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path: root/sim/src/tests/floppy_organics/test_C5H12e.xyzcmp
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C5H12e.mmp
C 1.052000 1.104000 -0.711000
C 0.072000 0.055000 -0.155000
C 0.148000 0.048000 1.385000
C 0.453000 -1.335000 -0.695000
C -1.361000 0.400000 -0.604000
H 1.025000 1.135000 -1.807000
H 0.811000 2.110000 -0.346000
H 2.083000 0.882000 -0.412000
H -0.492000 -0.736000 1.807000
H -0.179000 1.008000 1.800000
H 1.173000 -0.134000 1.727000
H -0.230000 -2.110000 -0.330000
H 1.468000 -1.616000 -0.387000
H 0.424000 -1.358000 -1.792000
H -2.083000 -0.332000 -0.227000
H -1.433000 0.408000 -1.698000
H -1.669000 1.389000 -0.243000