HCCr.mol
  -ISIS-            3D

  3  2  0  0  0  0  0  0  0  0  0
    0.5479    0.0050    0.0000 C   0  0  0  0  0
    1.6243   -0.0027    0.0000 H   0  0  0  0  0
   -0.6690   -0.0022    0.0000 C   0  0  0  0  0
  1  2  1  0  0  0
  1  3  3  0  0  0
<MULTIPLICITY>
 2