95
energy: -435.250971
C	-0.322793	0.943433	-0.390621
C	1.970786	0.342843	1.993528
C	0.331712	2.127969	1.413835
C	-0.320255	0.987978	-1.685561
C	1.031908	-0.257305	1.311476
C	-1.539808	0.922344	0.055395
C	-0.183702	-0.289682	1.762705
C	-1.564629	-0.372209	-0.018418
C	0.587246	0.293612	-1.070737
C	0.255062	-0.812096	2.866195
C	-0.626744	0.230060	0.661138
C	1.247867	1.435784	2.022809
C	0.539995	-1.381900	1.729328
C	-2.058818	-1.493998	0.408047
C	1.552371	2.238898	-1.628276
C	-0.289902	2.284317	-1.624387
C	0.844532	-0.819191	-0.439608
C	1.524243	0.895978	-0.391508
C	0.584192	0.259009	0.218538
C	0.615024	1.545724	0.288870
C	-0.603027	1.523884	0.734115
C	-1.840808	0.203937	1.110011
C	1.781692	-0.217545	0.240026
C	1.552641	2.151352	0.967820
C	2.730463	0.414326	-0.382568
C	-0.679228	-1.411199	2.188208
C	0.751871	0.310843	2.444448
C	-0.394915	-1.982224	1.051969
C	-1.260683	0.341283	-1.070129
C	1.553144	2.193109	-0.330825
C	0.590727	0.337363	-2.364126
C	0.644263	2.885289	-0.948192
C	2.464045	1.499510	0.285448
C	0.094053	-0.859477	0.631915
C	-1.120494	-0.891226	1.083989
C	-0.354082	-0.343484	-0.461271
C	0.616214	1.589301	-1.007067
C	1.474406	-0.783120	2.406959
C	-0.584516	2.819082	0.806718
C	0.311189	0.832316	1.340656
C	1.794900	-0.186384	-1.060331
C	-1.518307	2.217869	0.129928
C	0.358330	-1.947048	-0.020959
C	1.525590	0.937639	-1.686798
C	-0.093025	-1.421349	-1.118256
C	2.468123	1.468207	1.582543
C	2.461179	1.537096	-1.011156
C	-1.821590	1.504937	1.180363
C	2.722263	0.382635	0.918891
C	0.617179	1.638742	-2.304164
C	-0.905861	0.804298	1.787392
C	-0.296500	2.236026	-0.322616
C	-0.843816	-1.461752	-0.047529
C	-1.294015	-0.947144	-1.142458
C	-1.231402	1.635704	-0.999972
C	-1.398997	-0.322736	2.216970
C	0.858546	-0.787638	-1.738735
C	-0.465388	0.277362	2.895009
C	-0.888106	2.105519	1.858127
C	-0.350472	-0.307821	-1.749793
C	1.294797	-1.345714	0.657533
C	1.524327	0.862601	0.899513
C	0.027616	1.404507	2.465092
C	2.232960	-0.747211	1.336785
C	0.637371	2.837102	0.353717
C	-2.334216	-0.922684	1.541011
C	-1.613769	-2.012150	1.512199
C	-2.775826	-0.395705	0.433927
C	-2.478959	0.323134	-0.622563
C	-2.505243	-0.974226	-0.696420
C	-1.782232	-2.067073	-0.725631
C	-1.328986	-2.583245	0.375847
C	-0.576881	-2.551479	-0.699018
C	2.043979	-1.304493	-0.415174
C	1.109115	-1.904789	-1.092493
C	0.810573	-2.475445	1.075146
C	-0.123366	-3.076499	0.398711
C	1.559676	-2.437815	0.007846
C	0.626171	-3.038609	-0.669835
C	-1.029134	-2.026231	-1.799115
C	0.176042	-2.505147	-1.770804
C	-0.076928	-1.388364	-2.416608
C	-1.287355	-0.909345	-2.432549
C	-0.342321	-0.263081	-3.042375
C	-1.256687	0.388855	-2.366629
C	-2.756913	0.905475	0.504137
C	-0.316538	1.038870	-2.982342
C	1.745245	-1.876628	1.752551
C	2.979538	-0.704958	0.260424
C	-2.453330	1.619037	-0.547276
C	-1.224353	1.685424	-2.302029
C	-2.165999	1.036983	-1.677391
C	2.495065	-1.838537	0.684251
C	-2.200364	-0.258559	-1.751335
C	-2.236950	-1.553048	-1.826414