M31
  CCTOOLS-0919241033

 59 61  0  0  1  0  0  0  0  0999 V2000
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    5.4250    0.2230   -0.5640 C   0  0  0  0  0
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    6.2280   -3.0430   -0.7770 H   0  0  0  0  0
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    8.1690   -1.7370   -0.4710 H   0  0  0  0  0
    9.1880    0.3980    0.2110 H   0  0  0  0  0
    5.3880    2.3120   -0.1110 H   0  0  0  0  0
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M  END
$$$$
