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Frame 0, Iteration: 100
C -2.047766 1.175748 -0.005855
C -0.043202 2.381959 -0.059220
C -2.028734 -1.223791 -0.000857
C -0.002929 -2.383905 0.028949
C 2.106366 -1.186728 -0.031175
C 2.052642 1.201723 -0.059008
S -1.753481 2.975197 0.178381
S -3.474733 -0.039524 0.199145
S -1.713960 -2.999864 0.194850
S 1.748131 -2.992980 0.206554
S 3.470435 0.026547 0.179857
S 1.699802 3.007865 0.180025
C 0.007647 1.524734 1.241158
C -1.308823 0.772039 1.308215
C -1.300528 -0.732733 1.267364
C -0.008249 -1.463259 1.262960
C 1.356112 -0.716323 1.229498
C 1.330161 0.778133 1.233821
C 1.291173 0.756396 -1.311195
C -0.016000 1.511003 -1.295008
C -1.333652 0.743431 -1.283226
C -1.314901 -0.802710 -1.319849
C 0.047216 -1.518319 -1.278479
C 1.328821 -0.726862 -1.285890
H 0.109883 2.138957 2.145980
H -1.857537 1.163914 2.173972
H -1.876490 -1.108064 2.122134
H -0.079210 -2.107534 2.145192
H 1.951607 -1.071745 2.076350
H 1.908801 1.184496 2.076034
H 0.007978 2.150161 -2.184736
H 1.953031 1.079740 -2.117794
H 1.951730 -1.031600 -2.129232
H -1.872047 1.077894 -2.170867
H -1.930273 -1.204493 -2.137240
H 0.094184 -2.127709 -2.182220
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