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path: root/sim/src/tests/floppy_organics/test_C4H10b.xyzcmp
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C4H10b.mmp
C 0.811000 -0.628000 -1.443000
C -0.541000 -0.560000 -0.723000
C -0.449000 -0.600000 0.812000
C 0.186000 0.648000 1.435000
H 0.681000 -0.611000 -2.529000
H 1.346000 -1.551000 -1.185000
H 1.460000 0.214000 -1.176000
H -1.168000 -1.395000 -1.062000
H -1.070000 0.356000 -1.026000
H -1.460000 -0.729000 1.220000
H 0.118000 -1.491000 1.116000
H 0.193000 0.589000 2.529000
H 1.222000 0.787000 1.110000
H -0.372000 1.551000 1.157000