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Frame 0, Iteration: 100
H -0.726521 -1.920147 -1.248395
H -0.892443 -0.000747 2.094000
H -0.796447 -0.005860 -2.359291
H -0.791975 -1.914143 1.099267
C 0.061868 -1.295900 -0.839815
O 1.257993 -1.987392 -1.265995
O 1.229859 0.023666 2.339318
O 1.204805 0.073257 -2.443344
O 1.250711 -1.994857 1.118145
C -0.003992 0.062693 -1.608607
C 0.030247 0.037195 1.515049
C 0.037994 -1.309000 0.723000
O 1.200789 2.132796 -1.231863
O 1.180780 2.117597 1.208123
C -0.008348 1.408964 -0.816998
C -0.026407 1.395715 0.744678
C 2.468377 -1.241926 -0.859454
H 3.267324 -1.868602 -1.248184
H 3.278731 0.122740 2.229370
H 3.289416 0.125971 -2.310713
H 3.290333 -1.824596 1.083239
C 2.433364 0.098314 -1.639546
C 2.469039 0.096607 1.509191
C 2.453536 -1.223913 0.715228
H 3.264980 2.025801 -1.139587
H 3.199237 2.086247 1.030538
C 2.393162 1.427167 -0.827533
C 2.362021 1.463179 0.706039
H -0.804796 1.998743 -1.267172
H -0.790254 2.098651 1.089978
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