propanol.mol
  -ISIS-            3D

 12 11  0  0  0  0  0  0  0  0  0
    0.0088   -0.0090    0.0004 H   0  0  0  0  0
    1.1122   -0.0063    0.0002 C   0  0  0  0  0
    1.6680    1.4302    0.0002 C   0  0  0  0  0
    3.1975    1.4492   -0.0003 C   0  0  0  0  0
    3.6373    2.8279    0.0058 O   0  0  0  0  0
    4.6114    2.8400    0.0003 H   0  0  0  0  0
    1.4458   -0.5677    0.8921 H   0  0  0  0  0
    1.4470   -0.5669   -0.8918 H   0  0  0  0  0
    1.3056    1.9830   -0.8866 H   0  0  0  0  0
    1.3057    1.9823    0.8877 H   0  0  0  0  0
    3.5757    0.9204   -0.9033 H   0  0  0  0  0
    3.5752    0.9121    0.8977 H   0  0  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
M  END