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Frame 0, Iteration: 100
C -2.125093 1.075570 -0.101451
C -2.186661 -1.268620 -0.101540
C -0.131059 2.222792 -0.125880
C 1.841068 1.101769 -0.103839
C 1.948276 -1.225396 -0.108549
C -0.113440 -2.409886 -0.090781
C -1.441224 -0.881069 -1.346698
C -1.439115 0.612686 -1.387077
C -0.144011 1.402987 -1.391002
C 1.138932 0.644622 -1.357910
C 1.163651 -0.836742 -1.351446
C -0.137867 -1.605491 -1.339592
O -3.048603 -0.093947 -0.548366
O -1.603807 2.436015 -0.520844
O 1.317783 2.474683 -0.594919
O 2.750629 -0.023279 -0.583003
O 1.366624 -2.561640 -0.567609
O -1.574704 -2.630806 -0.533890
C -2.150960 1.092293 2.461065
C -0.106023 2.275811 2.468221
C -2.126559 -1.234026 2.511328
C -0.091414 -2.414979 2.455584
C 1.966709 -1.201144 2.465997
C 1.903723 1.154592 2.444460
C -0.063345 1.453300 3.765990
C -1.384424 0.719691 3.745223
C -1.420188 -0.813723 3.771437
C -0.132756 -1.530451 3.738556
C 1.215673 -0.785474 3.727828
C 1.218339 0.753160 3.731867
O -1.567379 2.469711 2.905930
O -2.988004 -0.076268 2.998275
O -1.523383 -2.559898 2.984907
O 1.378428 -2.554509 2.938942
O 2.806393 -0.042500 2.952836
O 1.352954 2.514196 2.884433
C -0.094103 -1.588393 1.213133
C -1.435078 -0.839456 1.210942
C -1.407469 0.670648 1.190632
C -0.138026 1.453405 1.177162
C 1.165598 0.685414 1.184473
C 1.235553 -0.802865 1.177105
H -1.995643 -1.246921 -2.220520
H -1.995608 0.958914 -2.270012
H -0.207357 2.064790 -2.271501
H 1.652362 0.967222 -2.274120
H 1.738422 -1.118907 -2.247283
H -0.091993 -2.304693 -2.190573
H -0.020220 2.037363 4.695175
H -1.909144 1.024703 4.661643
H -2.019068 -1.207122 4.614646
H -0.162254 -2.165124 4.637323
H 1.791066 -1.118907 4.631927
H 1.842230 1.057834 4.587319
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