98
energy: -450.805527
C	-0.385795	-0.193144	0.669405
C	1.345495	-0.566171	0.178265
C	0.017114	0.887200	1.269113
C	1.000713	1.577108	0.773492
C	0.964814	2.876908	0.805343
C	1.523544	-2.037999	-1.517167
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C	-0.788803	-1.273442	0.069841
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C	-0.218917	-0.865533	1.768963
C	-0.375042	-0.991576	-2.124878
C	-0.186750	2.859418	0.200884
C	0.361874	-1.256067	0.673815
C	0.147838	1.513878	2.401038
C	1.529536	1.145000	-1.619659
C	0.588108	-2.419690	1.208684
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C	-1.170705	2.169099	0.696040
C	1.126498	0.064257	-2.219474
C	1.985198	2.267776	0.278328
C	2.681040	1.162741	-1.015568
C	-0.955840	-0.600937	-1.029659
C	2.732893	1.204934	0.282632
C	-0.149822	1.559512	0.169624
C	2.277828	0.081699	-1.615548
C	1.132053	2.204219	1.905223
C	1.571979	-1.729252	0.712800
C	0.430689	1.169325	-0.925615
C	-1.369452	-0.882902	1.165053
C	-0.966554	0.197298	1.764605
C	-0.317408	2.232533	-0.929922
C	2.152278	1.595332	1.377677
C	0.833738	2.249747	-0.325911
C	1.167874	0.904828	1.873067
C	0.764812	-0.175713	1.273456
C	0.781613	2.208569	-1.624200
C	0.027784	0.088961	-1.525210
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C	-0.621888	-1.945931	1.169546
C	1.975052	-0.648526	1.312610
C	2.556266	-1.039256	0.217122
C	1.169176	-2.810448	0.112842
C	1.926189	-0.956788	-0.917016
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C	-0.552892	0.479380	-0.430054
C	-1.003171	1.496281	1.796404
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C	1.748363	0.514286	0.777843
C	-1.133394	0.869650	0.665150
C	0.991076	-1.338671	1.808339
C	0.597746	0.496696	0.173895
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C	-0.208010	-1.663887	-1.025310
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C	-1.536553	-0.210466	0.065485
C	2.378589	0.432385	1.912611
C	-0.019373	2.186301	1.300765
C	1.581317	1.186720	-0.321550
C	0.775496	-0.974071	-1.520802
C	-1.123036	0.071800	-2.129163
C	1.394339	-0.258000	2.408450
C	-0.040991	-2.336536	0.074052
C	1.874734	-0.999383	-2.215535
C	0.373039	-2.055402	-2.121048
C	0.723686	-1.016784	-2.819690
C	-1.496712	-1.775620	-0.897896
C	-1.329832	-2.448656	0.201998
C	-0.748742	-2.839446	-0.893823
C	-0.915827	-2.166713	-1.993701
C	-1.664032	-1.103025	-1.998018
C	-2.077622	-1.385003	0.197634
C	-2.244700	-0.712299	-0.902268
C	-2.117269	0.179958	1.160813
C	-2.284409	0.852911	0.061057
C	0.410067	-0.948305	2.904356
C	0.006987	-2.029022	2.304536
C	-1.203079	-1.555694	2.265583
C	-0.800187	-0.475480	2.865135
C	-0.836379	0.823591	2.896924
C	-1.950699	-0.492799	2.261241
C	-2.154487	1.479278	1.192234
C	-1.987371	0.806292	2.292660
C	-2.825928	-0.321703	0.193287
C	-1.910911	-2.057980	1.297866
C	-2.658873	-0.994623	1.293521
C	-0.369654	2.191204	-2.228654
C	-0.772872	1.110508	-2.828338
C	-1.468376	2.216085	-1.534243
C	-1.871457	1.135600	-2.133705
C	-2.452369	1.525928	-1.038505
C	-2.412211	-0.039299	-2.002435
C	-2.993185	0.351102	-0.906915