111
energy: -519.072233
C	-0.383218	2.001950	0.595510
C	-0.069730	2.785264	-0.397083
C	0.136932	-0.164307	2.477336
C	0.723818	2.684990	0.631543
C	0.451018	0.614836	1.479424
C	-2.141798	-1.344668	-1.732750
C	-1.202767	0.549636	-2.511949
C	0.806207	0.107647	0.339729
C	-0.743994	2.509618	1.732415
C	-1.514641	-0.230077	-1.514040
C	-0.896417	-1.229110	-2.099807
C	-0.578499	1.668335	-2.296315
C	-0.431027	3.289387	0.741418
C	-0.909234	-1.674379	0.109451
C	0.338248	1.004277	-1.676254
C	-1.206348	0.103805	-0.300606
C	0.766515	1.396131	0.483147
C	-1.829966	-1.010942	-0.518315
C	2.725600	-0.552404	-1.273258
C	-0.582823	-0.451829	-3.093675
C	-0.255988	-2.350804	-1.924597
C	1.209634	1.799667	2.645686
C	-1.211032	-2.008228	-1.106317
C	0.094897	1.127563	2.617527
C	-1.828346	-0.567071	-2.726703
C	-1.622471	1.902197	0.977905
C	-0.890758	0.885561	-1.297805
C	0.355381	-1.227792	-1.704265
C	0.653359	-0.888366	-0.489743
C	1.287057	0.672980	-2.486115
C	0.337499	-1.670465	0.507099
C	-2.493249	1.286421	0.219276
C	0.988305	-2.346511	-1.527188
C	0.409784	1.905215	1.623842
C	-0.277660	-0.110366	-1.884896
C	1.245604	0.509639	2.499579
C	-2.753183	-0.350277	-1.146548
C	0.021776	0.220378	-0.676465
C	-1.258086	1.392082	-0.160749
C	-2.440968	-0.008840	0.072043
C	1.765055	-0.220878	-0.468280
C	1.920507	-0.444034	-2.294448
C	1.449704	-1.001793	0.527513
C	-0.593305	-0.892178	-0.887524
C	-2.440426	0.428172	-2.139938
C	1.558897	1.288153	1.503836
C	1.083244	2.179112	-0.510931
C	0.490818	-0.674916	1.337787
C	2.562982	-0.330683	0.552314
C	2.878902	0.447264	-0.440690
C	1.303374	-1.569328	-2.520824
C	-2.126380	0.770190	-0.921340
C	1.910489	0.777877	0.361566
C	-1.573432	0.611170	0.835041
C	0.968981	-0.106669	-1.486975
C	-0.945933	2.175027	-1.156000
C	-1.522246	-0.678225	0.696274
C	0.040058	-2.008663	-0.708544
C	0.291833	2.286816	-1.537554
C	2.229433	1.558372	-0.631956
C	-2.180604	2.065364	-0.774059
C	2.083755	0.558375	-1.464292
C	-1.309223	2.681741	-0.014562
C	-0.023027	1.501368	-0.541464
C	0.036591	0.669388	-2.885243
C	1.523971	2.578105	1.653066
C	0.057915	-1.573467	-2.918598
C	1.291139	-2.000077	-0.307629
C	1.875328	2.069107	0.511004
C	1.122831	0.890181	-0.657966
C	1.605722	-1.221048	-1.301011
C	1.441960	1.673149	-1.654575
C	-1.813582	1.548319	-1.914514
C	-0.338698	0.718304	0.456044
C	-0.698209	1.221919	1.590176
C	1.595356	-0.002511	1.356683
C	2.410074	-1.329668	-0.279501
C	-0.655012	-0.063660	1.454204
C	0.671254	-0.450240	-2.702592
C	-0.611066	-1.346573	1.321449
C	-0.294369	-0.562522	0.321851
C	-1.014708	0.445165	2.586953
C	-1.059354	1.733466	2.725487
C	-1.938050	1.124547	1.971118
C	-1.891983	-0.167739	1.831425
C	-0.972202	-0.843406	2.454013
C	1.284157	-0.782499	2.353050
C	0.177917	-1.457068	2.336993
C	1.137722	-1.784343	1.523066
C	2.250031	-1.110057	1.545136
C	2.703075	0.671116	1.382269
C	3.019549	1.448503	0.390776
C	2.391351	-0.107202	2.374532
C	2.353707	1.185786	2.526400
C	2.667982	1.964074	1.533964
C	0.655478	1.790193	-2.679418
C	-2.809504	0.507976	1.211858
C	-1.841863	-1.460188	1.693080
C	-2.756796	-0.787405	1.063908
C	-2.148818	-1.793123	0.475443
C	-3.069214	-1.128959	-0.154379
C	2.096688	-2.109807	0.712678
C	-2.457162	-2.124308	-0.741007
C	-0.274788	-2.793006	0.284788
C	0.674602	-3.126441	-0.535266
C	-0.570916	-3.130688	-0.932912
C	0.977298	-2.779788	0.684004
C	-1.526169	-2.787918	-0.114815
C	0.023696	-2.455577	1.503305
C	-1.226907	-2.459460	1.104535
C	-0.928914	-2.133326	2.323731