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Frame 0, Iteration: 100
C -2.384520 0.023659 -1.590936
C -2.447225 -0.026425 1.533208
C -2.382924 1.348362 -0.782164
C -2.436116 1.348710 0.807685
C -2.340149 -1.361579 0.743861
C -2.392643 -1.365139 -0.832077
O -1.182652 -2.096301 -1.191623
O -1.202438 -0.059868 2.375353
O -1.192253 2.086120 -1.183367
O -1.184429 -0.005255 -2.371039
O -1.165309 -2.086100 1.210826
O -1.208841 2.040081 1.231401
H -3.203631 -1.993944 -1.202253
H -3.186326 -0.048005 2.338801
H -3.152667 2.024918 -1.150846
H -3.224255 0.108047 -2.282196
H -3.172339 -1.967469 1.096543
H -3.265490 1.966318 1.163569
C -0.025847 0.009946 -1.545027
C 0.012149 -0.009974 1.545013
C -0.017888 1.342970 -0.763015
C -0.004797 1.331998 0.780999
C 0.041477 -1.342923 0.763039
C 0.005668 -1.331997 -0.780998
O 1.229277 -2.067242 -1.191253
O 1.184379 0.022704 2.388404
O 1.155272 2.065777 -1.180814
O 1.130272 0.033435 -2.411249
O 1.194073 -2.094054 1.148033
O 1.181336 2.126834 1.210237
C 2.390598 0.034884 -1.589298
C 2.415908 -0.012748 1.613791
C 2.413195 1.391699 -0.763885
C 2.415675 1.378667 0.799644
C 2.400851 -1.377538 0.817765
C 2.426258 -1.330300 -0.793473
H 3.248352 -1.985834 -1.086114
H 3.195466 -0.040784 2.378300
H 3.262477 1.985010 -1.117154
H 3.184162 0.096065 -2.335681
H 3.186217 -2.043156 1.181284
H 3.286537 1.975972 1.096039
Ne 11.986328 -0.028886 1.543347
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