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Frame 0, Iteration: 100
C -2.385795 0.021303 -1.588301
C -2.439907 -0.025173 1.538354
C -2.384683 1.350134 -0.781820
C -2.431316 1.348878 0.806065
C -2.346807 -1.363157 0.748464
C -2.392633 -1.365277 -0.827345
O -1.181149 -2.093149 -1.190170
O -1.202843 -0.059304 2.378163
O -1.192153 2.086032 -1.182714
O -1.185866 -0.005914 -2.372601
O -1.165663 -2.085627 1.210805
O -1.206459 2.037429 1.227750
H -3.202411 -1.993785 -1.200900
H -3.183544 -0.045895 2.340385
H -3.154174 2.026814 -1.150675
H -3.225104 0.106420 -2.280607
H -3.177908 -1.969901 1.099684
H -3.261731 1.965009 1.162626
C -0.025668 0.004428 -1.556127
C 0.011840 -0.006217 1.561015
C -0.017986 1.340550 -0.763790
C -0.004789 1.322307 0.751632
C 0.041437 -1.333850 0.775184
C 0.005472 -1.311088 -0.779616
O 1.227490 -2.064534 -1.190082
O 1.185680 0.023427 2.390564
O 1.154891 2.065570 -1.180207
O 1.131320 0.032830 -2.412887
O 1.194076 -2.093311 1.147748
O 1.179321 2.124086 1.206790
C 2.390600 0.032407 -1.586918
C 2.412465 -0.011463 1.608266
C 2.410133 1.389089 -0.765198
C 2.412645 1.377200 0.799315
C 2.400144 -1.375445 0.812315
C 2.423230 -1.333242 -0.793384
H 3.246814 -1.987580 -1.085596
H 3.192642 -0.040396 2.373207
H 3.260232 1.982897 -1.117194
H 3.183852 0.095240 -2.333727
H 3.185294 -2.040648 1.178911
H 3.284478 1.974666 1.095831
Ne 11.986328 -0.028886 1.543347
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