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path: root/sim/src/tests/heteroatom_organics/test_C_CH3_3_SH.xyzcmp
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C_CH3_3_SH.mmp
C -0.622000 -0.011000 0.000000
C -1.029000 0.764000 1.260000
C -1.029000 0.764000 -1.260000
C -1.242000 -1.415000 0.000000
S 1.231000 -0.302000 0.000000
H -0.746000 0.229000 2.172000
H -0.746000 0.229000 -2.172000
H -0.552000 1.750000 1.290000
H -0.552000 1.750000 -1.290000
H -2.115000 0.918000 1.275000
H -2.115000 0.918000 -1.275000
H -0.943000 -1.982000 0.888000
H -0.943000 -1.982000 -0.888000
H -2.336000 -1.342000 0.000000
H 1.601000 0.996000 0.000000