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path: root/sim/src/tests/heteroatom_organics/test_ADAM_PH2_Cs.xyzcmp
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ADAM_PH2_Cs.mmp
C 0.678000 -0.114000 0.000000
C 0.040000 -0.759000 -1.258000
C 0.040000 -0.759000 1.258000
C 0.360000 1.401000 0.000000
P 2.527000 -0.507000 0.000000
C -1.169000 1.625000 0.000000
C -1.488000 -0.535000 -1.259000
C -1.488000 -0.535000 1.259000
C -2.104000 -1.179000 0.000000
C -1.782000 0.980000 -1.259000
C -1.782000 0.980000 1.259000
H 0.475000 -0.324000 -2.169000
H 0.475000 -0.324000 2.169000
H 0.267000 -1.833000 -1.284000
H 0.267000 -1.833000 1.284000
H 0.807000 1.876000 -0.883000
H 0.807000 1.876000 0.883000
H 2.910000 0.393000 -1.040000
H 2.910000 0.393000 1.040000
H -1.377000 2.704000 0.000000
H -1.917000 -0.995000 -2.159000
H -1.917000 -0.995000 2.159000
H -3.193000 -1.038000 0.000000
H -1.917000 -2.261000 0.000000
H -2.867000 1.154000 -1.286000
H -2.867000 1.154000 1.286000
H -1.366000 1.443000 -2.165000
H -1.366000 1.443000 2.165000