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path: root/sim/src/tests/heteroatom_organics/test_C3H6O.xyzcmp
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C3H6O.mmp
O -0.236000 0.916000 -1.092000
C 0.912000 0.170000 -0.626000
C -1.079000 0.337000 -0.069000
C 0.108000 -0.438000 0.543000
H 1.746000 0.829000 -0.350000
H 1.267000 -0.549000 -1.376000
H -1.537000 1.102000 0.570000
H -1.874000 -0.288000 -0.498000
H 0.016000 -1.526000 0.543000
H 0.416000 -0.102000 1.535000