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path: root/sim/src/tests/floppy_organics/test_C5H12b.xyzcmp
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C5H12b.mmp
C -0.154000 -0.214000 -1.348000
C -0.894000 -0.634000 -0.066000
C -0.275000 -0.165000 1.263000
C 1.272000 -0.761000 -1.462000
C -0.260000 1.358000 1.449000
H -0.741000 -0.565000 -2.207000
H -0.137000 0.881000 -1.430000
H -1.929000 -0.270000 -0.121000
H -0.961000 -1.732000 -0.050000
H 0.746000 -0.552000 1.357000
H -0.846000 -0.619000 2.083000
H 1.718000 -0.503000 -2.428000
H 1.286000 -1.854000 -1.372000
H 1.929000 -0.360000 -0.683000
H 0.144000 1.634000 2.428000
H -1.272000 1.773000 1.376000
H 0.355000 1.854000 0.690000