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Frame 0, Iteration: 100
H -0.953600 -1.967021 -1.224426
H -1.102179 -0.020370 2.118454
H -1.024564 -0.039180 -2.343404
H -0.977750 -1.941493 1.133136
H -1.017414 2.025686 1.117061
H -1.072423 1.966164 -1.213212
C -0.177808 -1.319642 -0.815679
O 1.055540 -2.020258 -1.232259
O 1.028444 0.047378 2.339249
O 0.978045 0.074264 -2.396323
O 1.066936 -1.995774 1.156563
C -0.238347 0.036230 -1.586507
C -0.179932 0.018407 1.535991
C -0.163179 -1.328074 0.745791
O 0.953194 2.145304 -1.220408
O 0.929226 2.143277 1.181464
C -0.218093 1.376696 0.761838
C -0.247090 1.385215 -0.799415
C 2.147928 1.448441 0.736399
C 2.158542 1.467102 -0.814614
C 2.239066 -1.226574 -0.830909
C 2.199914 0.107777 -1.634027
C 2.271744 0.111670 1.519692
C 2.266219 -1.218190 0.744582
H 3.030255 2.070089 -1.125065
H 2.918767 2.161654 1.036340
H 3.079380 -1.870671 1.064414
H 3.034968 -1.857035 -1.244633
H 3.143731 0.097578 2.182498
H 2.966859 0.272825 -2.410586
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