101
energy: -468.141561
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C	-0.114358	-0.286366	2.303373
C	0.971523	-1.403807	-0.162316
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C	-0.240867	-1.069000	0.187880
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C	-0.602196	-1.135158	1.430872
C	1.456504	-0.560595	0.710750
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C	0.244090	-0.225850	1.060871
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C	2.598134	1.366074	0.415981
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C	-0.968292	0.108870	1.411164
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C	-0.820648	1.264192	0.818017
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C	2.301720	-0.953655	1.606929
C	0.120844	-2.311944	0.202495
C	0.970105	-2.715160	1.105265
C	0.247065	-1.538192	2.325564
C	1.454929	-1.872204	1.978078
C	-2.214476	0.869803	-1.205274
C	-2.000968	0.269289	-2.336330
C	-1.610103	1.504085	-2.163351
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C	-1.423650	2.244687	0.218310
C	-2.427588	1.472446	-0.073546
C	-2.600637	-0.372928	-1.373779
C	-2.819786	0.233489	-0.247087
C	-2.455236	-1.014078	-0.238104
C	-2.243220	-1.626190	-1.363202
C	-2.091167	-2.260222	-0.230799
C	-2.667224	-0.402677	0.889131
C	-2.295251	-1.646341	0.900588
C	-1.813193	-0.803449	1.783242
C	-1.445159	-2.048296	1.802990
C	-0.960322	-1.205315	2.675772
C	-2.180734	0.443134	1.764867
C	-1.321463	0.046714	2.653511
C	-1.175640	1.210572	2.065309
C	-2.032629	1.602001	1.169892
C	3.041170	-0.839611	-0.878452
C	-3.041169	0.839627	0.878464
C	-0.318852	0.821076	2.959576
C	-0.814414	2.887413	-0.731029
C	-0.420802	3.016520	0.508242
C	-0.171268	1.976057	2.366582
C	-1.025030	2.366378	1.462564