aceticacidr.mol
  -ISIS-            3D

  7  6  0  0  0  0  0  0  0  0  0
    0.0050    0.0034    0.0000 O   0  0  0  0  0
    1.2818    0.0020   -0.0033 C   0  0  0  0  0
    1.7626    1.1847    0.0001 O   0  0  0  0  0
    2.1154   -1.2393   -0.0256 C   0  0  0  0  0
    2.3100   -1.5296   -1.0739 H   0  0  0  0  0
    1.5781   -2.0639    0.4726 H   0  0  0  0  0
    3.0822   -1.0542    0.4727 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  2  0  0  0
  2  4  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4  7  1  0  0  0
<MULTIPLICITY>
 2