sim/src/tests/singlebond_stretch/test_H2N_CH3.xyzcmp


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H2N_CH3.mmp
C 0.742000 0.020000 0.000000
N -0.721000 -0.075000 0.000000
H 1.144000 1.047000 0.000000
H 1.135000 -0.497000 0.881000
H 1.135000 -0.497000 -0.881000
H -1.120000 0.375000 -0.819000
H -1.120000 0.375000 0.819000