path: root/sim/src/tests/singlebond_stretch/test_HS_NH2.xyzcmp

5
HS_NH2.mmp
S 0.573000 -0.094000 0.000000
N -1.150000 0.162000 0.000000
H 0.929000 1.211000 0.000000
H -1.571000 -0.243000 -0.830000
H -1.571000 -0.243000 0.830000