112
energy: -525.251519
C	-0.503106	2.767295	1.367147
C	0.840045	0.662586	1.304413
C	-2.052735	2.060502	0.662640
C	-0.056512	1.566796	1.611602
C	-1.891324	0.764472	-2.359055
C	1.760500	-1.797677	-0.648214
C	1.203294	-0.228959	2.174952
C	-1.614505	0.863484	0.905016
C	2.214504	0.035360	-1.880537
C	0.201146	1.022305	-1.598473
C	0.011260	-0.278667	1.663855
C	2.394966	0.364700	-0.624807
C	1.309318	2.495995	0.073389
C	1.398650	-0.481489	-2.755378
C	-0.458456	-1.563178	-0.411397
C	-0.786112	1.804292	0.545747
C	-1.116734	-2.180307	1.203047
C	2.559344	0.697788	0.630742
C	-1.457853	-0.861829	-0.878976
C	0.768461	2.505640	1.254133
C	-0.687324	2.972368	-0.881382
C	-0.244417	1.783470	-0.632602
C	-1.511938	2.033297	-0.522948
C	0.371211	-0.621240	-0.770902
C	-0.617976	0.506127	-2.460825
C	0.377014	-1.168371	2.535936
C	1.029562	1.964989	-1.962008
C	-0.442128	-1.139302	-1.636400
C	0.386265	-0.198493	-1.995668
C	0.900352	-1.182038	1.346860
C	2.031968	1.261485	-1.493151
C	-1.328431	1.828158	1.724296
C	-1.067121	1.272395	-1.494991
C	-0.349091	0.609265	0.790541
C	0.562131	-1.840553	-1.162626
C	2.204347	1.591453	-0.237288
C	-1.066093	1.702844	-2.718700
C	1.927465	-1.466085	0.605105
C	0.582596	2.728559	-0.993078
C	0.572212	-1.418730	-2.395808
C	0.399569	0.219525	-3.223611
C	0.313059	0.675020	2.489491
C	0.480139	1.551431	0.430650
C	1.388608	-0.901920	-1.521062
C	2.587218	-0.860398	-1.007703
C	-0.513617	-0.262284	2.849008
C	-0.288560	-1.236202	0.841082
C	-1.511327	2.463446	-1.753556
C	0.186913	0.595034	-0.382704
C	-0.241449	2.214790	-1.856761
C	0.735253	-1.515485	0.094411
C	-2.445370	-0.074701	1.266093
C	1.728642	-0.241346	0.987632
C	-2.338507	1.094560	-0.164470
C	1.214922	0.740886	-2.358701
C	-0.816681	-1.219209	2.026272
C	1.018302	1.539602	-0.743551
C	-1.709608	-0.308710	2.328850
C	-0.643361	-0.347913	-0.022621
C	-1.903418	-0.100666	0.086897
C	-1.444540	-0.432609	-2.102350
C	-0.425995	-0.718476	-2.863714
C	0.541346	-0.293093	0.480704
C	-1.895488	0.331613	-1.135733
C	-1.475168	-1.292246	0.337852
C	-2.009765	-1.273502	1.512851
C	1.564041	-0.574227	-0.265029
C	0.207233	1.444162	-2.820578
C	-1.178783	-0.332616	1.150113
C	0.074770	-2.123944	1.708293
C	2.756518	-0.528171	0.246575
C	-0.882983	0.628172	1.970037
C	-0.628194	0.080179	-1.238509
C	-1.073713	0.841262	-0.272746
C	1.200474	0.320875	-1.130865
C	-2.336134	1.524344	-1.394834
C	0.040032	2.747979	0.188193
C	1.669384	1.604218	0.948077
C	2.031418	0.710531	1.818427
C	-1.227939	2.999826	0.304421
C	1.138664	1.614202	2.132427
C	1.371944	0.649635	0.120933
C	-0.091106	-2.458739	0.453388
C	-2.155140	0.891071	2.083623
C	-2.880093	1.123468	1.020948
C	-2.736425	-1.040868	0.446357
C	-3.165743	0.157615	0.193492
C	-2.726734	-0.607764	-0.778909
C	-1.287122	-2.508020	-0.053683
C	-2.289452	-1.804436	-0.522576
C	-1.270475	-2.081793	-1.280802
C	-3.163459	0.587106	-1.037036
C	-2.718222	-0.173492	-2.002182
C	-2.271172	-1.370583	-1.745713
C	-1.252575	-1.656831	-2.507088
C	-0.253391	-2.357722	-2.038898
C	-0.263582	-2.779013	-0.805809
C	1.102108	-2.407084	0.964084
C	0.934941	-2.736891	-0.291124
C	0.681224	-0.215868	3.364599
C	1.507048	0.722004	3.006445
C	1.852053	2.487295	-1.105768
C	-2.309871	-2.239426	0.699230
C	2.091744	-1.132499	1.857449
C	2.918384	-0.195691	1.500514
C	1.267499	-2.070605	2.216495
C	1.568666	-1.117205	3.049893
C	2.956089	-1.753426	-0.134725
C	2.394263	-0.179591	2.691838
C	3.121631	-1.422183	1.115042
C	2.130268	-2.691306	0.223428
C	2.296044	-2.359805	1.473091