HOCH.mol
  -ISIS-            3D

  4  3  0  0  0  0  0  0  0  0  0
   -1.2447    0.3061    0.0000 H   0  0  0  0  0
    0.7362    0.2278    0.0000 C   0  0  0  0  0
    0.5874    1.3559    0.0001 H   0  0  0  0  0
   -0.4710   -0.3181    0.0001 O   0  0  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0