117
energy: -551.789121
C	1.167029	1.972607	1.404619
C	-0.187085	2.700793	-0.245851
C	2.181981	1.176975	1.240104
C	1.393627	0.172639	1.430416
C	-1.175572	-1.971758	2.116716
C	-1.848121	-0.920604	1.739738
C	-0.760330	-0.109383	-0.029005
C	-0.252498	1.754597	-1.135145
C	-0.106166	-1.832543	2.843076
C	-1.840589	-0.584001	0.487878
C	1.661323	-2.043743	1.440285
C	1.184120	-1.701656	-1.419283
C	-1.158804	-1.282756	-0.383537
C	-0.946755	0.410538	-2.193213
C	-0.374290	-2.677917	-1.262109
C	-1.060208	-1.639104	-1.628062
C	0.113294	-1.844170	-2.146457
C	0.012630	-1.495257	-0.899856
C	-0.092828	-1.484689	1.593552
C	0.226554	0.206519	-2.710329
C	0.029787	0.891199	-0.216255
C	-0.706589	0.484240	2.119088
C	0.094664	1.828453	0.676458
C	-0.670292	-0.455633	-1.267291
C	0.125887	0.549655	-1.463168
C	-0.777174	-0.780433	2.465090
C	1.482033	-0.173817	0.190485
C	0.991119	-1.001280	1.072609
C	0.364400	0.625572	2.849749
C	-0.978869	1.687911	-0.050669
C	2.370518	0.487271	-1.258216
C	-1.166282	-1.625210	0.866508
C	0.591942	-2.182442	0.714598
C	-0.725294	0.153651	3.373274
C	0.380766	0.956886	1.594991
C	-0.765348	-0.443156	1.215630
C	1.670471	-0.864607	-2.299179
C	0.920420	1.555521	-1.659648
C	1.285027	-2.053814	-2.665530
C	0.575260	-2.529924	1.971659
C	-1.794563	0.014010	2.646844
C	-1.704115	1.607238	1.038680
C	1.766478	-2.397595	0.187853
C	-1.768910	0.675466	0.138994
C	2.257097	-1.563436	-0.694448
C	-0.494668	-2.668346	1.246089
C	-1.779966	0.343734	1.392078
C	0.155741	2.767848	1.567614
C	0.316028	0.031536	0.700016
C	-0.653621	1.411707	3.024099
C	0.696257	-2.535924	-0.537720
C	0.882632	2.842549	0.479745
C	0.405615	-0.314511	-0.538070
C	2.161611	-1.217240	0.554088
C	1.382819	-0.163219	2.676127
C	1.086736	-1.354610	-0.172361
C	0.435534	1.888027	2.490099
C	-1.838415	-0.250503	-0.758662
C	2.066611	-0.864184	1.802127
C	0.602132	-1.005467	-3.024527
C	1.869085	-2.746390	-1.062815
C	1.573043	-0.518762	-1.052813
C	0.979513	-1.347610	2.323188
C	-0.478891	-2.322653	-0.010678
C	0.309437	-0.302544	1.944092
C	1.454245	1.100110	2.325994
C	-0.083603	-1.141953	0.344162
C	0.499744	-0.659308	-1.779763
C	-1.722782	1.270852	2.297912
C	-0.633306	1.747398	1.763965
C	1.893000	2.039673	0.316813
C	2.559731	-0.034109	0.917062
C	2.648201	-0.379827	-0.328783
C	0.820220	1.895050	-0.408569
C	-0.571252	-0.801405	-2.509323
C	0.799111	-2.886513	-1.787525
C	-1.046251	0.751046	-0.945097
C	0.291919	-0.641047	3.191479
C	1.105726	1.032794	0.512457
C	2.740593	-0.725422	-1.576144
C	1.200702	0.690390	-0.735188
C	1.992942	1.697945	-0.935164
C	-0.913567	2.626529	0.841176
C	2.276353	0.832562	-0.010181
C	1.297131	0.346577	-1.982135
C	-0.693851	0.816251	0.866645
C	2.354628	-1.913743	-1.941077
C	-0.150672	1.417257	-2.387054
C	2.467787	0.145463	-2.506182
C	1.398075	0.005377	-3.230696
C	2.092448	1.354832	-2.185875
C	1.022786	1.214757	-2.910365
C	-1.744664	-0.597693	-1.998319
C	-1.324902	1.618351	-1.862713
C	-2.121889	0.613491	-1.674939
C	-2.053595	1.550966	-0.776749
C	-1.258062	2.562271	-0.970218
C	0.541232	2.760797	-1.332792
C	1.609613	2.903679	-0.608398
C	-0.528370	2.623736	-2.056513
C	1.715232	2.562277	-1.862061
C	0.645339	2.422173	-2.586720
C	2.474063	0.313990	2.163545
C	-2.234626	-1.427308	-1.111115
C	-1.549317	-2.464088	-0.734281
C	-2.241106	-1.769216	0.141879
C	-1.985094	2.487600	0.117540
C	-2.846465	0.537075	-0.586916
C	-2.775088	1.467741	0.315476
C	-2.856003	0.204013	0.668554
C	-1.565161	-2.810109	0.522000
C	-2.793954	1.131555	1.574404
C	-2.246743	-2.112712	1.393302
C	-2.865808	-0.126501	1.923507
C	-2.919233	-1.061356	1.016605
C	-2.918372	-0.726299	-0.237068
C	-2.920068	-0.392216	-1.489919