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Frame 0, Iteration: 100
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H 19.371993 -0.627039 0.626987
H 20.627002 -0.627001 -0.627006
C 19.999997 -0.000005 0.000008
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H -0.626998 -0.627005 20.626994
H 0.627004 -0.627003 19.372042
C 0.000001 0.000007 19.999998
H 0.638979 20.591033 0.627001
H -0.614972 20.591031 -0.627019
H -0.614995 19.334984 0.626994
H 0.638982 19.334985 -0.627017
C 0.012001 19.963001 0.000004