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path: root/sim/src/tests/heteroatom_organics/test_C3H6PH.xyzcmp
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C3H6PH.mmp
P 0.226000 1.418000 -0.093000
C 0.443000 -0.215000 -1.052000
C -0.240000 0.042000 1.142000
C -0.418000 -0.970000 -0.014000
H -1.114000 1.646000 -0.536000
H 1.497000 -0.510000 -1.006000
H 0.121000 -0.239000 -2.096000
H 0.635000 -0.185000 1.760000
H -1.095000 0.215000 1.799000
H -1.465000 -0.992000 -0.337000
H -0.115000 -2.004000 0.200000