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path: root/sim/src/tests/rigid_organics/test_C4H8.xyzcmp
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C4H8.mmp
C -0.123000 1.180000 0.014000
C -0.070000 0.116000 1.146000
C -0.285000 0.024000 -1.010000
C 0.260000 -0.953000 0.067000
H 0.837000 1.694000 -0.103000
H -0.915000 1.935000 0.061000
H -1.059000 -0.050000 1.587000
H 0.650000 0.265000 1.956000
H 0.260000 0.100000 -1.956000
H -1.340000 -0.169000 -1.234000
H -0.217000 -1.935000 0.156000
H 1.340000 -1.100000 -0.037000