1deHpropanoner.mol
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    1.3741    0.0050    0.0648 C   0  0  0  0  0
    2.2664    1.2380    0.0041 C   0  0  0  0  0
    3.7649    0.9062   -0.0644 C   0  0  0  0  0
    4.0735    0.3028    0.8056 H   0  0  0  0  0
    3.9984    0.3311   -0.9760 H   0  0  0  0  0
    4.3706    1.8276   -0.0786 H   0  0  0  0  0
    2.0206    1.8169    0.9178 H   0  0  0  0  0
    1.9303    1.8532   -0.8547 H   0  0  0  0  0
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  4  6  1  0  0  0
  4  7  1  0  0  0
<MULTIPLICITY>
 2