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Frame 0, Iteration: 100
C -1.258963 1.228884 -1.763973
N -1.460784 0.702611 -3.174183
C -2.582797 -0.803645 -1.019755
N -2.660930 1.480890 -3.454572
C -2.567471 0.699765 -1.030338
C -2.584447 -1.239855 0.392016
C -3.932756 1.186512 -1.719330
N -3.824702 0.652326 -3.121328
C -2.598094 1.171478 0.395602
C -5.222797 -0.854272 -1.010035
C -2.582193 -0.030012 1.287907
C -1.281058 -1.322737 -1.708317
C -5.237257 0.704494 -1.048023
N -1.384667 -2.775746 -1.616401
C -5.186550 -1.268950 0.444147
C -5.240649 1.227545 0.407489
C -5.170966 -0.001127 1.292371
C -3.915681 -1.337873 -1.717634
N -3.793764 -2.810108 -1.679624
C -3.886181 -2.080477 0.700127
C -3.932794 2.011360 0.671949
C -3.904192 -0.039096 2.114314
N -3.759610 2.423613 2.085680
N -3.814444 3.196134 -0.248171
N -3.728983 -2.481224 2.132765
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N -2.582229 3.241938 1.925816
N -2.574888 -0.807254 3.748932
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H -5.948413 -1.958061 0.806335
H -6.108269 1.861413 0.628906
H -5.986915 0.077747 2.013848
C 0.010010 1.239180 0.390632
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C 0.027613 -0.021868 1.270806
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C -0.009755 -0.796098 -1.024248
H 0.914951 -1.159253 -1.476218
C 0.012543 0.718591 -1.027103
H 0.929110 1.062988 -1.510947
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