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Frame 0, Iteration: 100
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O 1.222626 -1.988815 -1.283468
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O 1.186509 0.110703 -2.412872
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C -0.017760 1.395871 0.744652
C 2.441852 -1.262211 -0.843742
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H 3.220069 0.182305 -2.346258
H 3.377814 -1.760271 1.045154
C 2.430351 0.112844 -1.606425
C 2.428607 0.087257 1.492577
C 2.469881 -1.239692 0.721653
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C 2.436721 1.459475 -0.819702
C 2.392935 1.474169 0.714127
H -0.713760 -2.001139 -1.180888
H -0.790841 0.088812 2.227467
H -0.857264 -0.016322 -2.305890
H -0.834139 -1.894121 1.026180
H -0.809076 2.003956 -1.264337
H -0.778672 2.101047 1.089818