propanalrp.mol
  -ISIS-            3D

 10  9  0  0  0  0  0  0  0  0  0
    0.0209    0.0127    0.2826 O   0  0  0  0  0
    1.1882   -0.0397    0.0116 C   0  0  0  0  0
    2.0658    1.2790   -0.0729 C   0  0  0  0  0
    2.7576    1.3551   -1.4195 C   0  0  0  0  0
    2.0663    1.5141   -2.2686 H   0  0  0  0  0
    3.3600    2.2982   -1.3853 H   0  0  0  0  0
    3.4368    0.5129   -1.6257 H   0  0  0  0  0
    2.7646    1.0867    0.7748 H   0  0  0  0  0
    1.4056    2.1304    0.1597 H   0  0  0  0  0
    1.7155   -1.0090   -0.1937 H   0  0  0  0  0
  1  2  2  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
<CHARGE>
1
<MULTIPLICITY>
2
M  END