sim/src/tests/singlebond_stretch/test_H2B_CH3.xyzcmp


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H2B_CH3.mmp
C 0.726000 -0.021000 0.000000
B -0.834000 0.001000 0.000000
H 1.000000 1.052000 0.000000
H 1.184000 -0.448000 0.898000
H 1.184000 -0.448000 -0.898000
H -1.449000 0.044000 -1.028000
H -1.449000 0.044000 1.028000