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path: root/sim/src/tests/singlebond_stretch/test_HS_OH.xyzcmp
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HS_OH.mmp
S -0.590000 -0.051000 0.000000
O 1.134000 0.073000 0.000000
H -0.751000 1.287000 0.000000
H 1.460000 -0.839000 0.000000