1deHpropanolr.mol
  -ISIS-            3D

 11 10  0  0  0  0  0  0  0  0  0
    0.0564    0.0467   -0.1364 O   0  0  0  0  0
    1.4090   -0.0372    0.1727 C   0  0  0  0  0
    2.2875    1.1669    0.0189 C   0  0  0  0  0
    3.6304    1.0075    0.7638 C   0  0  0  0  0
    3.4594    0.8641    1.8440 H   0  0  0  0  0
    4.1859    0.1280    0.3935 H   0  0  0  0  0
    4.2741    1.8929    0.6242 H   0  0  0  0  0
    1.7598    2.0677    0.4041 H   0  0  0  0  0
    2.4883    1.3803   -1.0592 H   0  0  0  0  0
    1.7970   -1.0498    0.0121 H   0  0  0  0  0
   -0.2376    0.9712   -0.0141 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4  7  1  0  0  0
<MULTIPLICITY>
 2