File: github87.2.mol

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  Mrv0541 08211308142D          

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   -1.3627    3.0938    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6482    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3627    2.2688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END