C2H2.mol


  4  3  0  0  0  0  0  0  0  0  0
    0.0133   -0.0001   -0.0002 C   0  0  0  0  0
    1.2268    0.0001    0.0002 C   0  0  0  0  0
   -1.0608   -0.0001    0.0001 H   0  0  0  0  0
    2.3008    0.0001   -0.0001 H   0  0  0  0  0
  1  2  3  0  0  0
  1  3  1  0  0  0
  2  4  1  0  0  0