sim/src/tests/singlebond_stretch/test_H2B_BH2.xyzcmp


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H2B_BH2.mmp
B 0.000000 0.000000 -0.820000
B 0.000000 0.000000 0.820000
H -1.016000 0.000000 -1.458000
H 1.016000 0.000000 -1.458000
H 0.000000 -1.016000 1.458000
H 0.000000 1.016000 1.458000