82
energy: -367.955726
C	1.309542	0.573863	0.531441
C	0.229533	0.945473	2.482199
C	1.250928	-1.751914	-0.353745
C	-1.683838	1.349671	0.319825
C	-1.778783	-0.037152	2.094655
C	-1.697549	0.972453	-0.923996
C	1.199707	1.389180	-1.570536
C	-1.073695	1.004833	2.460184
C	0.195703	0.181843	0.015336
C	-0.370156	1.665326	1.581814
C	0.729823	1.685074	0.864444
C	0.113431	-1.205687	1.792920
C	0.106300	2.027789	-1.278215
C	0.167607	-1.104998	-0.052241
C	-1.091098	0.246912	-0.020129
C	-1.040261	0.344492	-1.865557
C	-1.166010	-2.343226	-0.161006
C	2.403499	-0.058687	0.235459
C	0.770718	-1.833655	0.851363
C	-0.487235	-0.479375	0.885810
C	0.047130	-0.304045	-2.159744
C	0.215654	0.558585	1.248190
C	-0.480025	-0.098189	2.125825
C	-2.424113	-0.992691	-0.120364
C	-1.080177	0.624295	1.220495
C	-0.387423	1.283927	0.343433
C	1.884334	-1.182254	0.628951
C	0.129126	2.411977	-0.036973
C	-0.408844	0.909653	-0.892100
C	-1.778361	-0.417149	0.850951
C	-1.014491	1.639625	-1.801748
C	-0.527500	-1.774278	0.815103
C	-1.766667	-1.620787	-1.062141
C	-0.436253	-0.378711	-0.958181
C	-2.378450	0.684074	1.195016
C	-2.382565	0.305976	-0.049359
C	1.278025	-0.456381	-0.273631
C	0.674955	0.268963	-1.178391
C	0.800901	-0.545361	0.922819
C	0.074863	0.994090	-2.085712
C	1.332931	0.964118	1.769022
C	0.706381	1.299315	-0.373451
C	1.407992	-1.274005	1.832580
C	0.133752	-2.395545	-0.126886
C	0.647520	-1.026303	-1.254394
C	-1.068895	-0.949063	-1.931159
C	1.798429	0.664156	-0.666299
C	-1.732167	-0.325376	-0.992193
C	-1.823452	-1.715125	0.780770
C	1.915941	-0.148751	1.436697
C	-1.127957	-1.048084	-0.088398
C	-1.179910	-1.140497	1.754917
C	-1.673462	1.726177	1.560405
C	0.818516	-0.163984	2.155723
C	-0.467411	-1.669594	-1.026957
C	-0.969581	2.387675	0.683257
C	-0.990970	2.012349	-0.558940
C	1.826033	1.696735	0.143115
C	2.426970	0.976681	1.042854
C	0.753055	2.076340	2.101424
C	0.153382	2.797583	1.201774
C	1.227653	2.419158	-0.756428
C	1.762188	-0.371859	-1.472713
C	2.363064	-1.092867	-0.574048
C	1.163971	0.349345	-2.372993
C	0.614222	-2.323370	-1.333280
C	0.014567	-1.602132	-2.232916
C	-0.504660	-2.963841	-1.101895
C	-1.103713	-2.243330	-2.000627
C	-2.464986	-2.290451	-0.193194
C	-2.474711	-1.081718	1.720162
C	-3.073773	-0.361218	0.821422
C	1.246799	2.813465	0.485624
C	1.846508	2.092175	1.385331
C	1.130179	-0.952345	-2.455746
C	1.729930	-1.673696	-1.555968
C	-3.119884	-1.661788	0.747352
C	2.924398	1.062377	-0.158710
C	2.892362	0.032495	-0.963072
C	2.292696	0.753745	-1.862723
C	2.324699	1.783671	-1.058416
C	-1.806895	-2.916154	-1.133488