864
  C   -0.433049194   0.000070250   1.038766795
  H    1.448302007  -0.000020318  -1.792785360
  H    3.264633432   0.000102432  -0.107052277
  H    2.717093974  -0.000023151   2.311239059
  H    0.345707498   0.000109507   3.034933333
  H   -1.468501456  -0.000093207   1.347574970
  C   -0.111081725  -0.000108736  -0.316810844
 Br   -1.493755973  -0.001747763  -1.606462802
  O   -3.785037609   0.000866982  -3.641619578
  C   -4.942504639   0.030472744  -3.262526217
  C   -5.268278522   0.030763181  -1.784860352
  C   -6.074813789   0.067570401  -4.266102134
  H   -5.949425709   0.944115224  -4.899332013
  H   -5.998004094  -0.807301293  -4.909325767
  H   -7.056301133   0.092128453  -3.803511947
  H   -6.334373655   0.058880289  -1.583055978
  H   -4.834292873  -0.858956293  -1.331613097
  H   -4.786131398   0.889881839  -1.321375004
