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path: root/sim/src/tests/heteroatom_organics/test_C4H8BH.xyzcmp
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C4H8BH.mmp
B 0.461000 0.959000 -0.010000
C 0.158000 0.056000 -1.263000
C 0.290000 0.065000 1.273000
C -0.383000 -1.232000 0.758000
C 0.104000 -1.387000 -0.699000
H 0.766000 2.115000 -0.031000
H 0.792000 0.185000 -2.146000
H -0.855000 0.370000 -1.584000
H 1.329000 -0.153000 1.590000
H -0.188000 0.519000 2.148000
H -1.474000 -1.098000 0.766000
H -0.169000 -2.115000 1.370000
H -0.525000 -2.066000 -1.286000
H 1.117000 -1.811000 -0.702000