File: github1936.mol

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MFCD00013403
     RDKit          2D

  7  7  0  0  0  0  0  0  0  0999 V2000
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    4.0736    2.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9407    0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570    1.7010    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7570    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407    4.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  1  1  0
M  CHG  1   5   1
M  RAD  1   5   2
M  END