butane2p.mol
  -ISIS-            3D

 13 12  0  0  0  0  0  0  0  0  0
    0.0350   -0.1357   -0.1554 C   0  0  0  0  0
    1.4592   -0.0889   -0.0023 C   0  0  0  0  0
    2.2953    1.0746   -0.2222 C   0  0  0  0  0
    3.0607    1.2027    0.5705 H   0  0  0  0  0
    1.7613    2.0058   -0.4669 H   0  0  0  0  0
    1.9544   -1.0084    0.3631 H   0  0  0  0  0
    2.9314    0.7894   -1.1040 H   0  0  0  0  0
   -0.6994   -1.4674   -0.3508 C   0  0  0  0  0
   -0.2803   -2.2783    0.2685 H   0  0  0  0  0
   -1.7647   -1.3512   -0.1005 H   0  0  0  0  0
   -0.6292   -1.7678   -1.4100 H   0  0  0  0  0
   -0.3871    0.7321   -0.6989 H   0  0  0  0  0
   -0.0941    0.1816    0.9478 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3  7  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 11  1  0  0  0
M  END