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Frame 0, Iteration: 100
C 0.006117 1.537654 1.225730
C -1.345322 0.748929 1.228597
C -1.300491 -0.772777 1.254978
C -0.009133 -1.503234 1.285428
C 1.366948 -0.743100 1.230227
C 1.317206 0.771384 1.207537
C 1.303087 0.741041 -1.277168
C -0.016005 1.510991 -1.295010
C -1.337456 0.741537 -1.295035
C -1.316232 -0.791547 -1.238016
C -0.002012 -1.529211 -1.250162
C 1.303437 -0.785666 -1.275440
H 0.025887 2.173581 2.119457
H -1.835145 1.055147 2.166863
H -1.825669 -1.030467 2.182147
H -0.035106 -2.078639 2.218288
H 1.993164 -0.991188 2.099780
H 1.882247 1.072559 2.095953
H -0.058921 2.114237 -2.207234
H 1.907739 1.078112 -2.120112
H 1.874179 -1.113567 -2.147026
H -1.872648 0.983573 -2.224297
H -1.794001 -1.123746 -2.163811
H 0.007307 -2.131542 -2.162506
C -2.041386 1.166265 0.001611
C -0.008228 2.407278 -0.038607
C -2.060771 -1.235188 0.011255
C -0.015564 -2.386711 0.008068
C 2.082524 -1.200968 -0.044758
C 2.062902 1.236215 -0.039488
S -1.747351 2.989145 0.157210
S -3.457618 -0.024533 0.228590
S -1.703077 -2.993831 0.204851
S 1.751497 -2.981721 0.182774
S 3.463722 0.015652 0.187192
S 1.716084 3.036423 0.165511
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