#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:05:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178801 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/55/4105515.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4105515
loop_
_publ_author_name
'Brian F. Moore'
'G. Ajith Kumar'
'Mei-Chee Tan'
'Jesse Kohl'
'Richard E. Riman'
'Mikhail G. Brik'
'Thomas J. Emge'
'John G. Brennan'
_publ_section_title
;
 Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from
 Nanoscale NdSex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              373
_journal_page_last               378
_journal_paper_doi               10.1021/ja1069322
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C176 H160 N16 Na Nd17 Se34, 11(C5 H5 N)'
_chemical_formula_sum            'C231 H215 N27 Na Nd17 Se34'
_chemical_formula_weight         8529.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.129(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.4939(13)
_cell_length_b                   41.963(2)
_cell_length_c                   30.9247(17)
_cell_measurement_reflns_used    9909
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.29
_cell_volume                     27741(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -52
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            127590
_diffrn_reflns_theta_full        26.45
_diffrn_reflns_theta_max         26.45
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    7.629
_exptl_absorpt_correction_T_max  0.6173
_exptl_absorpt_correction_T_min  0.2008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.042
_exptl_crystal_description       lathe
_exptl_crystal_F_000             15908
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.242
_refine_diff_density_min         -1.286
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1944
_refine_ls_number_reflns         28496
_refine_ls_number_restraints     6726
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.081
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0800P)²+250.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1425
_refine_ls_wR_factor_ref         0.1544
_reflns_number_gt                20150
_reflns_number_total             28496
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1069322_si_002.cif
_cod_data_source_block           nd17_lt
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+250.0000P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+250.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4105515
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Nd1 Nd 0.213906(18) 0.371699(11) 0.734443(14) 0.03780(10) Uani 1 d U .
Nd2 Nd 0.086769(19) 0.370003(11) 0.619188(14) 0.03879(10) Uani 1 d U .
Nd3 Nd -0.092248(19) 0.371079(11) 0.580877(13) 0.03661(10) Uani 1 d U .
Nd4 Nd -0.217134(18) 0.370526(11) 0.641272(14) 0.03759(10) Uani 1 d U .
Nd5 Nd 0.10419(2) 0.286428(11) 0.711379(16) 0.04204(11) Uani 1 d U .
Nd6 Nd -0.090142(19) 0.286423(10) 0.657296(16) 0.03933(11) Uani 1 d U .
Nd7 Nd 0.137333(19) 0.455271(10) 0.786373(13) 0.03581(10) Uani 1 d U .
Nd8 Nd 0.00772(2) 0.455627(10) 0.656338(13) 0.03558(10) Uani 1 d U .
Nd9 Nd 0.0000 0.371298(14) 0.7500 0.02975(12) Uani 1 d SU .
Se1 Se 0.00204(3) 0.335758(18) 0.66118(2) 0.03334(17) Uani 1 d U .
Se2 Se 0.09207(3) 0.406350(18) 0.70814(2) 0.03098(16) Uani 1 d U .
Se3 Se -0.09029(3) 0.406347(18) 0.66550(2) 0.03076(16) Uani 1 d U .
Se4 Se -0.12881(3) 0.335734(18) 0.71927(3) 0.03221(16) Uani 1 d U .
Se5 Se 0.17606(4) 0.32248(2) 0.66607(3) 0.0448(2) Uani 1 d U .
Se6 Se -0.00350(4) 0.41876(2) 0.57569(2) 0.04137(19) Uani 1 d U .
Se7 Se -0.17998(3) 0.32273(2) 0.58817(3) 0.03930(19) Uani 1 d U .
Se8 Se -0.25165(3) 0.41905(2) 0.69531(3) 0.03965(19) Uani 1 d U .
Se9 Se 0.0000 0.46742(3) 0.7500 0.0426(3) Uani 1 d SU .
Se10 Se 0.0000 0.27419(3) 0.7500 0.0445(3) Uani 1 d SU .
Se11 Se -0.00474(4) 0.32615(2) 0.55260(3) 0.0511(2) Uani 1 d DU .
C1 C -0.0052(5) 0.3319(2) 0.4905(3) 0.073(2) Uani 1 d DU .
C2 C -0.0006(5) 0.3047(3) 0.4651(3) 0.089(2) Uani 1 d DU .
H2 H 0.0004 0.2841 0.4779 0.107 Uiso 1 calc R .
C3 C 0.0024(6) 0.3082(3) 0.4210(3) 0.100(3) Uani 1 d DU .
H3 H 0.0072 0.2900 0.4041 0.120 Uiso 1 calc R .
C4 C -0.0017(6) 0.3377(3) 0.4025(4) 0.100(3) Uani 1 d DU .
H4 H -0.0019 0.3398 0.3719 0.120 Uiso 1 calc R .
C5 C -0.0056(6) 0.3642(3) 0.4264(3) 0.092(3) Uani 1 d DU .
H5 H -0.0071 0.3846 0.4128 0.111 Uiso 1 calc R .
C6 C -0.0073(5) 0.3615(3) 0.4711(3) 0.077(2) Uani 1 d DU .
H6 H -0.0099 0.3801 0.4879 0.092 Uiso 1 calc R .
Se12 Se 0.19662(4) 0.41512(2) 0.65117(3) 0.0519(2) Uani 1 d DU .
C7 C 0.2579(4) 0.4070(2) 0.6204(3) 0.078(2) Uani 1 d DU .
C8 C 0.2849(5) 0.4336(3) 0.6069(4) 0.095(2) Uani 1 d DU .
H8 H 0.2719 0.4545 0.6118 0.114 Uiso 1 calc R .
C9 C 0.3319(5) 0.4293(3) 0.5857(4) 0.106(3) Uani 1 d DU .
H9 H 0.3499 0.4470 0.5752 0.127 Uiso 1 calc R .
C10 C 0.3501(5) 0.3993(3) 0.5809(4) 0.106(3) Uani 1 d DU .
H10 H 0.3829 0.3962 0.5680 0.128 Uiso 1 calc R .
C11 C 0.3242(5) 0.3734(3) 0.5935(4) 0.098(3) Uani 1 d DU .
H11 H 0.3384 0.3527 0.5890 0.117 Uiso 1 calc R .
C12 C 0.2760(4) 0.3769(3) 0.6134(4) 0.082(2) Uani 1 d DU .
H12 H 0.2565 0.3588 0.6216 0.098 Uiso 1 calc R .
Se13 Se -0.20380(4) 0.41568(2) 0.56831(3) 0.0513(2) Uani 1 d DU .
C13 C -0.2696(5) 0.4118(2) 0.5114(3) 0.096(3) Uani 1 d DU .
C14 C -0.2994(6) 0.4392(2) 0.4901(4) 0.124(3) Uani 1 d DU .
H14 H -0.2869 0.4594 0.5039 0.149 Uiso 1 calc R .
C15 C -0.3474(7) 0.4375(3) 0.4491(5) 0.145(4) Uani 1 d DU .
H15 H -0.3646 0.4563 0.4329 0.173 Uiso 1 calc R .
C16 C -0.3691(7) 0.4086(3) 0.4328(5) 0.145(4) Uani 1 d DU .
H16 H -0.4089 0.4066 0.4104 0.174 Uiso 1 calc R .
C17 C -0.3346(7) 0.3824(3) 0.4482(4) 0.128(4) Uani 1 d DU .
H17 H -0.3424 0.3633 0.4308 0.153 Uiso 1 calc R .
C18 C -0.2874(6) 0.3833(3) 0.4899(4) 0.101(3) Uani 1 d DU .
H18 H -0.2676 0.3642 0.5033 0.121 Uiso 1 calc R .
Se14 Se -0.28223(4) 0.32617(2) 0.69050(3) 0.0497(2) Uani 1 d DU .
C19 C -0.3717(3) 0.3309(2) 0.6702(3) 0.064(2) Uani 1 d DU .
C20 C -0.4086(4) 0.3033(2) 0.6625(4) 0.075(2) Uani 1 d DU .
H20 H -0.3890 0.2830 0.6698 0.090 Uiso 1 calc R .
C21 C -0.4728(4) 0.3051(3) 0.6446(4) 0.090(3) Uani 1 d DU .
H21 H -0.4977 0.2863 0.6409 0.108 Uiso 1 calc R .
C22 C -0.5003(5) 0.3341(3) 0.6322(4) 0.091(3) Uani 1 d DU .
H22 H -0.5440 0.3354 0.6171 0.109 Uiso 1 calc R .
C23 C -0.4655(4) 0.3613(3) 0.6412(4) 0.081(2) Uani 1 d DU .
H23 H -0.4857 0.3814 0.6347 0.097 Uiso 1 calc R .
C24 C -0.4005(4) 0.3600(2) 0.6599(4) 0.069(2) Uani 1 d DU .
H24 H -0.3764 0.3790 0.6654 0.083 Uiso 1 calc R .
N1 N 0.32365(7) 0.37284(3) 0.72708(13) 0.0633(18) Uani 1 d DU .
C49 C 0.35164(6) 0.40077(3) 0.72586(13) 0.074(2) Uani 1 d DU .
H49 H 0.3321 0.4196 0.7318 0.089 Uiso 1 calc R .
C50 C 0.40741(9) 0.40360(3) 0.71640(16) 0.086(2) Uani 1 d DU .
H50 H 0.4263 0.4238 0.7158 0.103 Uiso 1 calc R .
C51 C 0.43374(9) 0.37658(3) 0.70814(15) 0.093(3) Uani 1 d DU .
H51 H 0.4707 0.3777 0.6995 0.112 Uiso 1 calc R .
C52 C 0.40933(6) 0.34809(3) 0.71173(14) 0.090(3) Uani 1 d DU .
H52 H 0.4308 0.3291 0.7087 0.108 Uiso 1 calc R .
C53 C 0.35251(15) 0.34653(3) 0.7199(2) 0.075(2) Uani 1 d DU .
H53 H 0.3336 0.3264 0.7205 0.090 Uiso 1 calc R .
N2 N 0.12918(10) 0.36867(3) 0.55189(8) 0.0774(18) Uani 1 d DU .
C54 C 0.13376(9) 0.39564(3) 0.53018(8) 0.097(2) Uani 1 d DU .
H54 H 0.1216 0.4150 0.5409 0.116 Uiso 1 calc R .
C55 C 0.15532(13) 0.39676(3) 0.49306(9) 0.116(3) Uani 1 d DU .
H55 H 0.1567 0.4162 0.4776 0.139 Uiso 1 calc R .
C56 C 0.17419(16) 0.36920(3) 0.47978(10) 0.122(3) Uani 1 d DU .
H56 H 0.1918 0.3693 0.4556 0.147 Uiso 1 calc R .
C57 C 0.16887(10) 0.34160(3) 0.49972(8) 0.110(3) Uani 1 d DU .
H57 H 0.1793 0.3221 0.4882 0.132 Uiso 1 calc R .
C58 C 0.1480(3) 0.34177(4) 0.53721(14) 0.092(2) Uani 1 d DU .
H58 H 0.1471 0.3224 0.5529 0.110 Uiso 1 calc R .
N3 N -0.1421(3) 0.37037(3) 0.49393(4) 0.0499(15) Uani 1 d DU .
C59 C -0.1578(3) 0.34282(4) 0.47163(4) 0.0498(18) Uani 1 d DU .
H59 H -0.1539 0.3238 0.4889 0.060 Uiso 1 calc R .
C60 C -0.1795(4) 0.34065(4) 0.42482(5) 0.070(2) Uani 1 d DU .
H60 H -0.1900 0.3207 0.4098 0.083 Uiso 1 calc R .
C61 C -0.1850(4) 0.36796(4) 0.40144(5) 0.088(3) Uani 1 d DU .
H61 H -0.2015 0.3674 0.3692 0.105 Uiso 1 calc R .
C62 C -0.1680(5) 0.39587(5) 0.42233(4) 0.088(3) Uani 1 d DU .
H62 H -0.1687 0.4147 0.4051 0.106 Uiso 1 calc R .
C63 C -0.1494(5) 0.39698(4) 0.46923(6) 0.072(2) Uani 1 d DU .
H63 H -0.1417 0.4170 0.4842 0.086 Uiso 1 calc R .
N4 N -0.32870(8) 0.36871(3) 0.58486(16) 0.0684(19) Uani 1 d DU .
C64 C -0.35566(7) 0.34082(3) 0.56940(17) 0.081(3) Uani 1 d DU .
H64 H -0.3322 0.3219 0.5791 0.097 Uiso 1 calc R .
C65 C -0.41582(10) 0.33815(3) 0.5401(2) 0.099(3) Uani 1 d DU .
H65 H -0.4336 0.3180 0.5292 0.119 Uiso 1 calc R .
C66 C -0.44807(11) 0.36527(3) 0.5277(2) 0.114(3) Uani 1 d DU .
H66 H -0.4908 0.3643 0.5097 0.137 Uiso 1 calc R .
C67 C -0.42153(8) 0.39370(3) 0.53998(17) 0.105(3) Uani 1 d DU .
H67 H -0.4428 0.4127 0.5272 0.125 Uiso 1 calc R .
C68 C -0.36266(15) 0.39505(4) 0.5715(2) 0.083(3) Uani 1 d DU .
H68 H -0.3461 0.4151 0.5839 0.100 Uiso 1 calc R .
N5 N 0.19096(5) 0.24741(4) 0.70160(13) 0.0638(18) Uani 1 d DU .
C69 C 0.25016(5) 0.25598(5) 0.72262(14) 0.071(2) Uani 1 d DU .
H69 H 0.2576 0.2757 0.7385 0.085 Uiso 1 calc R .
C70 C 0.30090(6) 0.23762(4) 0.72234(13) 0.082(3) Uani 1 d DU .
H70 H 0.3423 0.2433 0.7398 0.098 Uiso 1 calc R .
C71 C 0.28915(5) 0.21145(7) 0.69623(18) 0.095(3) Uani 1 d DU .
H71 H 0.3232 0.1990 0.6937 0.114 Uiso 1 calc R .
C72 C 0.23080(6) 0.20242(7) 0.67376(17) 0.101(3) Uani 1 d DU .
H72 H 0.2234 0.1840 0.6550 0.121 Uiso 1 calc R .
C73 C 0.18142(7) 0.22019(9) 0.6782(2) 0.084(3) Uani 1 d DU .
H73 H 0.1398 0.2129 0.6643 0.101 Uiso 1 calc R .
N6 N -0.13489(8) 0.24752(6) 0.58717(4) 0.0606(16) Uani 1 d DU .
C74 C -0.12416(12) 0.25708(6) 0.54905(5) 0.077(2) Uani 1 d DU .
H74 H -0.0977 0.2750 0.5506 0.092 Uiso 1 calc R .
C75 C -0.14964(9) 0.24229(7) 0.50756(5) 0.091(3) Uani 1 d DU .
H75 H -0.1395 0.2489 0.4813 0.109 Uiso 1 calc R .
C76 C -0.18937(12) 0.21821(7) 0.50598(5) 0.095(3) Uani 1 d DU .
H76 H -0.2109 0.2088 0.4774 0.114 Uiso 1 calc R .
C77 C -0.19939(17) 0.20707(7) 0.54355(6) 0.087(3) Uani 1 d DU .
H77 H -0.2246 0.1887 0.5422 0.105 Uiso 1 calc R .
C78 C -0.1727(2) 0.22260(10) 0.58431(7) 0.072(2) Uani 1 d DU .
H78 H -0.1814 0.2154 0.6108 0.086 Uiso 1 calc R .
N7 N 0.22969(8) 0.49375(4) 0.82819(7) 0.0573(17) Uani 1 d DU .
C79 C 0.26529(8) 0.48503(5) 0.86974(7) 0.067(2) Uani 1 d DU .
H79 H 0.2550 0.4659 0.8823 0.081 Uiso 1 calc R .
C80 C 0.31614(11) 0.50239(6) 0.89533(7) 0.079(3) Uani 1 d DU .
H80 H 0.3389 0.4965 0.9256 0.095 Uiso 1 calc R .
C81 C 0.33204(12) 0.52801(6) 0.87551(9) 0.088(3) Uani 1 d DU .
H81 H 0.3680 0.5400 0.8917 0.105 Uiso 1 calc R .
C82 C 0.29867(9) 0.53715(6) 0.83365(9) 0.079(3) Uani 1 d DU .
H82 H 0.3107 0.5554 0.8202 0.095 Uiso 1 calc R .
C83 C 0.24653(18) 0.51980(9) 0.81020(11) 0.069(2) Uani 1 d DU .
H83 H 0.2222 0.5265 0.7807 0.083 Uiso 1 calc R .
N8 N 0.03169(6) 0.49627(4) 0.59776(7) 0.0635(18) Uani 1 d DU .
C84 C 0.07705(8) 0.48648(4) 0.58142(8) 0.070(2) Uani 1 d DU .
H84 H 0.0994 0.4677 0.5938 0.084 Uiso 1 calc R .
C85 C 0.09300(9) 0.50230(5) 0.54753(9) 0.083(2) Uani 1 d DU .
H85 H 0.1265 0.4953 0.5374 0.099 Uiso 1 calc R .
C86 C 0.05905(7) 0.52805(6) 0.52959(8) 0.082(2) Uani 1 d DU .
H86 H 0.0678 0.5391 0.5054 0.098 Uiso 1 calc R .
C87 C 0.01321(9) 0.53860(5) 0.54478(9) 0.079(2) Uani 1 d DU .
H87 H -0.0099 0.5571 0.5319 0.095 Uiso 1 calc R .
C88 C -0.00022(13) 0.52230(7) 0.57934(12) 0.068(2) Uani 1 d DU .
H88 H -0.0328 0.5298 0.5902 0.082 Uiso 1 calc R .
Na1A Na 0.0000 0.5401(3) 0.7500 0.150 Uiso 0.5902(15) d SPDU 1
Se15 Se -0.14042(6) 0.23861(4) 0.70613(7) 0.0524(6) Uani 0.5902(15) d PDU 1
C25A C -0.22923(10) 0.23170(8) 0.67874(12) 0.066(2) Uani 0.5902(15) d PDU 1
C26A C -0.25900(18) 0.20687(13) 0.6935(2) 0.073(2) Uani 0.5902(15) d PDU 1
H26A H -0.2354 0.1933 0.7172 0.088 Uiso 0.5902(15) calc PR 1
C27A C -0.3228(3) 0.2016(2) 0.6741(3) 0.078(2) Uani 0.5902(15) d PDU 1
H27A H -0.3423 0.1846 0.6846 0.093 Uiso 0.5902(15) calc PR 1
C28A C -0.3572(4) 0.2208(2) 0.6403(3) 0.075(3) Uani 0.5902(15) d PDU 1
H28A H -0.4008 0.2171 0.6271 0.090 Uiso 0.5902(15) calc PR 1
C29A C -0.3295(3) 0.2450(2) 0.6254(3) 0.071(2) Uani 0.5902(15) d PDU 1
H29A H -0.3540 0.2583 0.6017 0.085 Uiso 0.5902(15) calc PR 1
C30A C -0.2653(4) 0.2510(2) 0.6441(3) 0.064(3) Uani 0.5902(15) d PDU 1
H30A H -0.2466 0.2682 0.6331 0.077 Uiso 0.5902(15) calc PR 1
Se26 Se 0.09157(4) 0.50333(5) 0.84261(10) 0.0822(11) Uani 0.5902(15) d PDU 1
C31B C 0.15151(5) 0.51926(9) 0.89627(18) 0.069(2) Uani 0.5902(15) d PDU 1
C32B C 0.18330(10) 0.54737(14) 0.8931(3) 0.072(3) Uani 0.5902(15) d PDU 1
H32B H 0.1753 0.5583 0.8650 0.087 Uiso 0.5902(15) calc PR 1
C33B C 0.22735(18) 0.5589(2) 0.9328(3) 0.081(3) Uani 0.5902(15) d PDU 1
H33B H 0.2499 0.5780 0.9320 0.097 Uiso 0.5902(15) calc PR 1
C34B C 0.2373(3) 0.5425(2) 0.9725(4) 0.083(3) Uani 0.5902(15) d PDU 1
H34B H 0.2672 0.5504 0.9993 0.100 Uiso 0.5902(15) calc PR 1
C35B C 0.2064(2) 0.5153(2) 0.9752(4) 0.080(2) Uani 0.5902(15) d PDU 1
H35B H 0.2146 0.5045 1.0034 0.096 Uiso 0.5902(15) calc PR 1
C36B C 0.1623(3) 0.5032(3) 0.9363(3) 0.071(2) Uani 0.5902(15) d PDU 1
H36B H 0.1402 0.4842 0.9377 0.085 Uiso 0.5902(15) calc PR 1
Se17 Se 0.01491(3) 0.25405(4) 0.63031(5) 0.0432(4) Uani 0.5902(15) d PDU 1
C37A C 0.00052(3) 0.21002(14) 0.6381(2) 0.066(2) Uani 0.5902(15) d PDU 1
C38A C -0.01974(7) 0.1910(2) 0.5992(3) 0.066(3) Uani 0.5902(15) d PDU 1
H38A H -0.0260 0.2000 0.5699 0.079 Uiso 0.5902(15) calc PR 1
C39A C -0.03061(13) 0.1587(2) 0.6039(4) 0.069(3) Uani 0.5902(15) d PDU 1
H39A H -0.0444 0.1456 0.5776 0.082 Uiso 0.5902(15) calc PR 1
C40A C -0.02169(14) 0.1458(3) 0.6457(4) 0.074(3) Uani 0.5902(15) d PDU 1
H40A H -0.0293 0.1237 0.6483 0.089 Uiso 0.5902(15) calc PR 1
C41A C -0.00216(13) 0.1639(3) 0.6834(4) 0.077(3) Uani 0.5902(15) d PDU 1
H41A H 0.0038 0.1545 0.7124 0.092 Uiso 0.5902(15) calc PR 1
C42A C 0.00953(19) 0.1967(2) 0.6805(4) 0.073(3) Uani 0.5902(15) d PDU 1
H42A H 0.0233 0.2095 0.7072 0.087 Uiso 0.5902(15) calc PR 1
Se28 Se 0.11767(9) 0.50020(2) 0.70795(5) 0.0611(6) Uani 0.5902(15) d PDU 1
C43B C 0.1901(3) 0.50636(5) 0.68879(12) 0.081(2) Uani 0.5902(15) d PDU 1
C44B C 0.2459(4) 0.49049(7) 0.7109(2) 0.098(3) Uani 0.5902(15) d PDU 1
H44B H 0.2481 0.4765 0.7355 0.118 Uiso 0.5902(15) calc PR 1
C45B C 0.2985(5) 0.49520(12) 0.6965(3) 0.111(3) Uani 0.5902(15) d PDU 1
H45B H 0.3362 0.4843 0.7118 0.133 Uiso 0.5902(15) calc PR 1
C46B C 0.2971(6) 0.51469(14) 0.6619(3) 0.113(2) Uani 0.5902(15) d PDU 1
H46B H 0.3334 0.5175 0.6527 0.136 Uiso 0.5902(15) calc PR 1
C47B C 0.2434(5) 0.53030(12) 0.6400(3) 0.109(3) Uani 0.5902(15) d PDU 1
H47B H 0.2420 0.5442 0.6154 0.130 Uiso 0.5902(15) calc PR 1
C48B C 0.1900(5) 0.52613(18) 0.6535(3) 0.095(3) Uani 0.5902(15) d PDU 1
H48B H 0.1528 0.5373 0.6378 0.114 Uiso 0.5902(15) calc PR 1
N9A N -0.10626(6) 0.59178(4) 0.68714(8) 0.195(4) Uani 0.5902(15) d PDU 1
C89A C -0.09413(9) 0.60809(4) 0.65371(9) 0.198(4) Uani 0.5902(15) d PDU 1
H89A H -0.0647 0.5995 0.6405 0.238 Uiso 0.5902(15) calc PR 1
C90A C -0.12237(7) 0.63674(5) 0.63746(9) 0.196(4) Uani 0.5902(15) d PDU 1
H90A H -0.1083 0.6496 0.6173 0.235 Uiso 0.5902(15) calc PR 1
C91A C -0.17056(9) 0.64559(4) 0.65154(10) 0.199(4) Uani 0.5902(15) d PDU 1
H91A H -0.1939 0.6641 0.6388 0.239 Uiso 0.5902(15) calc PR 1
C92A C -0.18658(9) 0.62905(5) 0.68309(11) 0.196(4) Uani 0.5902(15) d PDU 1
H92A H -0.2219 0.6351 0.6918 0.235 Uiso 0.5902(15) calc PR 1
C93A C -0.15110(17) 0.60299(9) 0.70287(14) 0.200(4) Uani 0.5902(15) d PDU 1
H93A H -0.1587 0.5929 0.7281 0.240 Uiso 0.5902(15) calc PR 1
N10A N 0.02819(5) 0.21500(4) 0.4933 0.164(3) Uani 0.5902(15) d PDU 1
C94A C 0.06000(5) 0.19837(6) 0.47092(10) 0.175(4) Uani 0.5902(15) d PDU 1
H94A H 0.0381 0.1831 0.4491 0.210 Uiso 0.5902(15) calc PR 1
C95A C 0.12321(7) 0.20234(4) 0.47801(11) 0.175(4) Uani 0.5902(15) d PDU 1
H95A H 0.1459 0.1884 0.4647 0.211 Uiso 0.5902(15) calc PR 1
C96A C 0.15101(6) 0.22676(6) 0.50456(12) 0.171(4) Uani 0.5902(15) d PDU 1
H96A H 0.1930 0.2321 0.5069 0.205 Uiso 0.5902(15) calc PR 1
C97A C 0.12109(6) 0.24381(7) 0.52781(14) 0.160(3) Uani 0.5902(15) d PDU 1
H97A H 0.1413 0.2612 0.5463 0.192 Uiso 0.5902(15) calc PR 1
C98A C 0.06032(11) 0.23581(9) 0.52450(13) 0.154(3) Uani 0.5902(15) d PDU 1
H98A H 0.0411 0.2453 0.5447 0.185 Uiso 0.5902(15) calc PR 1
Na1B Na 0.0000 0.1993(3) 0.7500 0.086(3) Uani 0.4098(15) d SPDU 2
Se25 Se -0.13413(7) 0.23799(6) 0.71443(10) 0.0567(10) Uani 0.4098(15) d PDU 2
C25B C -0.21852(10) 0.22219(11) 0.69258(13) 0.070(3) Uani 0.4098(15) d PDU 2
C26B C -0.2329(2) 0.19340(16) 0.7097(2) 0.074(3) Uani 0.4098(15) d PDU 2
H26B H -0.2011 0.1820 0.7318 0.089 Uiso 0.4098(15) calc PR 2
C27B C -0.2936(3) 0.1813(2) 0.6946(3) 0.076(3) Uani 0.4098(15) d PDU 2
H27B H -0.3033 0.1617 0.7063 0.091 Uiso 0.4098(15) calc PR 2
C28B C -0.3387(5) 0.1977(3) 0.6631(3) 0.078(3) Uani 0.4098(15) d PDU 2
H28B H -0.3800 0.1894 0.6528 0.094 Uiso 0.4098(15) calc PR 2
C29B C -0.3253(4) 0.2256(3) 0.6463(4) 0.076(3) Uani 0.4098(15) d PDU 2
H29B H -0.3576 0.2367 0.6242 0.091 Uiso 0.4098(15) calc PR 2
C30B C -0.2651(5) 0.2382(3) 0.6607(3) 0.069(2) Uani 0.4098(15) d PDU 2
H30B H -0.2564 0.2579 0.6486 0.083 Uiso 0.4098(15) calc PR 2
Se16 Se 0.08901(4) 0.50400(4) 0.84128(8) 0.0298(7) Uani 0.4098(15) d PDU 2
C31A C 0.14723(6) 0.51046(9) 0.90134(18) 0.067(3) Uani 0.4098(15) d PDU 2
C32A C 0.18882(11) 0.53629(16) 0.9108(3) 0.073(3) Uani 0.4098(15) d PDU 2
H32A H 0.1880 0.5508 0.8870 0.087 Uiso 0.4098(15) calc PR 2
C33A C 0.2314(2) 0.5415(2) 0.9539(4) 0.080(3) Uani 0.4098(15) d PDU 2
H33A H 0.2588 0.5593 0.9588 0.096 Uiso 0.4098(15) calc PR 2
C34A C 0.2342(3) 0.5215(2) 0.9889(4) 0.079(3) Uani 0.4098(15) d PDU 2
H34A H 0.2632 0.5250 1.0183 0.095 Uiso 0.4098(15) calc PR 2
C35A C 0.1943(2) 0.4962(2) 0.9806(4) 0.073(3) Uani 0.4098(15) d PDU 2
H35A H 0.1957 0.4820 1.0047 0.088 Uiso 0.4098(15) calc PR 2
C36A C 0.1512(4) 0.4905(3) 0.9375(3) 0.068(3) Uani 0.4098(15) d PDU 2
H36A H 0.1241 0.4726 0.9332 0.081 Uiso 0.4098(15) calc PR 2
Se27 Se 0.01533(5) 0.23657(5) 0.66440(9) 0.0701(8) Uani 0.4098(15) d PDU 2
C37B C 0.03475(6) 0.22291(13) 0.6118(2) 0.078(2) Uani 0.4098(15) d PDU 2
C38B C 0.06472(11) 0.2428(2) 0.5896(3) 0.105(3) Uani 0.4098(15) d PDU 2
H38B H 0.0757 0.2637 0.6011 0.126 Uiso 0.4098(15) calc PR 2
C39B C 0.0794(2) 0.2331(3) 0.5508(4) 0.133(3) Uani 0.4098(15) d PDU 2
H39B H 0.1000 0.2470 0.5359 0.159 Uiso 0.4098(15) calc PR 2
C40B C 0.0630(2) 0.2032(3) 0.5354(5) 0.135(3) Uani 0.4098(15) d PDU 2
H40B H 0.0721 0.1956 0.5092 0.162 Uiso 0.4098(15) calc PR 2
C41B C 0.0339(2) 0.1843(3) 0.5575(4) 0.112(3) Uani 0.4098(15) d PDU 2
H41B H 0.0232 0.1634 0.5457 0.135 Uiso 0.4098(15) calc PR 2
C42B C 0.0183(3) 0.1925(3) 0.5959(4) 0.086(3) Uani 0.4098(15) d PDU 2
H42B H -0.0024 0.1782 0.6103 0.103 Uiso 0.4098(15) calc PR 2
Se18 Se 0.13130(5) 0.48730(6) 0.69971(6) 0.0423(6) Uani 0.4098(15) d PDU 2
C43A C 0.10988(7) 0.53200(17) 0.69630(13) 0.062(3) Uani 0.4098(15) d PDU 2
C44A C 0.07315(13) 0.5447(2) 0.7209(2) 0.075(3) Uani 0.4098(15) d PDU 2
H44A H 0.0579 0.5314 0.7400 0.090 Uiso 0.4098(15) calc PR 2
C45A C 0.0591(2) 0.5771(3) 0.7172(2) 0.085(4) Uani 0.4098(15) d PDU 2
H45A H 0.0340 0.5851 0.7344 0.102 Uiso 0.4098(15) calc PR 2
C46A C 0.0781(3) 0.5976(3) 0.6915(3) 0.084(4) Uani 0.4098(15) d PDU 2
H46A H 0.0672 0.6196 0.6902 0.101 Uiso 0.4098(15) calc PR 2
C47A C 0.1133(2) 0.5857(3) 0.6678(3) 0.078(4) Uani 0.4098(15) d PDU 2
H47A H 0.1280 0.5995 0.6490 0.094 Uiso 0.4098(15) calc PR 2
C48A C 0.1292(4) 0.5533(3) 0.6700(3) 0.071(3) Uani 0.4098(15) d PDU 2
H48A H 0.1544 0.5459 0.6525 0.085 Uiso 0.4098(15) calc PR 2
N9B N 0.12340(11) 0.14961(5) 0.76571(5) 0.093(3) Uani 0.4098(15) d PDU 2
C89B C 0.14586(11) 0.13414(6) 0.80525(5) 0.095(4) Uani 0.4098(15) d PDU 2
H89B H 0.1365 0.1422 0.8311 0.114 Uiso 0.4098(15) calc PR 2
C90B C 0.18202(14) 0.10701(7) 0.81038(5) 0.095(4) Uani 0.4098(15) d PDU 2
H90B H 0.2015 0.0979 0.8395 0.114 Uiso 0.4098(15) calc PR 2
C91B C 0.1884(2) 0.09413(7) 0.77242(6) 0.098(4) Uani 0.4098(15) d PDU 2
H91B H 0.2105 0.0746 0.7744 0.118 Uiso 0.4098(15) calc PR 2
C92B C 0.16437(13) 0.10805(6) 0.73190(6) 0.097(4) Uani 0.4098(15) d PDU 2
H92B H 0.1673 0.0980 0.7051 0.116 Uiso 0.4098(15) calc PR 2
C93B C 0.1353(3) 0.13724(9) 0.72952(8) 0.095(4) Uani 0.4098(15) d PDU 2
H93B H 0.1235 0.1487 0.7017 0.114 Uiso 0.4098(15) calc PR 2
N10B N 0.26545(7) 0.50306(7) 0.65574(7) 0.116(3) Uani 0.4098(15) d PDU 2
C94B C 0.29360(7) 0.52275(9) 0.63427(7) 0.118(3) Uani 0.4098(15) d PDU 2
H94B H 0.2715 0.5290 0.6040 0.142 Uiso 0.4098(15) calc PR 2
C95B C 0.35322(10) 0.53449(9) 0.65393(8) 0.122(3) Uani 0.4098(15) d PDU 2
H95B H 0.3740 0.5465 0.6369 0.146 Uiso 0.4098(15) calc PR 2
C96B C 0.38041(8) 0.52814(9) 0.69816(8) 0.126(4) Uani 0.4098(15) d PDU 2
H96B H 0.4191 0.5381 0.7138 0.151 Uiso 0.4098(15) calc PR 2
C97B C 0.35440(8) 0.50822(11) 0.72073(8) 0.122(3) Uani 0.4098(15) d PDU 2
H97B H 0.3766 0.5020 0.7510 0.147 Uiso 0.4098(15) calc PR 2
C98B C 0.29489(17) 0.49686(17) 0.69950(11) 0.114(3) Uani 0.4098(15) d PDU 2
H98B H 0.2745 0.4844 0.7163 0.137 Uiso 0.4098(15) calc PR 2
N11A N 0.69715(5) 0.28149(4) 0.87878(19) 0.156(3) Uani 0.5902(15) d PDU 1
C111 C 0.73721(6) 0.25808(4) 0.89746(18) 0.154(3) Uani 0.5902(15) d PDU 1
H111 H 0.7801 0.2609 0.9000 0.185 Uiso 0.5902(15) calc PR 1
C112 C 0.71929(6) 0.23006(6) 0.9132(2) 0.157(4) Uani 0.5902(15) d PDU 1
H112 H 0.7485 0.2136 0.9257 0.188 Uiso 0.5902(15) calc PR 1
C113 C 0.65876(8) 0.22720(5) 0.91000(19) 0.156(3) Uani 0.5902(15) d PDU 1
H113 H 0.6455 0.2092 0.9233 0.187 Uiso 0.5902(15) calc PR 1
C114 C 0.61657(7) 0.24896(5) 0.88859(19) 0.155(3) Uani 0.5902(15) d PDU 1
H114 H 0.5735 0.2460 0.8852 0.186 Uiso 0.5902(15) calc PR 1
C115 C 0.63642(7) 0.27588(12) 0.8715(3) 0.155(3) Uani 0.5902(15) d PDU 1
H115 H 0.6064 0.2907 0.8542 0.185 Uiso 0.5902(15) calc PR 1
N11B N 0.69026(8) 0.27470(6) 0.87566(5) 0.156(3) Uani 0.4098(15) d PDU 2
C211 C 0.71754(10) 0.29426(6) 0.91027(6) 0.158(3) Uani 0.4098(15) d PDU 2
H211 H 0.7476 0.3091 0.9067 0.189 Uiso 0.4098(15) calc PR 2
C212 C 0.70416(9) 0.29394(6) 0.95088(7) 0.161(4) Uani 0.4098(15) d PDU 2
H212 H 0.7200 0.3098 0.9735 0.193 Uiso 0.4098(15) calc PR 2
C213 C 0.66770(16) 0.27022(6) 0.95699(7) 0.160(4) Uani 0.4098(15) d PDU 2
H213 H 0.6598 0.2684 0.9853 0.192 Uiso 0.4098(15) calc PR 2
C214 C 0.64216(13) 0.24912(7) 0.92414(7) 0.157(3) Uani 0.4098(15) d PDU 2
H214 H 0.6191 0.2315 0.9297 0.188 Uiso 0.4098(15) calc PR 2
C215 C 0.6498(2) 0.25331(11) 0.88194(9) 0.156(3) Uani 0.4098(15) d PDU 2
H215 H 0.6260 0.2408 0.8570 0.187 Uiso 0.4098(15) calc PR 2
N12A N 0.58329(8) 0.60020(8) 0.55616(5) 0.228(3) Uani 0.5902(15) d PDU 1
C121 C 0.61202(7) 0.61108(10) 0.59811(5) 0.230(4) Uani 0.5902(15) d PDU 1
H121 H 0.5923 0.6080 0.6209 0.276 Uiso 0.5902(15) calc PR 1
C122 C 0.66897(9) 0.62653(11) 0.60991(4) 0.231(4) Uani 0.5902(15) d PDU 1
H122 H 0.6917 0.6310 0.6407 0.278 Uiso 0.5902(15) calc PR 1
C123 C 0.69070(13) 0.63490(11) 0.5758 0.232(4) Uani 0.5902(15) d PDU 1
H123 H 0.7282 0.6470 0.5824 0.279 Uiso 0.5902(15) calc PR 1
C124 C 0.66079(8) 0.6267 0.53280(4) 0.230(4) Uani 0.5902(15) d PDU 1
H124 H 0.6746 0.6344 0.5087 0.276 Uiso 0.5902(15) calc PR 1
C125 C 0.60951(15) 0.60682(11) 0.52398(7) 0.227(4) Uani 0.5902(15) d PDU 1
H125 H 0.5926 0.5977 0.4946 0.272 Uiso 0.5902(15) calc PR 1
N12B N 0.58574(7) 0.59039(3) 0.53501(10) 0.226(3) Uani 0.4098(15) d PDU 2
C221 C 0.59400(9) 0.56613(4) 0.50945(10) 0.224(4) Uani 0.4098(15) d PDU 2
H221 H 0.6262 0.5678 0.4957 0.269 Uiso 0.4098(15) calc PR 2
C222 C 0.55807(8) 0.53883(5) 0.50214(10) 0.223(4) Uani 0.4098(15) d PDU 2
H222 H 0.5616 0.5230 0.4812 0.267 Uiso 0.4098(15) calc PR 2
C223 C 0.51789(11) 0.53573(4) 0.52604(12) 0.222(4) Uani 0.4098(15) d PDU 2
H223 H 0.4956 0.5163 0.5244 0.267 Uiso 0.4098(15) calc PR 2
C224 C 0.50839(10) 0.55930(5) 0.55213(11) 0.225(4) Uani 0.4098(15) d PDU 2
H224 H 0.4763 0.5577 0.5661 0.270 Uiso 0.4098(15) calc PR 2
C225 C 0.5458(2) 0.58606(7) 0.55858(17) 0.226(4) Uani 0.4098(15) d PDU 2
H225 H 0.5430 0.6016 0.5802 0.271 Uiso 0.4098(15) calc PR 2
N13A N 0.56577(6) 0.45361(4) 0.6673(2) 0.184(3) Uani 0.5902(15) d PDU 1
C131 C 0.50385(6) 0.45385(4) 0.6594(3) 0.183(3) Uani 0.5902(15) d PDU 1
H131 H 0.4808 0.4352 0.6471 0.220 Uiso 0.5902(15) calc PR 1
C132 C 0.47190(8) 0.47985(5) 0.6682(3) 0.186(3) Uani 0.5902(15) d PDU 1
H132 H 0.4288 0.4786 0.6658 0.223 Uiso 0.5902(15) calc PR 1
C133 C 0.50454(6) 0.50688(6) 0.6804(4) 0.191(4) Uani 0.5902(15) d PDU 1
H133 H 0.4831 0.5259 0.6832 0.229 Uiso 0.5902(15) calc PR 1
C134 C 0.56642(8) 0.50770(5) 0.6887(3) 0.190(4) Uani 0.5902(15) d PDU 1
H134 H 0.5888 0.5271 0.6968 0.228 Uiso 0.5902(15) calc PR 1
C135 C 0.59735(7) 0.47987(9) 0.6852(4) 0.186(4) Uani 0.5902(15) d PDU 1
H135 H 0.6418 0.4794 0.6958 0.224 Uiso 0.5902(15) calc PR 1
N13B N 0.57434(7) 0.45292(15) 0.6842 0.184(3) Uani 0.4098(15) d PDU 2
C231 C 0.57917(9) 0.45300(13) 0.64217(4) 0.181(3) Uani 0.4098(15) d PDU 2
H231 H 0.6162 0.4447 0.6378 0.217 Uiso 0.4098(15) calc PR 2
C232 C 0.53302(8) 0.46459(14) 0.60481(5) 0.180(4) Uani 0.4098(15) d PDU 2
H232 H 0.5386 0.4656 0.5756 0.216 Uiso 0.4098(15) calc PR 2
C233 C 0.4800 0.47444(11) 0.61166(6) 0.181(3) Uani 0.4098(15) d PDU 2
H233 H 0.4486 0.4843 0.5874 0.217 Uiso 0.4098(15) calc PR 2
C234 C 0.47026(9) 0.47075(16) 0.65181(7) 0.183(3) Uani 0.4098(15) d PDU 2
H234 H 0.4302 0.4748 0.6549 0.219 Uiso 0.4098(15) calc PR 2
C235 C 0.51919(15) 0.4609(2) 0.68873(8) 0.183(3) Uani 0.4098(15) d PDU 2
H235 H 0.5135 0.4598 0.7179 0.220 Uiso 0.4098(15) calc PR 2
N14 N 0.48980(16) 0.24906(5) 0.77271(11) 0.311(4) Uani 0.50 d PDU .
C141 C 0.5008(2) 0.25622(4) 0.73377(12) 0.311(5) Uani 0.50 d PDU .
H141 H 0.4957 0.2777 0.7235 0.373 Uiso 0.50 calc PR .
C142 C 0.5192(3) 0.23393(5) 0.70773(13) 0.311(5) Uani 0.50 d PDU .
H142 H 0.5243 0.2393 0.6793 0.373 Uiso 0.50 calc PR .
C143 C 0.5296(2) 0.20429(5) 0.72452(12) 0.311(5) Uani 0.50 d PDU .
H143 H 0.5388 0.1879 0.7064 0.373 Uiso 0.50 calc PR .
C144 C 0.5274(2) 0.19729(6) 0.76610(13) 0.313(5) Uani 0.50 d PDU .
H144 H 0.5408 0.1770 0.7793 0.375 Uiso 0.50 calc PR .
C145 C 0.5054(5) 0.21992(9) 0.78970(19) 0.311(5) Uani 0.50 d PDU .
H145 H 0.5013 0.2147 0.8185 0.374 Uiso 0.50 calc PR .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Nd1 Se8 89.31(7) . 2_556
N1 Nd1 Se5 91.21(7) . .
Se8 Nd1 Se5 178.09(3) 2_556 .
N1 Nd1 Se2 143.08(5) . .
Se8 Nd1 Se2 84.22(2) 2_556 .
Se5 Nd1 Se2 96.45(2) . .
N1 Nd1 Se14 78.80(7) . 2_556
Se8 Nd1 Se14 84.07(3) 2_556 2_556
Se5 Nd1 Se14 94.23(3) . 2_556
Se2 Nd1 Se14 136.07(3) . 2_556
N1 Nd1 Se12 77.76(7) . .
Se8 Nd1 Se12 98.85(3) 2_556 .
Se5 Nd1 Se12 83.06(3) . .
Se2 Nd1 Se12 67.49(2) . .
Se14 Nd1 Se12 156.33(3) 2_556 .
N1 Nd1 Se4 143.24(6) . 2_556
Se8 Nd1 Se4 93.85(2) 2_556 2_556
Se5 Nd1 Se4 84.64(3) . 2_556
Se2 Nd1 Se4 73.60(2) . 2_556
Se14 Nd1 Se4 65.17(2) 2_556 2_556
Se12 Nd1 Se4 137.35(2) . 2_556
N2 Nd2 Se5 90.93(5) . .
N2 Nd2 Se6 91.30(5) . .
Se5 Nd2 Se6 177.56(3) . .
N2 Nd2 Se1 142.84(4) . .
Se5 Nd2 Se1 83.54(3) . .
Se6 Nd2 Se1 95.26(3) . .
N2 Nd2 Se12 78.77(5) . .
Se5 Nd2 Se12 84.14(3) . .
Se6 Nd2 Se12 95.33(3) . .
Se1 Nd2 Se12 136.53(3) . .
N2 Nd2 Se11 77.27(5) . .
Se5 Nd2 Se11 98.11(3) . .
Se6 Nd2 Se11 83.34(3) . .
Se1 Nd2 Se11 67.29(3) . .
Se12 Nd2 Se11 155.97(3) . .
N2 Nd2 Se2 144.25(4) . .
Se5 Nd2 Se2 93.75(2) . .
Se6 Nd2 Se2 83.86(2) . .
Se1 Nd2 Se2 72.90(2) . .
Se12 Nd2 Se2 66.53(2) . .
Se11 Nd2 Se2 136.64(3) . .
N3 Nd3 Se6 91.97(10) . .
N3 Nd3 Se7 89.26(10) . .
Se6 Nd3 Se7 178.71(3) . .
N3 Nd3 Se3 143.36(9) . .
Se6 Nd3 Se3 83.27(2) . .
Se7 Nd3 Se3 95.94(2) . .
N3 Nd3 Se11 78.65(12) . .
Se6 Nd3 Se11 83.82(3) . .
Se7 Nd3 Se11 96.09(3) . .
Se3 Nd3 Se11 136.23(3) . .
N3 Nd3 Se13 78.48(12) . .
Se6 Nd3 Se13 97.13(3) . .
Se7 Nd3 Se13 83.46(3) . .
Se3 Nd3 Se13 66.22(2) . .
Se11 Nd3 Se13 157.13(3) . .
N3 Nd3 Se1 143.17(9) . .
Se6 Nd3 Se1 93.66(2) . .
Se7 Nd3 Se1 85.14(2) . .
Se3 Nd3 Se1 73.47(2) . .
Se11 Nd3 Se1 65.86(2) . .
Se13 Nd3 Se1 136.51(3) . .
N4 Nd4 Se7 89.29(8) . .
N4 Nd4 Se8 91.84(8) . .
Se7 Nd4 Se8 178.73(3) . .
N4 Nd4 Se4 142.80(7) . .
Se7 Nd4 Se4 83.21(2) . .
Se8 Nd4 Se4 96.22(2) . .
N4 Nd4 Se13 79.36(9) . .
Se7 Nd4 Se13 84.10(3) . .
Se8 Nd4 Se13 95.54(3) . .
Se4 Nd4 Se13 135.38(3) . .
N4 Nd4 Se14 78.58(10) . .
Se7 Nd4 Se14 97.43(3) . .
Se8 Nd4 Se14 83.36(3) . .
Se4 Nd4 Se14 66.47(2) . .
Se13 Nd4 Se14 157.87(3) . .
N4 Nd4 Se3 143.84(8) . .
Se7 Nd4 Se3 93.84(2) . .
Se8 Nd4 Se3 84.91(2) . .
Se4 Nd4 Se3 73.21(2) . .
Se13 Nd4 Se3 65.20(2) . .
Se14 Nd4 Se3 136.28(2) . .
N5 Nd5 Se5 73.89(7) . .
N5 Nd5 Se4 123.30(5) . 2_556
Se5 Nd5 Se4 88.74(3) . 2_556
N5 Nd5 Se27 85.14(5) . .
Se5 Nd5 Se27 122.09(6) . .
Se4 Nd5 Se27 144.47(5) 2_556 .
N5 Nd5 Se25 70.54(9) . 2_556
Se5 Nd5 Se25 134.98(4) . 2_556
Se4 Nd5 Se25 88.40(6) 2_556 2_556
Se27 Nd5 Se25 81.46(7) . 2_556
N5 Nd5 Se10 129.80(7) . .
Se5 Nd5 Se10 156.17(3) . .
Se4 Nd5 Se10 79.65(3) 2_556 .
Se27 Nd5 Se10 65.09(5) . .
Se25 Nd5 Se10 65.96(4) 2_556 .
N5 Nd5 Se17 87.13(6) . .
Se5 Nd5 Se17 99.35(4) . .
Se4 Nd5 Se17 149.52(3) 2_556 .
Se27 Nd5 Se17 24.85(6) . .
Se25 Nd5 Se17 105.43(6) 2_556 .
Se10 Nd5 Se17 81.49(3) . .
N5 Nd5 Se1 144.20(9) . .
Se5 Nd5 Se1 81.22(2) . .
Se4 Nd5 Se1 80.60(2) 2_556 .
Se27 Nd5 Se1 86.80(4) . .
Se25 Nd5 Se1 142.14(5) 2_556 .
Se10 Nd5 Se1 76.42(2) . .
Se17 Nd5 Se1 71.80(3) . .
N5 Nd5 Se15 71.50(9) . 2_556
Se5 Nd5 Se15 133.40(3) . 2_556
Se4 Nd5 Se15 85.07(4) 2_556 2_556
Se27 Nd5 Se15 84.94(6) . 2_556
Se25 Nd5 Se15 3.57(6) 2_556 2_556
Se10 Nd5 Se15 66.67(3) . 2_556
Se17 Nd5 Se15 108.98(4) . 2_556
Se1 Nd5 Se15 142.22(4) . 2_556
N6 Nd6 Se7 73.63(5) . .
N6 Nd6 Se1 123.86(4) . .
Se7 Nd6 Se1 88.89(3) . .
N6 Nd6 Se15 83.75(6) . .
Se7 Nd6 Se15 116.69(3) . .
Se1 Nd6 Se15 148.02(4) . .
N6 Nd6 Se10 130.48(6) . .
Se7 Nd6 Se10 155.64(3) . .
Se1 Nd6 Se10 79.67(2) . .
Se15 Nd6 Se10 69.25(4) . .
N6 Nd6 Se25 87.39(7) . .
Se7 Nd6 Se25 120.21(4) . .
Se1 Nd6 Se25 143.71(5) . .
Se15 Nd6 Se25 4.33(6) . .
Se10 Nd6 Se25 64.97(4) . .
N6 Nd6 Se17 68.41(5) . .
Se7 Nd6 Se17 117.13(3) . .
Se1 Nd6 Se17 74.08(3) . .
Se15 Nd6 Se17 106.88(4) . .
Se10 Nd6 Se17 80.49(3) . .
Se25 Nd6 Se17 106.22(5) . .
N6 Nd6 Se27 74.42(6) . .
Se7 Nd6 Se27 138.60(6) . .
Se1 Nd6 Se27 87.57(4) . .
Se15 Nd6 Se27 84.95(6) . .
Se10 Nd6 Se27 62.89(5) . .
Se25 Nd6 Se27 83.63(6) . .
Se17 Nd6 Se27 23.93(6) . .
N6 Nd6 Se4 143.43(5) . .
Se7 Nd6 Se4 80.78(2) . .
Se1 Nd6 Se4 80.44(2) . .
Se15 Nd6 Se4 84.94(4) . .
Se10 Nd6 Se4 76.17(2) . .
Se25 Nd6 Se4 83.32(5) . .
Se17 Nd6 Se4 148.03(3) . .
Se27 Nd6 Se4 138.79(5) . .
N7 Nd7 Se8 73.01(5) . 2_556
N7 Nd7 Se3 122.47(5) . 2_556
Se8 Nd7 Se3 88.39(2) 2_556 2_556
N7 Nd7 Se18 88.46(6) . .
Se8 Nd7 Se18 101.74(4) 2_556 .
Se3 Nd7 Se18 149.07(4) 2_556 .
N7 Nd7 Se9 130.30(5) . .
Se8 Nd7 Se9 156.66(3) 2_556 .
Se3 Nd7 Se9 79.36(3) 2_556 .
Se18 Nd7 Se9 80.27(3) . .
N7 Nd7 Se28 84.65(5) . .
Se8 Nd7 Se28 112.85(5) 2_556 .
Se3 Nd7 Se28 150.43(4) 2_556 .
Se18 Nd7 Se28 13.63(5) . .
Se9 Nd7 Se28 73.29(4) . .
N7 Nd7 Se26 70.63(6) . .
Se8 Nd7 Se26 132.49(4) 2_556 .
Se3 Nd7 Se26 86.22(5) 2_556 .
Se18 Nd7 Se26 106.72(7) . .
Se9 Nd7 Se26 66.91(3) . .
Se28 Nd7 Se26 93.13(6) . .
N7 Nd7 Se16 71.35(6) . .
Se8 Nd7 Se16 133.64(3) 2_556 .
Se3 Nd7 Se16 86.53(4) 2_556 .
Se18 Nd7 Se16 105.91(6) . .
Se9 Nd7 Se16 65.85(3) . .
Se28 Nd7 Se16 92.30(5) . .
Se26 Nd7 Se16 1.17(6) . .
N7 Nd7 Se2 143.98(6) . .
Se8 Nd7 Se2 81.98(2) 2_556 .
Se3 Nd7 Se2 81.31(2) 2_556 .
Se18 Nd7 Se2 71.48(5) . .
Se9 Nd7 Se2 76.61(2) . .
Se28 Nd7 Se2 81.64(3) . .
Se26 Nd7 Se2 143.03(3) . .
Se16 Nd7 Se2 142.07(3) . .
N8 Nd8 Se6 74.72(5) . .
N8 Nd8 Se2 126.25(4) . .
Se6 Nd8 Se2 87.79(2) . .
N8 Nd8 Se16 83.39(6) . 2_556
Se6 Nd8 Se16 121.16(5) . 2_556
Se2 Nd8 Se16 144.97(5) . 2_556
N8 Nd8 Se18 70.38(6) . .
Se6 Nd8 Se18 116.45(4) . .
Se2 Nd8 Se18 73.43(5) . .
Se16 Nd8 Se18 105.57(5) 2_556 .
N8 Nd8 Se9 129.56(5) . .
Se6 Nd8 Se9 155.57(3) . .
Se2 Nd8 Se9 79.05(3) . .
Se16 Nd8 Se9 66.61(5) 2_556 .
Se18 Nd8 Se9 79.56(4) . .
N8 Nd8 Se26 83.64(6) . 2_556
Se6 Nd8 Se26 120.14(6) . 2_556
Se2 Nd8 Se26 145.33(6) . 2_556
Se16 Nd8 Se26 1.23(6) 2_556 2_556
Se18 Nd8 Se26 106.78(6) . 2_556
Se9 Nd8 Se26 67.23(6) . 2_556
N8 Nd8 Se3 142.19(4) . .
Se6 Nd8 Se3 81.23(2) . .
Se2 Nd8 Se3 80.61(2) . .
Se16 Nd8 Se3 84.67(4) 2_556 .
Se18 Nd8 Se3 147.41(4) . .
Se9 Nd8 Se3 76.41(2) . .
Se26 Nd8 Se3 83.76(4) 2_556 .
N8 Nd8 Se28 70.58(5) . .
Se6 Nd8 Se28 127.46(4) . .
Se2 Nd8 Se28 82.39(3) . .
Se16 Nd8 Se28 92.72(4) 2_556 .
Se18 Nd8 Se28 13.11(4) . .
Se9 Nd8 Se28 71.41(4) . .
Se26 Nd8 Se28 93.94(5) 2_556 .
Se3 Nd8 Se28 145.85(4) . .
Se2 Nd9 Se2 123.94(3) . 2_556
Se2 Nd9 Se4 71.377(19) . 2_556
Se2 Nd9 Se4 140.091(19) 2_556 2_556
Se2 Nd9 Se4 140.090(19) . .
Se2 Nd9 Se4 71.382(19) 2_556 .
Se4 Nd9 Se4 123.10(3) 2_556 .
Se2 Nd9 Se3 77.00(2) . .
Se2 Nd9 Se3 77.51(2) 2_556 .
Se4 Nd9 Se3 140.816(19) 2_556 .
Se4 Nd9 Se3 70.867(19) . .
Se2 Nd9 Se3 77.51(2) . 2_556
Se2 Nd9 Se3 77.00(2) 2_556 2_556
Se4 Nd9 Se3 70.867(19) 2_556 2_556
Se4 Nd9 Se3 140.818(19) . 2_556
Se3 Nd9 Se3 124.00(3) . 2_556
Se2 Nd9 Se1 140.990(18) . 2_556
Se2 Nd9 Se1 70.705(19) 2_556 2_556
Se4 Nd9 Se1 76.83(2) 2_556 2_556
Se4 Nd9 Se1 77.00(2) . 2_556
Se3 Nd9 Se1 140.436(19) . 2_556
Se3 Nd9 Se1 71.051(19) 2_556 2_556
Se2 Nd9 Se1 70.704(19) . .
Se2 Nd9 Se1 140.992(18) 2_556 .
Se4 Nd9 Se1 77.00(2) 2_556 .
Se4 Nd9 Se1 76.83(2) . .
Se3 Nd9 Se1 71.054(19) . .
Se3 Nd9 Se1 140.435(19) 2_556 .
Se1 Nd9 Se1 123.26(3) 2_556 .
Nd6 Se1 Nd2 150.26(3) . .
Nd6 Se1 Nd3 90.34(2) . .
Nd2 Se1 Nd3 77.97(2) . .
Nd6 Se1 Nd5 87.33(2) . .
Nd2 Se1 Nd5 93.71(2) . .
Nd3 Se1 Nd5 158.50(3) . .
Nd6 Se1 Nd9 99.80(2) . .
Nd2 Se1 Nd9 109.69(2) . .
Nd3 Se1 Nd9 106.36(2) . .
Nd5 Se1 Nd9 95.10(2) . .
Nd8 Se2 Nd1 151.47(3) . .
Nd8 Se2 Nd7 87.63(2) . .
Nd1 Se2 Nd7 93.40(2) . .
Nd8 Se2 Nd2 91.29(2) . .
Nd1 Se2 Nd2 77.39(2) . .
Nd7 Se2 Nd2 158.18(3) . .
Nd8 Se2 Nd9 99.14(2) . .
Nd1 Se2 Nd9 109.15(2) . .
Nd7 Se2 Nd9 95.02(2) . .
Nd2 Se2 Nd9 106.66(2) . .
Nd7 Se3 Nd3 152.07(3) 2_556 .
Nd7 Se3 Nd8 87.61(2) 2_556 .
Nd3 Se3 Nd8 93.86(2) . .
Nd7 Se3 Nd4 90.68(2) 2_556 .
Nd3 Se3 Nd4 77.72(2) . .
Nd8 Se3 Nd4 158.09(3) . .
Nd7 Se3 Nd9 98.55(2) 2_556 .
Nd3 Se3 Nd9 109.05(2) . .
Nd8 Se3 Nd9 95.43(2) . .
Nd4 Se3 Nd9 106.42(2) . .
Nd5 Se4 Nd4 150.50(3) 2_556 .
Nd5 Se4 Nd1 90.52(2) 2_556 2_556
Nd4 Se4 Nd1 77.56(2) . 2_556
Nd5 Se4 Nd6 87.46(2) 2_556 .
Nd4 Se4 Nd6 94.05(2) . .
Nd1 Se4 Nd6 158.73(3) 2_556 .
Nd5 Se4 Nd9 99.75(2) 2_556 .
Nd4 Se4 Nd9 109.41(3) . .
Nd1 Se4 Nd9 105.82(2) 2_556 .
Nd6 Se4 Nd9 95.39(2) . .
Nd5 Se5 Nd2 101.52(3) . .
Nd5 Se5 Nd1 95.84(3) . .
Nd2 Se5 Nd1 82.76(3) . .
Nd3 Se6 Nd8 101.63(3) . .
Nd3 Se6 Nd2 83.17(3) . .
Nd8 Se6 Nd2 96.74(2) . .
Nd4 Se7 Nd6 101.93(3) . .
Nd4 Se7 Nd3 83.21(2) . .
Nd6 Se7 Nd3 95.22(2) . .
Nd1 Se8 Nd7 100.38(2) 2_556 2_556
Nd1 Se8 Nd4 83.13(3) 2_556 .
Nd7 Se8 Nd4 95.81(3) 2_556 .
Nd7 Se9 Nd7 160.33(5) 2_556 .
Nd7 Se9 Nd8 88.377(14) 2_556 2_556
Nd7 Se9 Nd8 88.393(14) . 2_556
Nd7 Se9 Nd8 88.392(14) 2_556 .
Nd7 Se9 Nd8 88.374(14) . .
Nd8 Se9 Nd8 160.99(5) 2_556 .
Nd7 Se9 Na1A 99.83(3) 2_556 .
Nd7 Se9 Na1A 99.83(3) . .
Nd8 Se9 Na1A 99.50(3) 2_556 .
Nd8 Se9 Na1A 99.50(3) . .
Nd5 Se10 Nd5 160.21(5) 2_556 .
Nd5 Se10 Nd6 88.259(15) 2_556 2_556
Nd5 Se10 Nd6 88.366(15) . 2_556
Nd5 Se10 Nd6 88.370(15) 2_556 .
Nd5 Se10 Nd6 88.256(15) . .
Nd6 Se10 Nd6 160.27(5) 2_556 .
Nd5 Se10 Na1B 99.90(2) 2_556 .
Nd5 Se10 Na1B 99.89(2) . .
Nd6 Se10 Na1B 99.87(2) 2_556 .
Nd6 Se10 Na1B 99.86(2) . .
C1 Se11 Nd2 113.0(3) . .
C1 Se11 Nd3 113.8(3) . .
Nd2 Se11 Nd3 78.01(2) . .
C6 C1 C2 119.2(8) . .
C6 C1 Se11 122.5(6) . .
C2 C1 Se11 118.3(7) . .
C3 C2 C1 119.7(9) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C4 C3 C2 119.4(10) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C5 C4 C3 121.9(10) . .
C5 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
C4 C5 C6 119.9(10) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C1 C6 C5 119.8(9) . .
C1 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C7 Se12 Nd2 111.4(3) . .
C7 Se12 Nd1 112.6(3) . .
Nd2 Se12 Nd1 77.34(2) . .
C12 C7 C8 120.8(8) . .
C12 C7 Se12 122.3(7) . .
C8 C7 Se12 116.9(7) . .
C7 C8 C9 119.7(10) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C10 C9 C8 117.7(10) . .
C10 C9 H9 121.1 . .
C8 C9 H9 121.1 . .
C11 C10 C9 123.3(11) . .
C11 C10 H10 118.4 . .
C9 C10 H10 118.4 . .
C10 C11 C12 120.2(11) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C7 C12 C11 118.3(9) . .
C7 C12 H12 120.9 . .
C11 C12 H12 120.9 . .
C13 Se13 Nd4 113.7(3) . .
C13 Se13 Nd3 115.6(3) . .
Nd4 Se13 Nd3 77.89(2) . .
C18 C13 C14 118.0(8) . .
C18 C13 Se13 123.1(7) . .
C14 C13 Se13 118.9(7) . .
C15 C14 C13 120.8(9) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C16 C15 C14 118.5(11) . .
C16 C15 H15 120.8 . .
C14 C15 H15 120.8 . .
C17 C16 C15 120.2(11) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 119.7(11) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C13 C18 C17 120.0(10) . .
C13 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C19 Se14 Nd1 114.5(3) . 2_556
C19 Se14 Nd4 113.0(3) . .
Nd1 Se14 Nd4 77.87(2) 2_556 .
C24 C19 C20 119.1(7) . .
C24 C19 Se14 122.5(6) . .
C20 C19 Se14 118.3(6) . .
C21 C20 C19 120.9(9) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C22 C21 C20 119.2(9) . .
C22 C21 H21 120.4 . .
C20 C21 H21 120.4 . .
C23 C22 C21 120.6(9) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C22 C23 C24 120.8(9) . .
C22 C23 H23 119.6 . .
C24 C23 H23 119.6 . .
C19 C24 C23 119.3(8) . .
C19 C24 H24 120.4 . .
C23 C24 H24 120.4 . .
C53 N1 C49 117.61(11) . .
C53 N1 Nd1 122.29(9) . .
C49 N1 Nd1 119.78(8) . .
N1 C49 C50 123.30(10) . .
N1 C49 H49 118.4 . .
C50 C49 H49 118.4 . .
C51 C50 C49 116.93(10) . .
C51 C50 H50 121.5 . .
C49 C50 H50 121.5 . .
C52 C51 C50 121.63(12) . .
C52 C51 H51 119.2 . .
C50 C51 H51 119.2 . .
C51 C52 C53 119.09(11) . .
C51 C52 H52 120.5 . .
C53 C52 H52 120.5 . .
N1 C53 C52 121.19(12) . .
N1 C53 H53 119.4 . .
C52 C53 H53 119.4 . .
C58 N2 C54 117.62(11) . .
C58 N2 Nd2 122.44(10) . .
C54 N2 Nd2 119.94(9) . .
N2 C54 C55 123.30(10) . .
N2 C54 H54 118.4 . .
C55 C54 H54 118.4 . .
C56 C55 C54 116.92(10) . .
C56 C55 H55 121.5 . .
C54 C55 H55 121.5 . .
C57 C56 C55 121.67(11) . .
C57 C56 H56 119.2 . .
C55 C56 H56 119.2 . .
C56 C57 C58 119.11(11) . .
C56 C57 H57 120.4 . .
C58 C57 H57 120.4 . .
N2 C58 C57 121.17(12) . .
N2 C58 H58 119.4 . .
C57 C58 H58 119.4 . .
C63 N3 C59 117.58(10) . .
C63 N3 Nd3 121.67(12) . .
C59 N3 Nd3 120.59(9) . .
N3 C59 C60 123.30(10) . .
N3 C59 H59 118.3 . .
C60 C59 H59 118.3 . .
C61 C60 C59 116.95(10) . .
C61 C60 H60 121.5 . .
C59 C60 H60 121.5 . .
C62 C61 C60 121.66(11) . .
C62 C61 H61 119.2 . .
C60 C61 H61 119.2 . .
C61 C62 C63 119.06(12) . .
C61 C62 H62 120.5 . .
C63 C62 H62 120.5 . .
N3 C63 C62 121.12(12) . .
N3 C63 H63 119.4 . .
C62 C63 H63 119.4 . .
C68 N4 C64 117.56(10) . .
C68 N4 Nd4 121.94(10) . .
C64 N4 Nd4 120.45(9) . .
N4 C64 C65 123.32(10) . .
N4 C64 H64 118.3 . .
C65 C64 H64 118.3 . .
C66 C65 C64 116.91(10) . .
C66 C65 H65 121.5 . .
C64 C65 H65 121.5 . .
C67 C66 C65 121.52(11) . .
C67 C66 H66 119.2 . .
C65 C66 H66 119.2 . .
C66 C67 C68 118.94(12) . .
C66 C67 H67 120.5 . .
C68 C67 H67 120.5 . .
N4 C68 C67 121.05(13) . .
N4 C68 H68 119.5 . .
C67 C68 H68 119.5 . .
C73 N5 C69 117.53(10) . .
C73 N5 Nd5 126.48(9) . .
C69 N5 Nd5 115.99(10) . .
N5 C69 C70 123.23(10) . .
N5 C69 H69 118.4 . .
C70 C69 H69 118.4 . .
C71 C70 C69 116.93(10) . .
C71 C70 H70 121.5 . .
C69 C70 H70 121.5 . .
C72 C71 C70 121.62(11) . .
C72 C71 H71 119.2 . .
C70 C71 H71 119.2 . .
C71 C72 C73 119.12(12) . .
C71 C72 H72 120.4 . .
C73 C72 H72 120.4 . .
N5 C73 C72 121.21(12) . .
N5 C73 H73 119.4 . .
C72 C73 H73 119.4 . .
C78 N6 C74 117.59(10) . .
C78 N6 Nd6 127.56(12) . .
C74 N6 Nd6 114.22(11) . .
N6 C74 C75 123.30(10) . .
N6 C74 H74 118.4 . .
C75 C74 H74 118.4 . .
C76 C75 C74 116.90(10) . .
C76 C75 H75 121.5 . .
C74 C75 H75 121.5 . .
C77 C76 C75 121.59(11) . .
C77 C76 H76 119.2 . .
C75 C76 H76 119.2 . .
C76 C77 C78 119.12(12) . .
C76 C77 H77 120.4 . .
C78 C77 H77 120.4 . .
N6 C78 C77 121.22(12) . .
N6 C78 H78 119.4 . .
C77 C78 H78 119.4 . .
C83 N7 C79 117.55(11) . .
C83 N7 Nd7 125.54(11) . .
C79 N7 Nd7 116.73(10) . .
N7 C79 C80 123.29(10) . .
N7 C79 H79 118.4 . .
C80 C79 H79 118.4 . .
C81 C80 C79 116.94(10) . .
C81 C80 H80 121.5 . .
C79 C80 H80 121.5 . .
C82 C81 C80 121.65(11) . .
C82 C81 H81 119.2 . .
C80 C81 H81 119.2 . .
C81 C82 C83 119.19(11) . .
C81 C82 H82 120.4 . .
C83 C82 H82 120.4 . .
N7 C83 C82 121.24(12) . .
N7 C83 H83 119.4 . .
C82 C83 H83 119.4 . .
C88 N8 C84 117.57(11) . .
C88 N8 Nd8 128.27(11) . .
C84 N8 Nd8 113.61(10) . .
N8 C84 C85 123.31(10) . .
N8 C84 H84 118.3 . .
C85 C84 H84 118.3 . .
C86 C85 C84 116.96(10) . .
C86 C85 H85 121.5 . .
C84 C85 H85 121.5 . .
C87 C86 C85 121.68(11) . .
C87 C86 H86 119.2 . .
C85 C86 H86 119.2 . .
C86 C87 C88 119.18(11) . .
C86 C87 H87 120.4 . .
C88 C87 H87 120.4 . .
N8 C88 C87 121.25(12) . .
N8 C88 H88 119.4 . .
C87 C88 H88 119.4 . .
Se9 Na1A Se26 62.50(18) . 2_556
Se9 Na1A Se26 62.50(18) . .
Se26 Na1A Se26 125.0(4) 2_556 .
Se9 Na1A N9A 130.18(15) . 2_556
Se26 Na1A N9A 158.7(2) 2_556 2_556
Se26 Na1A N9A 70.39(6) . 2_556
Se9 Na1A N9A 130.18(15) . .
Se26 Na1A N9A 70.39(6) 2_556 .
Se26 Na1A N9A 158.7(2) . .
N9A Na1A N9A 99.6(3) 2_556 .
C25A Se15 Nd6 112.79(14) . .
C25A Se15 Nd5 114.99(9) . 2_556
Nd6 Se15 Nd5 86.40(4) . 2_556
C30A C25A C26A 117.7(5) . .
C30A C25A Se15 121.8(5) . .
C26A C25A Se15 120.4(3) . .
C25A C26A C27A 121.0(6) . .
C25A C26A H26A 119.5 . .
C27A C26A H26A 119.5 . .
C28A C27A C26A 120.3(8) . .
C28A C27A H27A 119.8 . .
C26A C27A H27A 119.8 . .
C29A C28A C27A 119.8(9) . .
C29A C28A H28A 120.1 . .
C27A C28A H28A 120.1 . .
C28A C29A C30A 121.6(9) . .
C28A C29A H29A 119.2 . .
C30A C29A H29A 119.2 . .
C25A C30A C29A 119.6(9) . .
C25A C30A H30A 120.2 . .
C29A C30A H30A 120.2 . .
C31B Se26 Nd8 123.45(19) . 2_556
C31B Se26 Nd7 117.19(7) . .
Nd8 Se26 Nd7 87.10(6) 2_556 .
C31B Se26 Na1A 131.8(2) . .
Nd8 Se26 Na1A 93.13(13) 2_556 .
Nd7 Se26 Na1A 92.52(15) . .
C36B C31B C32B 122.0(5) . .
C36B C31B Se26 119.7(5) . .
C32B C31B Se26 118.3(4) . .
C31B C32B C33B 117.9(8) . .
C31B C32B H32B 121.0 . .
C33B C32B H32B 121.0 . .
C34B C33B C32B 119.0(8) . .
C34B C33B H33B 120.5 . .
C32B C33B H33B 120.5 . .
C35B C34B C33B 122.6(8) . .
C35B C34B H34B 118.7 . .
C33B C34B H34B 118.7 . .
C34B C35B C36B 119.7(10) . .
C34B C35B H35B 120.2 . .
C36B C35B H35B 120.2 . .
C31B C36B C35B 118.8(10) . .
C31B C36B H36B 120.6 . .
C35B C36B H36B 120.6 . .
C37A Se17 Nd5 115.42(16) . .
C37A Se17 Nd6 102.75(10) . .
Nd5 Se17 Nd6 86.79(4) . .
C42A C37A C38A 119.9(7) . .
C42A C37A Se17 122.1(5) . .
C38A C37A Se17 118.0(6) . .
C39A C38A C37A 119.2(8) . .
C39A C38A H38A 120.4 . .
C37A C38A H38A 120.4 . .
C40A C39A C38A 120.7(8) . .
C40A C39A H39A 119.7 . .
C38A C39A H39A 119.7 . .
C41A C40A C39A 120.6(10) . .
C41A C40A H40A 119.7 . .
C39A C40A H40A 119.7 . .
C40A C41A C42A 120.9(11) . .
C40A C41A H41A 119.5 . .
C42A C41A H41A 119.5 . .
C37A C42A C41A 118.6(9) . .
C37A C42A H42A 120.7 . .
C41A C42A H42A 120.7 . .
C43B Se28 Nd7 114.20(12) . .
C43B Se28 Nd8 122.57(9) . .
Nd7 Se28 Nd8 86.02(4) . .
C48B C43B C44B 117.1(8) . .
C48B C43B Se28 122.5(6) . .
C44B C43B Se28 120.3(4) . .
C43B C44B C45B 119.8(6) . .
C43B C44B H44B 120.1 . .
C45B C44B H44B 120.1 . .
C46B C45B C44B 121.8(9) . .
C46B C45B H45B 119.1 . .
C44B C45B H45B 119.1 . .
C45B C46B C47B 119.2(11) . .
C45B C46B H46B 120.4 . .
C47B C46B H46B 120.4 . .
C46B C47B C48B 120.4(9) . .
C46B C47B H47B 119.8 . .
C48B C47B H47B 119.8 . .
C43B C48B C47B 121.6(10) . .
C43B C48B H48B 119.2 . .
C47B C48B H48B 119.2 . .
C93A N9A C89A 117.44(10) . .
C93A N9A Na1A 119.92(13) . .
C89A N9A Na1A 119.86(10) . .
N9A C89A C90A 123.10(10) . .
N9A C89A H89A 118.4 . .
C90A C89A H89A 118.4 . .
C91A C90A C89A 116.78(10) . .
C91A C90A H90A 121.6 . .
C89A C90A H90A 121.6 . .
C92A C91A C90A 121.52(11) . .
C92A C91A H91A 119.2 . .
C90A C91A H91A 119.2 . .
C91A C92A C93A 119.06(11) . .
C91A C92A H92A 120.5 . .
C93A C92A H92A 120.5 . .
N9A C93A C92A 121.10(12) . .
N9A C93A H93A 119.5 . .
C92A C93A H93A 119.5 . .
C98A N10A C94A 117.33(10) . .
N10A C94A C95A 123.09(10) . .
N10A C94A H94A 118.5 . .
C95A C94A H94A 118.5 . .
C96A C95A C94A 116.80(10) . .
C96A C95A H95A 121.6 . .
C94A C95A H95A 121.6 . .
C97A C96A C95A 121.49(11) . .
C97A C96A H96A 119.3 . .
C95A C96A H96A 119.3 . .
C96A C97A C98A 118.91(11) . .
C96A C97A H97A 120.5 . .
C98A C97A H97A 120.5 . .
N10A C98A C97A 120.92(13) . .
N10A C98A H98A 119.5 . .
C97A C98A H98A 119.5 . .
Se10 Na1B Se27 60.61(18) . 2_556
Se10 Na1B Se27 60.61(18) . .
Se27 Na1B Se27 121.2(4) 2_556 .
Se10 Na1B Se25 60.55(17) . 2_556
Se27 Na1B Se25 78.81(17) 2_556 2_556
Se27 Na1B Se25 73.23(15) . 2_556
Se10 Na1B Se25 60.55(17) . .
Se27 Na1B Se25 73.23(15) 2_556 .
Se27 Na1B Se25 78.81(17) . .
Se25 Na1B Se25 121.1(3) 2_556 .
Se10 Na1B N9B 128.07(15) . 2_556
Se27 Na1B N9B 97.23(6) 2_556 2_556
Se27 Na1B N9B 118.65(6) . 2_556
Se25 Na1B N9B 167.2(2) 2_556 2_556
Se25 Na1B N9B 68.35(6) . 2_556
Se10 Na1B N9B 128.07(15) . .
Se27 Na1B N9B 118.65(6) 2_556 .
Se27 Na1B N9B 97.23(6) . .
Se25 Na1B N9B 68.35(6) 2_556 .
Se25 Na1B N9B 167.2(2) . .
N9B Na1B N9B 103.9(3) 2_556 .
C25B Se25 Nd5 117.85(12) . 2_556
C25B Se25 Nd6 119.23(17) . .
Nd5 Se25 Nd6 87.42(6) 2_556 .
C25B Se25 Na1B 130.4(2) . .
Nd5 Se25 Na1B 96.57(13) 2_556 .
Nd6 Se25 Na1B 95.32(13) . .
C30B C25B C26B 118.8(6) . .
C30B C25B Se25 122.2(6) . .
C26B C25B Se25 119.0(3) . .
C27B C26B C25B 120.3(6) . .
C27B C26B H26B 119.8 . .
C25B C26B H26B 119.8 . .
C28B C27B C26B 119.6(9) . .
C28B C27B H27B 120.2 . .
C26B C27B H27B 120.2 . .
C27B C28B C29B 120.7(10) . .
C27B C28B H28B 119.7 . .
C29B C28B H28B 119.7 . .
C28B C29B C30B 121.0(10) . .
C28B C29B H29B 119.5 . .
C30B C29B H29B 119.5 . .
C25B C30B C29B 119.6(11) . .
C25B C30B H30B 120.2 . .
C29B C30B H30B 120.2 . .
C31A Se16 Nd8 110.63(16) . 2_556
C31A Se16 Nd7 112.05(8) . .
Nd8 Se16 Nd7 86.96(5) 2_556 .
C36A C31A C32A 115.5(6) . .
C36A C31A Se16 123.3(5) . .
C32A C31A Se16 121.2(5) . .
C33A C32A C31A 122.3(8) . .
C33A C32A H32A 118.8 . .
C31A C32A H32A 118.8 . .
C34A C33A C32A 120.9(8) . .
C34A C33A H33A 119.5 . .
C32A C33A H33A 119.5 . .
C33A C34A C35A 117.9(9) . .
C33A C34A H34A 121.0 . .
C35A C34A H34A 121.0 . .
C34A C35A C36A 122.1(11) . .
C34A C35A H35A 118.9 . .
C36A C35A H35A 118.9 . .
C31A C36A C35A 121.3(10) . .
C31A C36A H36A 119.4 . .
C35A C36A H36A 119.4 . .
C37B Se27 Nd5 109.58(14) . .
C37B Se27 Nd6 120.97(12) . .
Nd5 Se27 Nd6 86.73(6) . .
C37B Se27 Na1B 132.6(2) . .
Nd5 Se27 Na1B 99.84(15) . .
Nd6 Se27 Na1B 96.37(14) . .
C42B C37B C38B 120.2(9) . .
C42B C37B Se27 118.4(6) . .
C38B C37B Se27 121.3(6) . .
C37B C38B C39B 122.0(8) . .
C37B C38B H38B 119.0 . .
C39B C38B H38B 119.0 . .
C40B C39B C38B 117.5(9) . .
C40B C39B H39B 121.2 . .
C38B C39B H39B 121.2 . .
C41B C40B C39B 119.4(12) . .
C41B C40B H40B 120.3 . .
C39B C40B H40B 120.3 . .
C40B C41B C42B 125.7(12) . .
C40B C41B H41B 117.1 . .
C42B C41B H41B 117.2 . .
C37B C42B C41B 115.1(11) . .
C37B C42B H42B 122.4 . .
C41B C42B H42B 122.4 . .
C43A Se18 Nd7 115.49(15) . .
C43A Se18 Nd8 103.03(7) . .
Nd7 Se18 Nd8 88.78(5) . .
C48A C43A C44A 115.3(8) . .
C48A C43A Se18 123.2(6) . .
C44A C43A Se18 121.5(6) . .
C43A C44A C45A 119.1(7) . .
C43A C44A H44A 120.5 . .
C45A C44A H44A 120.5 . .
C46A C45A C44A 125.2(8) . .
C46A C45A H45A 117.4 . .
C44A C45A H45A 117.4 . .
C45A C46A C47A 116.2(11) . .
C45A C46A H46A 121.9 . .
C47A C46A H46A 121.9 . .
C46A C47A C48A 121.6(12) . .
C46A C47A H47A 119.2 . .
C48A C47A H47A 119.2 . .
C43A C48A C47A 122.6(11) . .
C43A C48A H48A 118.7 . .
C47A C48A H48A 118.7 . .
C93B N9B C89B 117.46(11) . .
C93B N9B Na1B 119.27(16) . .
C89B N9B Na1B 119.36(12) . .
N9B C89B C90B 123.19(10) . .
N9B C89B H89B 118.4 . .
C90B C89B H89B 118.4 . .
C91B C90B C89B 116.88(10) . .
C91B C90B H90B 121.6 . .
C89B C90B H90B 121.6 . .
C92B C91B C90B 121.57(11) . .
C92B C91B H91B 119.2 . .
C90B C91B H91B 119.2 . .
C91B C92B C93B 119.02(12) . .
C91B C92B H92B 120.5 . .
C93B C92B H92B 120.5 . .
N9B C93B C92B 121.07(13) . .
N9B C93B H93B 119.5 . .
C92B C93B H93B 119.5 . .
C98B N10B C94B 117.52(11) . .
N10B C94B C95B 123.20(10) . .
N10B C94B H94B 118.4 . .
C95B C94B H94B 118.4 . .
C96B C95B C94B 116.83(10) . .
C96B C95B H95B 121.6 . .
C94B C95B H95B 121.6 . .
C97B C96B C95B 121.53(12) . .
C97B C96B H96B 119.2 . .
C95B C96B H96B 119.2 . .
C96B C97B C98B 119.05(11) . .
C96B C97B H97B 120.5 . .
C98B C97B H97B 120.5 . .
N10B C98B C97B 121.16(12) . .
N10B C98B H98B 119.4 . .
C97B C98B H98B 119.4 . .
C115 N11A C111 117.43(11) . .
N11A C111 C112 123.17(10) . .
N11A C111 H111 118.4 . .
C112 C111 H111 118.4 . .
C113 C112 C111 116.90(10) . .
C113 C112 H112 121.6 . .
C111 C112 H112 121.6 . .
C114 C113 C112 121.62(12) . .
C114 C113 H113 119.2 . .
C112 C113 H113 119.2 . .
C113 C114 C115 119.05(11) . .
C113 C114 H114 120.5 . .
C115 C114 H114 120.5 . .
N11A C115 C114 121.06(13) . .
N11A C115 H115 119.5 . .
C114 C115 H115 119.5 . .
C215 N11B C211 117.41(11) . .
N11B C211 C212 123.17(10) . .
N11B C211 H211 118.4 . .
C212 C211 H211 118.4 . .
C213 C212 C211 116.86(11) . .
C213 C212 H212 121.6 . .
C211 C212 H212 121.6 . .
C214 C213 C212 121.53(11) . .
C214 C213 H213 119.2 . .
C212 C213 H213 119.2 . .
C213 C214 C215 118.95(12) . .
C213 C214 H214 120.5 . .
C215 C214 H214 120.5 . .
N11B C215 C214 120.99(12) . .
N11B C215 H215 119.5 . .
C214 C215 H215 119.5 . .
C125 N12A C121 117.39(11) . .
N12A C121 C122 123.09(10) . .
N12A C121 H121 118.5 . .
C122 C121 H121 118.5 . .
C123 C122 C121 116.80(10) . .
C123 C122 H122 121.6 . .
C121 C122 H122 121.6 . .
C124 C123 C122 121.48(11) . .
C124 C123 H123 119.3 . .
C122 C123 H123 119.3 . .
C123 C124 C125 118.93(11) . .
C123 C124 H124 120.5 . .
C125 C124 H124 120.5 . .
N12A C125 C124 120.99(13) . .
N12A C125 H125 119.5 . .
C124 C125 H125 119.5 . .
C225 N12B C221 117.43(11) . .
N12B C221 C222 123.16(10) . .
N12B C221 H221 118.4 . .
C222 C221 H221 118.4 . .
C223 C222 C221 116.86(11) . .
C223 C222 H222 121.6 . .
C221 C222 H222 121.6 . .
C224 C223 C222 121.58(11) . .
C224 C223 H223 119.2 . .
C222 C223 H223 119.2 . .
C223 C224 C225 119.03(11) . .
C223 C224 H224 120.5 . .
C225 C224 H224 120.5 . .
N12B C225 C224 121.05(13) . .
N12B C225 H225 119.5 . .
C224 C225 H225 119.5 . .
C135 N13A C131 117.38(12) . .
N13A C131 C132 123.12(11) . .
N13A C131 H131 118.4 . .
C132 C131 H131 118.4 . .
C133 C132 C131 116.85(12) . .
C133 C132 H132 121.6 . .
C131 C132 H132 121.6 . .
C134 C133 C132 121.52(11) . .
C134 C133 H133 119.2 . .
C132 C133 H133 119.2 . .
C133 C134 C135 118.95(12) . .
C133 C134 H134 120.5 . .
C135 C134 H134 120.5 . .
N13A C135 C134 120.97(14) . .
N13A C135 H135 119.5 . .
C134 C135 H135 119.5 . .
C235 N13B C231 117.49(10) . .
N13B C231 C232 123.17(11) . .
N13B C231 H231 118.4 . .
C232 C231 H231 118.4 . .
C233 C232 C231 116.82(10) . .
C233 C232 H232 121.6 . .
C231 C232 H232 121.6 . .
C234 C233 C232 121.52(12) . .
C234 C233 H233 119.2 . .
C232 C233 H233 119.2 . .
C233 C234 C235 119.01(11) . .
C233 C234 H234 120.5 . .
C235 C234 H234 120.5 . .
N13B C235 C234 121.08(12) . .
N13B C235 H235 119.5 . .
C234 C235 H235 119.5 . .
C145 N14 C141 117.46(12) . .
N14 C141 C142 123.15(11) . .
N14 C141 H141 118.4 . .
C142 C141 H141 118.4 . .
C143 C142 C141 116.82(11) . .
C143 C142 H142 121.6 . .
C141 C142 H142 121.6 . .
C144 C143 C142 121.53(12) . .
C144 C143 H143 119.2 . .
C142 C143 H143 119.2 . .
C143 C144 C145 119.02(12) . .
C143 C144 H144 120.5 . .
C145 C144 H144 120.5 . .
N14 C145 C144 121.08(12) . .
N14 C145 H145 119.5 . .
C144 C145 H145 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 N1 2.5491(16) .
Nd1 Se8 2.8708(9) 2_556
Nd1 Se5 2.8880(10) .
Nd1 Se2 2.9831(8) .
Nd1 Se14 3.0297(10) 2_556
Nd1 Se12 3.0788(10) .
Nd1 Se4 3.1136(8) 2_556
Nd2 N2 2.546(2) .
Nd2 Se5 2.8810(9) .
Nd2 Se6 2.9014(9) .
Nd2 Se1 2.9873(9) .
Nd2 Se12 3.0244(10) .
Nd2 Se11 3.0375(10) .
Nd2 Se2 3.1149(8) .
Nd3 N3 2.5714(13) .
Nd3 Se6 2.8658(10) .
Nd3 Se7 2.8876(9) .
Nd3 Se3 2.9949(8) .
Nd3 Se11 3.0440(10) .
Nd3 Se13 3.0567(10) .
Nd3 Se1 3.0959(8) .
Nd4 N4 2.5734(18) .
Nd4 Se7 2.8761(9) .
Nd4 Se8 2.8895(9) .
Nd4 Se4 2.9858(8) .
Nd4 Se13 3.0318(11) .
Nd4 Se14 3.0517(11) .
Nd4 Se3 3.1034(8) .
Nd5 N5 2.6361(16) .
Nd5 Se5 2.8768(10) .
Nd5 Se4 2.9066(9) 2_556
Nd5 Se27 2.9455(19) .
Nd5 Se25 2.981(3) 2_556
Nd5 Se10 2.9874(5) .
Nd5 Se17 3.0052(12) .
Nd5 Se1 3.1233(8) .
Nd5 Se15 3.1467(19) 2_556
Nd6 N6 2.6498(16) .
Nd6 Se7 2.8786(9) .
Nd6 Se1 2.9061(9) .
Nd6 Se15 2.9407(18) .
Nd6 Se10 2.9960(5) .
Nd6 Se25 3.053(3) .
Nd6 Se17 3.0583(11) .
Nd6 Se27 3.1190(17) .
Nd6 Se4 3.1224(9) .
Nd7 N7 2.6313(14) .
Nd7 Se8 2.8872(9) 2_556
Nd7 Se3 2.9205(8) 2_556
Nd7 Se18 2.963(2) .
Nd7 Se9 2.9842(5) .
Nd7 Se28 2.9940(14) .
Nd7 Se26 3.044(3) .
Nd7 Se16 3.065(2) .
Nd7 Se2 3.0938(8) .
Nd8 N8 2.6623(17) .
Nd8 Se6 2.8785(9) .
Nd8 Se2 2.9242(8) .
Nd8 Se16 2.9933(16) 2_556
Nd8 Se18 2.9954(16) .
Nd8 Se9 2.9962(5) .
Nd8 Se26 3.0070(19) 2_556
Nd8 Se3 3.0993(9) .
Nd8 Se28 3.1154(15) .
Nd9 Se2 3.1301(8) .
Nd9 Se2 3.1301(8) 2_556
Nd9 Se4 3.1323(8) 2_556
Nd9 Se4 3.1324(8) .
Nd9 Se3 3.1326(7) .
Nd9 Se3 3.1327(7) 2_556
Nd9 Se1 3.1382(8) 2_556
Nd9 Se1 3.1384(8) .
Se3 Nd7 2.9205(8) 2_556
Se4 Nd5 2.9063(9) 2_556
Se4 Nd1 3.1137(8) 2_556
Se8 Nd1 2.8708(9) 2_556
Se8 Nd7 2.8875(9) 2_556
Se9 Nd7 2.9841(5) 2_556
Se9 Nd8 2.9960(5) 2_556
Se9 Na1A 3.049(11) .
Se10 Nd5 2.9873(5) 2_556
Se10 Nd6 2.9959(5) 2_556
Se10 Na1B 3.141(11) .
Se11 C1 1.932(8) .
C1 C6 1.374(10) .
C1 C2 1.409(10) .
C2 C3 1.392(10) .
C2 H2 0.9500 .
C3 C4 1.356(11) .
C3 H3 0.9500 .
C4 C5 1.352(11) .
C4 H4 0.9500 .
C5 C6 1.400(10) .
C5 H5 0.9500 .
C6 H6 0.9500 .
Se12 C7 1.932(8) .
C7 C12 1.366(11) .
C7 C8 1.395(10) .
C8 C9 1.416(11) .
C8 H8 0.9500 .
C9 C10 1.349(12) .
C9 H9 0.9500 .
C10 C11 1.345(11) .
C10 H10 0.9500 .
C11 C12 1.411(10) .
C11 H11 0.9500 .
C12 H12 0.9500 .
Se13 C13 1.922(8) .
C13 C18 1.365(11) .
C13 C14 1.392(10) .
C14 C15 1.389(11) .
C14 H14 0.9500 .
C15 C16 1.347(12) .
C15 H15 0.9500 .
C16 C17 1.344(12) .
C16 H16 0.9500 .
C17 C18 1.391(11) .
C17 H17 0.9500 .
C18 H18 0.9500 .
Se14 C19 1.924(7) .
Se14 Nd1 3.0298(10) 2_556
C19 C24 1.370(10) .
C19 C20 1.402(10) .
C20 C21 1.380(10) .
C20 H20 0.9500 .
C21 C22 1.367(11) .
C21 H21 0.9500 .
C22 C23 1.362(11) .
C22 H22 0.9500 .
C23 C24 1.398(10) .
C23 H23 0.9500 .
C24 H24 0.9500 .
N1 C53 1.3337(13) .
N1 C49 1.3363(10) .
C49 C50 1.3792(11) .
C49 H49 0.9500 .
C50 C51 1.3398(11) .
C50 H50 0.9500 .
C51 C52 1.3348(11) .
C51 H51 0.9500 .
C52 C53 1.3795(15) .
C52 H52 0.9500 .
C53 H53 0.9500 .
N2 C58 1.3338(13) .
N2 C54 1.3363(10) .
C54 C55 1.3792(12) .
C54 H54 0.9500 .
C55 C56 1.3397(11) .
C55 H55 0.9500 .
C56 C57 1.3347(11) .
C56 H56 0.9500 .
C57 C58 1.3795(15) .
C57 H57 0.9500 .
C58 H58 0.9500 .
N3 C63 1.3339(13) .
N3 C59 1.3363(10) .
C59 C60 1.3791(11) .
C59 H59 0.9500 .
C60 C61 1.3397(11) .
C60 H60 0.9500 .
C61 C62 1.3348(11) .
C61 H61 0.9500 .
C62 C63 1.3796(15) .
C62 H62 0.9500 .
C63 H63 0.9500 .
N4 C68 1.3339(13) .
N4 C64 1.3364(10) .
C64 C65 1.3793(12) .
C64 H64 0.9500 .
C65 C66 1.3400(11) .
C65 H65 0.9500 .
C66 C67 1.3351(11) .
C66 H66 0.9500 .
C67 C68 1.3799(15) .
C67 H67 0.9500 .
C68 H68 0.9500 .
N5 C73 1.3338(13) .
N5 C69 1.3365(9) .
C69 C70 1.3793(11) .
C69 H69 0.9500 .
C70 C71 1.3398(11) .
C70 H70 0.9500 .
C71 C72 1.3348(11) .
C71 H71 0.9500 .
C72 C73 1.3794(15) .
C72 H72 0.9500 .
C73 H73 0.9500 .
N6 C78 1.3337(14) .
N6 C74 1.3363(10) .
C74 C75 1.3792(11) .
C74 H74 0.9500 .
C75 C76 1.3399(11) .
C75 H75 0.9500 .
C76 C77 1.3348(11) .
C76 H76 0.9500 .
C77 C78 1.3794(15) .
C77 H77 0.9500 .
C78 H78 0.9500 .
N7 C83 1.3338(13) .
N7 C79 1.3364(10) .
C79 C80 1.3792(12) .
C79 H79 0.9500 .
C80 C81 1.3398(11) .
C80 H80 0.9500 .
C81 C82 1.3347(11) .
C81 H81 0.9500 .
C82 C83 1.3793(15) .
C82 H82 0.9500 .
C83 H83 0.9500 .
N8 C88 1.3337(13) .
N8 C84 1.3364(10) .
C84 C85 1.3792(12) .
C84 H84 0.9500 .
C85 C86 1.3397(11) .
C85 H85 0.9500 .
C86 C87 1.3346(11) .
C86 H86 0.9500 .
C87 C88 1.3793(15) .
C87 H87 0.9500 .
C88 H88 0.9500 .
Na1A Se26 3.339(6) 2_556
Na1A Se26 3.339(6) .
Na1A N9A 3.363(7) 2_556
Na1A N9A 3.363(7) .
Se15 C25A 1.934(2) .
Se15 Nd5 3.1470(19) 2_556
C25A C30A 1.385(10) .
C25A C26A 1.389(7) .
C26A C27A 1.389(7) .
C26A H26A 0.9500 .
C27A C28A 1.354(11) .
C27A H27A 0.9500 .
C28A C29A 1.344(11) .
C28A H28A 0.9500 .
C29A C30A 1.401(10) .
C29A H29A 0.9500 .
C30A H30A 0.9500 .
Se26 C31B 1.904(4) .
Se26 Nd8 3.0069(19) 2_556
C31B C36B 1.362(10) .
C31B C32B 1.399(7) .
C32B C33B 1.402(7) .
C32B H32B 0.9500 .
C33B C34B 1.366(12) .
C33B H33B 0.9500 .
C34B C35B 1.351(11) .
C34B H34B 0.9500 .
C35B C36B 1.394(10) .
C35B H35B 0.9500 .
C36B H36B 0.9500 .
Se17 C37A 1.904(6) .
C37A C42A 1.381(10) .
C37A C38A 1.395(7) .
C38A C39A 1.392(11) .
C38A H38A 0.9500 .
C39A C40A 1.357(12) .
C39A H39A 0.9500 .
C40A C41A 1.346(10) .
C40A H40A 0.9500 .
C41A C42A 1.410(11) .
C41A H41A 0.9500 .
C42A H42A 0.9500 .
Se28 C43B 1.916(7) .
C43B C48B 1.371(10) .
C43B C44B 1.396(8) .
C44B C45B 1.402(12) .
C44B H44B 0.9500 .
C45B C46B 1.341(10) .
C45B H45B 0.9500 .
C46B C47B 1.356(11) .
C46B H46B 0.9500 .
C47B C48B 1.398(12) .
C47B H47B 0.9500 .
C48B H48B 0.9500 .
N9A C93A 1.3342(13) .
N9A C89A 1.3369(10) .
C89A C90A 1.3796(11) .
C89A H89A 0.9500 .
C90A C91A 1.3401(11) .
C90A H90A 0.9500 .
C91A C92A 1.3350(11) .
C91A H91A 0.9500 .
C92A C93A 1.3796(15) .
C92A H92A 0.9500 .
C93A H93A 0.9500 .
N10A C98A 1.3345(14) .
N10A C94A 1.3370(10) .
C94A C95A 1.3797(11) .
C94A H94A 0.9500 .
C95A C96A 1.3402(11) .
C95A H95A 0.9500 .
C96A C97A 1.3353(11) .
C96A H96A 0.9500 .
C97A C98A 1.3801(15) .
C97A H97A 0.9500 .
C98A H98A 0.9500 .
Na1B Se27 3.184(6) 2_556
Na1B Se27 3.184(6) .
Na1B Se25 3.298(6) 2_556
Na1B Se25 3.298(6) .
Na1B N9B 3.385(7) 2_556
Na1B N9B 3.385(7) .
Se25 C25B 1.924(3) .
Se25 Nd5 2.981(3) 2_556
C25B C30B 1.371(11) .
C25B C26B 1.396(8) .
C26B C27B 1.395(8) .
C26B H26B 0.9500 .
C27B C28B 1.353(11) .
C27B H27B 0.9500 .
C28B C29B 1.354(12) .
C28B H28B 0.9500 .
C29B C30B 1.393(11) .
C29B H29B 0.9500 .
C30B H30B 0.9500 .
Se16 C31A 1.930(4) .
Se16 Nd8 2.9932(16) 2_556
C31A C36A 1.377(11) .
C31A C32A 1.402(6) .
C32A C33A 1.397(8) .
C32A H32A 0.9500 .
C33A C34A 1.354(12) .
C33A H33A 0.9500 .
C34A C35A 1.363(10) .
C34A H34A 0.9500 .
C35A C36A 1.403(11) .
C35A H35A 0.9500 .
C36A H36A 0.9500 .
Se27 C37B 1.900(7) .
C37B C42B 1.375(11) .
C37B C38B 1.381(7) .
C38B C39B 1.401(12) .
C38B H38B 0.9500 .
C39B C40B 1.351(12) .
C39B H39B 0.9500 .
C40B C41B 1.343(11) .
C40B H40B 0.9500 .
C41B C42B 1.385(12) .
C41B H41B 0.9500 .
C42B H42B 0.9500 .
Se18 C43A 1.931(7) .
C43A C48A 1.369(11) .
C43A C44A 1.392(7) .
C44A C45A 1.392(11) .
C44A H44A 0.9500 .
C45A C46A 1.329(12) .
C45A H45A 0.9500 .
C46A C47A 1.332(11) .
C46A H46A 0.9500 .
C47A C48A 1.401(12) .
C47A H47A 0.9500 .
C48A H48A 0.9500 .
N9B C93B 1.3341(14) .
N9B C89B 1.3367(10) .
C89B C90B 1.3794(12) .
C89B H89B 0.9500 .
C90B C91B 1.3399(11) .
C90B H90B 0.9500 .
C91B C92B 1.3350(11) .
C91B H91B 0.9500 .
C92B C93B 1.3797(15) .
C92B H92B 0.9500 .
C93B H93B 0.9500 .
N10B C98B 1.3339(14) .
N10B C94B 1.3366(10) .
C94B C95B 1.3795(11) .
C94B H94B 0.9500 .
C95B C96B 1.3400(11) .
C95B H95B 0.9500 .
C96B C97B 1.3350(11) .
C96B H96B 0.9500 .
C97B C98B 1.3796(15) .
C97B H97B 0.9500 .
C98B H98B 0.9500 .
N11A C115 1.3342(13) .
N11A C111 1.3367(10) .
C111 C112 1.3794(12) .
C111 H111 0.9500 .
C112 C113 1.3398(11) .
C112 H112 0.9500 .
C113 C114 1.3349(11) .
C113 H113 0.9500 .
C114 C115 1.3797(15) .
C114 H114 0.9500 .
C115 H115 0.9500 .
N11B C215 1.3343(14) .
N11B C211 1.3368(10) .
C211 C212 1.3795(12) .
C211 H211 0.9500 .
C212 C213 1.3400(11) .
C212 H212 0.9500 .
C213 C214 1.3352(11) .
C213 H213 0.9500 .
C214 C215 1.3800(15) .
C214 H214 0.9500 .
C215 H215 0.9500 .
N12A C125 1.3344(13) .
N12A C121 1.3369(10) .
C121 C122 1.3797(11) .
C121 H121 0.9500 .
C122 C123 1.3402(11) .
C122 H122 0.9500 .
C123 C124 1.3352(11) .
C123 H123 0.9500 .
C124 C125 1.3800(15) .
C124 H124 0.9500 .
C125 H125 0.9500 .
N12B C225 1.3342(14) .
N12B C221 1.3368(10) .
C221 C222 1.3795(11) .
C221 H221 0.9500 .
C222 C223 1.3399(11) .
C222 H222 0.9500 .
C223 C224 1.3350(11) .
C223 H223 0.9500 .
C224 C225 1.3798(15) .
C224 H224 0.9500 .
C225 H225 0.9500 .
N13A C135 1.3344(14) .
N13A C131 1.3369(10) .
C131 C132 1.3796(12) .
C131 H131 0.9500 .
C132 C133 1.3401(11) .
C132 H132 0.9500 .
C133 C134 1.3352(11) .
C133 H133 0.9500 .
C134 C135 1.3800(15) .
C134 H134 0.9500 .
C135 H135 0.9500 .
N13B C235 1.3341(13) .
N13B C231 1.3367(10) .
C231 C232 1.3795(12) .
C231 H231 0.9500 .
C232 C233 1.3401(11) .
C232 H232 0.9500 .
C233 C234 1.3351(11) .
C233 H233 0.9500 .
C234 C235 1.3798(15) .
C234 H234 0.9500 .
C235 H235 0.9500 .
N14 C145 1.3341(14) .
N14 C141 1.3367(10) .
C141 C142 1.3796(12) .
C141 H141 0.9500 .
C142 C143 1.3401(11) .
C142 H142 0.9500 .
C143 C144 1.3351(11) .
C143 H143 0.9500 .
C144 C145 1.3797(15) .
C144 H144 0.9500 .
C145 H145 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N6 Nd6 Se1 Nd2 -1.18(9) . .
Se7 Nd6 Se1 Nd2 -70.54(6) . .
Se15 Nd6 Se1 Nd2 144.64(7) . .
Se10 Nd6 Se1 Nd2 131.08(6) . .
Se25 Nd6 Se1 Nd2 144.00(9) . .
Se17 Nd6 Se1 Nd2 48.13(6) . .
Se27 Nd6 Se1 Nd2 68.20(8) . .
Se4 Nd6 Se1 Nd2 -151.38(6) . .
N6 Nd6 Se1 Nd3 64.63(6) . .
Se7 Nd6 Se1 Nd3 -4.74(2) . .
Se15 Nd6 Se1 Nd3 -149.55(7) . .
Se10 Nd6 Se1 Nd3 -163.12(2) . .
Se25 Nd6 Se1 Nd3 -150.20(8) . .
Se17 Nd6 Se1 Nd3 113.93(3) . .
Se27 Nd6 Se1 Nd3 134.00(6) . .
Se4 Nd6 Se1 Nd3 -85.58(2) . .
N6 Nd6 Se1 Nd5 -93.99(6) . .
Se7 Nd6 Se1 Nd5 -163.36(2) . .
Se15 Nd6 Se1 Nd5 51.83(7) . .
Se10 Nd6 Se1 Nd5 38.26(2) . .
Se25 Nd6 Se1 Nd5 51.18(8) . .
Se17 Nd6 Se1 Nd5 -44.69(3) . .
Se27 Nd6 Se1 Nd5 -24.62(5) . .
Se4 Nd6 Se1 Nd5 115.80(2) . .
N6 Nd6 Se1 Nd9 171.29(6) . .
Se7 Nd6 Se1 Nd9 101.93(3) . .
Se15 Nd6 Se1 Nd9 -42.89(8) . .
Se10 Nd6 Se1 Nd9 -56.45(2) . .
Se25 Nd6 Se1 Nd9 -43.53(9) . .
Se17 Nd6 Se1 Nd9 -139.40(3) . .
Se27 Nd6 Se1 Nd9 -119.33(6) . .
Se4 Nd6 Se1 Nd9 21.09(2) . .
N2 Nd2 Se1 Nd6 -7.28(11) . .
Se5 Nd2 Se1 Nd6 -90.26(6) . .
Se6 Nd2 Se1 Nd6 91.88(6) . .
Se12 Nd2 Se1 Nd6 -164.67(5) . .
Se11 Nd2 Se1 Nd6 11.36(6) . .
Se2 Nd2 Se1 Nd6 173.79(6) . .
N2 Nd2 Se1 Nd3 -76.13(8) . .
Se5 Nd2 Se1 Nd3 -159.11(2) . .
Se6 Nd2 Se1 Nd3 23.03(2) . .
Se12 Nd2 Se1 Nd3 126.48(4) . .
Se11 Nd2 Se1 Nd3 -57.49(2) . .
Se2 Nd2 Se1 Nd3 104.94(2) . .
N2 Nd2 Se1 Nd5 83.84(8) . .
Se5 Nd2 Se1 Nd5 0.87(2) . .
Se6 Nd2 Se1 Nd5 -177.00(2) . .
Se12 Nd2 Se1 Nd5 -73.55(4) . .
Se11 Nd2 Se1 Nd5 102.48(3) . .
Se2 Nd2 Se1 Nd5 -95.08(2) . .
N2 Nd2 Se1 Nd9 -179.40(8) . .
Se5 Nd2 Se1 Nd9 97.63(3) . .
Se6 Nd2 Se1 Nd9 -80.24(3) . .
Se12 Nd2 Se1 Nd9 23.21(5) . .
Se11 Nd2 Se1 Nd9 -160.76(3) . .
Se2 Nd2 Se1 Nd9 1.68(2) . .
N3 Nd3 Se1 Nd6 -77.50(19) . .
Se6 Nd3 Se1 Nd6 -175.72(2) . .
Se7 Nd3 Se1 Nd6 4.74(2) . .
Se3 Nd3 Se1 Nd6 102.42(2) . .
Se11 Nd3 Se1 Nd6 -94.16(3) . .
Se13 Nd3 Se1 Nd6 79.92(4) . .
N3 Nd3 Se1 Nd2 74.94(19) . .
Se6 Nd3 Se1 Nd2 -23.28(2) . .
Se7 Nd3 Se1 Nd2 157.18(2) . .
Se3 Nd3 Se1 Nd2 -105.14(2) . .
Se11 Nd3 Se1 Nd2 58.28(2) . .
Se13 Nd3 Se1 Nd2 -127.64(4) . .
N3 Nd3 Se1 Nd5 6.1(2) . .
Se6 Nd3 Se1 Nd5 -92.13(8) . .
Se7 Nd3 Se1 Nd5 88.32(8) . .
Se3 Nd3 Se1 Nd5 -174.00(8) . .
Se11 Nd3 Se1 Nd5 -10.58(8) . .
Se13 Nd3 Se1 Nd5 163.51(7) . .
N3 Nd3 Se1 Nd9 -177.81(19) . .
Se6 Nd3 Se1 Nd9 83.97(3) . .
Se7 Nd3 Se1 Nd9 -95.58(3) . .
Se3 Nd3 Se1 Nd9 2.10(2) . .
Se11 Nd3 Se1 Nd9 165.52(3) . .
Se13 Nd3 Se1 Nd9 -20.39(5) . .
N5 Nd5 Se1 Nd6 103.33(6) . .
Se5 Nd5 Se1 Nd6 149.36(3) . .
Se4 Nd5 Se1 Nd6 -120.47(2) 2_556 .
Se27 Nd5 Se1 Nd6 26.19(6) . .
Se25 Nd5 Se1 Nd6 -45.49(9) 2_556 .
Se10 Nd5 Se1 Nd6 -38.94(2) . .
Se17 Nd5 Se1 Nd6 46.42(3) . .
Se15 Nd5 Se1 Nd6 -51.32(6) 2_556 .
N5 Nd5 Se1 Nd2 -46.90(6) . .
Se5 Nd5 Se1 Nd2 -0.87(2) . .
Se4 Nd5 Se1 Nd2 89.30(2) 2_556 .
Se27 Nd5 Se1 Nd2 -124.04(6) . .
Se25 Nd5 Se1 Nd2 164.28(8) 2_556 .
Se10 Nd5 Se1 Nd2 170.83(3) . .
Se17 Nd5 Se1 Nd2 -103.80(3) . .
Se15 Nd5 Se1 Nd2 158.45(5) 2_556 .
N5 Nd5 Se1 Nd3 19.18(12) . .
Se5 Nd5 Se1 Nd3 65.21(8) . .
Se4 Nd5 Se1 Nd3 155.38(8) 2_556 .
Se27 Nd5 Se1 Nd3 -57.96(10) . .
Se25 Nd5 Se1 Nd3 -129.64(11) 2_556 .
Se10 Nd5 Se1 Nd3 -123.09(8) . .
Se17 Nd5 Se1 Nd3 -37.73(8) . .
Se15 Nd5 Se1 Nd3 -135.47(8) 2_556 .
N5 Nd5 Se1 Nd9 -157.06(6) . .
Se5 Nd5 Se1 Nd9 -111.04(3) . .
Se4 Nd5 Se1 Nd9 -20.87(2) 2_556 .
Se27 Nd5 Se1 Nd9 125.79(6) . .
Se25 Nd5 Se1 Nd9 54.11(9) 2_556 .
Se10 Nd5 Se1 Nd9 60.66(2) . .
Se17 Nd5 Se1 Nd9 146.03(3) . .
Se15 Nd5 Se1 Nd9 48.28(6) 2_556 .
Se2 Nd9 Se1 Nd6 -177.73(3) . .
Se2 Nd9 Se1 Nd6 -57.23(5) 2_556 .
Se4 Nd9 Se1 Nd6 107.72(3) 2_556 .
Se4 Nd9 Se1 Nd6 -21.30(2) . .
Se3 Nd9 Se1 Nd6 -95.30(2) . .
Se3 Nd9 Se1 Nd6 143.86(3) 2_556 .
Se1 Nd9 Se1 Nd6 43.251(16) 2_556 .
Se2 Nd9 Se1 Nd2 -1.69(2) . .
Se2 Nd9 Se1 Nd2 118.82(4) 2_556 .
Se4 Nd9 Se1 Nd2 -76.24(3) 2_556 .
Se4 Nd9 Se1 Nd2 154.74(3) . .
Se3 Nd9 Se1 Nd2 80.74(3) . .
Se3 Nd9 Se1 Nd2 -40.10(5) 2_556 .
Se1 Nd9 Se1 Nd2 -140.71(3) 2_556 .
Se2 Nd9 Se1 Nd3 -84.46(3) . .
Se2 Nd9 Se1 Nd3 36.04(5) 2_556 .
Se4 Nd9 Se1 Nd3 -159.01(3) 2_556 .
Se4 Nd9 Se1 Nd3 71.97(3) . .
Se3 Nd9 Se1 Nd3 -2.04(2) . .
Se3 Nd9 Se1 Nd3 -122.88(4) 2_556 .
Se1 Nd9 Se1 Nd3 136.52(3) 2_556 .
Se2 Nd9 Se1 Nd5 94.10(2) . .
Se2 Nd9 Se1 Nd5 -145.39(4) 2_556 .
Se4 Nd9 Se1 Nd5 19.55(2) 2_556 .
Se4 Nd9 Se1 Nd5 -109.47(2) . .
Se3 Nd9 Se1 Nd5 176.53(3) . .
Se3 Nd9 Se1 Nd5 55.69(4) 2_556 .
Se1 Nd9 Se1 Nd5 -44.916(15) 2_556 .
N8 Nd8 Se2 Nd1 0.39(9) . .
Se6 Nd8 Se2 Nd1 69.59(6) . .
Se16 Nd8 Se2 Nd1 -142.51(7) 2_556 .
Se18 Nd8 Se2 Nd1 -48.87(7) . .
Se9 Nd8 Se2 Nd1 -131.11(6) . .
Se26 Nd8 Se2 Nd1 -144.58(8) 2_556 .
Se3 Nd8 Se2 Nd1 151.06(6) . .
Se28 Nd8 Se2 Nd1 -58.67(7) . .
N8 Nd8 Se2 Nd7 93.16(6) . .
Se6 Nd8 Se2 Nd7 162.35(2) . .
Se16 Nd8 Se2 Nd7 -49.74(6) 2_556 .
Se18 Nd8 Se2 Nd7 43.90(4) . .
Se9 Nd8 Se2 Nd7 -38.34(2) . .
Se26 Nd8 Se2 Nd7 -51.81(7) 2_556 .
Se3 Nd8 Se2 Nd7 -116.18(2) . .
Se28 Nd8 Se2 Nd7 34.10(4) . .
N8 Nd8 Se2 Nd2 -65.04(6) . .
Se6 Nd8 Se2 Nd2 4.16(2) . .
Se16 Nd8 Se2 Nd2 152.06(6) 2_556 .
Se18 Nd8 Se2 Nd2 -114.30(4) . .
Se9 Nd8 Se2 Nd2 163.47(2) . .
Se26 Nd8 Se2 Nd2 150.00(7) 2_556 .
Se3 Nd8 Se2 Nd2 85.63(2) . .
Se28 Nd8 Se2 Nd2 -124.10(4) . .
N8 Nd8 Se2 Nd9 -172.14(6) . .
Se6 Nd8 Se2 Nd9 -102.94(3) . .
Se16 Nd8 Se2 Nd9 44.96(6) 2_556 .
Se18 Nd8 Se2 Nd9 138.60(4) . .
Se9 Nd8 Se2 Nd9 56.37(2) . .
Se26 Nd8 Se2 Nd9 42.90(7) 2_556 .
Se3 Nd8 Se2 Nd9 -21.47(2) . .
Se28 Nd8 Se2 Nd9 128.80(4) . .
N1 Nd1 Se2 Nd8 9.18(15) . .
Se8 Nd1 Se2 Nd8 90.27(6) 2_556 .
Se5 Nd1 Se2 Nd8 -91.53(6) . .
Se14 Nd1 Se2 Nd8 165.51(5) 2_556 .
Se12 Nd1 Se2 Nd8 -11.82(6) . .
Se4 Nd1 Se2 Nd8 -173.99(6) 2_556 .
N1 Nd1 Se2 Nd7 -82.12(13) . .
Se8 Nd1 Se2 Nd7 -1.03(2) 2_556 .
Se5 Nd1 Se2 Nd7 177.17(2) . .
Se14 Nd1 Se2 Nd7 74.20(4) 2_556 .
Se12 Nd1 Se2 Nd7 -103.12(3) . .
Se4 Nd1 Se2 Nd7 94.71(2) 2_556 .
N1 Nd1 Se2 Nd2 77.88(13) . .
Se8 Nd1 Se2 Nd2 158.97(2) 2_556 .
Se5 Nd1 Se2 Nd2 -22.83(2) . .
Se14 Nd1 Se2 Nd2 -125.80(4) 2_556 .
Se12 Nd1 Se2 Nd2 56.88(2) . .
Se4 Nd1 Se2 Nd2 -105.29(2) 2_556 .
N1 Nd1 Se2 Nd9 -178.63(12) . .
Se8 Nd1 Se2 Nd9 -97.54(3) 2_556 .
Se5 Nd1 Se2 Nd9 80.66(3) . .
Se14 Nd1 Se2 Nd9 -22.31(5) 2_556 .
Se12 Nd1 Se2 Nd9 160.37(3) . .
Se4 Nd1 Se2 Nd9 -1.80(2) 2_556 .
N7 Nd7 Se2 Nd8 -104.51(7) . .
Se8 Nd7 Se2 Nd8 -150.42(2) 2_556 .
Se3 Nd7 Se2 Nd8 119.99(2) 2_556 .
Se18 Nd7 Se2 Nd8 -45.11(3) . .
Se9 Nd7 Se2 Nd8 38.94(2) . .
Se28 Nd7 Se2 Nd8 -35.76(4) . .
Se26 Nd7 Se2 Nd8 48.30(10) . .
Se16 Nd7 Se2 Nd8 47.20(7) . .
N7 Nd7 Se2 Nd1 46.94(7) . .
Se8 Nd7 Se2 Nd1 1.03(2) 2_556 .
Se3 Nd7 Se2 Nd1 -88.56(2) 2_556 .
Se18 Nd7 Se2 Nd1 106.34(3) . .
Se9 Nd7 Se2 Nd1 -169.61(3) . .
Se28 Nd7 Se2 Nd1 115.69(4) . .
Se26 Nd7 Se2 Nd1 -160.25(9) . .
Se16 Nd7 Se2 Nd1 -161.35(7) . .
N7 Nd7 Se2 Nd2 -16.95(12) . .
Se8 Nd7 Se2 Nd2 -62.86(8) 2_556 .
Se3 Nd7 Se2 Nd2 -152.45(7) 2_556 .
Se18 Nd7 Se2 Nd2 42.44(8) . .
Se9 Nd7 Se2 Nd2 126.50(8) . .
Se28 Nd7 Se2 Nd2 51.79(8) . .
Se26 Nd7 Se2 Nd2 135.86(11) . .
Se16 Nd7 Se2 Nd2 134.75(9) . .
N7 Nd7 Se2 Nd9 156.52(7) . .
Se8 Nd7 Se2 Nd9 110.62(2) 2_556 .
Se3 Nd7 Se2 Nd9 21.02(2) 2_556 .
Se18 Nd7 Se2 Nd9 -144.08(3) . .
Se9 Nd7 Se2 Nd9 -60.03(2) . .
Se28 Nd7 Se2 Nd9 -134.73(4) . .
Se26 Nd7 Se2 Nd9 -50.67(10) . .
Se16 Nd7 Se2 Nd9 -51.77(7) . .
N2 Nd2 Se2 Nd8 79.53(8) . .
Se5 Nd2 Se2 Nd8 176.35(3) . .
Se6 Nd2 Se2 Nd8 -4.15(2) . .
Se1 Nd2 Se2 Nd8 -101.59(2) . .
Se12 Nd2 Se2 Nd8 94.40(3) . .
Se11 Nd2 Se2 Nd8 -77.67(4) . .
N2 Nd2 Se2 Nd1 -74.04(8) . .
Se5 Nd2 Se2 Nd1 22.79(2) . .
Se6 Nd2 Se2 Nd1 -157.71(2) . .
Se1 Nd2 Se2 Nd1 104.85(2) . .
Se12 Nd2 Se2 Nd1 -59.17(2) . .
Se11 Nd2 Se2 Nd1 128.77(4) . .
N2 Nd2 Se2 Nd7 -7.32(12) . .
Se5 Nd2 Se2 Nd7 89.50(8) . .
Se6 Nd2 Se2 Nd7 -91.00(8) . .
Se1 Nd2 Se2 Nd7 171.56(8) . .
Se12 Nd2 Se2 Nd7 7.55(7) . .
Se11 Nd2 Se2 Nd7 -164.52(6) . .
N2 Nd2 Se2 Nd9 179.46(8) . .
Se5 Nd2 Se2 Nd9 -83.71(3) . .
Se6 Nd2 Se2 Nd9 95.79(3) . .
Se1 Nd2 Se2 Nd9 -1.65(2) . .
Se12 Nd2 Se2 Nd9 -165.67(3) . .
Se11 Nd2 Se2 Nd9 22.27(5) . .
Se2 Nd9 Se2 Nd8 -43.465(15) 2_556 .
Se4 Nd9 Se2 Nd8 178.04(3) 2_556 .
Se4 Nd9 Se2 Nd8 58.35(4) . .
Se3 Nd9 Se2 Nd8 21.51(2) . .
Se3 Nd9 Se2 Nd8 -108.20(2) 2_556 .
Se1 Nd9 Se2 Nd8 -144.89(4) 2_556 .
Se1 Nd9 Se2 Nd8 95.72(2) . .
Se2 Nd9 Se2 Nd1 140.30(3) 2_556 .
Se4 Nd9 Se2 Nd1 1.81(2) 2_556 .
Se4 Nd9 Se2 Nd1 -117.88(4) . .
Se3 Nd9 Se2 Nd1 -154.72(3) . .
Se3 Nd9 Se2 Nd1 75.57(3) 2_556 .
Se1 Nd9 Se2 Nd1 38.88(5) 2_556 .
Se1 Nd9 Se2 Nd1 -80.51(3) . .
Se2 Nd9 Se2 Nd7 44.938(14) 2_556 .
Se4 Nd9 Se2 Nd7 -93.56(2) 2_556 .
Se4 Nd9 Se2 Nd7 146.76(3) . .
Se3 Nd9 Se2 Nd7 109.92(2) . .
Se3 Nd9 Se2 Nd7 -19.79(2) 2_556 .
Se1 Nd9 Se2 Nd7 -56.48(4) 2_556 .
Se1 Nd9 Se2 Nd7 -175.88(2) . .
Se2 Nd9 Se2 Nd2 -137.59(2) 2_556 .
Se4 Nd9 Se2 Nd2 83.92(2) 2_556 .
Se4 Nd9 Se2 Nd2 -35.77(5) . .
Se3 Nd9 Se2 Nd2 -72.61(2) . .
Se3 Nd9 Se2 Nd2 157.68(3) 2_556 .
Se1 Nd9 Se2 Nd2 120.99(4) 2_556 .
Se1 Nd9 Se2 Nd2 1.59(2) . .
N3 Nd3 Se3 Nd7 7.1(2) . 2_556
Se6 Nd3 Se3 Nd7 91.28(7) . 2_556
Se7 Nd3 Se3 Nd7 -89.74(7) . 2_556
Se11 Nd3 Se3 Nd7 165.03(6) . 2_556
Se13 Nd3 Se3 Nd7 -9.58(6) . 2_556
Se1 Nd3 Se3 Nd7 -172.86(7) . 2_556
N3 Nd3 Se3 Nd8 -85.13(19) . .
Se6 Nd3 Se3 Nd8 -0.90(2) . .
Se7 Nd3 Se3 Nd8 178.08(2) . .
Se11 Nd3 Se3 Nd8 72.85(4) . .
Se13 Nd3 Se3 Nd8 -101.76(3) . .
Se1 Nd3 Se3 Nd8 94.96(2) . .
N3 Nd3 Se3 Nd4 74.42(19) . .
Se6 Nd3 Se3 Nd4 158.65(2) . .
Se7 Nd3 Se3 Nd4 -22.37(2) . .
Se11 Nd3 Se3 Nd4 -127.60(4) . .
Se13 Nd3 Se3 Nd4 57.79(3) . .
Se1 Nd3 Se3 Nd4 -105.49(2) . .
N3 Nd3 Se3 Nd9 177.78(19) . .
Se6 Nd3 Se3 Nd9 -98.00(3) . .
Se7 Nd3 Se3 Nd9 80.98(3) . .
Se11 Nd3 Se3 Nd9 -24.25(5) . .
Se13 Nd3 Se3 Nd9 161.14(3) . .
Se1 Nd3 Se3 Nd9 -2.14(2) . .
N8 Nd8 Se3 Nd7 -100.49(7) . 2_556
Se6 Nd8 Se3 Nd7 -151.16(2) . 2_556
Se2 Nd8 Se3 Nd7 119.64(2) . 2_556
Se16 Nd8 Se3 Nd7 -28.47(5) 2_556 2_556
Se18 Nd8 Se3 Nd7 82.31(8) . 2_556
Se9 Nd8 Se3 Nd7 38.73(2) . 2_556
Se26 Nd8 Se3 Nd7 -29.30(6) 2_556 2_556
Se28 Nd8 Se3 Nd7 58.52(7) . 2_556
N8 Nd8 Se3 Nd3 51.57(7) . .
Se6 Nd8 Se3 Nd3 0.90(2) . .
Se2 Nd8 Se3 Nd3 -88.30(2) . .
Se16 Nd8 Se3 Nd3 123.60(5) 2_556 .
Se18 Nd8 Se3 Nd3 -125.63(8) . .
Se9 Nd8 Se3 Nd3 -169.21(3) . .
Se26 Nd8 Se3 Nd3 122.76(6) 2_556 .
Se28 Nd8 Se3 Nd3 -149.41(6) . .
N8 Nd8 Se3 Nd4 -14.61(12) . .
Se6 Nd8 Se3 Nd4 -65.28(8) . .
Se2 Nd8 Se3 Nd4 -154.48(8) . .
Se16 Nd8 Se3 Nd4 57.41(9) 2_556 .
Se18 Nd8 Se3 Nd4 168.19(9) . .
Se9 Nd8 Se3 Nd4 124.61(8) . .
Se26 Nd8 Se3 Nd4 56.58(9) 2_556 .
Se28 Nd8 Se3 Nd4 144.40(8) . .
N8 Nd8 Se3 Nd9 161.14(7) . .
Se6 Nd8 Se3 Nd9 110.47(2) . .
Se2 Nd8 Se3 Nd9 21.27(2) . .
Se16 Nd8 Se3 Nd9 -126.83(5) 2_556 .
Se18 Nd8 Se3 Nd9 -16.06(9) . .
Se9 Nd8 Se3 Nd9 -59.64(2) . .
Se26 Nd8 Se3 Nd9 -127.67(6) 2_556 .
Se28 Nd8 Se3 Nd9 -39.85(7) . .
N4 Nd4 Se3 Nd7 82.71(16) . 2_556
Se7 Nd4 Se3 Nd7 176.77(2) . 2_556
Se8 Nd4 Se3 Nd7 -3.43(2) . 2_556
Se4 Nd4 Se3 Nd7 -101.51(2) . 2_556
Se13 Nd4 Se3 Nd7 95.07(3) . 2_556
Se14 Nd4 Se3 Nd7 -78.30(4) . 2_556
N4 Nd4 Se3 Nd3 -71.67(16) . .
Se7 Nd4 Se3 Nd3 22.39(2) . .
Se8 Nd4 Se3 Nd3 -157.81(2) . .
Se4 Nd4 Se3 Nd3 104.11(2) . .
Se13 Nd4 Se3 Nd3 -59.31(2) . .
Se14 Nd4 Se3 Nd3 127.32(4) . .
N4 Nd4 Se3 Nd8 -2.58(18) . .
Se7 Nd4 Se3 Nd8 91.48(8) . .
Se8 Nd4 Se3 Nd8 -88.72(8) . .
Se4 Nd4 Se3 Nd8 173.20(8) . .
Se13 Nd4 Se3 Nd8 9.79(7) . .
Se14 Nd4 Se3 Nd8 -163.59(6) . .
N4 Nd4 Se3 Nd9 -178.17(15) . .
Se7 Nd4 Se3 Nd9 -84.11(3) . .
Se8 Nd4 Se3 Nd9 95.69(3) . .
Se4 Nd4 Se3 Nd9 -2.39(2) . .
Se13 Nd4 Se3 Nd9 -165.80(3) . .
Se14 Nd4 Se3 Nd9 20.82(5) . .
Se2 Nd9 Se3 Nd7 -108.46(2) . 2_556
Se2 Nd9 Se3 Nd7 21.19(2) 2_556 2_556
Se4 Nd9 Se3 Nd7 -145.15(3) 2_556 2_556
Se4 Nd9 Se3 Nd7 95.57(3) . 2_556
Se3 Nd9 Se3 Nd7 -43.513(15) 2_556 2_556
Se1 Nd9 Se3 Nd7 58.10(4) 2_556 2_556
Se1 Nd9 Se3 Nd7 177.76(3) . 2_556
Se2 Nd9 Se3 Nd3 75.92(3) . .
Se2 Nd9 Se3 Nd3 -154.43(3) 2_556 .
Se4 Nd9 Se3 Nd3 39.23(5) 2_556 .
Se4 Nd9 Se3 Nd3 -80.05(3) . .
Se3 Nd9 Se3 Nd3 140.87(3) 2_556 .
Se1 Nd9 Se3 Nd3 -117.52(4) 2_556 .
Se1 Nd9 Se3 Nd3 2.14(2) . .
Se2 Nd9 Se3 Nd8 -20.07(2) . .
Se2 Nd9 Se3 Nd8 109.58(2) 2_556 .
Se4 Nd9 Se3 Nd8 -56.75(4) 2_556 .
Se4 Nd9 Se3 Nd8 -176.04(3) . .
Se3 Nd9 Se3 Nd8 44.879(13) 2_556 .
Se1 Nd9 Se3 Nd8 146.49(4) 2_556 .
Se1 Nd9 Se3 Nd8 -93.85(2) . .
Se2 Nd9 Se3 Nd4 158.28(3) . .
Se2 Nd9 Se3 Nd4 -72.07(3) 2_556 .
Se4 Nd9 Se3 Nd4 121.60(4) 2_556 .
Se4 Nd9 Se3 Nd4 2.31(2) . .
Se3 Nd9 Se3 Nd4 -136.77(2) 2_556 .
Se1 Nd9 Se3 Nd4 -35.16(5) 2_556 .
Se1 Nd9 Se3 Nd4 84.50(2) . .
N4 Nd4 Se4 Nd5 -10.84(18) . 2_556
Se7 Nd4 Se4 Nd5 -90.62(6) . 2_556
Se8 Nd4 Se4 Nd5 90.52(6) . 2_556
Se13 Nd4 Se4 Nd5 -165.07(5) . 2_556
Se14 Nd4 Se4 Nd5 10.56(6) . 2_556
Se3 Nd4 Se4 Nd5 173.28(6) . 2_556
N4 Nd4 Se4 Nd1 -79.08(16) . 2_556
Se7 Nd4 Se4 Nd1 -158.86(2) . 2_556
Se8 Nd4 Se4 Nd1 22.28(2) . 2_556
Se13 Nd4 Se4 Nd1 126.69(3) . 2_556
Se14 Nd4 Se4 Nd1 -57.68(2) . 2_556
Se3 Nd4 Se4 Nd1 105.04(2) . 2_556
N4 Nd4 Se4 Nd6 81.15(16) . .
Se7 Nd4 Se4 Nd6 1.37(2) . .
Se8 Nd4 Se4 Nd6 -177.49(2) . .
Se13 Nd4 Se4 Nd6 -73.08(4) . .
Se14 Nd4 Se4 Nd6 102.55(3) . .
Se3 Nd4 Se4 Nd6 -94.73(2) . .
N4 Nd4 Se4 Nd9 178.31(16) . .
Se7 Nd4 Se4 Nd9 98.54(3) . .
Se8 Nd4 Se4 Nd9 -80.33(3) . .
Se13 Nd4 Se4 Nd9 24.08(5) . .
Se14 Nd4 Se4 Nd9 -160.29(3) . .
Se3 Nd4 Se4 Nd9 2.43(2) . .
N6 Nd6 Se4 Nd5 103.37(8) . 2_556
Se7 Nd6 Se4 Nd5 149.11(2) . 2_556
Se1 Nd6 Se4 Nd5 -120.47(2) . 2_556
Se15 Nd6 Se4 Nd5 30.99(3) . 2_556
Se10 Nd6 Se4 Nd5 -38.85(2) . 2_556
Se25 Nd6 Se4 Nd5 26.95(4) . 2_556
Se17 Nd6 Se4 Nd5 -83.13(7) . 2_556
Se27 Nd6 Se4 Nd5 -45.40(7) . 2_556
N6 Nd6 Se4 Nd4 -47.12(9) . .
Se7 Nd6 Se4 Nd4 -1.38(2) . .
Se1 Nd6 Se4 Nd4 89.05(2) . .
Se15 Nd6 Se4 Nd4 -119.49(3) . .
Se10 Nd6 Se4 Nd4 170.66(3) . .
Se25 Nd6 Se4 Nd4 -123.53(4) . .
Se17 Nd6 Se4 Nd4 126.39(7) . .
Se27 Nd6 Se4 Nd4 164.12(7) . .
N6 Nd6 Se4 Nd1 18.47(13) . 2_556
Se7 Nd6 Se4 Nd1 64.20(8) . 2_556
Se1 Nd6 Se4 Nd1 154.63(8) . 2_556
Se15 Nd6 Se4 Nd1 -53.91(8) . 2_556
Se10 Nd6 Se4 Nd1 -123.75(8) . 2_556
Se25 Nd6 Se4 Nd1 -57.95(9) . 2_556
Se17 Nd6 Se4 Nd1 -168.03(8) . 2_556
Se27 Nd6 Se4 Nd1 -130.30(9) . 2_556
N6 Nd6 Se4 Nd9 -157.07(8) . .
Se7 Nd6 Se4 Nd9 -111.33(3) . .
Se1 Nd6 Se4 Nd9 -20.91(2) . .
Se15 Nd6 Se4 Nd9 130.56(3) . .
Se10 Nd6 Se4 Nd9 60.71(2) . .
Se25 Nd6 Se4 Nd9 126.52(4) . .
Se17 Nd6 Se4 Nd9 16.43(7) . .
Se27 Nd6 Se4 Nd9 54.17(7) . .
Se2 Nd9 Se4 Nd5 143.92(3) . 2_556
Se2 Nd9 Se4 Nd5 -95.05(3) 2_556 2_556
Se4 Nd9 Se4 Nd5 43.250(16) 2_556 2_556
Se3 Nd9 Se4 Nd5 -177.88(3) . 2_556
Se3 Nd9 Se4 Nd5 -57.15(5) 2_556 2_556
Se1 Nd9 Se4 Nd5 -21.31(2) 2_556 2_556
Se1 Nd9 Se4 Nd5 107.89(3) . 2_556
Se2 Nd9 Se4 Nd4 -40.64(5) . .
Se2 Nd9 Se4 Nd4 80.39(3) 2_556 .
Se4 Nd9 Se4 Nd4 -141.31(3) 2_556 .
Se3 Nd9 Se4 Nd4 -2.44(2) . .
Se3 Nd9 Se4 Nd4 118.29(4) 2_556 .
Se1 Nd9 Se4 Nd4 154.13(3) 2_556 .
Se1 Nd9 Se4 Nd4 -76.67(3) . .
Se2 Nd9 Se4 Nd1 -122.74(4) . 2_556
Se2 Nd9 Se4 Nd1 -1.70(2) 2_556 2_556
Se4 Nd9 Se4 Nd1 136.59(3) 2_556 2_556
Se3 Nd9 Se4 Nd1 -84.54(3) . 2_556
Se3 Nd9 Se4 Nd1 36.20(5) 2_556 2_556
Se1 Nd9 Se4 Nd1 72.03(3) 2_556 2_556
Se1 Nd9 Se4 Nd1 -158.77(3) . 2_556
Se2 Nd9 Se4 Nd6 55.58(4) . .
Se2 Nd9 Se4 Nd6 176.62(3) 2_556 .
Se4 Nd9 Se4 Nd6 -45.088(14) 2_556 .
Se3 Nd9 Se4 Nd6 93.78(2) . .
Se3 Nd9 Se4 Nd6 -145.48(3) 2_556 .
Se1 Nd9 Se4 Nd6 -109.65(2) 2_556 .
Se1 Nd9 Se4 Nd6 19.55(2) . .
N5 Nd5 Se5 Nd2 154.93(7) . .
Se4 Nd5 Se5 Nd2 -79.76(3) 2_556 .
Se27 Nd5 Se5 Nd2 81.51(5) . .
Se25 Nd5 Se5 Nd2 -166.23(8) 2_556 .
Se10 Nd5 Se5 Nd2 -19.40(8) . .
Se17 Nd5 Se5 Nd2 70.70(3) . .
Se1 Nd5 Se5 Nd2 0.92(3) . .
Se15 Nd5 Se5 Nd2 -161.76(5) 2_556 .
N5 Nd5 Se5 Nd1 -121.29(7) . .
Se4 Nd5 Se5 Nd1 4.02(2) 2_556 .
Se27 Nd5 Se5 Nd1 165.29(4) . .
Se25 Nd5 Se5 Nd1 -82.46(8) 2_556 .
Se10 Nd5 Se5 Nd1 64.38(7) . .
Se17 Nd5 Se5 Nd1 154.47(3) . .
Se1 Nd5 Se5 Nd1 84.70(2) . .
Se15 Nd5 Se5 Nd1 -77.98(6) 2_556 .
N2 Nd2 Se5 Nd5 -144.11(5) . .
Se6 Nd2 Se5 Nd5 59.6(7) . .
Se1 Nd2 Se5 Nd5 -0.96(3) . .
Se12 Nd2 Se5 Nd5 137.27(3) . .
Se11 Nd2 Se5 Nd5 -66.84(3) . .
Se2 Nd2 Se5 Nd5 71.35(3) . .
N2 Nd2 Se5 Nd1 121.36(5) . .
Se6 Nd2 Se5 Nd1 -35.0(7) . .
Se1 Nd2 Se5 Nd1 -95.48(2) . .
Se12 Nd2 Se5 Nd1 42.75(3) . .
Se11 Nd2 Se5 Nd1 -161.36(3) . .
Se2 Nd2 Se5 Nd1 -23.17(2) . .
N1 Nd1 Se5 Nd5 139.64(7) . .
Se8 Nd1 Se5 Nd5 34.0(8) 2_556 .
Se2 Nd1 Se5 Nd5 -76.54(3) . .
Se14 Nd1 Se5 Nd5 60.78(3) 2_556 .
Se12 Nd1 Se5 Nd5 -142.85(3) . .
Se4 Nd1 Se5 Nd5 -3.76(2) 2_556 .
N1 Nd1 Se5 Nd2 -119.45(7) . .
Se8 Nd1 Se5 Nd2 134.9(8) 2_556 .
Se2 Nd1 Se5 Nd2 24.37(3) . .
Se14 Nd1 Se5 Nd2 161.69(3) 2_556 .
Se12 Nd1 Se5 Nd2 -41.93(2) . .
Se4 Nd1 Se5 Nd2 97.15(2) 2_556 .
N3 Nd3 Se6 Nd8 144.54(11) . .
Se7 Nd3 Se6 Nd8 -51.2(13) . .
Se3 Nd3 Se6 Nd8 0.99(2) . .
Se11 Nd3 Se6 Nd8 -137.10(3) . .
Se13 Nd3 Se6 Nd8 65.91(3) . .
Se1 Nd3 Se6 Nd8 -71.88(3) . .
N3 Nd3 Se6 Nd2 -119.95(11) . .
Se7 Nd3 Se6 Nd2 44.3(13) . .
Se3 Nd3 Se6 Nd2 96.49(2) . .
Se11 Nd3 Se6 Nd2 -41.60(2) . .
Se13 Nd3 Se6 Nd2 161.41(2) . .
Se1 Nd3 Se6 Nd2 23.63(2) . .
N8 Nd8 Se6 Nd3 -151.51(4) . .
Se2 Nd8 Se6 Nd3 79.88(3) . .
Se16 Nd8 Se6 Nd3 -79.24(5) 2_556 .
Se18 Nd8 Se6 Nd3 150.13(5) . .
Se9 Nd8 Se6 Nd3 22.86(7) . .
Se26 Nd8 Se6 Nd3 -78.44(6) 2_556 .
Se3 Nd8 Se6 Nd3 -0.96(2) . .
Se28 Nd8 Se6 Nd3 158.54(3) . .
N8 Nd8 Se6 Nd2 124.11(4) . .
Se2 Nd8 Se6 Nd2 -4.49(3) . .
Se16 Nd8 Se6 Nd2 -163.61(5) 2_556 .
Se18 Nd8 Se6 Nd2 65.76(5) . .
Se9 Nd8 Se6 Nd2 -61.52(6) . .
Se26 Nd8 Se6 Nd2 -162.82(5) 2_556 .
Se3 Nd8 Se6 Nd2 -85.33(3) . .
Se28 Nd8 Se6 Nd2 74.17(4) . .
N2 Nd2 Se6 Nd3 118.78(5) . .
Se5 Nd2 Se6 Nd3 -84.9(7) . .
Se1 Nd2 Se6 Nd3 -24.60(2) . .
Se12 Nd2 Se6 Nd3 -162.38(3) . .
Se11 Nd2 Se6 Nd3 41.75(2) . .
Se2 Nd2 Se6 Nd3 -96.73(2) . .
N2 Nd2 Se6 Nd8 -140.25(5) . .
Se5 Nd2 Se6 Nd8 16.1(7) . .
Se1 Nd2 Se6 Nd8 76.37(3) . .
Se12 Nd2 Se6 Nd8 -61.41(3) . .
Se11 Nd2 Se6 Nd8 142.72(3) . .
Se2 Nd2 Se6 Nd8 4.24(2) . .
N4 Nd4 Se7 Nd6 -145.00(9) . .
Se8 Nd4 Se7 Nd6 61.9(13) . .
Se4 Nd4 Se7 Nd6 -1.52(3) . .
Se13 Nd4 Se7 Nd6 135.62(3) . .
Se14 Nd4 Se7 Nd6 -66.62(3) . .
Se3 Nd4 Se7 Nd6 71.05(3) . .
N4 Nd4 Se7 Nd3 121.07(9) . .
Se8 Nd4 Se7 Nd3 -32.0(13) . .
Se4 Nd4 Se7 Nd3 -95.45(2) . .
Se13 Nd4 Se7 Nd3 41.69(2) . .
Se14 Nd4 Se7 Nd3 -160.54(2) . .
Se3 Nd4 Se7 Nd3 -22.88(2) . .
N6 Nd6 Se7 Nd4 155.05(5) . .
Se1 Nd6 Se7 Nd4 -79.04(3) . .
Se15 Nd6 Se7 Nd4 80.99(5) . .
Se10 Nd6 Se7 Nd4 -17.56(7) . .
Se25 Nd6 Se7 Nd4 78.11(7) . .
Se17 Nd6 Se7 Nd4 -150.49(3) . .
Se27 Nd6 Se7 Nd4 -164.10(6) . .
Se4 Nd6 Se7 Nd4 1.46(3) . .
N6 Nd6 Se7 Nd3 -120.80(5) . .
Se1 Nd6 Se7 Nd3 5.10(3) . .
Se15 Nd6 Se7 Nd3 165.13(4) . .
Se10 Nd6 Se7 Nd3 66.58(7) . .
Se25 Nd6 Se7 Nd3 162.25(6) . .
Se17 Nd6 Se7 Nd3 -66.35(4) . .
Se27 Nd6 Se7 Nd3 -79.95(6) . .
Se4 Nd6 Se7 Nd3 85.60(2) . .
N3 Nd3 Se7 Nd4 -119.82(11) . .
Se6 Nd3 Se7 Nd4 75.9(13) . .
Se3 Nd3 Se7 Nd4 23.84(2) . .
Se11 Nd3 Se7 Nd4 161.67(2) . .
Se13 Nd3 Se7 Nd4 -41.33(2) . .
Se1 Nd3 Se7 Nd4 96.62(2) . .
N3 Nd3 Se7 Nd6 138.75(11) . .
Se6 Nd3 Se7 Nd6 -25.5(13) . .
Se3 Nd3 Se7 Nd6 -77.59(3) . .
Se11 Nd3 Se7 Nd6 60.25(3) . .
Se13 Nd3 Se7 Nd6 -142.76(3) . .
Se1 Nd3 Se7 Nd6 -4.81(2) . .
N4 Nd4 Se8 Nd1 119.77(9) . 2_556
Se7 Nd4 Se8 Nd1 -87.1(13) . 2_556
Se4 Nd4 Se8 Nd1 -23.86(2) . 2_556
Se13 Nd4 Se8 Nd1 -160.74(2) . 2_556
Se14 Nd4 Se8 Nd1 41.49(2) . 2_556
Se3 Nd4 Se8 Nd1 -96.31(2) . 2_556
N4 Nd4 Se8 Nd7 -140.43(9) . 2_556
Se7 Nd4 Se8 Nd7 12.7(13) . 2_556
Se4 Nd4 Se8 Nd7 75.94(3) . 2_556
Se13 Nd4 Se8 Nd7 -60.94(3) . 2_556
Se14 Nd4 Se8 Nd7 141.29(3) . 2_556
Se3 Nd4 Se8 Nd7 3.49(2) . 2_556
N7 Nd7 Se9 Nd7 -164.52(7) . 2_556
Se8 Nd7 Se9 Nd7 18.83(6) 2_556 2_556
Se3 Nd7 Se9 Nd7 -40.679(16) 2_556 2_556
Se18 Nd7 Se9 Nd7 115.92(5) . 2_556
Se28 Nd7 Se9 Nd7 127.96(3) . 2_556
Se26 Nd7 Se9 Nd7 -131.09(6) . 2_556
Se16 Nd7 Se9 Nd7 -131.64(4) . 2_556
Se2 Nd7 Se9 Nd7 42.810(15) . 2_556
N7 Nd7 Se9 Nd8 -83.88(7) . 2_556
Se8 Nd7 Se9 Nd8 99.47(6) 2_556 2_556
Se3 Nd7 Se9 Nd8 39.96(3) 2_556 2_556
Se18 Nd7 Se9 Nd8 -163.44(5) . 2_556
Se28 Nd7 Se9 Nd8 -151.40(4) . 2_556
Se26 Nd7 Se9 Nd8 -50.45(6) . 2_556
Se16 Nd7 Se9 Nd8 -51.00(4) . 2_556
Se2 Nd7 Se9 Nd8 123.45(3) . 2_556
N7 Nd7 Se9 Nd8 114.85(7) . .
Se8 Nd7 Se9 Nd8 -61.80(7) 2_556 .
Se3 Nd7 Se9 Nd8 -121.31(3) 2_556 .
Se18 Nd7 Se9 Nd8 35.30(5) . .
Se28 Nd7 Se9 Nd8 47.33(3) . .
Se26 Nd7 Se9 Nd8 148.29(6) . .
Se16 Nd7 Se9 Nd8 147.73(5) . .
Se2 Nd7 Se9 Nd8 -37.82(3) . .
N7 Nd7 Se9 Na1A 15.48(7) . .
Se8 Nd7 Se9 Na1A -161.16(6) 2_556 .
Se3 Nd7 Se9 Na1A 139.328(16) 2_556 .
Se18 Nd7 Se9 Na1A -64.07(5) . .
Se28 Nd7 Se9 Na1A -52.03(3) . .
Se26 Nd7 Se9 Na1A 48.92(6) . .
Se16 Nd7 Se9 Na1A 48.37(4) . .
Se2 Nd7 Se9 Na1A -137.183(15) . .
N8 Nd8 Se9 Nd7 110.97(5) . 2_556
Se6 Nd8 Se9 Nd7 -61.97(7) . 2_556
Se2 Nd8 Se9 Nd7 -120.60(3) . 2_556
Se16 Nd8 Se9 Nd7 52.30(4) 2_556 2_556
Se18 Nd8 Se9 Nd7 164.45(5) . 2_556
Se26 Nd8 Se9 Nd7 51.14(4) 2_556 2_556
Se3 Nd8 Se9 Nd7 -37.73(3) . 2_556
Se28 Nd8 Se9 Nd7 153.84(4) . 2_556
N8 Nd8 Se9 Nd7 -88.43(5) . .
Se6 Nd8 Se9 Nd7 98.63(6) . .
Se2 Nd8 Se9 Nd7 40.00(3) . .
Se16 Nd8 Se9 Nd7 -147.11(5) 2_556 .
Se18 Nd8 Se9 Nd7 -34.95(5) . .
Se26 Nd8 Se9 Nd7 -148.26(5) 2_556 .
Se3 Nd8 Se9 Nd7 122.86(3) . .
Se28 Nd8 Se9 Nd7 -45.57(3) . .
N8 Nd8 Se9 Nd8 -168.73(4) . 2_556
Se6 Nd8 Se9 Nd8 18.33(6) . 2_556
Se2 Nd8 Se9 Nd8 -40.300(16) . 2_556
Se16 Nd8 Se9 Nd8 132.60(3) 2_556 2_556
Se18 Nd8 Se9 Nd8 -115.25(4) . 2_556
Se26 Nd8 Se9 Nd8 131.44(4) 2_556 2_556
Se3 Nd8 Se9 Nd8 42.567(15) . 2_556
Se28 Nd8 Se9 Nd8 -125.86(3) . 2_556
N8 Nd8 Se9 Na1A 11.27(4) . .
Se6 Nd8 Se9 Na1A -161.67(6) . .
Se2 Nd8 Se9 Na1A 139.699(16) . .
Se16 Nd8 Se9 Na1A -47.41(3) 2_556 .
Se18 Nd8 Se9 Na1A 64.75(4) . .
Se26 Nd8 Se9 Na1A -48.56(4) 2_556 .
Se3 Nd8 Se9 Na1A -137.435(15) . .
Se28 Nd8 Se9 Na1A 54.13(3) . .
N5 Nd5 Se10 Nd5 165.01(9) . 2_556
Se5 Nd5 Se10 Nd5 -22.08(6) . 2_556
Se4 Nd5 Se10 Nd5 39.965(16) 2_556 2_556
Se27 Nd5 Se10 Nd5 -135.56(5) . 2_556
Se25 Nd5 Se10 Nd5 132.85(6) 2_556 2_556
Se17 Nd5 Se10 Nd5 -115.97(3) . 2_556
Se1 Nd5 Se10 Nd5 -42.754(15) . 2_556
Se15 Nd5 Se10 Nd5 129.02(4) 2_556 2_556
N5 Nd5 Se10 Nd6 84.74(9) . 2_556
Se5 Nd5 Se10 Nd6 -102.35(6) . 2_556
Se4 Nd5 Se10 Nd6 -40.30(3) 2_556 2_556
Se27 Nd5 Se10 Nd6 144.17(6) . 2_556
Se25 Nd5 Se10 Nd6 52.58(6) 2_556 2_556
Se17 Nd5 Se10 Nd6 163.76(4) . 2_556
Se1 Nd5 Se10 Nd6 -123.02(3) . 2_556
Se15 Nd5 Se10 Nd6 48.75(4) 2_556 2_556
N5 Nd5 Se10 Nd6 -114.69(9) . .
Se5 Nd5 Se10 Nd6 58.21(7) . .
Se4 Nd5 Se10 Nd6 120.26(3) 2_556 .
Se27 Nd5 Se10 Nd6 -55.27(5) . .
Se25 Nd5 Se10 Nd6 -146.86(6) 2_556 .
Se17 Nd5 Se10 Nd6 -35.68(3) . .
Se1 Nd5 Se10 Nd6 37.54(2) . .
Se15 Nd5 Se10 Nd6 -150.69(5) 2_556 .
N5 Nd5 Se10 Na1B -14.99(9) . .
Se5 Nd5 Se10 Na1B 157.92(6) . .
Se4 Nd5 Se10 Na1B -140.037(16) 2_556 .
Se27 Nd5 Se10 Na1B 44.44(5) . .
Se25 Nd5 Se10 Na1B -47.15(6) 2_556 .
Se17 Nd5 Se10 Na1B 64.03(3) . .
Se1 Nd5 Se10 Na1B 137.245(15) . .
Se15 Nd5 Se10 Na1B -50.98(4) 2_556 .
N6 Nd6 Se10 Nd5 -113.73(6) . 2_556
Se7 Nd6 Se10 Nd5 56.94(7) . 2_556
Se1 Nd6 Se10 Nd5 120.18(3) . 2_556
Se15 Nd6 Se10 Nd5 -52.19(4) . 2_556
Se25 Nd6 Se10 Nd5 -51.42(6) . 2_556
Se17 Nd6 Se10 Nd5 -164.42(4) . 2_556
Se27 Nd6 Se10 Nd5 -147.25(6) . 2_556
Se4 Nd6 Se10 Nd5 37.59(2) . 2_556
N6 Nd6 Se10 Nd5 85.77(6) . .
Se7 Nd6 Se10 Nd5 -103.56(6) . .
Se1 Nd6 Se10 Nd5 -40.32(3) . .
Se15 Nd6 Se10 Nd5 147.32(5) . .
Se25 Nd6 Se10 Nd5 148.09(6) . .
Se17 Nd6 Se10 Nd5 35.08(3) . .
Se27 Nd6 Se10 Nd5 52.26(5) . .
Se4 Nd6 Se10 Nd5 -122.91(3) . .
N6 Nd6 Se10 Nd6 166.02(5) . 2_556
Se7 Nd6 Se10 Nd6 -23.31(6) . 2_556
Se1 Nd6 Se10 Nd6 39.932(16) . 2_556
Se15 Nd6 Se10 Nd6 -132.44(4) . 2_556
Se25 Nd6 Se10 Nd6 -131.67(5) . 2_556
Se17 Nd6 Se10 Nd6 115.33(3) . 2_556
Se27 Nd6 Se10 Nd6 132.50(5) . 2_556
Se4 Nd6 Se10 Nd6 -42.660(15) . 2_556
N6 Nd6 Se10 Na1B -13.97(5) . .
Se7 Nd6 Se10 Na1B 156.70(6) . .
Se1 Nd6 Se10 Na1B -140.056(16) . .
Se15 Nd6 Se10 Na1B 47.58(4) . .
Se25 Nd6 Se10 Na1B 48.34(5) . .
Se17 Nd6 Se10 Na1B -64.66(3) . .
Se27 Nd6 Se10 Na1B -47.49(5) . .
Se4 Nd6 Se10 Na1B 137.352(15) . .
N2 Nd2 Se11 C1 -21.4(3) . .
Se5 Nd2 Se11 C1 -110.5(3) . .
Se6 Nd2 Se11 C1 71.5(3) . .
Se1 Nd2 Se11 C1 170.0(3) . .
Se12 Nd2 Se11 C1 -16.7(3) . .
Se2 Nd2 Se11 C1 145.2(3) . .
N2 Nd2 Se11 Nd3 -132.38(4) . .
Se5 Nd2 Se11 Nd3 138.50(3) . .
Se6 Nd2 Se11 Nd3 -39.52(2) . .
Se1 Nd2 Se11 Nd3 59.04(2) . .
Se12 Nd2 Se11 Nd3 -127.68(7) . .
Se2 Nd2 Se11 Nd3 34.20(4) . .
N3 Nd3 Se11 C1 23.3(3) . .
Se6 Nd3 Se11 C1 -70.0(3) . .
Se7 Nd3 Se11 C1 111.3(3) . .
Se3 Nd3 Se11 C1 -143.5(3) . .
Se13 Nd3 Se11 C1 23.7(3) . .
Se1 Nd3 Se11 C1 -166.8(3) . .
N3 Nd3 Se11 Nd2 133.34(9) . .
Se6 Nd3 Se11 Nd2 40.06(2) . .
Se7 Nd3 Se11 Nd2 -138.65(2) . .
Se3 Nd3 Se11 Nd2 -33.47(5) . .
Se13 Nd3 Se11 Nd2 133.75(7) . .
Se1 Nd3 Se11 Nd2 -56.76(2) . .
Nd2 Se11 C1 C6 -46.2(10) . .
Nd3 Se11 C1 C6 40.4(10) . .
Nd2 Se11 C1 C2 131.1(8) . .
Nd3 Se11 C1 C2 -142.3(8) . .
C6 C1 C2 C3 0.6(17) . .
Se11 C1 C2 C3 -176.7(9) . .
C1 C2 C3 C4 -2.6(19) . .
C2 C3 C4 C5 3(2) . .
C3 C4 C5 C6 -2(2) . .
C2 C1 C6 C5 0.8(16) . .
Se11 C1 C6 C5 178.0(8) . .
C4 C5 C6 C1 -0.1(18) . .
N2 Nd2 Se12 C7 -22.9(3) . .
Se5 Nd2 Se12 C7 69.2(3) . .
Se6 Nd2 Se12 C7 -113.2(3) . .
Se1 Nd2 Se12 C7 143.4(3) . .
Se11 Nd2 Se12 C7 -27.6(3) . .
Se2 Nd2 Se12 C7 165.9(3) . .
N2 Nd2 Se12 Nd1 -132.47(4) . .
Se5 Nd2 Se12 Nd1 -40.35(2) . .
Se6 Nd2 Se12 Nd1 137.26(3) . .
Se1 Nd2 Se12 Nd1 33.83(5) . .
Se11 Nd2 Se12 Nd1 -137.14(7) . .
Se2 Nd2 Se12 Nd1 56.32(2) . .
N1 Nd1 Se12 C7 24.9(3) . .
Se8 Nd1 Se12 C7 112.3(3) 2_556 .
Se5 Nd1 Se12 C7 -67.8(3) . .
Se2 Nd1 Se12 C7 -167.8(3) . .
Se14 Nd1 Se12 C7 16.9(3) 2_556 .
Se4 Nd1 Se12 C7 -142.1(3) 2_556 .
N1 Nd1 Se12 Nd2 133.09(6) . .
Se8 Nd1 Se12 Nd2 -139.56(3) 2_556 .
Se5 Nd1 Se12 Nd2 40.33(2) . .
Se2 Nd1 Se12 Nd2 -59.63(2) . .
Se14 Nd1 Se12 Nd2 125.00(7) 2_556 .
Se4 Nd1 Se12 Nd2 -33.94(5) 2_556 .
Nd2 Se12 C7 C12 -43.3(9) . .
Nd1 Se12 C7 C12 41.5(9) . .
Nd2 Se12 C7 C8 138.8(7) . .
Nd1 Se12 C7 C8 -136.5(7) . .
C12 C7 C8 C9 -0.3(16) . .
Se12 C7 C8 C9 177.7(9) . .
C7 C8 C9 C10 -2.2(18) . .
C8 C9 C10 C11 3(2) . .
C9 C10 C11 C12 -1(2) . .
C8 C7 C12 C11 2.3(16) . .
Se12 C7 C12 C11 -175.6(8) . .
C10 C11 C12 C7 -1.8(17) . .
N4 Nd4 Se13 C13 -17.2(4) . .
Se7 Nd4 Se13 C13 73.2(3) . .
Se8 Nd4 Se13 C13 -108.0(3) . .
Se4 Nd4 Se13 C13 147.3(3) . .
Se14 Nd4 Se13 C13 -22.0(4) . .
Se3 Nd4 Se13 C13 170.2(3) . .
N4 Nd4 Se13 Nd3 -130.04(8) . .
Se7 Nd4 Se13 Nd3 -39.65(2) . .
Se8 Nd4 Se13 Nd3 139.13(2) . .
Se4 Nd4 Se13 Nd3 34.45(4) . .
Se14 Nd4 Se13 Nd3 -134.87(7) . .
Se3 Nd4 Se13 Nd3 57.35(2) . .
N3 Nd3 Se13 C13 19.4(4) . .
Se6 Nd3 Se13 C13 110.0(4) . .
Se7 Nd3 Se13 C13 -71.2(4) . .
Se3 Nd3 Se13 C13 -170.6(4) . .
Se11 Nd3 Se13 C13 19.0(4) . .
Se1 Nd3 Se13 C13 -147.0(4) . .
N3 Nd3 Se13 Nd4 130.10(9) . .
Se6 Nd3 Se13 Nd4 -139.33(2) . .
Se7 Nd3 Se13 Nd4 39.52(2) . .
Se3 Nd3 Se13 Nd4 -59.94(2) . .
Se11 Nd3 Se13 Nd4 129.68(7) . .
Se1 Nd3 Se13 Nd4 -36.31(4) . .
Nd4 Se13 C13 C18 -50.7(12) . .
Nd3 Se13 C13 C18 36.8(13) . .
Nd4 Se13 C13 C14 131.3(10) . .
Nd3 Se13 C13 C14 -141.2(10) . .
C18 C13 C14 C15 2(2) . .
Se13 C13 C14 C15 -179.7(14) . .
C13 C14 C15 C16 7(3) . .
C14 C15 C16 C17 -19(3) . .
C15 C16 C17 C18 20(3) . .
C14 C13 C18 C17 -1(2) . .
Se13 C13 C18 C17 -178.7(12) . .
C16 C17 C18 C13 -10(3) . .
N4 Nd4 Se14 C19 -21.1(3) . .
Se7 Nd4 Se14 C19 -108.9(3) . .
Se8 Nd4 Se14 C19 72.1(3) . .
Se4 Nd4 Se14 C19 171.9(3) . .
Se13 Nd4 Se14 C19 -16.3(3) . .
Se3 Nd4 Se14 C19 147.6(3) . .
N4 Nd4 Se14 Nd1 -132.84(8) . 2_556
Se7 Nd4 Se14 Nd1 139.40(2) . 2_556
Se8 Nd4 Se14 Nd1 -39.60(2) . 2_556
Se4 Nd4 Se14 Nd1 60.17(2) . 2_556
Se13 Nd4 Se14 Nd1 -127.99(7) . 2_556
Se3 Nd4 Se14 Nd1 35.87(4) . 2_556
Nd1 Se14 C19 C24 47.6(9) 2_556 .
Nd4 Se14 C19 C24 -39.1(9) . .
Nd1 Se14 C19 C20 -137.0(7) 2_556 .
Nd4 Se14 C19 C20 136.3(7) . .
C24 C19 C20 C21 0.5(17) . .
Se14 C19 C20 C21 -174.9(9) . .
C19 C20 C21 C22 3.2(19) . .
C20 C21 C22 C23 -6(2) . .
C21 C22 C23 C24 5(2) . .
C20 C19 C24 C23 -1.4(16) . .
Se14 C19 C24 C23 173.9(8) . .
C22 C23 C24 C19 -1.5(18) . .
Se8 Nd1 N1 C53 141.4(4) 2_556 .
Se5 Nd1 N1 C53 -36.8(4) . .
Se2 Nd1 N1 C53 -139.2(4) . .
Se14 Nd1 N1 C53 57.3(4) 2_556 .
Se12 Nd1 N1 C53 -119.4(4) . .
Se4 Nd1 N1 C53 45.9(4) 2_556 .
Se8 Nd1 N1 C49 -45.3(3) 2_556 .
Se5 Nd1 N1 C49 136.6(3) . .
Se2 Nd1 N1 C49 34.1(3) . .
Se14 Nd1 N1 C49 -129.4(3) 2_556 .
Se12 Nd1 N1 C49 53.9(2) . .
Se4 Nd1 N1 C49 -140.8(2) 2_556 .
C53 N1 C49 C50 1.9(6) . .
Nd1 N1 C49 C50 -171.8(3) . .
N1 C49 C50 C51 0.0(5) . .
C49 C50 C51 C52 -4.1(5) . .
C50 C51 C52 C53 6.2(6) . .
C49 N1 C53 C52 0.3(7) . .
Nd1 N1 C53 C52 173.7(4) . .
C51 C52 C53 N1 -4.2(8) . .
Se5 Nd2 N2 C58 37.6(3) . .
Se6 Nd2 N2 C58 -143.4(3) . .
Se1 Nd2 N2 C58 -42.9(4) . .
Se12 Nd2 N2 C58 121.4(3) . .
Se11 Nd2 N2 C58 -60.5(3) . .
Se2 Nd2 N2 C58 135.3(3) . .
Se5 Nd2 N2 C54 -141.74(18) . .
Se6 Nd2 N2 C54 37.28(18) . .
Se1 Nd2 N2 C54 137.75(14) . .
Se12 Nd2 N2 C54 -57.90(18) . .
Se11 Nd2 N2 C54 120.15(19) . .
Se2 Nd2 N2 C54 -44.0(2) . .
C58 N2 C54 C55 1.7(4) . .
Nd2 N2 C54 C55 -178.94(19) . .
N2 C54 C55 C56 -2.2(4) . .
C54 C55 C56 C57 4.0(5) . .
C55 C56 C57 C58 -5.2(5) . .
C54 N2 C58 C57 -2.8(6) . .
Nd2 N2 C58 C57 177.8(3) . .
C56 C57 C58 N2 4.6(6) . .
Se6 Nd3 N3 C63 -37.9(7) . .
Se7 Nd3 N3 C63 142.4(7) . .
Se3 Nd3 N3 C63 43.4(8) . .
Se11 Nd3 N3 C63 -121.2(7) . .
Se13 Nd3 N3 C63 59.0(7) . .
Se1 Nd3 N3 C63 -136.7(6) . .
Se6 Nd3 N3 C59 137.5(5) . .
Se7 Nd3 N3 C59 -42.1(6) . .
Se3 Nd3 N3 C59 -141.1(5) . .
Se11 Nd3 N3 C59 54.2(5) . .
Se13 Nd3 N3 C59 -125.6(6) . .
Se1 Nd3 N3 C59 38.7(7) . .
C63 N3 C59 C60 1.6(12) . .
Nd3 N3 C59 C60 -174.0(6) . .
N3 C59 C60 C61 -0.5(13) . .
C59 C60 C61 C62 2.6(13) . .
C60 C61 C62 C63 -5.7(14) . .
C59 N3 C63 C62 -4.7(13) . .
Nd3 N3 C63 C62 170.8(7) . .
C61 C62 C63 N3 6.9(15) . .
Se7 Nd4 N4 C68 -139.8(5) . .
Se8 Nd4 N4 C68 39.6(5) . .
Se4 Nd4 N4 C68 142.5(4) . .
Se13 Nd4 N4 C68 -55.7(5) . .
Se14 Nd4 N4 C68 122.5(5) . .
Se3 Nd4 N4 C68 -44.2(6) . .
Se7 Nd4 N4 C64 43.2(4) . .
Se8 Nd4 N4 C64 -137.4(4) . .
Se4 Nd4 N4 C64 -34.6(5) . .
Se13 Nd4 N4 C64 127.3(4) . .
Se14 Nd4 N4 C64 -54.6(4) . .
Se3 Nd4 N4 C64 138.7(3) . .
C68 N4 C64 C65 1.1(8) . .
Nd4 N4 C64 C65 178.3(4) . .
N4 C64 C65 C66 -1.2(9) . .
C64 C65 C66 C67 5.5(10) . .
C65 C66 C67 C68 -9.6(9) . .
C64 N4 C68 C67 -5.3(9) . .
Nd4 N4 C68 C67 177.6(4) . .
C66 C67 C68 N4 9.5(9) . .
Se5 Nd5 N5 C73 -118.7(5) . .
Se4 Nd5 N5 C73 163.9(4) 2_556 .
Se27 Nd5 N5 C73 6.7(5) . .
Se25 Nd5 N5 C73 89.4(5) 2_556 .
Se10 Nd5 N5 C73 58.3(5) . .
Se17 Nd5 N5 C73 -18.1(5) . .
Se1 Nd5 N5 C73 -70.9(5) . .
Se15 Nd5 N5 C73 93.0(5) 2_556 .
Se5 Nd5 N5 C69 61.8(3) . .
Se4 Nd5 N5 C69 -15.7(3) 2_556 .
Se27 Nd5 N5 C69 -172.8(3) . .
Se25 Nd5 N5 C69 -90.2(3) 2_556 .
Se10 Nd5 N5 C69 -121.2(2) . .
Se17 Nd5 N5 C69 162.3(3) . .
Se1 Nd5 N5 C69 109.5(3) . .
Se15 Nd5 N5 C69 -86.5(3) 2_556 .
C73 N5 C69 C70 -2.2(6) . .
Nd5 N5 C69 C70 177.4(3) . .
N5 C69 C70 C71 5.9(6) . .
C69 C70 C71 C72 -4.1(7) . .
C70 C71 C72 C73 -1.1(9) . .
C69 N5 C73 C72 -3.4(9) . .
Nd5 N5 C73 C72 177.0(4) . .
C71 C72 C73 N5 5.1(10) . .
Se7 Nd6 N6 C78 -109.3(3) . .
Se1 Nd6 N6 C78 173.5(3) . .
Se15 Nd6 N6 C78 10.9(3) . .
Se10 Nd6 N6 C78 66.7(3) . .
Se25 Nd6 N6 C78 13.2(3) . .
Se17 Nd6 N6 C78 121.8(3) . .
Se27 Nd6 N6 C78 97.4(3) . .
Se4 Nd6 N6 C78 -61.9(4) . .
Se7 Nd6 N6 C74 61.27(19) . .
Se1 Nd6 N6 C74 -15.9(2) . .
Se15 Nd6 N6 C74 -178.5(2) . .
Se10 Nd6 N6 C74 -122.72(19) . .
Se25 Nd6 N6 C74 -176.2(2) . .
Se17 Nd6 N6 C74 -67.57(19) . .
Se27 Nd6 N6 C74 -92.0(2) . .
Se4 Nd6 N6 C74 108.73(18) . .
C78 N6 C74 C75 -0.7(5) . .
Nd6 N6 C74 C75 -172.3(2) . .
N6 C74 C75 C76 3.4(4) . .
C74 C75 C76 C77 -6.1(5) . .
C75 C76 C77 C78 6.1(6) . .
C74 N6 C78 C77 0.5(6) . .
Nd6 N6 C78 C77 170.8(3) . .
C76 C77 C78 N6 -3.2(7) . .
Se8 Nd7 N7 C83 115.2(4) 2_556 .
Se3 Nd7 N7 C83 -168.0(4) 2_556 .
Se18 Nd7 N7 C83 12.5(4) . .
Se9 Nd7 N7 C83 -63.4(4) . .
Se28 Nd7 N7 C83 -0.6(4) . .
Se26 Nd7 N7 C83 -95.9(4) . .
Se16 Nd7 N7 C83 -94.9(4) . .
Se2 Nd7 N7 C83 67.2(4) . .
Se8 Nd7 N7 C79 -59.64(19) 2_556 .
Se3 Nd7 N7 C79 17.1(2) 2_556 .
Se18 Nd7 N7 C79 -162.4(2) . .
Se9 Nd7 N7 C79 121.75(18) . .
Se28 Nd7 N7 C79 -175.5(2) . .
Se26 Nd7 N7 C79 89.3(2) . .
Se16 Nd7 N7 C79 90.2(2) . .
Se2 Nd7 N7 C79 -107.7(2) . .
C83 N7 C79 C80 3.2(5) . .
Nd7 N7 C79 C80 178.5(2) . .
N7 C79 C80 C81 -4.5(5) . .
C79 C80 C81 C82 2.8(5) . .
C80 C81 C82 C83 0.0(6) . .
C79 N7 C83 C82 -0.1(7) . .
Nd7 N7 C83 C82 -175.0(3) . .
C81 C82 C83 N7 -1.4(7) . .
Se6 Nd8 N8 C88 116.9(3) . .
Se2 Nd8 N8 C88 -167.5(3) . .
Se16 Nd8 N8 C88 -7.9(3) 2_556 .
Se18 Nd8 N8 C88 -117.1(3) . .
Se9 Nd8 N8 C88 -60.1(3) . .
Se26 Nd8 N8 C88 -6.7(3) 2_556 .
Se3 Nd8 N8 C88 64.5(3) . .
Se28 Nd8 N8 C88 -103.2(3) . .
Se6 Nd8 N8 C84 -54.30(14) . .
Se2 Nd8 N8 C84 21.24(17) . .
Se16 Nd8 N8 C84 -179.16(15) 2_556 .
Se18 Nd8 N8 C84 71.68(15) . .
Se9 Nd8 N8 C84 128.72(13) . .
Se26 Nd8 N8 C84 -177.94(15) 2_556 .
Se3 Nd8 N8 C84 -106.72(14) . .
Se28 Nd8 N8 C84 85.59(15) . .
C88 N8 C84 C85 1.5(4) . .
Nd8 N8 C84 C85 173.70(19) . .
N8 C84 C85 C86 -2.5(4) . .
C84 C85 C86 C87 2.2(4) . .
C85 C86 C87 C88 -1.0(4) . .
C84 N8 C88 C87 -0.2(5) . .
Nd8 N8 C88 C87 -171.1(2) . .
C86 C87 C88 N8 0.0(5) . .
Nd7 Se9 Na1A Se26 -45.44(4) 2_556 2_556
Nd7 Se9 Na1A Se26 134.56(4) . 2_556
Nd8 Se9 Na1A Se26 -135.43(4) 2_556 2_556
Nd8 Se9 Na1A Se26 44.57(4) . 2_556
Nd7 Se9 Na1A Se26 134.56(4) 2_556 .
Nd7 Se9 Na1A Se26 -45.44(4) . .
Nd8 Se9 Na1A Se26 44.57(4) 2_556 .
Nd8 Se9 Na1A Se26 -135.43(4) . .
Nd7 Se9 Na1A N9A 155.34(5) 2_556 2_556
Nd7 Se9 Na1A N9A -24.66(5) . 2_556
Nd8 Se9 Na1A N9A 65.35(5) 2_556 2_556
Nd8 Se9 Na1A N9A -114.65(5) . 2_556
Nd7 Se9 Na1A N9A -24.66(5) 2_556 .
Nd7 Se9 Na1A N9A 155.34(5) . .
Nd8 Se9 Na1A N9A -114.65(5) 2_556 .
Nd8 Se9 Na1A N9A 65.35(5) . .
N6 Nd6 Se15 C25A -57.94(10) . .
Se7 Nd6 Se15 C25A 10.20(11) . .
Se1 Nd6 Se15 C25A 150.05(9) . .
Se10 Nd6 Se15 C25A 164.33(10) . .
Se25 Nd6 Se15 C25A 155.1(9) . .
Se17 Nd6 Se15 C25A -123.11(9) . .
Se27 Nd6 Se15 C25A -132.78(10) . .
Se4 Nd6 Se15 C25A 87.22(9) . .
N6 Nd6 Se15 Nd5 -173.59(5) . 2_556
Se7 Nd6 Se15 Nd5 -105.45(3) . 2_556
Se1 Nd6 Se15 Nd5 34.40(8) . 2_556
Se10 Nd6 Se15 Nd5 48.69(3) . 2_556
Se25 Nd6 Se15 Nd5 39.4(9) . 2_556
Se17 Nd6 Se15 Nd5 121.25(3) . 2_556
Se27 Nd6 Se15 Nd5 111.57(5) . 2_556
Se4 Nd6 Se15 Nd5 -28.43(3) . 2_556
Nd6 Se15 C25A C30A -9.0(3) . .
Nd5 Se15 C25A C30A 87.9(3) 2_556 .
Nd6 Se15 C25A C26A 171.0(3) . .
Nd5 Se15 C25A C26A -92.1(3) 2_556 .
C30A C25A C26A C27A 0.00(6) . .
Se15 C25A C26A C27A 180.00(4) . .
C25A C26A C27A C28A 0.00(9) . .
C26A C27A C28A C29A 0.00(12) . .
C27A C28A C29A C30A 0.00(13) . .
C26A C25A C30A C29A 0.00(9) . .
Se15 C25A C30A C29A 180.00(6) . .
C28A C29A C30A C25A 0.00(12) . .
N7 Nd7 Se26 C31B -29.7(2) . .
Se8 Nd7 Se26 C31B 12.4(2) 2_556 .
Se3 Nd7 Se26 C31B 96.7(2) 2_556 .
Se18 Nd7 Se26 C31B -111.9(2) . .
Se9 Nd7 Se26 C31B 176.7(2) . .
Se28 Nd7 Se26 C31B -112.9(2) . .
Se16 Nd7 Se26 C31B -158(3) . .
Se2 Nd7 Se26 C31B 166.82(18) . .
N7 Nd7 Se26 Nd8 -156.19(8) . 2_556
Se8 Nd7 Se26 Nd8 -114.12(4) 2_556 2_556
Se3 Nd7 Se26 Nd8 -29.78(5) 2_556 2_556
Se18 Nd7 Se26 Nd8 121.59(5) . 2_556
Se9 Nd7 Se26 Nd8 50.26(3) . 2_556
Se28 Nd7 Se26 Nd8 120.60(6) . 2_556
Se16 Nd7 Se26 Nd8 76(3) . 2_556
Se2 Nd7 Se26 Nd8 40.36(12) . 2_556
N7 Nd7 Se26 Na1A 110.80(14) . .
Se8 Nd7 Se26 Na1A 152.88(12) 2_556 .
Se3 Nd7 Se26 Na1A -122.79(12) 2_556 .
Se18 Nd7 Se26 Na1A 28.59(13) . .
Se9 Nd7 Se26 Na1A -42.75(12) . .
Se28 Nd7 Se26 Na1A 27.59(13) . .
Se16 Nd7 Se26 Na1A -17(3) . .
Se2 Nd7 Se26 Na1A -52.65(16) . .
Se9 Na1A Se26 C31B 174.26(18) . .
Se26 Na1A Se26 C31B 174.26(18) 2_556 .
N9A Na1A Se26 C31B 10.98(17) 2_556 .
N9A Na1A Se26 C31B -53.9(7) . .
Se9 Na1A Se26 Nd8 -43.68(4) . 2_556
Se26 Na1A Se26 Nd8 -43.68(4) 2_556 2_556
N9A Na1A Se26 Nd8 153.05(8) 2_556 2_556
N9A Na1A Se26 Nd8 88.1(7) . 2_556
Se9 Na1A Se26 Nd7 43.55(3) . .
Se26 Na1A Se26 Nd7 43.55(3) 2_556 .
N9A Na1A Se26 Nd7 -119.73(7) 2_556 .
N9A Na1A Se26 Nd7 175.4(7) . .
Nd8 Se26 C31B C36B 18.0(2) 2_556 .
Nd7 Se26 C31B C36B -87.7(3) . .
Na1A Se26 C31B C36B 150.6(3) . .
Nd8 Se26 C31B C32B -162.0(2) 2_556 .
Nd7 Se26 C31B C32B 92.3(2) . .
Na1A Se26 C31B C32B -29.3(3) . .
C36B C31B C32B C33B 0.00(6) . .
Se26 C31B C32B C33B 180.00(4) . .
C31B C32B C33B C34B 0.00(9) . .
C32B C33B C34B C35B -0.01(12) . .
C33B C34B C35B C36B 0.00(13) . .
C32B C31B C36B C35B -0.01(9) . .
Se26 C31B C36B C35B 180.00(6) . .
C34B C35B C36B C31B 0.00(12) . .
N5 Nd5 Se17 C37A 63.26(13) . .
Se5 Nd5 Se17 C37A 136.41(11) . .
Se4 Nd5 Se17 C37A -119.96(12) 2_556 .
Se27 Nd5 Se17 C37A -21.37(13) . .
Se25 Nd5 Se17 C37A -5.64(12) 2_556 .
Se10 Nd5 Se17 C37A -67.70(11) . .
Se1 Nd5 Se17 C37A -146.12(11) . .
Se15 Nd5 Se17 C37A -6.06(11) 2_556 .
N5 Nd5 Se17 Nd6 165.85(8) . .
Se5 Nd5 Se17 Nd6 -121.00(3) . .
Se4 Nd5 Se17 Nd6 -17.37(9) 2_556 .
Se27 Nd5 Se17 Nd6 81.22(9) . .
Se25 Nd5 Se17 Nd6 96.95(6) 2_556 .
Se10 Nd5 Se17 Nd6 34.89(3) . .
Se1 Nd5 Se17 Nd6 -43.53(3) . .
Se15 Nd5 Se17 Nd6 96.54(4) 2_556 .
N6 Nd6 Se17 C37A -60.28(17) . .
Se7 Nd6 Se17 C37A -117.37(16) . .
Se1 Nd6 Se17 C37A 162.34(16) . .
Se15 Nd6 Se17 C37A 15.70(16) . .
Se10 Nd6 Se17 C37A 80.46(16) . .
Se25 Nd6 Se17 C37A 20.16(17) . .
Se27 Nd6 Se17 C37A 40.07(18) . .
Se4 Nd6 Se17 C37A 123.88(16) . .
N6 Nd6 Se17 Nd5 -175.63(6) . .
Se7 Nd6 Se17 Nd5 127.28(3) . .
Se1 Nd6 Se17 Nd5 46.99(3) . .
Se15 Nd6 Se17 Nd5 -99.65(5) . .
Se10 Nd6 Se17 Nd5 -34.89(3) . .
Se25 Nd6 Se17 Nd5 -95.19(5) . .
Se27 Nd6 Se17 Nd5 -75.28(9) . .
Se4 Nd6 Se17 Nd5 8.53(9) . .
Nd5 Se17 C37A C42A 23.78(12) . .
Nd6 Se17 C37A C42A -68.74(13) . .
Nd5 Se17 C37A C38A -156.22(11) . .
Nd6 Se17 C37A C38A 111.26(12) . .
C42A C37A C38A C39A 0.00(6) . .
Se17 C37A C38A C39A 180.00(4) . .
C37A C38A C39A C40A 0.00(9) . .
C38A C39A C40A C41A 0.01(12) . .
C39A C40A C41A C42A -0.01(13) . .
C38A C37A C42A C41A 0.00(9) . .
Se17 C37A C42A C41A 180.00(5) . .
C40A C41A C42A C37A 0.01(12) . .
N7 Nd7 Se28 C43B 55.85(9) . .
Se8 Nd7 Se28 C43B -13.17(8) 2_556 .
Se3 Nd7 Se28 C43B -146.10(9) 2_556 .
Se18 Nd7 Se28 C43B -49.9(2) . .
Se9 Nd7 Se28 C43B -169.20(8) . .
Se26 Nd7 Se28 C43B 126.05(8) . .
Se16 Nd7 Se28 C43B 126.87(8) . .
Se2 Nd7 Se28 C43B -90.75(8) . .
N7 Nd7 Se28 Nd8 179.93(7) . .
Se8 Nd7 Se28 Nd8 110.91(4) 2_556 .
Se3 Nd7 Se28 Nd8 -22.02(10) 2_556 .
Se18 Nd7 Se28 Nd8 74.16(18) . .
Se9 Nd7 Se28 Nd8 -45.12(4) . .
Se26 Nd7 Se28 Nd8 -109.87(4) . .
Se16 Nd7 Se28 Nd8 -109.05(4) . .
Se2 Nd7 Se28 Nd8 33.33(3) . .
N8 Nd8 Se28 C43B -51.99(13) . .
Se6 Nd8 Se28 C43B -0.46(14) . .
Se2 Nd8 Se28 C43B 80.84(13) . .
Se16 Nd8 Se28 C43B -134.01(14) 2_556 .
Se18 Nd8 Se28 C43B 34.8(3) . .
Se9 Nd8 Se28 C43B 161.80(14) . .
Se26 Nd8 Se28 C43B -133.83(14) 2_556 .
Se3 Nd8 Se28 C43B 141.48(13) . .
N8 Nd8 Se28 Nd7 -168.29(6) . .
Se6 Nd8 Se28 Nd7 -116.76(4) . .
Se2 Nd8 Se28 Nd7 -35.47(4) . .
Se16 Nd8 Se28 Nd7 109.69(6) 2_556 .
Se18 Nd8 Se28 Nd7 -81.5(2) . .
Se9 Nd8 Se28 Nd7 45.49(4) . .
Se26 Nd8 Se28 Nd7 109.87(7) 2_556 .
Se3 Nd8 Se28 Nd7 25.17(9) . .
Nd7 Se28 C43B C48B -179.8(2) . .
Nd8 Se28 C43B C48B 78.8(2) . .
Nd7 Se28 C43B C44B 0.2(2) . .
Nd8 Se28 C43B C44B -101.2(2) . .
C48B C43B C44B C45B 0.00(6) . .
Se28 C43B C44B C45B 180.00(4) . .
C43B C44B C45B C46B 0.01(9) . .
C44B C45B C46B C47B -0.02(13) . .
C45B C46B C47B C48B 0.02(13) . .
C44B C43B C48B C47B 0.01(9) . .
Se28 C43B C48B C47B 180.00(6) . .
C46B C47B C48B C43B -0.01(13) . .
Se9 Na1A N9A C93A 92.7(3) . .
Se26 Na1A N9A C93A 112.2(3) 2_556 .
Se26 Na1A N9A C93A -27.4(8) . .
N9A Na1A N9A C93A -87.3(3) 2_556 .
Se9 Na1A N9A C89A -106.71(17) . .
Se26 Na1A N9A C89A -87.2(2) 2_556 .
Se26 Na1A N9A C89A 133.2(6) . .
N9A Na1A N9A C89A 73.29(17) 2_556 .
C93A N9A C89A C90A 4.9(4) . .
Na1A N9A C89A C90A -156.2(3) . .
N9A C89A C90A C91A -10.3(4) . .
C89A C90A C91A C92A 6.3(4) . .
C90A C91A C92A C93A 2.6(5) . .
C89A N9A C93A C92A 4.6(6) . .
Na1A N9A C93A C92A 165.7(4) . .
C91A C92A C93A N9A -8.4(6) . .
C98A N10A C94A C95A -1.4(5) . .
N10A C94A C95A C96A -8.3(5) . .
C94A C95A C96A C97A 8.5(5) . .
C95A C96A C97A C98A 0.5(6) . .
C94A N10A C98A C97A 11.0(6) . .
C96A C97A C98A N10A -10.8(6) . .
Nd5 Se10 Na1B Se27 -42.40(2) 2_556 2_556
Nd5 Se10 Na1B Se27 137.60(2) . 2_556
Nd6 Se10 Na1B Se27 47.54(2) 2_556 2_556
Nd6 Se10 Na1B Se27 -132.46(2) . 2_556
Nd5 Se10 Na1B Se27 137.60(2) 2_556 .
Nd5 Se10 Na1B Se27 -42.40(2) . .
Nd6 Se10 Na1B Se27 -132.46(2) 2_556 .
Nd6 Se10 Na1B Se27 47.54(2) . .
Nd5 Se10 Na1B Se25 -135.97(6) 2_556 2_556
Nd5 Se10 Na1B Se25 44.03(6) . 2_556
Nd6 Se10 Na1B Se25 -46.02(6) 2_556 2_556
Nd6 Se10 Na1B Se25 133.98(6) . 2_556
Nd5 Se10 Na1B Se25 44.03(6) 2_556 .
Nd5 Se10 Na1B Se25 -135.97(6) . .
Nd6 Se10 Na1B Se25 133.98(6) 2_556 .
Nd6 Se10 Na1B Se25 -46.02(6) . .
Nd5 Se10 Na1B N9B 32.66(3) 2_556 2_556
Nd5 Se10 Na1B N9B -147.34(3) . 2_556
Nd6 Se10 Na1B N9B 122.61(3) 2_556 2_556
Nd6 Se10 Na1B N9B -57.40(3) . 2_556
Nd5 Se10 Na1B N9B -147.34(3) 2_556 .
Nd5 Se10 Na1B N9B 32.66(3) . .
Nd6 Se10 Na1B N9B -57.39(3) 2_556 .
Nd6 Se10 Na1B N9B 122.60(3) . .
N6 Nd6 Se25 C25B -50.08(14) . .
Se7 Nd6 Se25 C25B 19.25(16) . .
Se1 Nd6 Se25 C25B 158.26(11) . .
Se15 Nd6 Se25 C25B -17.2(8) . .
Se10 Nd6 Se25 C25B 172.31(15) . .
Se17 Nd6 Se25 C25B -116.70(13) . .
Se27 Nd6 Se25 C25B -124.69(14) . .
Se4 Nd6 Se25 C25B 94.49(14) . .
N6 Nd6 Se25 Nd5 -170.79(6) . 2_556
Se7 Nd6 Se25 Nd5 -101.46(4) . 2_556
Se1 Nd6 Se25 Nd5 37.55(9) . 2_556
Se15 Nd6 Se25 Nd5 -137.9(9) . 2_556
Se10 Nd6 Se25 Nd5 51.60(3) . 2_556
Se17 Nd6 Se25 Nd5 122.59(4) . 2_556
Se27 Nd6 Se25 Nd5 114.60(5) . 2_556
Se4 Nd6 Se25 Nd5 -26.22(3) . 2_556
N6 Nd6 Se25 Na1B 92.85(14) . .
Se7 Nd6 Se25 Na1B 162.18(12) . .
Se1 Nd6 Se25 Na1B -58.81(16) . .
Se15 Nd6 Se25 Na1B 125.7(9) . .
Se10 Nd6 Se25 Na1B -44.76(12) . .
Se17 Nd6 Se25 Na1B 26.23(14) . .
Se27 Nd6 Se25 Na1B 18.24(13) . .
Se4 Nd6 Se25 Na1B -122.58(13) . .
Se10 Na1B Se25 C25B -179.4(2) . .
Se27 Na1B Se25 C25B -114.1(2) 2_556 .
Se27 Na1B Se25 C25B 118.2(2) . .
Se25 Na1B Se25 C25B -179.4(2) 2_556 .
N9B Na1B Se25 C25B -8.96(19) 2_556 .
N9B Na1B Se25 C25B 45.3(11) . .
Se10 Na1B Se25 Nd5 -43.68(4) . 2_556
Se27 Na1B Se25 Nd5 21.58(15) 2_556 2_556
Se27 Na1B Se25 Nd5 -106.11(14) . 2_556
Se25 Na1B Se25 Nd5 -43.68(4) 2_556 2_556
N9B Na1B Se25 Nd5 126.71(9) 2_556 2_556
N9B Na1B Se25 Nd5 -179.1(10) . 2_556
Se10 Na1B Se25 Nd6 44.33(4) . .
Se27 Na1B Se25 Nd6 109.59(13) 2_556 .
Se27 Na1B Se25 Nd6 -18.10(15) . .
Se25 Na1B Se25 Nd6 44.33(4) 2_556 .
N9B Na1B Se25 Nd6 -145.28(8) 2_556 .
N9B Na1B Se25 Nd6 -91.1(11) . .
Nd5 Se25 C25B C30B 82.9(4) 2_556 .
Nd6 Se25 C25B C30B -20.8(3) . .
Na1B Se25 C25B C30B -148.8(4) . .
Nd5 Se25 C25B C26B -97.1(3) 2_556 .
Nd6 Se25 C25B C26B 159.2(3) . .
Na1B Se25 C25B C26B 31.2(4) . .
C30B C25B C26B C27B 0.00(6) . .
Se25 C25B C26B C27B 180.00(4) . .
C25B C26B C27B C28B 0.00(9) . .
C26B C27B C28B C29B 0.00(12) . .
C27B C28B C29B C30B 0.00(13) . .
C26B C25B C30B C29B 0.00(9) . .
Se25 C25B C30B C29B 180.00(5) . .
C28B C29B C30B C25B 0.00(12) . .
N7 Nd7 Se16 C31A -43.72(17) . .
Se8 Nd7 Se16 C31A -2.15(19) 2_556 .
Se3 Nd7 Se16 C31A 82.30(17) 2_556 .
Se18 Nd7 Se16 C31A -126.50(17) . .
Se9 Nd7 Se16 C31A 162.19(18) . .
Se28 Nd7 Se16 C31A -127.29(17) . .
Se26 Nd7 Se16 C31A 8(3) . .
Se2 Nd7 Se16 C31A 153.38(16) . .
N7 Nd7 Se16 Nd8 -154.77(6) . 2_556
Se8 Nd7 Se16 Nd8 -113.20(4) 2_556 2_556
Se3 Nd7 Se16 Nd8 -28.75(4) 2_556 2_556
Se18 Nd7 Se16 Nd8 122.45(4) . 2_556
Se9 Nd7 Se16 Nd8 51.14(3) . 2_556
Se28 Nd7 Se16 Nd8 121.66(5) . 2_556
Se26 Nd7 Se16 Nd8 -103(3) . 2_556
Se2 Nd7 Se16 Nd8 42.33(9) . 2_556
Nd8 Se16 C31A C36A 13.1(3) 2_556 .
Nd7 Se16 C31A C36A -82.2(3) . .
Nd8 Se16 C31A C32A -166.9(3) 2_556 .
Nd7 Se16 C31A C32A 97.8(3) . .
C36A C31A C32A C33A 0.00(6) . .
Se16 C31A C32A C33A 180.00(4) . .
C31A C32A C33A C34A -0.01(9) . .
C32A C33A C34A C35A 0.00(12) . .
C33A C34A C35A C36A 0.00(13) . .
C32A C31A C36A C35A 0.00(9) . .
Se16 C31A C36A C35A 180.00(6) . .
C34A C35A C36A C31A 0.00(13) . .
N5 Nd5 Se27 C37B -47.60(15) . .
Se5 Nd5 Se27 C37B 19.94(14) . .
Se4 Nd5 Se27 C37B 166.40(12) 2_556 .
Se25 Nd5 Se27 C37B -118.61(13) 2_556 .
Se10 Nd5 Se27 C37B 174.00(14) . .
Se17 Nd5 Se27 C37B 46.07(14) . .
Se1 Nd5 Se27 C37B 97.49(13) . .
Se15 Nd5 Se27 C37B -119.41(13) 2_556 .
N5 Nd5 Se27 Nd6 -169.38(10) . .
Se5 Nd5 Se27 Nd6 -101.85(5) . .
Se4 Nd5 Se27 Nd6 44.62(12) 2_556 .
Se25 Nd5 Se27 Nd6 119.61(7) 2_556 .
Se10 Nd5 Se27 Nd6 52.21(4) . .
Se17 Nd5 Se27 Nd6 -75.72(8) . .
Se1 Nd5 Se27 Nd6 -24.30(5) . .
Se15 Nd5 Se27 Nd6 118.80(6) 2_556 .
N5 Nd5 Se27 Na1B 94.71(15) . .
Se5 Nd5 Se27 Na1B 162.25(12) . .
Se4 Nd5 Se27 Na1B -51.29(15) 2_556 .
Se25 Nd5 Se27 Na1B 23.70(13) 2_556 .
Se10 Nd5 Se27 Na1B -43.69(13) . .
Se17 Nd5 Se27 Na1B -171.62(17) . .
Se1 Nd5 Se27 Na1B -120.20(13) . .
Se15 Nd5 Se27 Na1B 22.90(13) 2_556 .
N6 Nd6 Se27 C37B 41.51(16) . .
Se7 Nd6 Se27 C37B 0.85(19) . .
Se1 Nd6 Se27 C37B -84.70(16) . .
Se15 Nd6 Se27 C37B 126.42(17) . .
Se10 Nd6 Se27 C37B -164.34(17) . .
Se25 Nd6 Se27 C37B 130.57(17) . .
Se17 Nd6 Se27 C37B -30.23(16) . .
Se4 Nd6 Se27 C37B -157.20(15) . .
N6 Nd6 Se27 Nd5 152.44(8) . .
Se7 Nd6 Se27 Nd5 111.78(6) . .
Se1 Nd6 Se27 Nd5 26.23(6) . .
Se15 Nd6 Se27 Nd5 -122.66(7) . .
Se10 Nd6 Se27 Nd5 -53.41(5) . .
Se25 Nd6 Se27 Nd5 -118.51(8) . .
Se17 Nd6 Se27 Nd5 80.70(9) . .
Se4 Nd6 Se27 Nd5 -46.27(10) . .
N6 Nd6 Se27 Na1B -108.02(14) . .
Se7 Nd6 Se27 Na1B -148.67(13) . .
Se1 Nd6 Se27 Na1B 125.77(13) . .
Se15 Nd6 Se27 Na1B -23.11(13) . .
Se10 Nd6 Se27 Na1B 46.14(13) . .
Se25 Nd6 Se27 Na1B -18.96(14) . .
Se17 Nd6 Se27 Na1B -179.75(18) . .
Se4 Nd6 Se27 Na1B 53.28(14) . .
Se10 Na1B Se27 C37B 171.61(11) . .
Se27 Na1B Se27 C37B 171.61(11) 2_556 .
Se25 Na1B Se27 C37B 106.42(17) 2_556 .
Se25 Na1B Se27 C37B -126.03(15) . .
N9B Na1B Se27 C37B -68.5(2) 2_556 .
N9B Na1B Se27 C37B 41.7(2) . .
Se10 Na1B Se27 Nd5 43.14(4) . .
Se27 Na1B Se27 Nd5 43.14(4) 2_556 .
Se25 Na1B Se27 Nd5 -22.04(14) 2_556 .
Se25 Na1B Se27 Nd5 105.51(12) . .
N9B Na1B Se27 Nd5 163.1(2) 2_556 .
N9B Na1B Se27 Nd5 -86.79(17) . .
Se10 Na1B Se27 Nd6 -44.63(4) . .
Se27 Na1B Se27 Nd6 -44.63(4) 2_556 .
Se25 Na1B Se27 Nd6 -109.81(12) 2_556 .
Se25 Na1B Se27 Nd6 17.74(14) . .
N9B Na1B Se27 Nd6 75.3(3) 2_556 .
N9B Na1B Se27 Nd6 -174.56(14) . .
Nd5 Se27 C37B C42B 153.5(2) . .
Nd6 Se27 C37B C42B -108.3(2) . .
Na1B Se27 C37B C42B 28.5(2) . .
Nd5 Se27 C37B C38B -26.5(2) . .
Nd6 Se27 C37B C38B 71.7(2) . .
Na1B Se27 C37B C38B -151.6(2) . .
C42B C37B C38B C39B -0.01(6) . .
Se27 C37B C38B C39B 180.00(4) . .
C37B C38B C39B C40B 0.00(9) . .
C38B C39B C40B C41B 0.00(12) . .
C39B C40B C41B C42B 0.00(14) . .
C38B C37B C42B C41B 0.01(9) . .
Se27 C37B C42B C41B 180.00(5) . .
C40B C41B C42B C37B 0.00(13) . .
N7 Nd7 Se18 C43A -62.82(10) . .
Se8 Nd7 Se18 C43A -135.11(8) 2_556 .
Se3 Nd7 Se18 C43A 117.97(11) 2_556 .
Se9 Nd7 Se18 C43A 68.57(8) . .
Se28 Nd7 Se18 C43A 10.62(19) . .
Se26 Nd7 Se18 C43A 6.41(9) . .
Se16 Nd7 Se18 C43A 7.28(9) . .
Se2 Nd7 Se18 C43A 147.59(8) . .
N7 Nd7 Se18 Nd8 -166.69(7) . .
Se8 Nd7 Se18 Nd8 121.02(4) 2_556 .
Se3 Nd7 Se18 Nd8 14.10(11) 2_556 .
Se9 Nd7 Se18 Nd8 -35.30(4) . .
Se28 Nd7 Se18 Nd8 -93.25(19) . .
Se26 Nd7 Se18 Nd8 -97.46(5) . .
Se16 Nd7 Se18 Nd8 -96.58(5) . .
Se2 Nd7 Se18 Nd8 43.73(4) . .
N8 Nd8 Se18 C43A 58.20(15) . .
Se6 Nd8 Se18 C43A 118.87(14) . .
Se2 Nd8 Se18 C43A -162.25(15) . .
Se16 Nd8 Se18 C43A -18.73(16) 2_556 .
Se9 Nd8 Se18 C43A -80.68(15) . .
Se26 Nd8 Se18 C43A -18.49(16) 2_556 .
Se3 Nd8 Se18 C43A -123.62(15) . .
Se28 Nd8 Se18 C43A -30.3(2) . .
N8 Nd8 Se18 Nd7 174.10(7) . .
Se6 Nd8 Se18 Nd7 -125.22(4) . .
Se2 Nd8 Se18 Nd7 -46.34(4) . .
Se16 Nd8 Se18 Nd7 97.17(7) 2_556 .
Se9 Nd8 Se18 Nd7 35.23(4) . .
Se26 Nd8 Se18 Nd7 97.41(7) 2_556 .
Se3 Nd8 Se18 Nd7 -7.72(11) . .
Se28 Nd8 Se18 Nd7 85.6(2) . .
Nd7 Se18 C43A C48A 151.7(2) . .
Nd8 Se18 C43A C48A -113.3(2) . .
Nd7 Se18 C43A C44A -28.3(2) . .
Nd8 Se18 C43A C44A 66.7(2) . .
C48A C43A C44A C45A 0.00(6) . .
Se18 C43A C44A C45A 180.00(4) . .
C43A C44A C45A C46A 0.01(10) . .
C44A C45A C46A C47A -0.01(13) . .
C45A C46A C47A C48A 0.00(13) . .
C44A C43A C48A C47A 0.00(9) . .
Se18 C43A C48A C47A 180.00(6) . .
C46A C47A C48A C43A 0.00(13) . .
Se10 Na1B N9B C93B -97.3(4) . .
Se27 Na1B N9B C93B -170.9(4) 2_556 .
Se27 Na1B N9B C93B -39.3(4) . .
Se25 Na1B N9B C93B -108.0(4) 2_556 .
Se25 Na1B N9B C93B 31.7(12) . .
N9B Na1B N9B C93B 82.7(4) 2_556 .
Se10 Na1B N9B C89B 105.5(2) . .
Se27 Na1B N9B C89B 31.9(4) 2_556 .
Se27 Na1B N9B C89B 163.5(2) . .
Se25 Na1B N9B C89B 94.8(2) 2_556 .
Se25 Na1B N9B C89B -125.5(10) . .
N9B Na1B N9B C89B -74.5(2) 2_556 .
C93B N9B C89B C90B 2.3(5) . .
Na1B N9B C89B C90B 159.9(3) . .
N9B C89B C90B C91B -7.5(5) . .
C89B C90B C91B C92B 4.3(6) . .
C90B C91B C92B C93B 3.6(7) . .
C89B N9B C93B C92B 6.1(7) . .
Na1B N9B C93B C92B -151.5(4) . .
C91B C92B C93B N9B -9.1(8) . .
C98B N10B C94B C95B 5.9(6) . .
N10B C94B C95B C96B -7.2(6) . .
C94B C95B C96B C97B 8.0(6) . .
C95B C96B C97B C98B -7.7(7) . .
C94B N10B C98B C97B -5.3(9) . .
C96B C97B C98B N10B 6.2(9) . .
C115 N11A C111 C112 -6.3(8) . .
N11A C111 C112 C113 -1.5(7) . .
C111 C112 C113 C114 6.5(7) . .
C112 C113 C114 C115 -3.5(8) . .
C111 N11A C115 C114 9.4(11) . .
C113 C114 C115 N11A -4.8(11) . .
C215 N11B C211 C212 -2.3(5) . .
N11B C211 C212 C213 8.2(4) . .
C211 C212 C213 C214 -4.3(5) . .
C212 C213 C214 C215 -4.8(6) . .
C211 N11B C215 C214 -7.4(7) . .
C213 C214 C215 N11B 11.1(7) . .
C125 N12A C121 C122 -4.9(5) . .
N12A C121 C122 C123 10.3(6) . .
C121 C122 C123 C124 -4.6(7) . .
C122 C123 C124 C125 -5.7(6) . .
C121 N12A C125 C124 -6.1(6) . .
C123 C124 C125 N12A 11.4(6) . .
C225 N12B C221 C222 8.1(4) . .
N12B C221 C222 C223 -7.2(4) . .
C221 C222 C223 C224 6.7(4) . .
C222 C223 C224 C225 -7.3(5) . .
C221 N12B C225 C224 -8.4(6) . .
C223 C224 C225 N12B 8.2(7) . .
C135 N13A C131 C132 1.0(9) . .
N13A C131 C132 C133 7.7(9) . .
C131 C132 C133 C134 -7.4(12) . .
C132 C133 C134 C135 -1.0(14) . .
C131 N13A C135 C134 -10.0(13) . .
C133 C134 C135 N13A 10.2(14) . .
C235 N13B C231 C232 8.3(9) . .
N13B C231 C232 C233 -3.8(7) . .
C231 C232 C233 C234 -5.4(6) . .
C232 C233 C234 C235 9.6(8) . .
C231 N13B C235 C234 -3.9(11) . .
C233 C234 C235 N13B -4.8(12) . .
C145 N14 C141 C142 9.0(8) . .
N14 C141 C142 C143 -3.9(8) . .
C141 C142 C143 C144 -5.5(8) . .
C142 C143 C144 C145 9.3(9) . .
C141 N14 C145 C144 -5.0(11) . .
C143 C144 C145 N14 -3.8(12) . .
