deH2propanoner.mol
  -ISIS-            3D

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    1.4452    0.0001   -0.0004 C   0  0  0  0  0
    1.9664    0.9628    0.0001 H   0  0  0  0  0
    2.0274   -0.9285   -0.0144 H   0  0  0  0  0
   -0.6310    1.0839   -0.0066 O   0  0  0  0  0
   -0.7271   -1.3414   -0.0036 C   0  0  0  0  0
   -1.8064   -1.1730    0.1257 H   0  0  0  0  0
   -0.3529   -2.0005    0.8012 H   0  0  0  0  0
   -0.5576   -1.8634   -0.9643 H   0  0  0  0  0
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  6  9  1  0  0  0
<MULTIPLICITY>
2
M  END