sim/src/tests/heteroatom_organics/test_CH3BH2.xyzcmp


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CH3BH2.mmp
B -0.597000 0.097000 0.490000
C 0.536000 -0.153000 -0.555000
H -0.527000 1.044000 1.220000
H -1.546000 -0.624000 0.598000
H 0.415000 -1.032000 -1.193000
H 1.503000 -0.227000 -0.034000
H 0.644000 0.735000 -1.197000