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Frame 0, Iteration: 100
H -0.763922 -1.929498 -1.251964
H -0.892534 -0.000814 2.096538
H -0.799001 0.003308 -2.371812
H -0.791437 -1.912342 1.103404
H -0.749516 2.062692 -1.236334
H -0.866050 1.994808 1.033819
C 0.022456 -1.296610 -0.839697
O 1.242651 -2.019852 -1.254562
O 1.229698 0.041476 2.322846
O 1.209408 0.087692 -2.405021
O 1.258232 -2.002118 1.136733
C -0.017505 0.062450 -1.608566
C 0.030035 0.037191 1.515049
C 0.037997 -1.309000 0.723000
O 1.209038 2.149632 -1.231680
O 1.165037 2.146882 1.170032
C 0.013161 1.409351 -0.817063
C -0.003997 1.396119 0.744611
C 2.427783 -1.270381 -0.854599
H 3.274072 -1.851765 -1.209261
H 3.268786 0.129801 2.257482
H 3.209641 0.084789 -2.378860
H 3.361029 -1.782140 1.044108
C 2.430176 0.126440 -1.613218
C 2.473655 0.088041 1.518137
C 2.465377 -1.234292 0.703500
H 3.232595 2.053307 -1.232777
H 3.188718 2.134580 1.069906
C 2.409856 1.444610 -0.853182
C 2.393161 1.489044 0.709474
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