sim/src/tests/singlebond_stretch/test_HO_NH2.xyzcmp


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HO_NH2.mmp
O 0.702000 -0.115000 0.000000
N -0.726000 0.130000 0.000000
H 1.068000 0.780000 0.000000
H -1.062000 -0.382000 -0.817000
H -1.062000 -0.382000 0.817000