115
energy: -540.285926
C	-0.599616	0.374787	1.515047
C	0.705013	1.820142	-1.424893
C	-0.664248	-0.897998	1.797106
C	-0.806395	-2.240019	-0.447606
C	-1.242758	-0.025040	2.568230
C	0.564959	-1.649649	0.642407
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C	-0.521105	0.774998	3.296526
C	1.936689	-1.052356	1.724571
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C	-0.586919	-0.497089	3.583416
C	0.775694	0.699467	3.258640
C	0.016627	0.896225	-0.834357
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C	1.866314	-1.729311	0.605367
C	-0.204421	-2.528382	-1.569036
C	-1.372725	-0.226750	-1.311530
C	-1.305359	-1.299830	2.849564
C	2.656660	0.624014	0.390329
C	1.092897	-2.605534	-1.608009
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C	-0.736618	-1.573811	0.680579
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C	1.356061	-0.176448	2.492332
C	-0.679894	0.693911	-1.908369
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C	-0.081535	-2.055885	1.695024
C	-0.018380	-0.497578	0.752429
C	2.590802	-0.652019	0.679938
C	2.001785	1.745356	-1.464101
C	1.421861	1.098638	2.202958
C	1.286580	-1.450940	2.773804
C	1.319632	0.820198	-0.872796
C	1.815518	-1.532227	-1.517542
C	1.215990	-2.133296	1.657351
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C	-0.786832	-1.377636	-1.438262
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C	-0.765756	-0.509089	-2.417631
C	0.737941	1.701391	-0.118104
C	-0.533024	1.644551	1.220112
C	0.703472	0.298885	1.476999
C	-0.153171	-2.726368	0.571939
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C	1.286293	-0.574076	0.714902
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C	0.767579	1.568826	1.182076
C	2.540043	-0.455622	-1.429559
C	-1.257479	0.848860	0.502618
C	-0.182561	-1.664682	-2.552723
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C	-0.068785	-0.302427	-1.348302
C	1.144226	-2.803915	0.533091
C	-1.286529	0.972176	-0.796561
C	1.114580	-1.740830	-2.592500
C	2.516862	-1.320619	-0.444056
C	0.009394	1.613000	-2.508884
C	-0.089779	-1.164971	-0.366585
C	0.535070	-0.584537	-2.453885
C	-1.901769	0.451404	1.556477
C	-1.392928	-1.089199	-0.328765
C	1.455595	2.508560	0.603863
C	-1.982139	0.054527	-0.210661
C	0.636346	-0.973802	1.759108
C	0.514422	-1.453192	-1.476753
C	0.710111	-0.572679	3.545511
C	-0.592879	1.896104	-1.386241
C	-0.009264	-1.372721	2.810473
C	1.306847	1.538242	-2.548489
C	-1.323074	-0.422040	0.791029
C	-1.379262	-1.982039	1.733426
C	-2.038377	-1.501859	0.719653
C	-1.450927	-2.652870	0.609610
C	-2.627546	-0.348019	0.831973
C	-2.103653	-2.165862	-0.410011
C	-2.697072	-1.016971	-0.291887
C	-2.088661	-1.305169	-1.403069
C	-1.501955	-2.455890	-1.529324
C	3.247609	-0.250182	-0.363570
C	-2.561688	0.927807	0.542439
C	-1.833181	1.724236	1.259956
C	-1.865014	1.857026	-0.042600
C	-1.480174	-1.594493	-2.512960
C	-2.676302	-0.152023	-1.278739
C	-2.062244	-0.434950	-2.385963
C	-1.981456	0.771563	-1.874355
C	-1.139675	2.659786	0.680018
C	-1.372346	0.493732	-2.986862
C	-1.170246	2.784838	-0.624416
C	-1.287807	1.692228	-2.470657
C	-3.292465	0.130560	-0.173659
C	0.187650	2.442633	1.944622
C	1.483785	2.370154	1.906619
C	1.134209	-0.868270	-3.567576
C	-0.162704	-0.792106	-3.527642
C	0.841384	1.970834	2.968296
C	-0.455659	2.046347	3.006224
C	-1.890037	1.972814	-1.349225
C	-1.108165	2.521028	1.982476
C	-2.590345	1.050957	-0.761184