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path: root/sim/src/tests/heteroatom_organics/test_CH3BHCH3.xyzcmp
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CH3BHCH3.mmp
B 0.341000 0.284000 -0.027000
C -0.020000 -0.221000 1.414000
C -0.334000 -0.234000 -1.345000
H 1.198000 1.122000 -0.125000
H -0.706000 -1.073000 1.454000
H -0.494000 0.618000 1.950000
H 0.878000 -0.452000 2.001000
H -1.213000 -0.871000 -1.199000
H 0.421000 -0.831000 -1.884000
H -0.587000 0.582000 -2.033000