mtberp.mol
  -ISIS-            3D

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   -0.0067   -0.0163   -0.0317 C   0  0  0  0  0
    1.5108   -0.0084   -0.0655 C   0  0  0  0  0
    2.1070    1.4823    0.1106 C   0  0  0  0  0
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    2.1149   -0.4038   -1.3014 O   0  0  0  0  0
    1.3743   -0.5451   -2.5098 C   0  0  0  0  0
   -0.4685    0.7566   -0.6739 H   0  0  0  0  0
   -0.4064   -1.0059   -0.3242 H   0  0  0  0  0
   -0.3367    0.1869    1.0011 H   0  0  0  0  0
    1.7083    2.1219   -0.6922 H   0  0  0  0  0
    3.2065    1.4647    0.0897 H   0  0  0  0  0
    1.7436    1.8140    1.0989 H   0  0  0  0  0
    1.9511   -0.4827    2.0112 H   0  0  0  0  0
    1.7851   -1.9227    0.9297 H   0  0  0  0  0
    3.2832   -0.9317    0.8952 H   0  0  0  0  0
    0.4675    0.0843   -2.5323 H   0  0  0  0  0
    1.0562   -1.6151   -2.5835 H   0  0  0  0  0
    2.0752   -0.3485   -3.3374 H   0  0  0  0  0
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  6 18  1  0  0  0
M  END