85
energy: -382.749316
C	-1.204860	-1.025693	1.287864
C	-0.053864	-0.873979	0.704097
C	-0.648728	-0.799931	-0.449130
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C	-2.539444	0.944630	-0.827566
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C	-0.197480	0.948425	0.895125
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C	-1.142569	1.821202	0.706312
C	-1.737787	1.895185	-0.447466
C	0.090633	2.214201	0.828049
C	1.385205	0.543370	0.052769
C	1.078373	1.883277	-1.167936
C	-0.403823	-0.075787	1.668119
C	-1.943709	0.870648	0.325972
C	-0.298957	-1.598516	-1.413314
C	-1.243850	-0.726049	-1.602445
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C	-1.099722	2.362814	-1.479267
C	-0.998625	-0.001636	0.514999
C	0.152458	0.150156	-0.068983
C	-2.395372	-0.878328	-1.018511
C	-1.450494	-1.750704	-0.829402
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C	0.089428	-2.697216	0.513469
C	-1.387300	1.096427	-1.411236
C	1.446973	-1.520592	-0.844014
C	0.540902	-0.948213	1.857575
C	-0.260487	-1.898808	1.477670
C	1.097180	-0.722191	0.120155
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C	-0.855018	-1.823825	0.323962
C	-0.092632	-0.574310	-2.186909
C	-2.150483	-0.153690	1.099369
C	-2.745431	-0.079723	-0.053955
C	-0.504421	2.288292	-0.325471
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C	0.295894	-1.672221	-0.259966
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C	1.692476	-0.796547	1.273691
C	1.035262	1.341553	1.016907
C	-1.348720	0.796593	1.479363
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C	-0.505693	-2.623159	-0.640238
C	-0.154467	1.489690	-1.289438
C	-0.749834	1.564448	-2.443510
C	0.790322	0.617446	-1.100435
C	-0.442407	0.224141	-1.222198
C	-1.799570	-0.951696	0.134886
C	-0.792316	1.022477	-0.257993
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C	1.673416	1.809171	-0.014438
C	0.890857	-1.746621	0.893286
C	0.195362	0.691630	-2.253902
C	0.440456	1.415716	-0.136293
C	1.240794	-2.545829	-0.071006
C	-1.593449	0.072292	-0.638110
C	2.042423	-1.595275	0.309071
C	2.330220	-0.329100	0.241786
C	1.980253	0.469388	1.206201
C	0.397344	0.874261	2.048439
C	-0.547426	1.747008	1.860112
C	1.342320	0.002069	2.238326
C	-1.555611	-0.227740	2.252728
C	-0.610490	-1.100461	2.441888
C	-0.754106	0.722413	2.633481
C	0.190710	-0.150011	2.822577
C	-2.438386	-1.418914	1.166593
C	-2.088161	-2.217842	0.201777
C	-1.492908	-2.291871	1.355902
C	2.618788	0.936838	0.174594
C	-3.033568	-1.345661	0.013125
C	-1.143585	-3.090687	0.391553
C	-1.843669	-1.493622	2.320204
C	2.085746	-1.053766	-1.876056
C	2.373884	0.212187	-1.943517
C	1.323841	2.608061	0.950276
C	2.680684	-1.127865	-0.722729
C	2.968893	0.138076	-0.790076
C	0.685756	2.140519	1.981993
C	2.268780	1.735532	1.139353
C	1.630598	1.268083	2.171063