#------------------------------------------------------------------------------
#$Date: 2019-07-26 03:04:54 +0300 (Fri, 26 Jul 2019) $
#$Revision: 217260 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/39/7123918.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_7123918
loop_
_publ_author_name
'Ivanov, Anton A.'
'Falaise, Clément'
'Landy, David'
'Haouas, Mohamed'
'Mironov, Yuri V.'
'Shestopalov, Michael A.'
'Cadot, Emmanuel'
_publ_section_title
;
 Tuning the chaotropic effect as an assembly motif through one-electron
 transfer in rhenium cluster
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC05136H
_journal_year                    2019
_chemical_formula_moiety
'C105 H109 K2.5 N9 O79.5 Re9 Se12, C6 N6 Re6 Se8, 0.5(O)'
_chemical_formula_sum            'C111 H109 K2.5 N15 O80 Re15 Se20'
_chemical_formula_weight         7403.08
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2019-03-28
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-06-28 deposited with the CCDC.    2019-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.247(4)
_cell_length_b                   35.747(4)
_cell_length_c                   17.7344(17)
_cell_measurement_reflns_used    9224
_cell_measurement_temperature    200
_cell_measurement_theta_max      26.273
_cell_measurement_theta_min      2.31
_cell_volume                     22345(4)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1199
_diffrn_reflns_av_unetI/netI     0.0741
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            512434
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.428
_diffrn_reflns_theta_min         0.811
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.467
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.3439
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1608 before and 0.0795 after correction. The Ratio of minimum to maximum transmission is 0.4614. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.201
_exptl_crystal_description       plate
_exptl_crystal_F_000             13490
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         4.644
_refine_diff_density_min         -5.084
_refine_diff_density_rms         0.383
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.194(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     891
_refine_ls_number_reflns         45816
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1377
_refine_ls_R_factor_gt           0.0819
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0761P)²+1332.8652P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1885
_refine_ls_wR_factor_ref         0.2308
_reflns_Friedel_coverage         0.875
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                31241
_reflns_number_total             45816
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc05136h2.cif
_cod_data_source_block           iaa444a
_cod_original_formula_sum        'C111 H109 K2.50 N15 O80 Re15 Se20'
_cod_database_code               7123918
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.657
_shelx_estimated_absorpt_t_min   0.340
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.806(18)
 0.194(18)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(C7E) = Uanis(C8E) = Uanis(C9E) = Uanis(C10E) = Uanis(C11E) = Uanis(C12E)
= Uanis(C6E) = Uanis(C5E) = Uanis(C4E) = Uanis(C3E) = Uanis(C2E) = Uanis(C1E) =
Uanis(C48E) = Uanis(C47E) = Uanis(C46E) = Uanis(C45E) = Uanis(C44E) =
Uanis(C43E) = Uanis(C42E) = Uanis(C41E) = Uanis(C40E) = Uanis(C39E) =
Uanis(C38E) = Uanis(C37E) = Uanis(C36E) = Uanis(C35E) = Uanis(C34E) =
Uanis(C33E) = Uanis(C32E) = Uanis(C31E) = Uanis(C30E) = Uanis(C29E) =
Uanis(C28E) = Uanis(C27E) = Uanis(C26E) = Uanis(C25E) = Uanis(C24E) =
Uanis(C23E) = Uanis(C22E) = Uanis(C21E) = Uanis(C20E) = Uanis(C19E) =
Uanis(C17E) = Uanis(C18E) = Uanis(C16E) = Uanis(C15E) = Uanis(C14E) =
Uanis(C13E) = Uanis(C7F) = Uanis(C8F) = Uanis(C9F) = Uanis(C10F) = Uanis(C11F)
= Uanis(C12F) = Uanis(C6F) = Uanis(C5F) = Uanis(C4F) = Uanis(C3F) = Uanis(C2F)
= Uanis(C1F) = Uanis(C48F) = Uanis(C47F) = Uanis(C44F) = Uanis(C43F) =
Uanis(C42F) = Uanis(C41F) = Uanis(C40F) = Uanis(C39F) = Uanis(C38F) =
Uanis(C37F) = Uanis(C36F) = Uanis(C35F) = Uanis(C34F) = Uanis(C33F) =
Uanis(C32F) = Uanis(C31F) = Uanis(C30F) = Uanis(C29F) = Uanis(C28F) =
Uanis(C27F) = Uanis(C26F) = Uanis(C25F) = Uanis(C24F) = Uanis(C23F) =
Uanis(C22F) = Uanis(C21F) = Uanis(C20F) = Uanis(C19F) = Uanis(C17F) =
Uanis(C18F) = Uanis(C16F) = Uanis(C15F) = Uanis(C14F) = Uanis(C13F) =
Uanis(C46F) = Uanis(C45F)
Uanis(O26E) = Uanis(O29E) = Uanis(O25E) = Uanis(O27E) = Uanis(O28E) =
Uanis(O30E) = Uanis(O31E) = Uanis(O34E) = Uanis(O32E) = Uanis(O33E) =
Uanis(O35E) = Uanis(O1E) = Uanis(O39E) = Uanis(O36E) = Uanis(O38E) =
Uanis(O37E) = Uanis(O40E) = Uanis(O2E) = Uanis(O3E) = Uanis(O4E) = Uanis(O5E) =
Uanis(O6E) = Uanis(O9E) = Uanis(O8E) = Uanis(O7E) = Uanis(O10E) = Uanis(O11E) =
Uanis(O14E) = Uanis(O13E) = Uanis(O12E) = Uanis(O15E) = Uanis(O17E) =
Uanis(O16E) = Uanis(O19E) = Uanis(O18E) = Uanis(O20E) = Uanis(O22E) =
Uanis(O23E) = Uanis(O24E) = Uanis(O21E) = Uanis(O26F) = Uanis(O29F) =
Uanis(O25F) = Uanis(O27F) = Uanis(O28F) = Uanis(O30F) = Uanis(O31F) =
Uanis(O34F) = Uanis(O32F) = Uanis(O33F) = Uanis(O35F) = Uanis(O1F) =
Uanis(O39F) = Uanis(O36F) = Uanis(O38F) = Uanis(O37F) = Uanis(O40F) =
Uanis(O2F) = Uanis(O3F) = Uanis(O4F) = Uanis(O5F) = Uanis(O6F) = Uanis(O9F) =
Uanis(O8F) = Uanis(O7F) = Uanis(O10F) = Uanis(O11F) = Uanis(O14F) = Uanis(O13F)
= Uanis(O12F) = Uanis(O15F) = Uanis(O17F) = Uanis(O16F) = Uanis(O19F) =
Uanis(O18F) = Uanis(O20F) = Uanis(O22F) = Uanis(O23F) = Uanis(O24F) =
Uanis(O21F)
Uanis(C6) = Uanis(C13) = Uanis(C14) = Uanis(C18) = Uanis(C17) = Uanis(C15) =
Uanis(C16) = Uanis(C22) = Uanis(C21) = Uanis(C20) = Uanis(C19) = Uanis(C1) =
Uanis(C2) = Uanis(C3) = Uanis(C4) = Uanis(C5)
Uanis(N6) = Uanis(N13) = Uanis(N14) = Uanis(N18) = Uanis(N17) = Uanis(N15) =
Uanis(N16) = Uanis(N22) = Uanis(N21) = Uanis(N20) = Uanis(N19) = Uanis(N1) =
Uanis(N2) = Uanis(N3) = Uanis(N4) = Uanis(N5)
Uanis(Re11) = Uanis(Re7)
Uiso(C9) = Uiso(N9) = Uiso(C11) = Uiso(N11) = Uiso(C10) = Uiso(N10) = Uiso(C8)
= Uiso(N8) = Uiso(C7) = Uiso(N7) = Uiso(C12) = Uiso(N12)
Uiso(C9) = Uiso(N9) = Uiso(C8) = Uiso(N8) = Uiso(C10) = Uiso(N10) = Uiso(C11) =
Uiso(N11) = Uiso(C12) = Uiso(N12) = Uiso(C7) = Uiso(N7)
Uanis(Se12) = Uanis(Se11) = Uanis(Se13) = Uanis(Se14) = Uanis(Se15) =
Uanis(Se16) = Uanis(Se10) = Uanis(Se9)
4. Others
 Fixed Sof: Re18(0.825) Re15(0.825) Re20(0.825) Re22(0.825) Se28(0.825)
 Se18(0.825) Se22(0.825) Se32(0.825) Se24(0.825) Se25(0.825) Se30(0.825)
 Se20(0.825) O36E(0.5) O1W(0.5) C15(0.825) N22(0.825) C20(0.825) N20(0.825)
 N15(0.825) C22(0.825) N18(0.825) C18(0.825) Re11(0.5) Re7(0.5) C16(0.175)
 N16(0.175) Re16(0.175) Se31(0.175) Re21(0.175) Se19(0.175) Re17(0.175)
 Se26(0.175) Se27(0.175) Se29(0.175) Re19(0.175) C21(0.175) Se17(0.175)
 C19(0.175) Se23(0.175) C17(0.175) Se21(0.175) N21(0.175) N19(0.175) N17(0.175)
 Se11(0.5) Re12(0.5) Re9(0.5) Re10(0.5) Se10(0.5) Se12(0.5) Se9(0.5) C11(0.5)
 Re8(0.5) Se14(0.5) Se15(0.5) C12(0.5) Se13(0.5) C7(0.5) Se16(0.5) C9(0.5)
 C10(0.5) N11(0.5) C8(0.5) N12(0.5) N7(0.5) N9(0.5) N10(0.5) N8(0.5)
5.a Free rotating group:
 C16(N16,Re16,Se31,Re21,Se19,Re17,Se26,Se27,Se29,Re19,C21,Se17,C19,Se23,C17,
 Se21,N21,N19,N17), C27E(C28E,C26E,O22E,C29E,O24E,C25E,O23E,C30E,O21E),
 C21E(C22E,C20E,O17E,C23E,O19E,C19E,O18E,O16E), C3E(C4E,C2E,O2E,C5E,O4E,C1E,O3E,
 C6E,O1E), C45F(C46F,C44F,O37F,C47F,O39F,C43F,O38F,C48F,O36F), C9F(C10F,C8F,O7F,
 C11F,O9F,C7F,O8F,C12F,O6F), C21F(C22F,C20F,O17F,C23F,O19F,C19F,O18F,C24F,O16F),
  Se11(Re12,Re9,Re10,Se10,Se12,Se9,C11,Re8,Se14,Se15,C12,Se13,C7,Se16,C9,C10,
 N11,C8,N12,N7,N9,N10,N8)
5.b Ternary CH refined with riding coordinates:
 C16E(H16E), C15E(H15E), C9E(H9E), C8E(H8E), C12E(H12E), C10E(H10E),
 C11E(H11E), C45E(H45E), C48E(H48E), C47E(H47E), C46E(H46E), C44E(H44E),
 C17E(H17E), C18E(H18E), C14E(H14E), C39E(H39E), C36E(H36E), C40E(H40E),
 C42E(H42E), C41E(H41E), C38E(H38E), C32E(H32E), C34E(H34E), C33E(H33E),
 C35E(H35E), C16F(H16F), C3F(H3F), C15F(H15F), C6F(H6F), C4F(H4F), C5F(H5F),
 C39F(H39F), C42F(H42F), C18F(H18F), C40F(H40F), C17F(H17F), C41F(H41F),
 C2F(H2F), C33F(H33F), C36F(H36F), C28F(H28F), C34F(H34F), C35F(H35F),
 C32F(H32F), C26F(H26F), C38F(H38F), C27F(H27F), C29F(H29F), C30F(H30F),
 C27E(H27E), C28E(H28E), C26E(H26E), C29E(H29E), C30E(H30E), C21E(H21E),
 C22E(H22E), C20E(H20E), C23E(H23E), C3E(H3E), C4E(H4E), C2E(H2E), C5E(H5E),
 C6E(H6E), C45F(H45F), C46F(H46F), C44F(H44F), C47F(H47F), C48F(H48F), C9F(H9F),
  C10F(H10F), C8F(H8F), C11F(H11F), C12F(H12F), C21F(H21F), C22F(H22F),
 C20F(H20F), C23F(H23F)
5.c Secondary CH2 refined with riding coordinates:
 C7E(H7EA,H7EB), C13E(H13C,H13D), C31E(H31C,H31D), C37E(H37C,H37D), C37F(H37A,
 H37B), C25F(H25A,H25B), C31F(H31A,H31B), C1F(H1FA,H1FB), C43E(H43C,H43D),
 C25E(H25C,H25D), C19E(H19C,H19D), C1E(H1EA,H1EB), C43F(H43A,H43B), C7F(H7FA,
 H7FB), C13F(H13A,H13B), C19F(H19A,H19B)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Re4 Re 0.82870(3) 0.87283(3) 1.00075(9) 0.0304(3) Uani 1 1 d . . . . .
Re1 Re 0.84677(4) 0.92187(4) 0.89631(7) 0.0291(3) Uani 1 1 d . . . . .
Re3 Re 0.84990(4) 0.92008(4) 1.10665(8) 0.0308(3) Uani 1 1 d . . . . .
Re13 Re 1.06848(3) 0.75896(3) 0.49943(8) 0.0298(3) Uani 1 1 d . . . . .
Re2 Re 0.89694(3) 0.90138(4) 0.99721(9) 0.0315(3) Uani 1 1 d . . . . .
Re6 Re 1.29984(3) 0.55974(4) 0.99479(9) 0.0339(3) Uani 1 1 d . . . . .
Re5 Re 0.63176(4) 0.46895(3) -0.00174(9) 0.0330(3) Uani 1 1 d . . . . .
Re14 Re 1.16580(3) 0.79971(4) 0.50021(9) 0.0320(3) Uani 1 1 d . . . . .
Re18 Re 1.09906(5) 0.82121(5) 0.55097(9) 0.0289(4) Uani 0.825 1 d . . . . .
Re15 Re 1.10726(5) 0.80271(5) 0.40920(8) 0.0297(4) Uani 0.825 1 d . . . B .
Re20 Re 1.12683(5) 0.75624(5) 0.59151(8) 0.0289(4) Uani 0.825 1 d . . . B .
Re22 Re 1.13508(5) 0.73775(5) 0.44959(9) 0.0307(4) Uani 0.825 1 d . . . B .
Se3 Se 0.78111(11) 0.89393(12) 0.9031(2) 0.0386(9) Uani 1 1 d . . . . .
Se5 Se 0.82213(13) 0.98473(11) 1.1063(2) 0.0424(10) Uani 1 1 d . . . . .
Se4 Se 0.78441(12) 0.89224(12) 1.1056(2) 0.0424(10) Uani 1 1 d . . . . .
Se8 Se 0.68104(11) 0.48702(11) 0.0944(2) 0.0373(9) Uani 1 1 d . . . . .
Se2 Se 0.87414(11) 0.85691(11) 0.8958(2) 0.0358(8) Uani 1 1 d . . . . .
Se1 Se 0.91253(11) 0.94959(12) 0.8972(2) 0.0413(9) Uani 1 1 d . . . . .
Se6 Se 0.87786(11) 0.85484(10) 1.0977(2) 0.0338(8) Uani 1 1 d . . . . .
Se7 Se 0.91585(11) 0.94741(11) 1.0994(2) 0.0407(9) Uani 1 1 d . . . . .
Se28 Se 1.04341(12) 0.82258(12) 0.4611(2) 0.0312(9) Uani 0.825 1 d . . . B .
Se18 Se 1.19074(12) 0.73623(13) 0.5398(2) 0.0361(10) Uani 0.825 1 d . . . B .
Se22 Se 1.13688(14) 0.86180(12) 0.4624(2) 0.0360(10) Uani 0.825 1 d . . . B .
Se32 Se 1.09685(13) 0.69699(12) 0.5388(2) 0.0329(9) Uani 0.825 1 d . . . B .
Se24 Se 1.15570(14) 0.81696(13) 0.6377(2) 0.0366(10) Uani 0.825 1 d . . . B .
Se25 Se 1.06228(14) 0.77770(13) 0.6364(2) 0.0377(11) Uani 0.825 1 d . . . B .
Se30 Se 1.07828(13) 0.74172(14) 0.3626(2) 0.0369(10) Uani 0.825 1 d . . . B .
Se20 Se 1.17137(14) 0.78117(15) 0.3639(2) 0.0423(11) Uani 0.825 1 d . . . B .
O12E O 0.5761(8) 0.5229(8) 0.4912(18) 0.0631(9) Uani 1 1 d . . . . .
O8E O 0.5810(9) 0.5217(9) 0.6500(17) 0.0631(9) Uani 1 1 d . . . . .
C16E C 0.6081(12) 0.5328(13) 0.449(2) 0.0527(11) Uani 1 1 d . . . . .
H16E H 0.608213 0.560556 0.442308 0.063 Uiso 1 1 calc R . . . .
O10E O 0.6457(9) 0.5386(9) 0.5624(17) 0.0631(9) Uani 1 1 d . . . . .
C15E C 0.6440(11) 0.5214(11) 0.494(3) 0.0527(11) Uani 1 1 d . . . . .
H15E H 0.642573 0.493843 0.502942 0.063 Uiso 1 1 calc R . . . .
O7E O 0.5955(9) 0.5714(9) 0.7741(17) 0.0631(9) Uani 1 1 d . . . . .
C9E C 0.6620(12) 0.5675(12) 0.755(2) 0.0527(11) Uani 1 1 d . . . . .
H9E H 0.664670 0.549128 0.796678 0.063 Uiso 1 1 calc R . . . .
O5E O 0.6670(9) 0.6028(9) 0.7801(17) 0.0631(9) Uani 1 1 d . . . . .
O9E O 0.6841(9) 0.5209(9) 0.6602(17) 0.0631(9) Uani 1 1 d . . . . .
C8E C 0.6904(12) 0.5577(13) 0.688(2) 0.0527(11) Uani 1 1 d . . . . .
H8E H 0.686095 0.575886 0.646369 0.063 Uiso 1 1 calc R . . . .
C12E C 0.6480(12) 0.5170(13) 0.630(2) 0.0527(11) Uani 1 1 d . . . . .
H12E H 0.644870 0.490176 0.615987 0.063 Uiso 1 1 calc R . . . .
C10E C 0.6234(12) 0.5651(12) 0.721(2) 0.0527(11) Uani 1 1 d . . . . .
H10E H 0.621128 0.584176 0.679621 0.063 Uiso 1 1 calc R . . . .
C11E C 0.6185(12) 0.5258(12) 0.687(2) 0.0527(11) Uani 1 1 d . . . . .
H11E H 0.620219 0.507016 0.728391 0.063 Uiso 1 1 calc R . . . .
O38E O 0.6811(9) 0.7795(9) 0.9050(17) 0.0631(9) Uani 1 1 d . . . . .
O35E O 0.7564(9) 0.8119(9) 0.6868(17) 0.0631(9) Uani 1 1 d . . . . .
C45E C 0.7589(13) 0.7956(13) 0.761(2) 0.0527(11) Uani 1 1 d . . . . .
H45E H 0.775880 0.811850 0.792067 0.063 Uiso 1 1 calc R . . . .
O37E O 0.7044(9) 0.8351(9) 0.7948(17) 0.0631(9) Uani 1 1 d . . . . .
O15E O 0.6485(9) 0.5605(9) 0.3139(17) 0.0631(9) Uani 1 1 d . . . . .
O13E O 0.5783(9) 0.5270(9) 0.3269(17) 0.0631(9) Uani 1 1 d . . . . .
O14E O 0.6779(9) 0.5100(9) 0.3750(17) 0.0631(9) Uani 1 1 d . . . . .
O40E O 0.7129(9) 0.7171(9) 0.8387(17) 0.0631(9) Uani 1 1 d . . . . .
O36E O 0.8372(19) 0.7772(19) 0.770(3) 0.0631(9) Uani 0.5 1 d . . . . .
C48E C 0.7382(12) 0.7432(12) 0.877(2) 0.0527(11) Uani 1 1 d . . . . .
H48E H 0.741189 0.735735 0.930663 0.063 Uiso 1 1 calc R . . . .
O39E O 0.7750(9) 0.7437(9) 0.8404(17) 0.0631(9) Uani 1 1 d . . . . .
C47E C 0.7185(12) 0.7801(12) 0.872(2) 0.0527(11) Uani 1 1 d . . . . .
H47E H 0.733703 0.797392 0.904968 0.063 Uiso 1 1 calc R . . . .
C46E C 0.7195(12) 0.7969(13) 0.796(2) 0.0527(11) Uani 1 1 d . . . . .
H46E H 0.702518 0.781451 0.763026 0.063 Uiso 1 1 calc R . . . .
O6E O 0.7398(9) 0.5368(9) 0.7738(17) 0.0631(9) Uani 1 1 d . . . . .
C44E C 0.7747(12) 0.7583(13) 0.760(2) 0.0527(11) Uani 1 1 d . . . . .
H44E H 0.757641 0.741935 0.729762 0.063 Uiso 1 1 calc R . . . .
C17E C 0.6092(12) 0.5152(13) 0.372(2) 0.0527(11) Uani 1 1 d . . . . .
H17E H 0.606648 0.487592 0.379115 0.063 Uiso 1 1 calc R . . . .
C7E C 0.7336(12) 0.5611(13) 0.714(2) 0.0527(11) Uani 1 1 d . . . . .
H7EA H 0.750626 0.554696 0.671794 0.063 Uiso 1 1 calc R . . . .
H7EB H 0.739175 0.587056 0.730262 0.063 Uiso 1 1 calc R . . . .
C18E C 0.6460(12) 0.5220(12) 0.332(2) 0.0527(11) Uani 1 1 d . . . . .
H18E H 0.645711 0.507454 0.283758 0.063 Uiso 1 1 calc R . . . .
C14E C 0.6802(12) 0.5290(13) 0.450(2) 0.0527(11) Uani 1 1 d . . . . .
H14E H 0.681928 0.556584 0.440640 0.063 Uiso 1 1 calc R . . . .
O33E O 0.7402(9) 0.8863(9) 0.6733(17) 0.0631(9) Uani 1 1 d . . . . .
O32E O 0.7366(8) 0.8921(8) 0.5098(18) 0.0631(9) Uani 1 1 d . . . . .
O34E O 0.8104(9) 0.8185(9) 0.6122(17) 0.0631(9) Uani 1 1 d . . . . .
O30E O 0.7651(9) 0.8307(9) 0.4312(17) 0.0631(9) Uani 1 1 d . . . . .
C39E C 0.7800(11) 0.8396(11) 0.499(3) 0.0527(11) Uani 1 1 d . . . . .
H39E H 0.801395 0.857601 0.492018 0.063 Uiso 1 1 calc R . . . .
C36E C 0.7817(13) 0.8448(13) 0.367(2) 0.0527(11) Uani 1 1 d . . . . .
H36E H 0.798229 0.866105 0.382572 0.063 Uiso 1 1 calc R . . . .
O29E O 0.8065(9) 0.8155(9) 0.3382(17) 0.0631(9) Uani 1 1 d . . . . .
C40E C 0.7486(12) 0.8586(12) 0.550(2) 0.0527(11) Uani 1 1 d . . . . .
H40E H 0.726669 0.841225 0.557169 0.063 Uiso 1 1 calc R . . . .
C42E C 0.7859(13) 0.8346(12) 0.661(2) 0.0527(11) Uani 1 1 d . . . . .
H42E H 0.800757 0.843014 0.705708 0.063 Uiso 1 1 calc R . . . .
C41E C 0.7673(13) 0.8687(13) 0.627(2) 0.0527(11) Uani 1 1 d . . . . .
H41E H 0.787774 0.887320 0.616376 0.063 Uiso 1 1 calc R . . . .
C38E C 0.7939(13) 0.8063(12) 0.546(2) 0.0527(11) Uani 1 1 d . . . . .
H38E H 0.771200 0.791044 0.560104 0.063 Uiso 1 1 calc R . . . .
C32E C 0.7863(12) 0.7855(12) 0.305(2) 0.0527(11) Uani 1 1 d . . . . .
H32E H 0.771258 0.772744 0.345533 0.063 Uiso 1 1 calc R . . . .
K2 K 0.5606(2) 0.6338(3) -0.0007(5) 0.052(2) Uani 1 1 d . . . . .
K1 K 1.1330(3) 0.6787(3) 0.9991(6) 0.060(2) Uani 1 1 d . . . . .
O20E O 0.6873(9) 0.6562(9) 0.1618(17) 0.0631(9) Uani 1 1 d . . . . .
O25E O 0.7365(9) 0.7696(9) 0.2116(17) 0.0631(9) Uani 1 1 d . . . . .
C34E C 0.7345(12) 0.8284(12) 0.274(2) 0.0527(11) Uani 1 1 d . . . . .
H34E H 0.719200 0.816187 0.314655 0.063 Uiso 1 1 calc R . . . .
O27E O 0.7085(9) 0.8422(9) 0.2202(17) 0.0631(9) Uani 1 1 d . . . . .
O11E O 0.7197(8) 0.4787(8) 0.4865(17) 0.0631(9) Uani 1 1 d . . . . .
O28E O 0.7329(9) 0.8870(9) 0.3479(17) 0.0631(9) Uani 1 1 d . . . . .
O26E O 0.8401(10) 0.7732(9) 0.2288(17) 0.0631(9) Uani 1 1 d . . . . .
C24E C 0.6854(12) 0.6206(12) 0.126(2) 0.0527(11) Uani 1 1 d . . . . .
C33E C 0.7576(13) 0.7997(13) 0.241(2) 0.0527(11) Uani 1 1 d . . . . .
H33E H 0.772718 0.811082 0.199097 0.063 Uiso 1 1 calc R . . . .
C13E C 0.7156(11) 0.5169(11) 0.483(2) 0.0527(11) Uani 1 1 d . . . . .
H13C H 0.736970 0.527511 0.454216 0.063 Uiso 1 1 calc R . . . .
H13D H 0.717202 0.527044 0.535335 0.063 Uiso 1 1 calc R . . . .
C35E C 0.7543(12) 0.8596(12) 0.309(2) 0.0527(11) Uani 1 1 d . . . . .
H35E H 0.769332 0.872527 0.269128 0.063 Uiso 1 1 calc R . . . .
C31E C 0.8146(13) 0.7590(13) 0.276(2) 0.0527(11) Uani 1 1 d . . . . .
H31C H 0.828183 0.747822 0.319337 0.063 Uiso 1 1 calc R . . . .
H31D H 0.801016 0.738512 0.249833 0.063 Uiso 1 1 calc R . . . .
K3 K 1.000000 1.000000 0.6906(9) 0.070(4) Uani 1 2 d S T P . .
O35F O 1.0055(9) 0.8103(9) 0.2034(17) 0.0631(9) Uani 1 1 d . . . . .
O5F O 1.0929(9) 0.6020(9) 0.3641(17) 0.0631(9) Uani 1 1 d . . . . .
O10F O 1.0934(9) 0.5964(9) 0.6123(17) 0.0631(9) Uani 1 1 d . . . . .
O40F O 1.0532(9) 0.6904(9) 0.1991(17) 0.0631(9) Uani 1 1 d . . . . .
O2F O 1.1257(9) 0.6643(9) 0.1663(17) 0.0631(9) Uani 1 1 d . . . . .
O12F O 1.1483(10) 0.6089(9) 0.7238(17) 0.0631(9) Uani 1 1 d . . . . .
O1W O 0.945(2) 0.550(2) 0.580(4) 0.076(19) Uiso 0.5 1 d . . . . .
O3F O 1.1474(9) 0.6007(9) 0.2575(17) 0.0631(9) Uani 1 1 d . . . . .
C16F C 1.1112(12) 0.6246(13) 0.730(2) 0.0527(11) Uani 1 1 d . . . . .
H16F H 1.111342 0.650153 0.707378 0.063 Uiso 1 1 calc R . . . .
C3F C 1.0592(12) 0.6543(13) 0.204(2) 0.0527(11) Uani 1 1 d . . . . .
H3F H 1.053337 0.642638 0.153905 0.063 Uiso 1 1 calc R . . . .
C15F C 1.0827(12) 0.6011(13) 0.690(2) 0.0527(11) Uani 1 1 d . . . . .
H15F H 1.083562 0.575718 0.713977 0.063 Uiso 1 1 calc R . . . .
C15 C 1.0970(16) 0.8257(17) 0.310(3) 0.060(3) Uani 0.825 1 d . . . . .
N22 N 1.1659(15) 0.6642(15) 0.363(3) 0.070(3) Uani 0.825 1 d . . . B .
C20 C 1.1371(16) 0.7324(16) 0.693(3) 0.060(3) Uani 0.825 1 d . . . . .
N20 N 1.1414(15) 0.7137(15) 0.750(3) 0.070(3) Uani 0.825 1 d . . . B .
C14 C 1.2204(12) 0.8243(12) 0.499(3) 0.060(3) Uani 1 1 d . . . . .
N15 N 1.0887(15) 0.8434(15) 0.250(3) 0.070(3) Uani 0.825 1 d . . . B .
C6F C 1.0840(12) 0.5866(13) 0.287(2) 0.0527(11) Uani 1 1 d . . . . .
H6F H 1.088060 0.558905 0.285806 0.063 Uiso 1 1 calc R . . . .
O31E O 0.8541(9) 0.7995(9) 0.4748(16) 0.0631(9) Uani 1 1 d . . . . .
C4F C 1.1025(12) 0.6461(12) 0.224(2) 0.0527(11) Uani 1 1 d . . . . .
H4F H 1.107728 0.659559 0.272205 0.063 Uiso 1 1 calc R . . . .
C37E C 0.8226(10) 0.7795(11) 0.502(3) 0.0527(11) Uani 1 1 d . . . . .
H37C H 0.831318 0.759348 0.536139 0.063 Uiso 1 1 calc R . . . .
H37D H 0.809148 0.767615 0.459067 0.063 Uiso 1 1 calc R . . . .
C22 C 1.1552(17) 0.6892(17) 0.395(3) 0.060(3) Uani 0.825 1 d . . . . .
C5F C 1.1118(12) 0.6056(12) 0.238(2) 0.0527(11) Uani 1 1 d . . . . .
H5F H 1.109253 0.593191 0.187692 0.063 Uiso 1 1 calc R . . . .
O30F O 0.9649(10) 0.8926(9) 0.3846(17) 0.0631(9) Uani 1 1 d . . . . .
O13F O 1.1234(9) 0.6533(9) 0.8484(17) 0.0631(9) Uani 1 1 d . . . . .
O15F O 1.0580(9) 0.6803(9) 0.7923(17) 0.0631(9) Uani 1 1 d . . . . .
O33F O 1.0327(9) 0.8788(9) 0.1508(17) 0.0631(9) Uani 1 1 d . . . . .
O32F O 1.0167(9) 0.9243(9) 0.2761(17) 0.0631(9) Uani 1 1 d . . . . .
O34F O 0.9448(9) 0.8359(9) 0.2184(17) 0.0631(9) Uani 1 1 d . . . . .
O14F O 1.0352(9) 0.6192(9) 0.7740(17) 0.0631(9) Uani 1 1 d . . . . .
C39F C 0.9607(13) 0.8847(13) 0.306(2) 0.0527(11) Uani 1 1 d . . . . .
H39F H 0.942382 0.902432 0.282503 0.063 Uiso 1 1 calc R . . . .
C42F C 0.9794(12) 0.8383(12) 0.176(2) 0.0527(11) Uani 1 1 d . . . . .
H42F H 0.974159 0.834276 0.121093 0.063 Uiso 1 1 calc R . . . .
O4F O 1.0443(9) 0.5957(9) 0.2698(17) 0.0631(9) Uani 1 1 d . . . . .
C14F C 1.0427(13) 0.6157(13) 0.701(2) 0.0527(11) Uani 1 1 d . . . . .
C18F C 1.0599(12) 0.6418(12) 0.817(2) 0.0527(11) Uani 1 1 d . . . . .
H18F H 1.052063 0.640506 0.871588 0.063 Uiso 1 1 calc R . . . .
C40F C 1.0009(13) 0.8880(13) 0.268(2) 0.0527(11) Uani 1 1 d . . . . .
H40F H 1.018224 0.870045 0.294436 0.063 Uiso 1 1 calc R . . . .
C17F C 1.0979(12) 0.6273(13) 0.810(2) 0.0527(11) Uani 1 1 d . . . . .
H17F H 1.099474 0.602154 0.834282 0.063 Uiso 1 1 calc R . . . .
N14 N 1.2523(11) 0.8321(11) 0.488(2) 0.070(3) Uani 1 1 d . . . . .
N18 N 1.0678(15) 0.8947(15) 0.640(3) 0.070(3) Uani 0.825 1 d . . . . .
C41F C 0.9971(13) 0.8750(13) 0.187(2) 0.0527(11) Uani 1 1 d . . . . .
H41F H 0.979865 0.893455 0.162561 0.063 Uiso 1 1 calc R . . . .
N13 N 0.9861(11) 0.7231(11) 0.498(2) 0.070(3) Uani 1 1 d . . . . .
C13 C 1.0137(12) 0.7356(12) 0.494(3) 0.060(3) Uani 1 1 d . . . . .
O11F O 0.9774(9) 0.6068(9) 0.6593(17) 0.0631(9) Uani 1 1 d . . . . .
C2F C 1.0356(12) 0.6361(12) 0.262(2) 0.0527(11) Uani 1 1 d . . . . .
H2F H 1.038941 0.649051 0.311910 0.063 Uiso 1 1 calc R . . . .
O27F O 1.0082(9) 0.9501(9) 0.5750(17) 0.0631(9) Uani 1 1 d . . . . .
O29F O 0.9139(9) 0.9101(9) 0.4574(17) 0.0631(9) Uani 1 1 d . . . . .
O28F O 1.0007(9) 0.9614(9) 0.4146(17) 0.0631(9) Uani 1 1 d . . . . .
O25F O 0.9672(10) 0.8891(9) 0.6296(17) 0.0631(9) Uani 1 1 d . . . . .
O20F O 1.0041(9) 0.7973(9) 0.7973(17) 0.0631(9) Uani 1 1 d . . . . .
C33F C 0.9507(13) 0.9117(13) 0.576(2) 0.0527(11) Uani 1 1 d . . . . .
H33F H 0.936853 0.932794 0.600292 0.063 Uiso 1 1 calc R . . . .
O22F O 1.0369(9) 0.8665(9) 0.8259(17) 0.0631(9) Uani 1 1 d . . . . .
C36F C 0.9445(12) 0.9231(12) 0.416(2) 0.0527(11) Uani 1 1 d . . . . .
H36F H 0.934458 0.938654 0.373121 0.063 Uiso 1 1 calc R . . . .
C28F C 1.0093(12) 0.8639(12) 0.769(2) 0.0527(11) Uani 1 1 d . . . . .
H28F H 1.021458 0.858338 0.719268 0.063 Uiso 1 1 calc R . . . .
C34F C 0.9851(12) 0.9273(13) 0.528(2) 0.0527(11) Uani 1 1 d . . . . .
H34F H 1.000621 0.905715 0.509807 0.063 Uiso 1 1 calc R . . . .
C35F C 0.9712(12) 0.9478(13) 0.464(2) 0.0527(11) Uani 1 1 d . . . . .
H35F H 0.956350 0.969755 0.482989 0.063 Uiso 1 1 calc R . . . .
O23F O 1.0064(9) 0.9290(9) 0.7411(17) 0.0631(9) Uani 1 1 d . . . . .
O31F O 0.8933(9) 0.8016(9) 0.3291(17) 0.0631(9) Uani 1 1 d . . . . .
C32F C 0.9238(12) 0.8902(13) 0.525(2) 0.0527(11) Uani 1 1 d . . . . .
H32F H 0.936654 0.866371 0.509609 0.063 Uiso 1 1 calc R . . . .
C37F C 0.9055(12) 0.8388(12) 0.326(2) 0.0527(11) Uani 1 1 d . . . . .
H37A H 0.903233 0.849970 0.377047 0.063 Uiso 1 1 calc R . . . .
H37B H 0.888613 0.852987 0.291920 0.063 Uiso 1 1 calc R . . . .
C26F C 0.9498(12) 0.8264(12) 0.726(2) 0.0527(11) Uani 1 1 d . . . . .
H26F H 0.962559 0.821910 0.676448 0.063 Uiso 1 1 calc R . . . .
C38F C 0.9460(13) 0.8432(13) 0.299(2) 0.0527(11) Uani 1 1 d . . . . .
H38F H 0.963347 0.825303 0.325670 0.063 Uiso 1 1 calc R . . . .
C27F C 0.9807(12) 0.8322(12) 0.791(2) 0.0527(11) Uani 1 1 d . . . . .
H27F H 0.968072 0.838004 0.839710 0.063 Uiso 1 1 calc R . . . .
C25F C 0.9268(12) 0.7963(12) 0.745(2) 0.0527(11) Uani 1 1 d . . . . .
H25A H 0.912810 0.801448 0.791806 0.063 Uiso 1 1 calc R . . . .
H25B H 0.942340 0.773492 0.751867 0.063 Uiso 1 1 calc R . . . .
C29F C 0.9826(12) 0.8981(12) 0.762(2) 0.0527(11) Uani 1 1 d . . . . .
H29F H 0.971171 0.903339 0.812240 0.063 Uiso 1 1 calc R . . . .
O24F O 0.9308(9) 0.8590(9) 0.7244(17) 0.0631(9) Uani 1 1 d . . . . .
O26F O 0.8652(9) 0.9136(9) 0.5712(17) 0.0631(9) Uani 1 1 d . . . . .
C31F C 0.8868(12) 0.8804(12) 0.560(2) 0.0527(11) Uani 1 1 d . . . . .
H31A H 0.872660 0.863094 0.526430 0.063 Uiso 1 1 calc R . . . .
H31B H 0.891065 0.867737 0.608632 0.063 Uiso 1 1 calc R . . . .
C30F C 0.9508(13) 0.8914(13) 0.705(2) 0.0527(11) Uani 1 1 d . . . . .
H30F H 0.932948 0.913153 0.707002 0.063 Uiso 1 1 calc R . . . .
O1F O 0.9735(9) 0.6252(9) 0.3080(17) 0.0631(9) Uani 1 1 d . . . . .
C18 C 1.0753(16) 0.8686(17) 0.605(3) 0.060(3) Uani 0.825 1 d . . . B .
C1F C 0.9925(12) 0.6340(13) 0.241(2) 0.0527(11) Uani 1 1 d . . . . .
H1FA H 0.983586 0.658341 0.221227 0.063 Uiso 1 1 calc R . . . .
H1FB H 0.988063 0.614497 0.202731 0.063 Uiso 1 1 calc R . . . .
O21F O 0.8992(9) 0.7908(9) 0.6796(17) 0.0631(9) Uani 1 1 d . . . . .
C1 C 0.8457(14) 0.9208(14) 0.778(3) 0.060(3) Uani 1 1 d . . . . .
C3 C 0.8504(14) 0.9233(14) 0.226(3) 0.060(3) Uani 1 1 d . . . . .
C4 C 0.8101(12) 0.8188(12) -0.001(3) 0.060(3) Uani 1 1 d . . . . .
N3 N 0.8502(13) 0.9222(13) 0.289(2) 0.070(3) Uani 1 1 d . . . . .
C5 C 0.6085(12) 0.5214(12) 0.000(3) 0.060(3) Uani 1 1 d . . . . .
N4 N 0.7970(11) 0.7903(11) 0.003(2) 0.070(3) Uani 1 1 d . . . . .
C2 C 0.9523(13) 0.8786(12) 0.989(3) 0.060(3) Uani 1 1 d . . . . .
C6 C 1.2449(12) 0.5364(12) 0.995(3) 0.060(3) Uani 1 1 d . . . . .
N5 N 0.6005(11) 0.5532(12) -0.009(2) 0.070(3) Uani 1 1 d . . . . .
N2 N 0.9829(12) 0.8659(12) 0.985(2) 0.070(3) Uani 1 1 d . . . . .
N1 N 0.8438(13) 0.9226(13) 0.715(2) 0.070(3) Uani 1 1 d . . . . .
N6 N 1.2158(12) 0.5271(12) 0.980(2) 0.070(3) Uani 1 1 d . . . . .
C43E C 0.8162(12) 0.7504(12) 0.736(2) 0.0527(11) Uani 1 1 d . . . . .
H43C H 0.824331 0.725263 0.752763 0.063 Uiso 1 1 calc R . . . .
H43D H 0.818804 0.751960 0.680491 0.063 Uiso 1 1 calc R . . . .
Re11 Re 1.0425(3) 0.54287(15) 1.0014(3) 0.141(3) Uani 0.5 1 d . . . A -1
Re7 Re 1.0216(2) 0.49361(19) 1.1033(2) 0.141(3) Uani 0.5 1 d . . . A -1
C16 C 1.1285(2) 0.7496(2) 0.2823(2) 0.060(3) Uani 0.175 1 d . . . B -1
N16 N 1.1306(3) 0.7416(3) 0.2194(2) 0.070(3) Uani 0.175 1 d G . . B -1
Re16 Re 1.12296(14) 0.76530(15) 0.3963(2) 0.036(2) Uani 0.175 1 d G . . B -1
Se31 Se 1.0953(2) 0.70197(13) 0.4293(4) 0.037(5) Uani 0.175 1 d G . . B -1
Re21 Re 1.13766(14) 0.73283(12) 0.5264(3) 0.0265(18) Uani 0.175 1 d G . . B -1
Se19 Se 1.18867(14) 0.7414(2) 0.4276(3) 0.047(6) Uani 0.175 1 d G . . B -1
Re17 Re 1.09751(14) 0.82480(12) 0.4680(3) 0.0267(17) Uani 0.175 1 d G . . B -1
Se26 Se 1.08493(18) 0.72793(17) 0.6230(3) 0.051(7) Uani 0.175 1 d G . . B -1
Se27 Se 1.04638(14) 0.81619(19) 0.5668(3) 0.048(6) Uani 0.175 1 d G . . B -1
Se29 Se 1.05670(16) 0.7902(2) 0.3731(3) 0.045(6) Uani 0.175 1 d G . . B -1
Re19 Re 1.11222(14) 0.79231(14) 0.5981(2) 0.0313(19) Uani 0.175 1 d G . . B -1
C21 C 1.1598(2) 0.68062(15) 0.5598(4) 0.060(3) Uani 0.175 1 d G . . B -1
Se17 Se 1.17839(15) 0.7673(2) 0.6211(3) 0.045(7) Uani 0.175 1 d G . . B -1
C19 C 1.1055(2) 0.8075(2) 0.7121(2) 0.060(3) Uani 0.175 1 d G . . B -1
Se23 Se 1.1398(2) 0.85553(13) 0.5650(4) 0.033(5) Uani 0.175 1 d G . . B -1
C17 C 1.0742(2) 0.87647(15) 0.4346(4) 0.060(3) Uani 0.175 1 d G . . B -1
Se21 Se 1.15015(19) 0.82960(18) 0.3714(3) 0.058(8) Uani 0.175 1 d G . . B -1
N21 N 1.1714(3) 0.65157(17) 0.5764(5) 0.070(3) Uani 0.175 1 d G . . B -1
N19 N 1.1016(3) 0.8147(3) 0.7750(2) 0.070(3) Uani 0.175 1 d G . . B -1
N17 N 1.0608(3) 0.90476(18) 0.4181(5) 0.070(3) Uani 0.175 1 d G . . B -1
C27E C 0.7079(4) 0.6858(4) 0.1222(9) 0.0527(11) Uani 1 1 d . . . C -1
H27E H 0.711934 0.678890 0.068135 0.063 Uiso 1 1 calc R . . C -1
C28E C 0.6837(4) 0.7205(4) 0.1282(9) 0.0527(11) Uani 1 1 d G . . C -1
H28E H 0.677049 0.724453 0.182421 0.063 Uiso 1 1 calc R . . C -1
C26E C 0.7466(4) 0.6921(4) 0.1627(7) 0.0527(11) Uani 1 1 d G . . C -1
H26E H 0.742333 0.694943 0.218208 0.063 Uiso 1 1 calc R . . C -1
O22E O 0.6489(4) 0.7155(5) 0.0862(13) 0.0631(9) Uani 1 1 d G . . C -1
C29E C 0.7016(4) 0.7559(4) 0.0985(8) 0.0527(11) Uani 1 1 d G . . C -1
H29E H 0.707560 0.751564 0.044006 0.063 Uiso 1 1 calc R . . C -1
O24E O 0.7635(4) 0.7264(4) 0.1323(10) 0.0631(9) Uani 1 1 d G . . C -1
C25E C 0.7735(5) 0.6610(5) 0.1486(11) 0.0527(11) Uani 1 1 d G . . C -1
H25C H 0.797391 0.666627 0.175551 0.063 Uiso 1 1 calc R . . C -1
H25D H 0.762762 0.637995 0.171281 0.063 Uiso 1 1 calc R . . C -1
O23E O 0.6817(5) 0.7869(4) 0.1025(12) 0.0631(9) Uani 1 1 d G . . C -1
C30E C 0.7402(4) 0.7585(4) 0.1411(11) 0.0527(11) Uani 1 1 d G . . C -1
H30E H 0.754353 0.779178 0.115446 0.063 Uiso 1 1 calc R . . C -1
O21E O 0.7826(5) 0.6531(5) 0.0710(12) 0.0631(9) Uani 1 1 d G . . C -1
C21E C 0.6604(4) 0.5699(5) 0.2423(7) 0.0527(11) Uani 1 1 d . . . D -1
H21E H 0.660280 0.546652 0.210950 0.063 Uiso 1 1 calc R . . D -1
C22E C 0.6333(4) 0.5975(4) 0.2070(8) 0.0527(11) Uani 1 1 d G . . D -1
H22E H 0.632184 0.620213 0.239737 0.063 Uiso 1 1 calc R . . D -1
C20E C 0.7015(4) 0.5860(5) 0.2416(8) 0.0527(11) Uani 1 1 d G . . D -1
H20E H 0.703006 0.608305 0.275593 0.063 Uiso 1 1 calc R . . D -1
O17E O 0.5957(4) 0.5814(6) 0.2032(12) 0.0631(9) Uani 1 1 d G . . D -1
C23E C 0.6431(4) 0.6095(5) 0.1279(8) 0.0527(11) Uani 1 1 d G . . D -1
H23E H 0.641324 0.586255 0.096897 0.063 Uiso 1 1 calc R . . D -1
O19E O 0.7104(4) 0.5972(5) 0.1640(10) 0.0631(9) Uani 1 1 d G . . D -1
C19E C 0.7299(4) 0.5578(6) 0.2651(10) 0.0527(11) Uani 1 1 d G . . D -1
H19C H 0.755311 0.569620 0.263428 0.063 Uiso 1 1 calc R . . D -1
H19D H 0.724811 0.551042 0.318284 0.063 Uiso 1 1 calc R . . D -1
O18E O 0.6204(5) 0.6336(6) 0.0948(11) 0.0631(9) Uani 1 1 d G . . D -1
O16E O 0.7315(5) 0.5238(5) 0.2217(13) 0.0631(9) Uani 1 1 d G . . D -1
C3E C 0.7089(4) 0.6828(3) 0.8679(9) 0.0527(11) Uani 1 1 d . . . E -1
H3E H 0.719516 0.682704 0.920150 0.063 Uiso 1 1 calc R . . E -1
C4E C 0.6671(4) 0.6739(4) 0.8717(9) 0.0527(11) Uani 1 1 d G . . E -1
H4E H 0.656207 0.676314 0.819828 0.063 Uiso 1 1 calc R . . E -1
C2E C 0.7300(4) 0.6528(5) 0.8199(7) 0.0527(11) Uani 1 1 d G . . E -1
H2E H 0.721512 0.654387 0.766186 0.063 Uiso 1 1 calc R . . E -1
O2E O 0.6481(5) 0.7004(5) 0.9204(13) 0.0631(9) Uani 1 1 d G . . E -1
C5E C 0.6575(4) 0.6356(4) 0.9017(8) 0.0527(11) Uani 1 1 d G . . E -1
H5E H 0.668127 0.633974 0.953862 0.063 Uiso 1 1 calc R . . E -1
O4E O 0.7204(4) 0.6159(4) 0.8508(10) 0.0631(9) Uani 1 1 d G . . E -1
C1E C 0.7717(4) 0.6572(6) 0.8241(11) 0.0527(11) Uani 1 1 d G . . E -1
H1EA H 0.783466 0.637438 0.792741 0.063 Uiso 1 1 calc R . . E -1
H1EB H 0.778438 0.681579 0.801072 0.063 Uiso 1 1 calc R . . E -1
O3E O 0.6214(4) 0.6264(5) 0.9060(12) 0.0631(9) Uani 1 1 d G . . E -1
C6E C 0.6808(4) 0.6083(4) 0.8513(11) 0.0527(11) Uani 1 1 d G . . E -1
H6E H 0.678453 0.583394 0.876548 0.063 Uiso 1 1 calc R . . E -1
O1E O 0.7886(3) 0.6557(6) 0.8981(12) 0.0631(9) Uani 1 1 d G . . E -1
C45F C 1.0105(4) 0.7792(4) 0.1562(9) 0.0527(11) Uani 1 1 d . . . F -1
H45F H 1.000080 0.785278 0.105211 0.063 Uiso 1 1 calc R . . F -1
C46F C 1.0522(4) 0.7706(4) 0.1483(8) 0.0527(11) Uani 1 1 d G . . F -1
H46F H 1.062983 0.766433 0.199750 0.063 Uiso 1 1 calc R . . F -1
C44F C 0.9890(4) 0.7444(5) 0.1877(7) 0.0527(11) Uani 1 1 d G . . F -1
H44F H 0.997410 0.739282 0.240588 0.063 Uiso 1 1 calc R . . F -1
O37F O 1.0716(5) 0.8020(4) 0.1143(13) 0.0631(9) Uani 1 1 d G . . F -1
C47F C 1.0615(4) 0.7370(4) 0.1002(8) 0.0527(11) Uani 1 1 d G . . F -1
H47F H 1.050961 0.741842 0.048801 0.063 Uiso 1 1 calc R . . F -1
O39F O 0.9983(4) 0.7123(4) 0.1396(10) 0.0631(9) Uani 1 1 d G . . F -1
C43F C 0.9473(4) 0.7495(5) 0.1857(10) 0.0527(11) Uani 1 1 d G . . F -1
H43A H 0.935347 0.726623 0.206061 0.063 Uiso 1 1 calc R . . F -1
H43B H 0.940750 0.770364 0.220091 0.063 Uiso 1 1 calc R . . F -1
O38F O 1.0975(4) 0.7283(5) 0.0916(11) 0.0631(9) Uani 1 1 d G . . F -1
C48F C 1.0378(4) 0.7046(4) 0.1354(11) 0.0527(11) Uani 1 1 d G . . F -1
H48F H 1.039829 0.683787 0.097961 0.063 Uiso 1 1 calc R . . F -1
O36F O 0.9306(4) 0.7573(6) 0.1132(12) 0.0631(9) Uani 1 1 d G . . F -1
C9F C 1.0968(4) 0.5751(5) 0.4218(7) 0.0527(11) Uani 1 1 d . . . G -1
H9F H 1.101750 0.549918 0.399281 0.063 Uiso 1 1 calc R . . G -1
C10F C 1.1303(4) 0.5872(4) 0.4688(8) 0.0527(11) Uani 1 1 d G . . G -1
H10F H 1.126054 0.613553 0.485495 0.063 Uiso 1 1 calc R . . G -1
C8F C 1.0603(3) 0.5737(4) 0.4713(9) 0.0527(11) Uani 1 1 d G . . G -1
H8F H 1.053385 0.599586 0.487978 0.063 Uiso 1 1 calc R . . G -1
O7F O 1.1645(4) 0.5860(7) 0.4239(10) 0.0631(9) Uani 1 1 d G . . G -1
C11F C 1.1379(4) 0.5635(4) 0.5376(8) 0.0527(11) Uani 1 1 d G . . G -1
H11F H 1.142587 0.537395 0.519760 0.063 Uiso 1 1 calc R . . G -1
O9F O 1.0684(4) 0.5504(5) 0.5373(7) 0.0631(9) Uani 1 1 d G . . G -1
C7F C 1.0279(4) 0.5567(6) 0.4305(10) 0.0527(11) Uani 1 1 d G . . G -1
H7FA H 1.005733 0.556520 0.464662 0.063 Uiso 1 1 calc R . . G -1
H7FB H 1.021535 0.573004 0.387233 0.063 Uiso 1 1 calc R . . G -1
O8F O 1.1668(4) 0.5729(6) 0.5806(10) 0.0631(9) Uani 1 1 d G . . G -1
C12F C 1.0995(4) 0.5634(6) 0.5811(6) 0.0527(11) Uani 1 1 d G . . G -1
H12F H 1.102487 0.545222 0.623578 0.063 Uiso 1 1 calc R . . G -1
O6F O 1.0333(5) 0.5192(6) 0.4024(11) 0.0631(9) Uani 1 1 d G . . G -1
C13F C 1.0127(12) 0.5903(12) 0.666(2) 0.0527(11) Uani 1 1 d . . . H -1
H13A H 1.021486 0.582431 0.615579 0.063 Uiso 1 1 calc R . . H -1
H13B H 1.010269 0.567492 0.697556 0.063 Uiso 1 1 calc R . . H -1
C21F C 1.0350(4) 0.7045(4) 0.8344(9) 0.0527(11) Uani 1 1 d . . . I -1
H21F H 1.029253 0.692160 0.883640 0.063 Uiso 1 1 calc R . . I -1
C22F C 1.0583(3) 0.7390(4) 0.8501(8) 0.0527(11) Uani 1 1 d G . . I -1
H22F H 1.065448 0.750638 0.800818 0.063 Uiso 1 1 calc R . . I -1
C20F C 0.9966(4) 0.7156(4) 0.7969(7) 0.0527(11) Uani 1 1 d G . . I -1
H20F H 1.001346 0.726295 0.745654 0.063 Uiso 1 1 calc R . . I -1
O17F O 1.0927(4) 0.7289(5) 0.8894(13) 0.0631(9) Uani 1 1 d G . . I -1
C23F C 1.0391(4) 0.7683(4) 0.8979(8) 0.0527(11) Uani 1 1 d G . . I -1
H23F H 1.032640 0.756312 0.947210 0.063 Uiso 1 1 calc R . . I -1
O19F O 0.9784(4) 0.7438(4) 0.8449(10) 0.0631(9) Uani 1 1 d G . . I -1
C19F C 0.9704(5) 0.6833(5) 0.7909(10) 0.0527(11) Uani 1 1 d G . . I -1
H19A H 0.946655 0.692060 0.766825 0.063 Uiso 1 1 calc R . . I -1
H19B H 0.982006 0.664689 0.756543 0.063 Uiso 1 1 calc R . . I -1
O18F O 1.0582(5) 0.7990(4) 0.9131(11) 0.0631(9) Uani 1 1 d G . . I -1
C24F C 1.0010(4) 0.7763(4) 0.8564(11) 0.0527(11) Uani 1 1 d G . . I -1
O16F O 0.9606(5) 0.6645(5) 0.8602(12) 0.0631(9) Uani 1 1 d G . . I -1
Se11 Se 1.0859(2) 0.52409(19) 1.1118(3) 0.182(4) Uani 0.5 1 d . . . A -1
Re12 Re 1.07587(13) 0.47630(13) 1.0089(3) 0.158(3) Uani 0.5 1 d G . . A -1
Re9 Re 0.97691(13) 0.51128(11) 0.9890(3) 0.157(4) Uani 0.5 1 d G . . A -1
Re10 Re 1.03142(15) 0.49365(11) 0.89462(17) 0.136(3) Uani 0.5 1 d G . . A -1
Se10 Se 1.09575(15) 0.52400(16) 0.9119(4) 0.182(4) Uani 0.5 1 d G . . A -1
Se12 Se 0.9904(2) 0.55733(15) 1.0932(4) 0.182(4) Uani 0.5 1 d G . . A -1
Se9 Se 1.00108(19) 0.55746(12) 0.8933(4) 0.182(4) Uani 0.5 1 d G . . A -1
C11 C 1.0612(2) 0.59960(11) 1.0071(5) 0.22(3) Uiso 0.5 1 d G . . A -1
Re8 Re 1.00878(14) 0.44471(8) 0.9960(2) 0.156(4) Uani 0.5 1 d G . . A -1
Se14 Se 1.0519(2) 0.43025(16) 1.1058(3) 0.182(4) Uani 0.5 1 d G . . A -1
Se15 Se 1.06215(18) 0.43027(12) 0.9048(3) 0.182(4) Uani 0.5 1 d G . . A -1
C12 C 1.13139(14) 0.4562(2) 1.0226(5) 0.22(3) Uiso 0.5 1 d G . . A -1
Se13 Se 0.95674(17) 0.46380(17) 1.0860(3) 0.182(4) Uani 0.5 1 d G . . A -1
C7 C 1.0147(3) 0.4940(3) 1.22203(18) 0.22(3) Uiso 0.5 1 d G . . A -1
Se16 Se 0.96665(16) 0.46311(15) 0.8879(3) 0.182(4) Uani 0.5 1 d G . . A -1
C9 C 0.92163(14) 0.53196(19) 0.9702(5) 0.22(3) Uiso 0.5 1 d G . . A -1
C10 C 1.0349(2) 0.4930(2) 0.77564(18) 0.22(3) Uiso 0.5 1 d G . . A -1
N11 N 1.0686(3) 0.63039(12) 1.0116(6) 0.22(3) Uiso 0.5 1 d G . . A -1
C8 C 0.9899(2) 0.38870(10) 0.9941(4) 0.22(3) Uiso 0.5 1 d G . . A -1
N12 N 1.16140(15) 0.4442(3) 1.0304(6) 0.22(3) Uiso 0.5 1 d G . . A -1
N7 N 1.0112(4) 0.4939(3) 1.28570(18) 0.22(3) Uiso 0.5 1 d G . . A -1
N9 N 0.89242(16) 0.5435(2) 0.9540(6) 0.22(3) Uiso 0.5 1 d G . . A -1
N10 N 1.0346(3) 0.4933(3) 0.71125(18) 0.22(3) Uiso 0.5 1 d G . . A -1
N8 N 0.9818(2) 0.35821(10) 0.9930(5) 0.22(3) Uiso 0.5 1 d G . . A -1
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'
K K 0.2009 0.2494 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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'
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
Re1 Re4 Re3 90.34(5) . .
Re2 Re4 Re1 59.97(5) . .
Re2 Re4 Re3 60.37(5) . .
Re2 Re4 Re6 89.93(5) . 3_467
Re6 Re4 Re1 60.09(5) 3_467 .
Re6 Re4 Re3 59.88(5) 3_467 .
Se3 Re4 Re1 58.58(10) . .
Se3 Re4 Re3 119.07(11) . .
Se3 Re4 Re2 118.55(11) . .
Se3 Re4 Re6 59.19(10) . 3_467
Se4 Re4 Re1 119.05(11) . .
Se4 Re4 Re3 58.27(10) . .
Se4 Re4 Re2 118.63(11) . .
Se4 Re4 Re6 58.98(11) . 3_467
Se4 Re4 Se3 90.73(13) . .
Se2 Re4 Re1 58.42(10) . .
Se2 Re4 Re3 119.40(10) . .
Se2 Re4 Re2 59.04(10) . .
Se2 Re4 Re6 118.50(11) . 3_467
Se2 Re4 Se3 89.03(13) . .
Se2 Re4 Se4 177.02(15) . .
Se2 Re4 Se6 90.54(11) . .
Se6 Re4 Re1 118.92(10) . .
Se6 Re4 Re3 58.86(9) . .
Se6 Re4 Re2 58.95(10) . .
Se6 Re4 Re6 118.73(10) . 3_467
Se6 Re4 Se3 177.17(14) . .
Se6 Re4 Se4 89.56(14) . .
C4 Re4 Re1 134.5(15) 1_556 .
C4 Re4 Re3 134.9(15) 1_556 .
C4 Re4 Re2 131.7(12) 1_556 .
C4 Re4 Re6 138.4(12) 1_556 3_467
C4 Re4 Se3 93.5(13) 1_556 .
C4 Re4 Se4 94.0(14) 1_556 .
C4 Re4 Se2 89.0(14) 1_556 .
C4 Re4 Se6 89.3(13) 1_556 .
Re2 Re1 Re4 59.73(5) . .
Re2 Re1 Re6 89.59(6) . 3_467
Re2 Re1 Re5 59.91(5) . 4_656
Re6 Re1 Re4 59.75(5) 3_467 .
Re6 Re1 Re5 59.85(5) 3_467 4_656
Re5 Re1 Re4 89.75(6) 4_656 .
Se3 Re1 Re4 58.69(9) . .
Se3 Re1 Re2 118.41(11) . .
Se3 Re1 Re6 59.10(10) . 3_467
Se3 Re1 Re5 118.94(11) . 4_656
Se3 Re1 Se8 90.33(14) . 4_656
Se8 Re1 Re4 118.27(11) 4_656 .
Se8 Re1 Re2 118.29(11) 4_656 .
Se8 Re1 Re6 58.54(10) 4_656 3_467
Se8 Re1 Re5 58.40(10) 4_656 4_656
Se2 Re1 Re4 58.64(10) . .
Se2 Re1 Re2 59.03(9) . .
Se2 Re1 Re6 118.38(11) . 3_467
Se2 Re1 Re5 118.92(10) . 4_656
Se2 Re1 Se3 89.23(14) . .
Se2 Re1 Se8 176.46(14) . 4_656
Se2 Re1 Se1 90.59(15) . .
Se1 Re1 Re4 118.74(11) . .
Se1 Re1 Re2 59.02(10) . .
Se1 Re1 Re6 118.44(11) . 3_467
Se1 Re1 Re5 58.60(10) . 4_656
Se1 Re1 Se3 176.93(14) . .
Se1 Re1 Se8 89.66(15) . 4_656
C1 Re1 Re4 133.4(13) . .
C1 Re1 Re2 133.6(14) . .
C1 Re1 Re6 136.7(14) . 3_467
C1 Re1 Re5 136.8(13) . 4_656
C1 Re1 Se3 91.3(13) . .
C1 Re1 Se8 94.3(14) . 4_656
C1 Re1 Se2 89.2(14) . .
C1 Re1 Se1 91.7(13) . .
Re4 Re3 Re2 59.43(5) . .
Re6 Re3 Re4 59.74(5) 3_467 .
Re6 Re3 Re2 89.30(6) 3_467 .
Re6 Re3 Re5 59.84(5) 3_467 4_656
Re5 Re3 Re4 89.50(6) 4_656 .
Re5 Re3 Re2 59.60(5) 4_656 .
Se5 Re3 Re4 118.55(11) . .
Se5 Re3 Re2 118.45(11) . .
Se5 Re3 Re6 58.82(10) . 3_467
Se5 Re3 Re5 58.86(10) . 4_656
Se5 Re3 Se4 90.36(16) . .
Se5 Re3 Se6 176.28(14) . .
Se5 Re3 Se7 90.15(15) . .
Se4 Re3 Re4 58.70(10) . .
Se4 Re3 Re2 118.13(11) . .
Se4 Re3 Re6 59.07(10) . 3_467
Se4 Re3 Re5 118.89(11) . 4_656
Se4 Re3 Se6 89.56(14) . .
Se4 Re3 Se7 176.62(14) . .
Se6 Re3 Re4 58.42(9) . .
Se6 Re3 Re2 58.48(10) . .
Se6 Re3 Re6 118.15(10) . 3_467
Se6 Re3 Re5 118.08(11) . 4_656
Se7 Re3 Re4 118.23(11) . .
Se7 Re3 Re2 58.80(10) . .
Se7 Re3 Re6 118.56(11) . 3_467
Se7 Re3 Re5 58.74(10) . 4_656
Se7 Re3 Se6 89.71(14) . .
C3 Re3 Re4 138.5(13) 1_556 .
C3 Re3 Re2 138.0(14) 1_556 .
C3 Re3 Re6 132.6(14) 1_556 3_467
C3 Re3 Re5 131.9(13) 1_556 4_656
C3 Re3 Se5 87.5(14) 1_556 .
C3 Re3 Se4 92.1(13) 1_556 .
C3 Re3 Se6 96.2(14) 1_556 .
C3 Re3 Se7 91.3(13) 1_556 .
Re22 Re13 Re15 59.98(6) . .
Se28 Re13 Re15 58.84(11) . .
Se28 Re13 Re22 118.81(12) . .
Se28 Re13 Se31 135.33(19) . .
Se28 Re13 Se29 46.42(18) . .
Se28 Re13 Re19 88.62(15) . .
Se32 Re13 Re15 119.01(12) . .
Se32 Re13 Re22 59.04(11) . .
Se32 Re13 Se28 177.01(15) . .
Se32 Re13 Se31 45.01(19) . .
Se32 Re13 Se29 133.98(19) . .
Se32 Re13 Re19 88.93(15) . .
Se25 Re13 Re15 118.25(13) . .
Se25 Re13 Re22 118.56(13) . .
Se25 Re13 Se28 89.40(15) . .
Se25 Re13 Se32 90.05(15) . .
Se25 Re13 Se31 135.0(2) . .
Se25 Re13 Se29 135.8(2) . .
Se25 Re13 Re19 44.66(15) . .
Se30 Re13 Re15 59.22(12) . .
Se30 Re13 Re22 58.89(11) . .
Se30 Re13 Se28 90.52(15) . .
Se30 Re13 Se32 89.87(15) . .
Se30 Re13 Se25 176.89(17) . .
Se30 Re13 Se31 44.9(2) . .
Se30 Re13 Se29 44.12(19) . .
Se30 Re13 Re19 132.23(15) . .
C13 Re13 Re15 133.5(13) . .
C13 Re13 Re22 133.8(13) . .
C13 Re13 Se28 91.4(12) . .
C13 Re13 Se32 91.6(12) . .
C13 Re13 Se25 93.8(14) . .
C13 Re13 Se30 89.3(14) . .
C13 Re13 Se31 90.2(13) . .
C13 Re13 Se26 94.2(13) . .
C13 Re13 Se27 93.4(13) . .
C13 Re13 Se29 89.2(13) . .
C13 Re13 Re19 138.5(14) . .
Se31 Re13 Re15 89.18(17) . .
Se31 Re13 Re22 43.70(15) . .
Se31 Re13 Re19 117.90(17) . .
Se26 Re13 Re15 132.25(14) . .
Se26 Re13 Re22 87.70(15) . .
Se26 Re13 Se28 135.1(2) . .
Se26 Re13 Se32 44.30(19) . .
Se26 Re13 Se25 45.76(19) . .
Se26 Re13 Se30 134.0(2) . .
Se26 Re13 Se31 89.26(17) . .
Se26 Re13 Se29 176.12(18) . .
Se26 Re13 Re19 58.98(11) . .
Se27 Re13 Re15 88.05(16) . .
Se27 Re13 Re22 132.75(16) . .
Se27 Re13 Se28 44.18(18) . .
Se27 Re13 Se32 135.21(19) . .
Se27 Re13 Se25 45.22(19) . .
Se27 Re13 Se30 134.6(2) . .
Se27 Re13 Se31 176.44(17) . .
Se27 Re13 Se26 90.93(17) . .
Se27 Re13 Se29 90.60(18) . .
Se27 Re13 Re19 59.37(12) . .
Se29 Re13 Re15 44.26(15) . .
Se29 Re13 Re22 88.64(16) . .
Se29 Re13 Se31 88.99(17) . .
Se29 Re13 Re19 119.05(18) . .
Re19 Re13 Re15 80.18(11) . .
Re19 Re13 Re22 80.20(11) . .
Re4 Re2 Re1 60.30(5) . .
Re4 Re2 Re3 60.20(5) . .
Re4 Re2 Re5 90.22(5) . 4_656
Re1 Re2 Re3 90.43(5) . .
Re5 Re2 Re1 60.17(5) 4_656 .
Re5 Re2 Re3 60.09(5) 4_656 .
Se2 Re2 Re4 58.64(10) . .
Se2 Re2 Re1 58.41(10) . .
Se2 Re2 Re3 118.83(11) . .
Se2 Re2 Re5 118.57(10) . 4_656
Se2 Re2 Se1 89.91(14) . .
Se2 Re2 Se7 176.63(14) . .
Se1 Re2 Re4 118.82(11) . .
Se1 Re2 Re1 58.53(10) . .
Se1 Re2 Re3 118.62(11) . .
Se1 Re2 Re5 58.54(11) . 4_656
Se1 Re2 Se7 90.11(12) . .
Se6 Re2 Re4 58.77(9) . .
Se6 Re2 Re1 119.06(10) . .
Se6 Re2 Re3 58.74(10) . .
Se6 Re2 Re5 118.82(11) . 4_656
Se6 Re2 Se2 90.19(11) . .
Se6 Re2 Se1 176.90(14) . .
Se6 Re2 Se7 89.60(13) . .
Se7 Re2 Re4 118.55(12) . .
Se7 Re2 Re1 118.93(11) . .
Se7 Re2 Re3 58.35(11) . .
Se7 Re2 Re5 58.77(10) . 4_656
C2 Re2 Re4 134.4(12) . .
C2 Re2 Re1 132.8(13) . .
C2 Re2 Re3 136.8(13) . .
C2 Re2 Re5 135.3(12) . 4_656
C2 Re2 Se2 90.0(12) . .
C2 Re2 Se1 90.6(12) . .
C2 Re2 Se6 92.5(12) . .
C2 Re2 Se7 93.4(12) . .
Re4 Re6 Re1 60.17(5) 3_567 3_567
Re4 Re6 Re3 60.38(5) 3_567 3_567
Re4 Re6 Re5 90.13(5) 3_567 2_766
Re3 Re6 Re1 90.68(5) 3_567 3_567
Re5 Re6 Re1 60.08(5) 2_766 3_567
Re5 Re6 Re3 60.30(5) 2_766 3_567
Se3 Re6 Re4 58.62(10) 3_567 3_567
Se3 Re6 Re1 58.43(10) 3_567 3_567
Se3 Re6 Re3 118.99(11) 3_567 3_567
Se3 Re6 Re5 118.51(11) 3_567 2_766
Se5 Re6 Re4 118.75(11) 3_567 3_567
Se5 Re6 Re1 118.97(12) 3_567 3_567
Se5 Re6 Re3 58.38(10) 3_567 3_567
Se5 Re6 Re5 58.89(11) 3_567 2_766
Se5 Re6 Se3 176.79(14) 3_567 3_567
Se5 Re6 Se4 89.66(14) 3_567 3_567
Se5 Re6 Se8 89.82(12) 3_567 2_766
Se4 Re6 Re4 58.70(11) 3_567 3_567
Se4 Re6 Re1 118.86(11) 3_567 3_567
Se4 Re6 Re3 58.35(11) 3_567 3_567
Se4 Re6 Re5 118.64(11) 3_567 2_766
Se4 Re6 Se3 90.22(12) 3_567 3_567
Se8 Re6 Re4 119.02(11) 2_766 3_567
Se8 Re6 Re1 58.87(10) 2_766 3_567
Se8 Re6 Re3 118.88(11) 2_766 3_567
Se8 Re6 Re5 58.58(10) 2_766 2_766
Se8 Re6 Se3 90.12(13) 2_766 3_567
Se8 Re6 Se4 176.87(14) 2_766 3_567
C6 Re6 Re4 136.2(12) . 3_567
C6 Re6 Re1 132.3(14) . 3_567
C6 Re6 Re3 137.0(14) . 3_567
C6 Re6 Re5 133.6(12) . 2_766
C6 Re6 Se3 90.9(14) . 3_567
C6 Re6 Se5 92.3(14) . 3_567
C6 Re6 Se4 94.3(13) . 3_567
C6 Re6 Se8 88.8(13) . 2_766
Re1 Re5 Re3 90.41(5) 4_646 4_646
Re2 Re5 Re1 59.92(5) 4_646 4_646
Re2 Re5 Re3 60.31(5) 4_646 4_646
Re2 Re5 Re6 89.72(5) 4_646 2_764
Re6 Re5 Re1 60.07(5) 2_764 4_646
Re6 Re5 Re3 59.86(5) 2_764 4_646
Se5 Re5 Re1 118.65(11) 4_646 4_646
Se5 Re5 Re3 58.14(10) 4_646 4_646
Se5 Re5 Re2 118.43(11) 4_646 4_646
Se5 Re5 Re6 58.60(11) 4_646 2_764
Se5 Re5 Se7 89.56(15) 4_646 4_646
Se8 Re5 Re1 58.92(10) . 4_646
Se8 Re5 Re3 118.63(11) . 4_646
Se8 Re5 Re2 118.82(11) . 4_646
Se8 Re5 Re6 58.78(10) . 2_764
Se8 Re5 Se5 89.76(12) . 4_646
Se8 Re5 Se1 89.98(14) . 4_646
Se8 Re5 Se7 176.83(14) . 4_646
Se1 Re5 Re1 58.59(10) 4_646 4_646
Se1 Re5 Re3 119.33(11) 4_646 4_646
Se1 Re5 Re2 59.02(11) 4_646 4_646
Se1 Re5 Re6 118.65(11) 4_646 2_764
Se1 Re5 Se5 176.76(15) 4_646 4_646
Se1 Re5 Se7 90.53(12) 4_646 4_646
Se7 Re5 Re1 118.87(11) 4_646 4_646
Se7 Re5 Re3 58.49(10) 4_646 4_646
Se7 Re5 Re2 58.97(10) 4_646 4_646
Se7 Re5 Re6 118.34(11) 4_646 2_764
C5 Re5 Re1 134.0(15) . 4_646
C5 Re5 Re3 135.6(15) . 4_646
C5 Re5 Re2 133.6(11) . 4_646
C5 Re5 Re6 136.7(11) . 2_764
C5 Re5 Se5 93.6(14) . 4_646
C5 Re5 Se8 91.9(13) . .
C5 Re5 Se1 89.7(14) . 4_646
C5 Re5 Se7 91.2(13) . 4_646
Re15 Re14 Re22 59.94(6) . .
Se18 Re14 Re15 118.72(12) . .
Se18 Re14 Re22 58.79(11) . .
Se18 Re14 Se24 90.00(15) . .
Se18 Re14 Se19 46.07(18) . .
Se18 Re14 Re19 88.61(16) . .
Se18 Re14 Se21 133.7(2) . .
Se22 Re14 Re15 58.97(11) . .
Se22 Re14 Re22 118.90(12) . .
Se22 Re14 Se18 176.55(16) . .
Se22 Re14 Se24 89.12(15) . .
Se22 Re14 Se19 134.57(19) . .
Se22 Re14 Re19 88.46(15) . .
Se22 Re14 Se21 46.93(19) . .
Se24 Re14 Re15 118.08(12) . .
Se24 Re14 Re22 118.40(13) . .
Se24 Re14 Se19 136.01(19) . .
Se24 Re14 Re19 43.62(15) . .
Se24 Re14 Se21 136.0(2) . .
Se20 Re14 Re15 58.69(12) . .
Se20 Re14 Re22 58.72(13) . .
Se20 Re14 Se18 90.20(15) . .
Se20 Re14 Se22 90.46(16) . .
Se20 Re14 Se24 176.25(17) . .
Se20 Re14 Se19 44.14(19) . .
Se20 Re14 Re19 132.64(16) . .
Se20 Re14 Se21 43.5(2) . .
C14 Re14 Re15 134.0(13) . .
C14 Re14 Re22 136.4(13) . .
C14 Re14 Se18 93.3(12) . .
C14 Re14 Se22 90.0(12) . .
C14 Re14 Se24 91.9(15) . .
C14 Re14 Se20 91.8(15) . .
C14 Re14 Se19 92.7(13) . .
C14 Re14 Re19 135.5(15) . .
C14 Re14 Se17 92.1(13) . .
C14 Re14 Se23 90.3(13) . .
C14 Re14 Se21 90.9(13) . .
Se19 Re14 Re15 88.37(15) . .
Se19 Re14 Re22 43.61(15) . .
Se19 Re14 Se21 87.67(16) . .
Re19 Re14 Re15 80.92(11) . .
Re19 Re14 Re22 80.89(11) . .
Re19 Re14 Se19 118.84(18) . .
Re19 Re14 Se21 118.79(18) . .
Se17 Re14 Re15 133.88(14) . .
Se17 Re14 Re22 88.61(16) . .
Se17 Re14 Se18 43.87(19) . .
Se17 Re14 Se22 135.28(19) . .
Se17 Re14 Se24 46.17(19) . .
Se17 Re14 Se20 134.1(2) . .
Se17 Re14 Se19 89.94(18) . .
Se17 Re14 Re19 60.03(11) . .
Se17 Re14 Se23 92.33(18) . .
Se17 Re14 Se21 176.2(2) . .
Se23 Re14 Re15 87.82(16) . .
Se23 Re14 Re22 133.32(16) . .
Se23 Re14 Se18 136.1(2) . .
Se23 Re14 Se22 42.98(19) . .
Se23 Re14 Se24 46.16(19) . .
Se23 Re14 Se20 133.4(2) . .
Se23 Re14 Se19 176.2(2) . .
Se23 Re14 Re19 59.98(12) . .
Se23 Re14 Se21 89.90(18) . .
Se21 Re14 Re15 43.13(15) . .
Se21 Re14 Re22 87.63(17) . .
Re15 Re18 Re14 59.93(6) . .
Re15 Re18 Re20 89.90(7) . .
Re20 Re18 Re14 60.10(6) . .
Se28 Re18 Re14 118.90(12) . .
Se28 Re18 Re15 58.98(11) . .
Se28 Re18 Re20 118.68(13) . .
Se28 Re18 Se25 89.52(16) . .
Se22 Re18 Re14 58.83(12) . .
Se22 Re18 Re15 59.21(11) . .
Se22 Re18 Re20 118.93(13) . .
Se22 Re18 Se28 90.37(15) . .
Se22 Re18 Se24 89.77(16) . .
Se22 Re18 Se25 177.19(16) . .
Se24 Re18 Re14 58.96(11) . .
Se24 Re18 Re15 118.88(13) . .
Se24 Re18 Re20 58.95(12) . .
Se24 Re18 Se28 177.23(16) . .
Se24 Re18 Se25 90.21(16) . .
Se25 Re18 Re14 118.90(13) . .
Se25 Re18 Re15 118.48(13) . .
Se25 Re18 Re20 58.81(12) . .
C18 Re18 Re14 137.9(15) . .
C18 Re18 Re15 132.7(15) . .
C18 Re18 Re20 137.2(15) . .
C18 Re18 Se28 87.7(15) . .
C18 Re18 Se22 91.7(15) . .
C18 Re18 Se24 95.0(15) . .
C18 Re18 Se25 91.1(15) . .
Re17 Re18 Re14 73.6(2) . .
Re17 Re18 Re15 21.44(17) . .
Re17 Re18 Re20 111.34(19) . .
Re17 Re18 Se28 48.9(2) . .
Re17 Re18 Se22 49.4(2) . .
Re17 Re18 Se24 129.9(3) . .
Re17 Re18 Se25 129.1(3) . .
Re17 Re18 C18 111.3(15) . .
Re17 Re18 Se27 96.9(3) . .
Re17 Re18 Se23 95.9(3) . .
Se27 Re18 Re14 154.5(2) . .
Se27 Re18 Re15 103.2(2) . .
Se27 Re18 Re20 104.0(2) . .
Se27 Re18 Se28 48.1(2) . .
Se27 Re18 Se22 131.9(2) . .
Se27 Re18 Se24 133.0(2) . .
Se27 Re18 Se25 49.3(2) . .
Se27 Re18 C18 67.6(15) . .
Se27 Re18 Se23 141.6(2) . .
Re19 Re18 Re14 72.2(2) . .
Re19 Re18 Re15 110.41(18) . .
Re19 Re18 Re20 20.54(16) . .
Re19 Re18 Se28 130.1(2) . .
Re19 Re18 Se22 128.2(2) . .
Re19 Re18 Se24 48.2(2) . .
Re19 Re18 Se25 50.3(2) . .
Re19 Re18 C18 116.8(15) . .
Re19 Re18 Re17 131.8(3) . .
Re19 Re18 Se27 99.6(3) . .
Re19 Re18 Se23 98.4(3) . .
Se23 Re18 Re14 63.8(2) . .
Se23 Re18 Re15 101.8(2) . .
Se23 Re18 Re20 104.7(2) . .
Se23 Re18 Se28 130.9(2) . .
Se23 Re18 Se22 46.5(2) . .
Se23 Re18 Se24 50.4(2) . .
Se23 Re18 Se25 134.8(2) . .
Se23 Re18 C18 74.0(15) . .
Re18 Re15 Re14 60.37(6) . .
Re18 Re15 Re22 90.15(7) . .
Re22 Re15 Re14 60.06(6) . .
Se28 Re15 Re14 119.13(11) . .
Se28 Re15 Re18 58.77(10) . .
Se28 Re15 Re22 118.79(12) . .
Se28 Re15 Se22 89.82(16) . .
Se28 Re15 Se30 90.09(16) . .
Se22 Re15 Re14 58.77(11) . .
Se22 Re15 Re18 58.50(11) . .
Se22 Re15 Re22 118.81(13) . .
Se22 Re15 Se30 176.91(15) . .
Se30 Re15 Re14 118.74(12) . .
Se30 Re15 Re18 118.97(12) . .
Se30 Re15 Re22 58.67(11) . .
Se20 Re15 Re14 58.53(11) . .
Se20 Re15 Re18 118.89(13) . .
Se20 Re15 Re22 58.71(13) . .
Se20 Re15 Se28 177.03(16) . .
Se20 Re15 Se22 90.24(17) . .
Se20 Re15 Se30 89.69(17) . .
C15 Re15 Re14 135.2(16) . .
C15 Re15 Re18 137.0(18) . .
C15 Re15 Re22 132.8(18) . .
C15 Re15 Se28 92.6(18) . .
C15 Re15 Se22 93.5(17) . .
C15 Re15 Se30 89.6(17) . .
C15 Re15 Se20 90.3(18) . .
Re16 Re15 Re14 76.23(19) . .
Re16 Re15 Re18 115.03(17) . .
Re16 Re15 Re22 24.88(15) . .
Re16 Re15 Se28 130.4(2) . .
Re16 Re15 Se22 131.5(3) . .
Re16 Re15 Se30 47.1(2) . .
Re16 Re15 Se20 48.1(2) . .
Re16 Re15 C15 107.9(18) . .
Re16 Re15 Se29 94.9(3) . .
Re16 Re15 Se21 96.1(3) . .
Re17 Re15 Re14 75.5(2) . .
Re17 Re15 Re18 23.53(18) . .
Re17 Re15 Re22 113.69(19) . .
Re17 Re15 Se28 48.0(3) . .
Re17 Re15 Se22 48.1(3) . .
Re17 Re15 Se30 130.4(3) . .
Re17 Re15 Se20 130.7(3) . .
Re17 Re15 C15 113.5(18) . .
Re17 Re15 Re16 138.6(3) . .
Re17 Re15 Se29 98.9(3) . .
Re17 Re15 Se21 100.2(3) . .
Se29 Re15 Re14 156.1(2) . .
Se29 Re15 Re18 105.8(2) . .
Se29 Re15 Re22 103.3(2) . .
Se29 Re15 Se28 51.0(2) . .
Se29 Re15 Se22 133.6(2) . .
Se29 Re15 Se30 47.9(2) . .
Se29 Re15 Se20 130.3(2) . .
Se29 Re15 C15 68.6(16) . .
Se21 Re15 Re14 67.3(2) . .
Se21 Re15 Re18 107.3(2) . .
Se21 Re15 Re22 104.2(2) . .
Se21 Re15 Se28 133.5(3) . .
Se21 Re15 Se22 52.2(2) . .
Se21 Re15 Se30 129.3(3) . .
Se21 Re15 Se20 48.2(3) . .
Se21 Re15 C15 67.9(16) . .
Se21 Re15 Se29 136.4(2) . .
Re18 Re20 Re13 60.29(6) . .
Re22 Re20 Re13 59.93(6) . .
Re22 Re20 Re18 90.09(7) . .
Se18 Re20 Re13 118.76(11) . .
Se18 Re20 Re18 118.87(13) . .
Se18 Re20 Re22 58.83(10) . .
Se18 Re20 Se32 90.08(16) . .
Se32 Re20 Re13 58.51(11) . .
Se32 Re20 Re18 118.80(12) . .
Se32 Re20 Re22 58.88(10) . .
Se24 Re20 Re13 118.91(13) . .
Se24 Re20 Re18 58.63(12) . .
Se24 Re20 Re22 118.85(13) . .
Se24 Re20 Se18 90.11(17) . .
Se24 Re20 Se32 177.02(15) . .
Se25 Re20 Re13 58.68(11) . .
Se25 Re20 Re18 58.77(11) . .
Se25 Re20 Re22 118.60(12) . .
Se25 Re20 Se18 176.97(16) . .
Se25 Re20 Se32 89.67(16) . .
Se25 Re20 Se24 89.98(16) . .
C20 Re20 Re13 135.1(16) . .
C20 Re20 Re18 133.2(17) . .
C20 Re20 Re22 136.7(17) . .
C20 Re20 Se18 92.5(17) . .
C20 Re20 Se32 92.8(16) . .
C20 Re20 Se24 90.1(16) . .
C20 Re20 Se25 90.5(17) . .
Re21 Re20 Re13 74.77(19) . .
Re21 Re20 Re18 112.61(18) . .
Re21 Re20 Re22 22.53(17) . .
Re21 Re20 Se18 47.7(2) . .
Re21 Re20 Se32 49.3(2) . .
Re21 Re20 Se24 129.4(2) . .
Re21 Re20 Se25 130.6(2) . .
Re21 Re20 C20 114.2(18) . .
Re21 Re20 Se26 97.5(3) . .
Re21 Re20 Se17 94.9(3) . .
Se26 Re20 Re13 65.73(19) . .
Se26 Re20 Re18 105.4(2) . .
Se26 Re20 Re22 103.8(2) . .
Se26 Re20 Se18 130.9(3) . .
Se26 Re20 Se32 48.2(2) . .
Se26 Re20 Se24 133.0(3) . .
Se26 Re20 Se25 50.3(2) . .
Se26 Re20 C20 69.4(16) . .
Se26 Re20 Se17 140.4(2) . .
Re19 Re20 Re13 74.24(19) . .
Re19 Re20 Re18 20.75(15) . .
Re19 Re20 Re22 110.80(17) . .
Re19 Re20 Se18 128.3(2) . .
Re19 Re20 Se32 130.3(2) . .
Re19 Re20 Se24 47.8(2) . .
Re19 Re20 Se25 50.2(2) . .
Re19 Re20 C20 112.5(17) . .
Re19 Re20 Re21 133.3(3) . .
Re19 Re20 Se26 100.6(3) . .
Re19 Re20 Se17 97.8(3) . .
Se17 Re20 Re13 153.8(2) . .
Se17 Re20 Re18 104.1(2) . .
Se17 Re20 Re22 102.0(2) . .
Se17 Re20 Se18 47.2(2) . .
Se17 Re20 Se32 131.4(2) . .
Se17 Re20 Se24 50.1(2) . .
Se17 Re20 Se25 134.3(2) . .
Se17 Re20 C20 71.1(16) . .
Re15 Re22 Re13 60.03(6) . .
Re20 Re22 Re13 60.21(6) . .
Re20 Re22 Re15 89.86(7) . .
Se18 Re22 Re13 119.15(12) . .
Se18 Re22 Re15 118.79(13) . .
Se18 Re22 Re20 58.94(11) . .
Se18 Re22 Se32 90.28(15) . .
Se32 Re22 Re13 58.68(11) . .
Se32 Re22 Re15 118.71(12) . .
Se32 Re22 Re20 59.11(11) . .
Se30 Re22 Re13 58.73(11) . .
Se30 Re22 Re15 59.19(12) . .
Se30 Re22 Re20 118.94(12) . .
Se30 Re22 Se18 177.46(16) . .
Se30 Re22 Se32 89.56(15) . .
Se20 Re22 Re13 118.66(13) . .
Se20 Re22 Re15 58.63(12) . .
Se20 Re22 Re20 118.72(13) . .
Se20 Re22 Se18 90.07(17) . .
Se20 Re22 Se32 177.01(17) . .
Se20 Re22 Se30 89.96(16) . .
C22 Re22 Re13 133.9(15) . .
C22 Re22 Re15 136.9(15) . .
C22 Re22 Re20 133.2(14) . .
C22 Re22 Se18 90.6(15) . .
C22 Re22 Se32 89.5(15) . .
C22 Re22 Se30 91.9(15) . .
C22 Re22 Se20 93.4(15) . .
Re16 Re22 Re13 75.9(2) . .
Re16 Re22 Re15 25.52(16) . .
Re16 Re22 Re20 115.37(19) . .
Re16 Re22 Se18 131.6(3) . .
Re16 Re22 Se32 130.4(3) . .
Re16 Re22 Se30 47.3(2) . .
Re16 Re22 Se20 47.9(2) . .
Re16 Re22 C22 111.4(15) . .
Re16 Re22 Se31 96.7(3) . .
Re16 Re22 Se19 96.4(3) . .
Se31 Re22 Re13 66.7(2) . .
Se31 Re22 Re15 105.3(2) . .
Se31 Re22 Re20 105.4(2) . .
Se31 Re22 Se18 131.7(3) . .
Se31 Re22 Se32 49.5(2) . .
Se31 Re22 Se30 49.4(2) . .
Se31 Re22 Se20 131.6(2) . .
Se31 Re22 C22 67.3(15) . .
Se31 Re22 Se19 135.8(2) . .
Re21 Re22 Re13 76.2(2) . .
Re21 Re22 Re15 114.1(2) . .
Re21 Re22 Re20 24.26(18) . .
Re21 Re22 Se18 47.2(2) . .
Re21 Re22 Se32 49.1(2) . .
Re21 Re22 Se30 131.5(3) . .
Re21 Re22 Se20 129.9(3) . .
Re21 Re22 C22 109.0(15) . .
Re21 Re22 Re16 139.6(3) . .
Re21 Re22 Se31 98.5(3) . .
Re21 Re22 Se19 98.3(3) . .
Se19 Re22 Re13 157.5(2) . .
Se19 Re22 Re15 104.5(2) . .
Se19 Re22 Re20 106.6(2) . .
Se19 Re22 Se18 51.1(2) . .
Se19 Re22 Se32 133.1(2) . .
Se19 Re22 Se30 130.2(2) . .
Se19 Re22 Se20 48.8(2) . .
Se19 Re22 C22 68.6(15) . .
Re4 Se3 Re6 62.19(9) . 3_467
Re1 Se3 Re4 62.73(10) . .
Re1 Se3 Re6 62.47(10) . 3_467
Re3 Se5 Re6 62.79(10) . 3_467
Re3 Se5 Re5 62.99(10) . 4_656
Re6 Se5 Re5 62.51(10) 3_467 4_656
Re4 Se4 Re6 62.32(10) . 3_467
Re3 Se4 Re4 63.03(10) . .
Re3 Se4 Re6 62.58(10) . 3_467
Re6 Se8 Re1 62.60(10) 2_764 4_646
Re5 Se8 Re1 62.68(10) . 4_646
Re5 Se8 Re6 62.64(10) . 2_764
Re4 Se2 Re2 62.31(9) . .
Re1 Se2 Re4 62.94(10) . .
Re1 Se2 Re2 62.57(10) . .
Re1 Se1 Re2 62.44(10) . .
Re1 Se1 Re5 62.80(10) . 4_656
Re5 Se1 Re2 62.44(10) 4_656 .
Re4 Se6 Re3 62.72(10) . .
Re4 Se6 Re2 62.28(9) . .
Re2 Se6 Re3 62.78(10) . .
Re3 Se7 Re2 62.85(10) . .
Re3 Se7 Re5 62.77(10) . 4_656
Re5 Se7 Re2 62.26(9) 4_656 .
Re13 Se28 Re15 62.34(11) . .
Re18 Se28 Re13 62.79(10) . .
Re18 Se28 Re15 62.25(11) . .
Re17 Se28 Re13 70.87(18) . .
Re17 Se28 Re18 35.59(16) . .
Re17 Se28 Re15 31.69(16) . .
Re17 Se28 Se29 80.8(3) . .
Re17 Se28 C17 60.0(2) . .
Se27 Se28 Re13 66.8(2) . .
Se27 Se28 Re18 47.93(19) . .
Se27 Se28 Re15 106.1(2) . .
Se27 Se28 Re17 83.5(3) . .
Se27 Se28 Se29 133.7(4) . .
Se27 Se28 C17 106.4(4) . .
Se29 Se28 Re13 66.9(2) . .
Se29 Se28 Re18 107.4(2) . .
Se29 Se28 Re15 49.12(18) . .
Se29 Se28 C17 102.6(3) . .
C17 Se28 Re13 130.8(2) . .
C17 Se28 Re18 77.0(2) . .
C17 Se28 Re15 74.8(2) . .
Re14 Se18 Re20 62.55(11) . .
Re22 Se18 Re14 62.40(11) . .
Re22 Se18 Re20 62.23(11) . .
Re21 Se18 Re14 71.29(19) . .
Re21 Se18 Re20 35.31(17) . .
Re21 Se18 Re22 32.32(17) . .
Re21 Se18 Se19 81.1(3) . .
Re21 Se18 C21 59.5(2) . .
Se19 Se18 Re14 68.2(2) . .
Se19 Se18 Re20 107.5(2) . .
Se19 Se18 Re22 48.77(18) . .
Se19 Se18 C21 102.5(3) . .
C21 Se18 Re14 130.8(2) . .
C21 Se18 Re20 76.5(2) . .
C21 Se18 Re22 75.4(2) . .
Se17 Se18 Re14 66.5(2) . .
Se17 Se18 Re20 49.25(18) . .
Se17 Se18 Re22 107.1(2) . .
Se17 Se18 Re21 84.5(3) . .
Se17 Se18 Se19 134.7(4) . .
Se17 Se18 C21 106.5(4) . .
Re14 Se22 Re15 62.26(12) . .
Re18 Se22 Re14 62.83(11) . .
Re18 Se22 Re15 62.29(12) . .
Re17 Se22 Re14 70.94(19) . .
Re17 Se22 Re18 35.77(16) . .
Re17 Se22 Re15 31.62(16) . .
Re17 Se22 C17 58.6(2) . .
Re17 Se22 Se21 79.5(3) . .
Se23 Se22 Re14 66.9(2) . .
Se23 Se22 Re18 48.9(2) . .
Se23 Se22 Re15 106.9(2) . .
Se23 Se22 Re17 84.6(3) . .
Se23 Se22 C17 107.0(4) . .
Se23 Se22 Se21 134.7(4) . .
C17 Se22 Re14 129.5(3) . .
C17 Se22 Re18 76.1(2) . .
C17 Se22 Re15 73.6(2) . .
Se21 Se22 Re14 67.8(2) . .
Se21 Se22 Re18 106.8(2) . .
Se21 Se22 Re15 47.89(18) . .
Se21 Se22 C17 100.2(3) . .
Re13 Se32 Re20 62.39(11) . .
Re13 Se32 Re22 62.28(11) . .
Re22 Se32 Re20 62.01(11) . .
Se31 Se32 Re13 68.5(2) . .
Se31 Se32 Re20 107.5(2) . .
Se31 Se32 Re22 48.84(19) . .
Se31 Se32 C21 102.1(4) . .
Re21 Se32 Re13 71.53(18) . .
Re21 Se32 Re20 35.28(16) . .
Re21 Se32 Re22 32.44(16) . .
Re21 Se32 Se31 81.2(3) . .
Re21 Se32 C21 58.4(2) . .
Se26 Se32 Re13 67.7(2) . .
Se26 Se32 Re20 47.21(18) . .
Se26 Se32 Re22 105.8(2) . .
Se26 Se32 Se31 136.1(4) . .
Se26 Se32 Re21 82.5(3) . .
Se26 Se32 C21 103.4(3) . .
C21 Se32 Re13 130.0(3) . .
C21 Se32 Re20 75.8(2) . .
C21 Se32 Re22 74.8(2) . .
Re18 Se24 Re14 62.66(10) . .
Re18 Se24 Re20 62.42(12) . .
Re20 Se24 Re14 62.47(11) . .
Re19 Se24 Re14 69.27(16) . .
Re19 Se24 Re18 33.47(17) . .
Re19 Se24 Re20 32.87(17) . .
Re19 Se24 Se17 81.6(3) . .
Re19 Se24 C19 60.6(2) . .
Re19 Se24 Se23 81.6(3) . .
Se17 Se24 Re14 65.23(19) . .
Se17 Se24 Re18 106.5(2) . .
Se17 Se24 Re20 48.89(18) . .
Se17 Se24 C19 105.9(4) . .
Se17 Se24 Se23 130.5(3) . .
C19 Se24 Re14 129.9(2) . .
C19 Se24 Re18 75.1(2) . .
C19 Se24 Re20 75.1(2) . .
Se23 Se24 Re14 65.3(2) . .
Se23 Se24 Re18 48.27(19) . .
Se23 Se24 Re20 105.9(2) . .
Se23 Se24 C19 105.5(4) . .
Re13 Se25 Re20 62.60(11) . .
Re18 Se25 Re13 62.83(10) . .
Re18 Se25 Re20 62.42(12) . .
Se26 Se25 Re13 67.0(2) . .
Se26 Se25 Re18 106.1(2) . .
Se26 Se25 Re20 47.29(18) . .
Se26 Se25 C19 102.8(3) . .
Se27 Se25 Re13 66.4(2) . .
Se27 Se25 Re18 47.77(19) . .
Se27 Se25 Re20 106.0(2) . .
Se27 Se25 Se26 133.3(3) . .
Se27 Se25 Re19 81.3(3) . .
Se27 Se25 C19 103.7(4) . .
Re19 Se25 Re13 70.11(16) . .
Re19 Se25 Re18 33.60(17) . .
Re19 Se25 Re20 33.18(17) . .
Re19 Se25 Se26 80.5(3) . .
Re19 Se25 C19 58.8(2) . .
C19 Se25 Re13 128.9(2) . .
C19 Se25 Re18 74.0(2) . .
C19 Se25 Re20 74.2(2) . .
Re13 Se30 Re15 62.23(10) . .
Re13 Se30 Re22 62.39(10) . .
Re22 Se30 Re15 62.14(11) . .
C16 Se30 Re13 132.3(2) . .
C16 Se30 Re15 77.7(2) . .
C16 Se30 Re22 76.9(2) . .
Re16 Se30 Re13 72.58(17) . .
Re16 Se30 Re15 34.73(18) . .
Re16 Se30 Re22 33.96(18) . .
Re16 Se30 C16 59.7(2) . .
Re16 Se30 Se31 82.9(3) . .
Re16 Se30 Se29 84.0(3) . .
Se31 Se30 Re13 68.6(2) . .
Se31 Se30 Re15 107.7(2) . .
Se31 Se30 Re22 48.99(19) . .
Se31 Se30 C16 103.3(4) . .
Se29 Se30 Re13 68.2(2) . .
Se29 Se30 Re15 49.3(2) . .
Se29 Se30 Re22 107.9(2) . .
Se29 Se30 C16 105.0(4) . .
Se29 Se30 Se31 136.9(4) . .
Re14 Se20 Re15 62.78(11) . .
Re14 Se20 Re22 62.80(11) . .
Re15 Se20 Re22 62.66(12) . .
C16 Se20 Re14 131.4(3) . .
C16 Se20 Re15 76.7(2) . .
C16 Se20 Re22 75.7(2) . .
Re16 Se20 Re14 73.51(18) . .
Re16 Se20 Re15 35.30(18) . .
Re16 Se20 Re22 34.20(18) . .
Re16 Se20 C16 57.9(2) . .
Re16 Se20 Se19 83.4(3) . .
Re16 Se20 Se21 84.0(3) . .
Se19 Se20 Re14 69.7(2) . .
Se19 Se20 Re15 108.9(2) . .
Se19 Se20 Re22 49.4(2) . .
Se19 Se20 C16 102.1(4) . .
Se21 Se20 Re14 70.1(2) . .
Se21 Se20 Re15 48.9(2) . .
Se21 Se20 Re22 108.7(2) . .
Se21 Se20 C16 103.1(4) . .
Se21 Se20 Se19 139.8(4) . .
O12E C16E C15E 108(3) . .
O12E C16E C17E 114(4) . .
C17E C16E C15E 110(4) . .
C15E O10E C12E 121(3) . .
O10E C15E C16E 112(3) . .
O10E C15E C14E 110(3) . .
C14E C15E C16E 112(4) . .
O5E C9E C8E 112(4) . .
O5E C9E C10E 108(4) . .
C10E C9E C8E 105(3) . .
C9E O5E C6E 119(3) . .
C12E O9E C8E 112(3) . .
C9E C8E C7E 112(3) . .
O9E C8E C9E 111(3) . .
O9E C8E C7E 109(4) . .
O10E C12E C11E 115(4) . .
O9E C12E O10E 109(3) . .
O9E C12E C11E 112(4) . .
O7E C10E C9E 111(4) . .
O7E C10E C11E 110(4) . .
C9E C10E C11E 108(4) . .
O8E C11E C10E 111(4) . .
C12E C11E O8E 108(3) . .
C12E C11E C10E 112(4) . .
C47E O38E K1 141(3) . 3_467
C42E O35E C45E 119(3) . .
O35E C45E C46E 108(4) . .
O35E C45E C44E 113(4) . .
C44E C45E C46E 113(4) . .
C21E O15E C18E 118(3) . .
C17E O13E K3 133(3) . 3_466
C18E O14E C14E 113(3) . .
C3E O40E C48E 118(3) . .
O40E C48E C47E 105(3) . .
O39E C48E O40E 111(3) . .
O39E C48E C47E 113(4) . .
C48E O39E C44E 115(3) . .
O38E C47E C48E 113(4) . .
O38E C47E C46E 113(4) . .
C46E C47E C48E 113(4) . .
O37E C46E C45E 111(4) . .
O37E C46E C47E 112(4) . .
C47E C46E C45E 112(4) . .
C45E C44E O39E 108(3) . .
C45E C44E C43E 122(4) . .
O39E C44E C43E 101(3) . .
C16E C17E C18E 113(4) . .
O13E C17E C16E 112(4) . .
O13E C17E C18E 111(3) . .
O6E C7E C8E 109(3) . .
O15E C18E O14E 111(4) . .
O15E C18E C17E 108(4) . .
O14E C18E C17E 112(3) . .
O14E C14E C15E 109(3) . .
C13E C14E C15E 117(4) . .
C13E C14E O14E 106(3) . .
C42E O34E C38E 114(4) . .
C39E O30E C36E 119(3) . .
O30E C39E C40E 110(3) . .
O30E C39E C38E 115(3) . .
C38E C39E C40E 105(4) . .
O30E C36E O29E 106(3) . .
O30E C36E C35E 115(4) . .
O29E C36E C35E 114(3) . .
C32E O29E C36E 113(3) . .
O32E C40E C39E 107(3) . .
O32E C40E C41E 111(3) . .
C41E C40E C39E 107(3) . .
O35E C42E C41E 106(4) . .
O34E C42E O35E 116(4) . .
O34E C42E C41E 111(4) . .
O33E C41E C40E 109(4) . .
O33E C41E C42E 115(4) . .
C42E C41E C40E 110(4) . .
O34E C38E C39E 110(4) . .
O34E C38E C37E 110(3) . .
C39E C38E C37E 114(4) . .
O29E C32E C33E 112(3) . .
O29E C32E C31E 107(4) . .
C31E C32E C33E 112(4) . .
O33F K2 O22F 143.6(9) 3_465 3_466
O33F K2 N5 88.0(10) 3_465 .
O22F K2 N5 99.0(9) 3_466 .
N2 K2 O33F 75.7(10) 3_466 3_465
N2 K2 O22F 69.2(10) 3_466 3_466
N2 K2 N5 116.3(11) 3_466 .
O18E K2 O33F 147.8(9) . 3_465
O18E K2 O22F 66.3(7) . 3_466
O18E K2 N5 71.7(8) . .
O18E K2 N2 135.5(10) . 3_466
O38E K1 O2F 63.3(9) 3_567 1_556
O38E K1 O13F 143.6(10) 3_567 .
O38E K1 O17F 110.9(8) 3_567 .
O38E K1 N11 138.5(8) 3_567 .
O13F K1 O2F 149.2(9) . 1_556
O13F K1 O17F 61.6(8) . .
O13F K1 N11 77.6(7) . .
O17F K1 O2F 134.3(8) . 1_556
N11 K1 O2F 75.8(7) . 1_556
N11 K1 O17F 92.0(5) . .
C24E O20E C27E 117(3) . .
C30E O25E C33E 122(3) . .
O27E C34E C33E 110(4) . .
O27E C34E C35E 109(4) . .
C33E C34E C35E 117(4) . .
O20E C24E C23E 105(3) . .
O19E C24E O20E 107(3) . .
O19E C24E C23E 116(3) . .
O25E C33E C32E 111(4) . .
O25E C33E C34E 114(4) . .
C34E C33E C32E 107(4) . .
O11E C13E C14E 114(4) . .
C34E C35E C36E 109(4) . .
O28E C35E C36E 105(3) . .
O28E C35E C34E 119(4) . .
O26E C31E C32E 116(4) . .
O13E K3 O13E 167.9(13) 4_656 3_566
O27F K3 O13E 66.8(9) 2_775 4_656
O27F K3 O13E 103.6(10) . 4_656
O27F K3 O13E 103.6(10) 2_775 3_566
O27F K3 O13E 66.8(9) . 3_566
O27F K3 O27F 82.8(14) 2_775 .
O23F K3 O13E 69.4(9) . 3_566
O23F K3 O13E 69.4(9) 2_775 4_656
O23F K3 O13E 115.0(10) . 4_656
O23F K3 O13E 115.0(10) 2_775 3_566
O23F K3 O27F 150.6(11) . 2_775
O23F K3 O27F 150.6(11) 2_775 .
O23F K3 O27F 68.1(9) 2_775 2_775
O23F K3 O27F 68.1(9) . .
O23F K3 O23F 141.3(14) . 2_775
C45F O35F C42F 115(3) . .
C9F O5F C6F 115(3) . .
C12F O10F C15F 123(3) . .
C3F O40F C48F 119(3) . .
C4F O2F K1 144(2) . 1_554
O12F C16F C15F 111(4) . .
O12F C16F C17F 113(4) . .
C15F C16F C17F 106(4) . .
O40F C3F C4F 111(4) . .
O40F C3F C2F 113(4) . .
C2F C3F C4F 108(4) . .
O10F C15F C16F 110(4) . .
O10F C15F C14F 114(4) . .
C16F C15F C14F 112(4) . .
Re15 C15 Se29 55.0(14) . .
Re15 C15 Se21 54.6(14) . .
N15 C15 Re15 174(5) . .
N15 C15 Se29 124(4) . .
N15 C15 Se21 126(4) . .
Se21 C15 Se29 110(2) . .
Re20 C20 Se26 52.3(13) . .
Re20 C20 Se17 52.7(13) . .
N20 C20 Re20 172(5) . .
N20 C20 Se26 122(4) . .
N20 C20 Se17 133(5) . .
Se26 C20 Se17 105(2) . .
N14 C14 Re14 166(4) . .
C5F C6F O5F 103(3) . .
O4F C6F O5F 108(3) . .
O4F C6F C5F 114(4) . .
O2F C4F C3F 107(3) . .
O2F C4F C5F 115(4) . .
C5F C4F C3F 115(4) . .
O31E C37E C38E 111(3) . .
Re22 C22 Se31 52.5(15) . .
Re22 C22 Se19 52.0(14) . .
N22 C22 Re22 177(5) . .
N22 C22 Se31 128(5) . .
N22 C22 Se19 127(5) . .
Se31 C22 Se19 105(3) . .
O3F C5F C6F 115(4) . .
O3F C5F C4F 112(4) . .
C6F C5F C4F 113(4) . .
C36F O30F C39F 119(3) . .
C17F O13F K1 136(2) . .
C21F O15F C18F 117(3) . .
C41F O33F K2 135(2) . 3_565
C42F O34F C38F 119(3) . .
C14F O14F C18F 117(4) . .
O30F C39F C40F 108(3) . .
O30F C39F C38F 107(3) . .
C40F C39F C38F 109(4) . .
O35F C42F C41F 108(4) . .
O34F C42F O35F 109(3) . .
O34F C42F C41F 110(4) . .
C6F O4F C2F 116(3) . .
C15F C14F C13F 113(4) . .
O14F C14F C15F 110(4) . .
O14F C14F C13F 108(4) . .
O14F C18F O15F 110(3) . .
O14F C18F C17F 108(4) . .
C17F C18F O15F 111(4) . .
O32F C40F C39F 112(4) . .
O32F C40F C41F 114(4) . .
C41F C40F C39F 108(4) . .
O13F C17F C16F 107(3) . .
C18F C17F C16F 114(4) . .
C18F C17F O13F 107(4) . .
O33F C41F C42F 113(4) . .
O33F C41F C40F 109(4) . .
C42F C41F C40F 116(4) . .
N13 C13 Re13 174(5) . .
C3F C2F O4F 112(4) . .
C3F C2F C1F 114(4) . .
O4F C2F C1F 100(3) . .
C34F O27F K3 139(3) . .
C36F O29F C32F 115(3) . .
C33F O25F C30F 116(3) . .
C24F O20F C27F 120(3) . .
O25F C33F C34F 105(4) . .
O25F C33F C32F 112(4) . .
C32F C33F C34F 110(3) . .
C28F O22F K2 151(3) . 3_566
O30F C36F C35F 110(4) . .
O29F C36F O30F 110(4) . .
O29F C36F C35F 111(3) . .
O22F C28F C27F 108(3) . .
O22F C28F C29F 115(4) . .
C29F C28F C27F 102(3) . .
O27F C34F C33F 110(3) . .
O27F C34F C35F 111(4) . .
C35F C34F C33F 110(4) . .
O28F C35F C36F 107(3) . .
C34F C35F O28F 114(4) . .
C34F C35F C36F 111(4) . .
C29F O23F K3 139(3) . .
O29F C32F C33F 113(4) . .
O29F C32F C31F 105(3) . .
C31F C32F C33F 115(4) . .
O31F C37F C38F 114(4) . .
C25F C26F C27F 109(4) . .
O24F C26F C27F 104(3) . .
O24F C26F C25F 113(4) . .
O34F C38F C39F 105(3) . .
O34F C38F C37F 105(3) . .
C37F C38F C39F 112(4) . .
O20F C27F C28F 106(3) . .
O20F C27F C26F 109(3) . .
C28F C27F C26F 111(3) . .
C26F C25F O21F 107(3) . .
O23F C29F C28F 106(3) . .
O23F C29F C30F 113(4) . .
C30F C29F C28F 112(4) . .
C26F O24F C30F 118(4) . .
O26F C31F C32F 109(4) . .
O25F C30F C29F 109(4) . .
O24F C30F O25F 112(3) . .
O24F C30F C29F 110(4) . .
Re18 C18 Se27 51.3(14) . .
Re18 C18 Se23 49.0(13) . .
N18 C18 Re18 169(5) . .
N18 C18 Se27 137(5) . .
N18 C18 Se23 122(5) . .
Se27 C18 Se23 100(2) . .
O1F C1F C2F 106(3) . .
N1 C1 Re1 175(5) . .
N3 C3 Re3 175(5) . 1_554
N4 C4 Re4 173(5) . 1_554
N5 C5 Re5 167(4) . .
N2 C2 Re2 179(4) . .
N6 C6 Re6 164(4) . .
C5 N5 K2 164(4) . .
C2 N2 K2 155(4) . 3_566
O36E C43E C44E 105(4) . .
Re7 Re11 Re12 59.3(2) . .
Se11 Re11 Re7 57.9(2) . .
Se11 Re11 Re12 57.7(2) . .
Se11 Re11 Re9 118.9(2) . .
Se11 Re11 Re10 117.6(3) . .
Re9 Re11 Re7 61.0(2) . .
Re9 Re11 Re12 90.52(15) . .
Re9 Re11 Re10 60.69(14) . .
Re10 Re11 Re7 90.30(18) . .
Re10 Re11 Re12 59.98(15) . .
Se10 Re11 Re7 117.2(4) . .
Se10 Re11 Se11 88.0(3) . .
Se10 Re11 Re12 57.9(2) . .
Se10 Re11 Re9 119.4(2) . .
Se10 Re11 Re10 58.73(17) . .
Se12 Re11 Re7 59.1(3) . .
Se12 Re11 Se11 89.7(2) . .
Se12 Re11 Re12 118.4(2) . .
Se12 Re11 Re9 59.3(2) . .
Se12 Re11 Re10 120.0(3) . .
Se12 Re11 Se10 176.3(3) . .
Se9 Re11 Re7 120.7(3) . .
Se9 Re11 Se11 177.0(3) . .
Se9 Re11 Re12 119.4(2) . .
Se9 Re11 Re9 59.8(2) . .
Se9 Re11 Re10 59.40(16) . .
Se9 Re11 Se10 90.5(2) . .
Se9 Re11 Se12 91.6(4) . .
C11 Re11 Re7 133.7(3) . .
C11 Re11 Se11 91.6(3) . .
C11 Re11 Re12 135.3(5) . .
C11 Re11 Re9 134.1(5) . .
C11 Re11 Re10 136.0(3) . .
C11 Re11 Se10 93.1(3) . .
C11 Re11 Se12 90.0(3) . .
C11 Re11 Se9 91.1(3) . .
Re11 Re7 Re9 58.6(2) . .
Se11 Re7 Re11 60.0(2) . .
Se11 Re7 Re12 58.9(2) . .
Se11 Re7 Re9 118.6(2) . .
Se11 Re7 Se12 90.3(2) . .
Se11 Re7 Re8 119.2(3) . .
Se11 Re7 Se13 176.5(2) . .
Re12 Re7 Re11 60.9(2) . .
Re12 Re7 Re9 90.11(14) . .
Re12 Re7 Re8 60.29(16) . .
Se12 Re7 Re11 58.1(3) . .
Se12 Re7 Re12 119.0(2) . .
Se12 Re7 Re9 58.2(2) . .
Se12 Re7 Re8 118.2(3) . .
Se12 Re7 Se13 88.7(4) . .
Re8 Re7 Re11 89.79(17) . .
Re8 Re7 Re9 60.02(13) . .
Se14 Re7 Re11 120.0(3) . .
Se14 Re7 Se11 90.4(4) . .
Se14 Re7 Re12 59.1(2) . .
Se14 Re7 Re9 118.9(2) . .
Se14 Re7 Se12 176.9(2) . .
Se14 Re7 Re8 58.90(18) . .
Se14 Re7 Se13 90.3(2) . .
Se13 Re7 Re11 116.7(3) . .
Se13 Re7 Re12 118.8(2) . .
Se13 Re7 Re9 58.09(19) . .
Se13 Re7 Re8 58.52(14) . .
C7 Re7 Re11 135.3(3) . .
C7 Re7 Se11 92.4(2) . .
C7 Re7 Re12 136.2(5) . .
C7 Re7 Re9 133.7(5) . .
C7 Re7 Se12 90.8(3) . .
C7 Re7 Re8 134.8(3) . .
C7 Re7 Se14 92.2(3) . .
C7 Re7 Se13 91.1(3) . .
Se30 C16 Se20 99.87(19) . .
N16 C16 Se30 128.34(13) . .
N16 C16 Se20 131.71(13) . .
N16 C16 Re16 178.0 . .
Re16 C16 Se30 50.52(13) . .
Re16 C16 Se20 49.35(13) . .
Re15 Re16 Re13 72.40(17) . .
Re15 Re16 Se30 98.2(3) . .
Re15 Re16 Se20 96.6(3) . .
Re15 Re16 C16 115.39(15) . .
Re15 Re16 Se31 129.3(2) . .
Re15 Re16 Re21 109.82(15) . .
Re15 Re16 Se19 128.3(2) . .
Re15 Re16 Re17 19.86(15) . .
Re15 Re16 Se29 49.9(2) . .
Re15 Re16 Se21 48.8(2) . .
Re22 Re16 Re13 72.69(19) . .
Re22 Re16 Re15 129.6(3) . .
Re22 Re16 Se30 98.7(3) . .
Re22 Re16 Se20 97.9(3) . .
Re22 Re16 C16 115.01(16) . .
Re22 Re16 Se31 49.2(2) . .
Re22 Re16 Re21 19.78(16) . .
Re22 Re16 Se19 49.4(2) . .
Re22 Re16 Re17 109.75(16) . .
Re22 Re16 Se29 128.7(2) . .
Re22 Re16 Se21 128.9(2) . .
Se30 Re16 Re13 64.96(19) . .
Se30 Re16 Se20 142.5(3) . .
Se30 Re16 C16 69.8(2) . .
Se30 Re16 Se31 49.6(3) . .
Se30 Re16 Re21 104.2(2) . .
Se30 Re16 Se19 133.2(3) . .
Se30 Re16 Re17 103.3(2) . .
Se30 Re16 Se29 48.3(3) . .
Se30 Re16 Se21 131.9(3) . .
Se20 Re16 Re13 152.5(2) . .
Se20 Re16 C16 72.8(2) . .
Se20 Re16 Se31 133.4(3) . .
Se20 Re16 Re21 102.8(2) . .
Se20 Re16 Se19 48.8(3) . .
Se20 Re16 Re17 102.2(3) . .
Se20 Re16 Se29 132.7(3) . .
Se20 Re16 Se21 48.0(3) . .
C16 Re16 Re13 134.74(10) . .
C16 Re16 Se31 91.1 . .
C16 Re16 Re21 134.8 . .
C16 Re16 Se19 92.0 . .
C16 Re16 Re17 135.2 . .
C16 Re16 Se29 91.4 . .
C16 Re16 Se21 92.3 . .
Se31 Re16 Re13 59.16(12) . .
Se31 Re16 Re21 58.6 . .
Se31 Re16 Re17 118.6 . .
Re21 Re16 Re13 60.15(11) . .
Re21 Re16 Re17 90.0 . .
Se19 Re16 Re13 118.73(11) . .
Se19 Re16 Se31 90.0 . .
Se19 Re16 Re21 58.6 . .
Se19 Re16 Re17 118.5 . .
Se19 Re16 Se29 176.6 . .
Re17 Re16 Re13 59.43(12) . .
Se29 Re16 Re13 58.42(11) . .
Se29 Re16 Se31 89.8 . .
Se29 Re16 Re21 118.6 . .
Se29 Re16 Re17 58.7 . .
Se21 Re16 Re13 118.05(11) . .
Se21 Re16 Se31 176.6 . .
Se21 Re16 Re21 118.6 . .
Se21 Re16 Se19 89.9 . .
Se21 Re16 Re17 58.6 . .
Se21 Re16 Se29 90.1 . .
Re22 Se31 Re13 69.62(14) . .
Re22 Se31 Se32 81.7(2) . .
Re22 Se31 Se30 81.6(3) . .
Re22 Se31 C22 60.2(15) . .
Re22 Se31 Re16 34.12(16) . .
Re22 Se31 Re21 32.54(15) . .
Se32 Se31 Re13 66.5(2) . .
Se32 Se31 C22 103.0(14) . .
Se32 Se31 Re16 107.53(18) . .
Se32 Se31 Re21 49.2(2) . .
Se30 Se31 Re13 66.5(2) . .
Se30 Se31 Se32 132.9(3) . .
Se30 Se31 C22 106.0(14) . .
Se30 Se31 Re16 47.5(2) . .
Se30 Se31 Re21 106.12(18) . .
C22 Se31 Re13 129.8(15) . .
C22 Se31 Re16 76.0(15) . .
C22 Se31 Re21 73.6(15) . .
Re16 Se31 Re13 62.91(10) . .
Re21 Se31 Re13 62.74(9) . .
Re21 Se31 Re16 62.7 . .
Re14 Re21 Re16 61.24(11) . .
Re14 Re21 Re19 58.66(11) . .
Re20 Re21 Re14 73.76(19) . .
Re20 Re21 Se18 97.0(3) . .
Re20 Re21 Se32 95.4(3) . .
Re20 Re21 Re16 112.62(17) . .
Re20 Re21 Se31 128.80(19) . .
Re20 Re21 Se19 131.1(2) . .
Re20 Re21 Se26 47.2(2) . .
Re20 Re21 Re19 22.64(17) . .
Re20 Re21 C21 112.19(17) . .
Re20 Re21 Se17 49.5(2) . .
Re22 Re21 Re14 74.6(2) . .
Re22 Re21 Re20 133.2(3) . .
Re22 Re21 Se18 100.5(3) . .
Re22 Re21 Se32 98.5(3) . .
Re22 Re21 Re16 20.60(19) . .
Re22 Re21 Se31 49.0(2) . .
Re22 Re21 Se19 49.1(2) . .
Re22 Re21 Se26 129.0(2) . .
Re22 Re21 Re19 110.61(19) . .
Re22 Re21 C21 114.56(19) . .
Re22 Re21 Se17 129.2(2) . .
Se18 Re21 Re14 65.8(2) . .
Se18 Re21 Se32 139.7(3) . .
Se18 Re21 Re16 106.1(2) . .
Se18 Re21 Se31 134.2(2) . .
Se18 Re21 Se19 51.4(2) . .
Se18 Re21 Se26 130.2(2) . .
Se18 Re21 Re19 103.0(2) . .
Se18 Re21 C21 69.9(3) . .
Se18 Re21 Se17 47.4(2) . .
Se32 Re21 Re14 154.2(2) . .
Se32 Re21 Re16 104.2(2) . .
Se32 Re21 Se31 49.6(2) . .
Se32 Re21 Se19 133.3(2) . .
Se32 Re21 Se26 48.2(2) . .
Se32 Re21 Re19 103.1(2) . .
Se32 Re21 C21 69.9(2) . .
Se32 Re21 Se17 131.9(2) . .
Se31 Re21 Re14 119.89(11) . .
Se31 Re21 Re16 58.7 . .
Se31 Re21 Se26 89.8 . .
Se31 Re21 Re19 118.6 . .
Se19 Re21 Re14 59.94(11) . .
Se19 Re21 Re16 58.6 . .
Se19 Re21 Se31 90.0 . .
Se19 Re21 Se26 176.6 . .
Se19 Re21 Re19 118.6 . .
Se19 Re21 Se17 89.9 . .
Se26 Re21 Re14 117.32(11) . .
Se26 Re21 Re16 118.6 . .
Se26 Re21 Re19 58.7 . .
Re19 Re21 Re16 90.0 . .
C21 Re21 Re14 135.67(10) . .
C21 Re21 Re16 135.2 . .
C21 Re21 Se31 91.3 . .
C21 Re21 Se19 92.3 . .
C21 Re21 Se26 91.1 . .
C21 Re21 Re19 134.8 . .
C21 Re21 Se17 92.0 . .
Se17 Re21 Re14 57.34(11) . .
Se17 Re21 Re16 118.6 . .
Se17 Re21 Se31 176.6 . .
Se17 Re21 Se26 90.0 . .
Se17 Re21 Re19 58.6 . .
Re22 Se19 Re14 69.42(13) . .
Re22 Se19 Se18 80.1(2) . .
Re22 Se19 C22 59.4(16) . .
Re22 Se19 Re16 34.19(16) . .
Re22 Se19 Re21 32.58(15) . .
Se18 Se19 Re14 65.7(2) . .
Se18 Se19 C22 101.2(14) . .
Se18 Se19 Re16 106.44(16) . .
Se18 Se19 Re21 47.56(19) . .
Se20 Se19 Re14 66.1(2) . .
Se20 Se19 Re22 81.9(3) . .
Se20 Se19 Se18 131.9(3) . .
Se20 Se19 C22 107.1(14) . .
Se20 Se19 Re16 47.8(2) . .
Se20 Se19 Re21 105.81(18) . .
C22 Se19 Re14 128.8(16) . .
C22 Se19 Re16 75.4(15) . .
C22 Se19 Re21 73.1(15) . .
Re16 Se19 Re14 63.31(10) . .
Re21 Se19 Re14 61.95(9) . .
Re21 Se19 Re16 62.8 . .
Re13 Re17 Re14 90.28(12) . .
Re13 Re17 Re19 59.72(11) . .
Re14 Re17 Re19 58.65(11) . .
Re18 Re17 Re13 74.1(2) . .
Re18 Re17 Re14 73.8(2) . .
Re18 Re17 Se28 95.6(3) . .
Re18 Re17 Se22 94.8(3) . .
Re18 Re17 Se27 47.7(2) . .
Re18 Re17 Se29 129.8(2) . .
Re18 Re17 Re19 23.45(18) . .
Re18 Re17 Se23 48.6(2) . .
Re18 Re17 C17 111.76(18) . .
Re18 Re17 Se21 130.7(2) . .
Re15 Re17 Re13 74.9(2) . .
Re15 Re17 Re14 74.7(2) . .
Re15 Re17 Re18 135.0(3) . .
Re15 Re17 Se28 100.4(3) . .
Re15 Re17 Se22 100.3(3) . .
Re15 Re17 Se27 130.0(2) . .
Re15 Re17 Se29 49.3(2) . .
Re15 Re17 Re19 111.58(18) . .
Re15 Re17 Se23 128.9(2) . .
Re15 Re17 C17 113.21(18) . .
Re15 Re17 Se21 48.0(2) . .
Se28 Re17 Re13 65.7(2) . .
Se28 Re17 Re14 155.7(3) . .
Se28 Re17 Se22 138.3(3) . .
Se28 Re17 Se27 47.9(2) . .
Se28 Re17 Se29 51.1(2) . .
Se28 Re17 Re19 103.5(2) . .
Se28 Re17 Se23 130.5(2) . .
Se28 Re17 C17 68.2(2) . .
Se28 Re17 Se21 133.7(2) . .
Se22 Re17 Re13 155.5(3) . .
Se22 Re17 Re14 65.5(2) . .
Se22 Re17 Se27 129.3(2) . .
Se22 Re17 Se29 135.4(2) . .
Se22 Re17 Re19 101.9(2) . .
Se22 Re17 Se23 46.3(2) . .
Se22 Re17 C17 70.3(2) . .
Se22 Re17 Se21 52.3(3) . .
Se27 Re17 Re13 57.79(11) . .
Se27 Re17 Re14 117.36(11) . .
Se27 Re17 Se29 89.8 . .
Se27 Re17 Re19 58.7 . .
Se29 Re17 Re13 58.87(11) . .
Se29 Re17 Re14 119.79(11) . .
Se29 Re17 Re19 118.6 . .
Se23 Re17 Re13 118.35(11) . .
Se23 Re17 Re14 57.37(12) . .
Se23 Re17 Se27 90.1 . .
Se23 Re17 Se29 176.6 . .
Se23 Re17 Re19 58.6 . .
Se23 Re17 Se21 89.9 . .
C17 Re17 Re13 133.88(10) . .
C17 Re17 Re14 135.81(10) . .
C17 Re17 Se27 91.3 . .
C17 Re17 Se29 91.1 . .
C17 Re17 Re19 135.2 . .
C17 Re17 Se23 92.3 . .
C17 Re17 Se21 92.1 . .
Se21 Re17 Re13 119.34(11) . .
Se21 Re17 Re14 59.96(11) . .
Se21 Re17 Se27 176.6 . .
Se21 Re17 Se29 90.0 . .
Se21 Re17 Re19 118.6 . .
Re13 Se26 Re21 63.31(10) . .
Re13 Se26 Re19 62.38(10) . .
Re20 Se26 Re13 71.64(13) . .
Re20 Se26 Se32 84.6(3) . .
Re20 Se26 Se25 82.4(3) . .
Re20 Se26 C20 58.3(14) . .
Re20 Se26 Re21 35.28(15) . .
Re20 Se26 Re19 32.74(16) . .
Se32 Se26 Re13 68.0(2) . .
Se32 Se26 Se25 135.2(3) . .
Se32 Se26 C20 107.2(16) . .
Se32 Se26 Re21 49.3(2) . .
Se32 Se26 Re19 107.87(19) . .
Se25 Se26 Re13 67.2(2) . .
Se25 Se26 C20 101.8(16) . .
Se25 Se26 Re21 108.48(17) . .
Se25 Se26 Re19 49.7(2) . .
C20 Se26 Re13 129.9(14) . .
C20 Se26 Re21 76.3(15) . .
C20 Se26 Re19 73.6(15) . .
Re19 Se26 Re21 62.7 . .
Re13 Se27 Re17 63.00(10) . .
Re13 Se27 Re19 62.77(10) . .
Re18 Se27 Re13 72.50(14) . .
Re18 Se27 Se28 84.0(2) . .
Re18 Se27 Se25 82.9(3) . .
Re18 Se27 C18 61.1(16) . .
Re18 Se27 Re17 35.41(15) . .
Re18 Se27 Re19 33.20(16) . .
Se28 Se27 Re13 69.0(2) . .
Se28 Se27 Se25 137.3(4) . .
Se28 Se27 C18 102.8(14) . .
Se28 Se27 Re17 48.6(2) . .
Se28 Se27 Re19 107.96(18) . .
Se25 Se27 Re13 68.3(2) . .
Se25 Se27 C18 105.9(14) . .
Se25 Se27 Re17 108.79(18) . .
Se25 Se27 Re19 49.8(2) . .
C18 Se27 Re13 133.5(16) . .
C18 Se27 Re17 77.4(15) . .
C18 Se27 Re19 78.4(16) . .
Re17 Se27 Re19 62.7 . .
Re15 Se29 Re13 70.16(12) . .
Re15 Se29 Se28 79.9(2) . .
Re15 Se29 C15 56.5(14) . .
Re15 Se29 Re16 35.19(16) . .
Re15 Se29 Re17 31.81(15) . .
Se28 Se29 Re13 66.65(19) . .
Se28 Se29 C15 102.5(16) . .
Se28 Se29 Re16 107.04(17) . .
Se28 Se29 Re17 48.1(2) . .
Se30 Se29 Re13 67.7(2) . .
Se30 Se29 Re15 82.8(2) . .
Se30 Se29 Se28 134.2(3) . .
Se30 Se29 C15 102.5(17) . .
Se30 Se29 Re16 47.7(2) . .
Se30 Se29 Re17 106.41(17) . .
C15 Se29 Re13 126.6(14) . .
C15 Se29 Re16 72.0(15) . .
C15 Se29 Re17 72.2(14) . .
Re16 Se29 Re13 63.33(10) . .
Re16 Se29 Re17 62.7 . .
Re17 Se29 Re13 62.34(10) . .
Re13 Re19 Re17 59.99(11) . .
Re14 Re19 Re13 91.61(12) . .
Re14 Re19 Re17 60.62(12) . .
Re18 Re19 Re13 75.14(19) . .
Re18 Re19 Re14 76.49(19) . .
Re18 Re19 Se24 98.3(3) . .
Re18 Re19 Se25 96.1(3) . .
Re18 Re19 Re17 24.71(17) . .
Re18 Re19 Se26 130.2(2) . .
Re18 Re19 Se27 47.2(2) . .
Re18 Re19 Se17 131.2(2) . .
Re18 Re19 C19 110.09(17) . .
Re18 Re19 Se23 48.2(2) . .
Re20 Re19 Re13 74.96(19) . .
Re20 Re19 Re14 76.57(19) . .
Re20 Re19 Re18 138.7(3) . .
Re20 Re19 Se24 99.3(3) . .
Re20 Re19 Se25 96.6(3) . .
Re20 Re19 Re17 114.04(16) . .
Re20 Re19 Se26 46.7(2) . .
Re20 Re19 Se27 129.2(2) . .
Re20 Re19 Se17 49.2(2) . .
Re20 Re19 C19 111.13(16) . .
Re20 Re19 Se23 131.7(2) . .
Se24 Re19 Re13 158.7(2) . .
Se24 Re19 Re14 67.11(19) . .
Se24 Re19 Se25 136.1(3) . .
Se24 Re19 Re17 106.1(2) . .
Se24 Re19 Se26 131.5(3) . .
Se24 Re19 Se27 131.5(3) . .
Se24 Re19 Se17 50.3(3) . .
Se24 Re19 C19 67.5(2) . .
Se24 Re19 Se23 50.3(3) . .
Se25 Re19 Re13 65.22(19) . .
Se25 Re19 Re14 156.8(2) . .
Se25 Re19 Re17 104.1(2) . .
Se25 Re19 Se26 49.9(2) . .
Se25 Re19 Se27 48.9(2) . .
Se25 Re19 Se17 132.7(2) . .
Se25 Re19 C19 68.6(2) . .
Se25 Re19 Se23 131.7(2) . .
Se26 Re19 Re13 58.64(12) . .
Se26 Re19 Re14 119.25(12) . .
Se26 Re19 Re17 118.6 . .
Se26 Re19 Se27 89.8 . .
Se27 Re19 Re13 57.86(11) . .
Se27 Re19 Re14 119.26(12) . .
Se27 Re19 Re17 58.6 . .
Se17 Re19 Re13 119.33(11) . .
Se17 Re19 Re14 57.99(12) . .
Se17 Re19 Re17 118.6 . .
Se17 Re19 Se26 90.1 . .
Se17 Re19 Se27 176.6 . .
C19 Re19 Re13 133.78(10) . .
C19 Re19 Re14 134.61(10) . .
C19 Re19 Re17 134.8 . .
C19 Re19 Se26 91.3 . .
C19 Re19 Se27 91.1 . .
C19 Re19 Se17 92.3 . .
C19 Re19 Se23 92.0 . .
Se23 Re19 Re13 118.58(11) . .
Se23 Re19 Re14 58.04(12) . .
Se23 Re19 Re17 58.6 . .
Se23 Re19 Se26 176.6 . .
Se23 Re19 Se27 90.0 . .
Se23 Re19 Se17 89.9 . .
Se18 C21 Se32 102.2(2) . .
Re21 C21 Se18 50.62(14) . .
Re21 C21 Se32 51.61(14) . .
N21 C21 Se18 130.44(14) . .
N21 C21 Se32 127.38(14) . .
N21 C21 Re21 178.1 . .
Re14 Se17 Re21 63.34(10) . .
Re14 Se17 Re19 61.98(10) . .
Re20 Se17 Re14 72.06(13) . .
Re20 Se17 Se24 81.0(2) . .
Re20 Se17 C20 56.2(14) . .
Re20 Se17 Re21 35.53(15) . .
Re20 Se17 Re19 33.07(15) . .
Se18 Se17 Re14 69.6(2) . .
Se18 Se17 Re20 83.5(3) . .
Se18 Se17 Se24 138.1(3) . .
Se18 Se17 C20 104.5(15) . .
Se18 Se17 Re21 48.0(2) . .
Se18 Se17 Re19 107.42(18) . .
Se24 Se17 Re14 68.6(2) . .
Se24 Se17 C20 98.6(16) . .
Se24 Se17 Re21 107.93(17) . .
Se24 Se17 Re19 48.0(2) . .
C20 Se17 Re14 128.2(14) . .
C20 Se17 Re21 75.1(14) . .
C20 Se17 Re19 72.4(15) . .
Re19 Se17 Re21 62.7 . .
Se24 C19 Se25 104.5(2) . .
Re19 C19 Se24 51.87(14) . .
Re19 C19 Se25 52.63(13) . .
N19 C19 Se24 129.18(14) . .
N19 C19 Se25 126.30(14) . .
N19 C19 Re19 178.0 . .
Re14 Se23 Re17 63.40(10) . .
Re14 Se23 Re19 61.98(10) . .
Re18 Se23 Re14 72.51(14) . .
Re18 Se23 Se24 81.3(3) . .
Re18 Se23 C18 56.9(14) . .
Re18 Se23 Re17 35.55(15) . .
Re18 Se23 Re19 33.39(16) . .
Se22 Se23 Re14 70.1(2) . .
Se22 Se23 Re18 84.6(3) . .
Se22 Se23 Se24 138.6(4) . .
Se22 Se23 C18 102.1(13) . .
Se22 Se23 Re17 49.1(2) . .
Se22 Se23 Re19 108.5(2) . .
Se24 Se23 Re14 68.6(2) . .
Se24 Se23 C18 102.2(13) . .
Se24 Se23 Re17 107.99(18) . .
Se24 Se23 Re19 48.1(2) . .
C18 Se23 Re14 129.4(14) . .
C18 Se23 Re17 74.1(14) . .
C18 Se23 Re19 75.2(14) . .
Re17 Se23 Re19 62.8 . .
Se28 C17 Se22 102.7(2) . .
Re17 C17 Se28 51.79(14) . .
Re17 C17 Se22 51.04(15) . .
N17 C17 Se28 127.13(14) . .
N17 C17 Se22 129.85(15) . .
N17 C17 Re17 178.1 . .
Re15 Se21 Re14 69.58(13) . .
Re15 Se21 Se22 79.9(2) . .
Re15 Se21 C15 57.5(14) . .
Re15 Se21 Re16 35.18(16) . .
Re15 Se21 Re17 31.74(16) . .
Se22 Se21 Re14 65.3(2) . .
Se22 Se21 C15 103.7(17) . .
Se22 Se21 Re16 106.79(17) . .
Se22 Se21 Re17 48.2(2) . .
Se20 Se21 Re14 66.4(2) . .
Se20 Se21 Re15 83.0(3) . .
Se20 Se21 Se22 131.7(3) . .
Se20 Se21 C15 104.2(17) . .
Se20 Se21 Re16 47.9(2) . .
Se20 Se21 Re17 106.02(19) . .
C15 Se21 Re14 127.1(14) . .
C15 Se21 Re16 72.7(15) . .
C15 Se21 Re17 72.8(15) . .
Re16 Se21 Re14 63.30(10) . .
Re16 Se21 Re17 62.8 . .
Re17 Se21 Re14 61.96(10) . .
O20E C27E C28E 106.3(15) . .
O20E C27E C26E 108.5(16) . .
C28E C27E C26E 110.1 . .
C27E C28E C29E 115.3 . .
O22E C28E C27E 109.9 . .
O22E C28E C29E 106.3 . .
O24E C26E C27E 107.8 . .
O24E C26E C25E 107.7 . .
C25E C26E C27E 111.9 . .
C28E C29E C30E 104.3 . .
O23E C29E C28E 117.6 . .
O23E C29E C30E 112.9 . .
C30E O24E C26E 113.6 . .
O21E C25E C26E 116.7 . .
O25E C30E C29E 113.1(17) . .
O25E C30E O24E 113.8(17) . .
O24E C30E C29E 113.7 . .
O15E C21E C22E 110.2(16) . .
O15E C21E C20E 112.4(17) . .
C22E C21E C20E 110.2 . .
O17E C22E C21E 109.9 . .
O17E C22E C23E 106.3 . .
C23E C22E C21E 115.3 . .
O19E C20E C21E 107.9 . .
O19E C20E C19E 107.8 . .
C19E C20E C21E 111.9 . .
C22E C23E C24E 108.6(17) . .
O18E C23E C24E 114.3(17) . .
O18E C23E C22E 117.6 . .
C24E O19E C20E 119.1(19) . .
O16E C19E C20E 116.8 . .
C23E O18E K2 139.3(8) . .
O40E C3E C4E 108.4(16) . .
O40E C3E C2E 111.6(17) . .
C4E C3E C2E 110.2 . .
C3E C4E C5E 115.3 . .
O2E C4E C3E 109.9 . .
O2E C4E C5E 106.2 . .
O4E C2E C3E 107.8 . .
O4E C2E C1E 107.8 . .
C1E C2E C3E 111.9 . .
C4E C5E C6E 104.3 . .
O3E C5E C4E 117.7 . .
O3E C5E C6E 112.8 . .
C6E O4E C2E 113.6 . .
O1E C1E C2E 116.8 . .
O5E C6E C5E 115.4(16) . .
O5E C6E O4E 111.8(16) . .
O4E C6E C5E 113.7 . .
O35F C45F C46F 109.9(16) . .
O35F C45F C44F 110.9(16) . .
C46F C45F C44F 110.1 . .
C45F C46F C47F 115.3 . .
O37F C46F C45F 109.9 . .
O37F C46F C47F 106.3 . .
O39F C44F C45F 107.8 . .
O39F C44F C43F 107.7 . .
C43F C44F C45F 111.9 . .
C46F C47F C48F 104.4 . .
O38F C47F C46F 117.6 . .
O38F C47F C48F 112.8 . .
C48F O39F C44F 113.6 . .
O36F C43F C44F 116.8 . .
O40F C48F C47F 113.5(16) . .
O40F C48F O39F 115.1(16) . .
O39F C48F C47F 113.7 . .
O5F C9F C10F 106.3(15) . .
O5F C9F C8F 110.5(16) . .
C10F C9F C8F 110.1 . .
O7F C10F C9F 109.9 . .
O7F C10F C11F 106.3 . .
C11F C10F C9F 115.2 . .
O9F C8F C9F 107.8 . .
O9F C8F C7F 107.8 . .
C7F C8F C9F 111.9 . .
C10F C11F C12F 104.3 . .
O8F C11F C10F 117.6 . .
O8F C11F C12F 112.8 . .
C12F O9F C8F 113.5 . .
O6F C7F C8F 116.8 . .
O10F C12F C11F 110.1(16) . .
O10F C12F O9F 113.4(17) . .
O9F C12F C11F 113.7 . .
O11F C13F C14F 114(4) . .
O15F C21F C22F 106.7(16) . .
O15F C21F C20F 115.6(16) . .
C22F C21F C20F 110.2 . .
C21F C22F C23F 115.3 . .
O17F C22F C21F 110.0 . .
O17F C22F C23F 106.3 . .
O19F C20F C21F 107.8 . .
O19F C20F C19F 107.8 . .
C19F C20F C21F 111.9 . .
C22F O17F K1 149.2(6) . .
C22F C23F C24F 104.4 . .
O18F C23F C22F 117.6 . .
O18F C23F C24F 112.8 . .
C24F O19F C20F 113.6 . .
O16F C19F C20F 116.8 . .
O20F C24F C23F 114.6(17) . .
O20F C24F O19F 113.9(17) . .
O19F C24F C23F 113.7 . .
Re7 Se11 Re11 62.1(2) . .
Re7 Se11 Re12 62.46(16) . .
Re12 Se11 Re11 62.83(15) . .
Re7 Re12 Re11 59.8(2) . .
Re7 Re12 Re10 90.10(18) . .
Re7 Re12 Re8 60.00(15) . .
Se11 Re12 Re11 59.50(16) . .
Se11 Re12 Re7 58.67(15) . .
Se11 Re12 Re10 118.7 . .
Se11 Re12 Re8 118.7 . .
Se11 Re12 Se14 89.8 . .
Re10 Re12 Re11 59.18(16) . .
Se10 Re12 Re11 58.89(16) . .
Se10 Re12 Re7 118.66(18) . .
Se10 Re12 Se11 89.8 . .
Se10 Re12 Re10 58.8 . .
Se10 Re12 Re8 118.8 . .
Se10 Re12 Se14 176.4 . .
Re8 Re12 Re11 88.96(18) . .
Re8 Re12 Re10 60.0 . .
Se14 Re12 Re11 117.98(17) . .
Se14 Re12 Re7 58.26(18) . .
Se14 Re12 Re10 118.5 . .
Se14 Re12 Re8 58.5 . .
Se15 Re12 Re11 117.57(16) . .
Se15 Re12 Re7 118.89(15) . .
Se15 Re12 Se11 176.7 . .
Se15 Re12 Re10 58.4 . .
Se15 Re12 Se10 89.7 . .
Se15 Re12 Re8 58.9 . .
Se15 Re12 Se14 90.5 . .
C12 Re12 Re11 136.48(18) . .
C12 Re12 Re7 133.49(18) . .
C12 Re12 Se11 91.0 . .
C12 Re12 Re10 136.4 . .
C12 Re12 Se10 93.0 . .
C12 Re12 Re8 134.5 . .
C12 Re12 Se14 90.6 . .
C12 Re12 Se15 92.3 . .
Re11 Re9 Re7 60.4(2) . .
Re11 Re9 Re10 60.27(17) . .
Re11 Re9 Re8 90.5(2) . .
Re10 Re9 Re7 89.70(19) . .
Re10 Re9 Re8 60.1 . .
Se12 Re9 Re11 58.84(17) . .
Se12 Re9 Re7 58.77(18) . .
Se12 Re9 Re10 119.1 . .
Se12 Re9 Re8 118.4 . .
Se9 Re9 Re11 57.82(17) . .
Se9 Re9 Re7 118.15(16) . .
Se9 Re9 Re10 58.6 . .
Se9 Re9 Se12 90.1 . .
Se9 Re9 Re8 118.7 . .
Se9 Re9 Se13 176.6 . .
Re8 Re9 Re7 59.59(18) . .
Se13 Re9 Re11 119.28(17) . .
Se13 Re9 Re7 58.93(15) . .
Se13 Re9 Re10 118.7 . .
Se13 Re9 Se12 89.6 . .
Se13 Re9 Re8 58.6 . .
Se16 Re9 Re11 119.31(17) . .
Se16 Re9 Re7 117.98(18) . .
Se16 Re9 Re10 59.1 . .
Se16 Re9 Se12 176.6 . .
Se16 Re9 Se9 91.0 . .
Se16 Re9 Re8 58.4 . .
Se16 Re9 Se13 89.1 . .
C9 Re9 Re11 133.4(2) . .
C9 Re9 Re7 139.03(19) . .
C9 Re9 Re10 131.3 . .
C9 Re9 Se12 93.5 . .
C9 Re9 Se9 88.6 . .
C9 Re9 Re8 135.9 . .
C9 Re9 Se13 94.8 . .
C9 Re9 Se16 89.7 . .
Re11 Re10 Re12 60.8(2) . .
Re11 Re10 Re9 59.0(2) . .
Re11 Re10 Re8 89.88(13) . .
Re9 Re10 Re12 90.1 . .
Re9 Re10 Re8 60.1 . .
Se10 Re10 Re11 59.4(2) . .
Se10 Re10 Re12 58.3 . .
Se10 Re10 Re9 118.4 . .
Se10 Re10 Re8 118.3 . .
Se10 Re10 Se16 175.7 . .
Se9 Re10 Re11 57.4(2) . .
Se9 Re10 Re12 118.2 . .
Se9 Re10 Re9 58.5 . .
Se9 Re10 Se10 89.6 . .
Se9 Re10 Re8 118.6 . .
Se9 Re10 Se16 90.4 . .
Re8 Re10 Re12 59.9 . .
Se15 Re10 Re11 119.3(2) . .
Se15 Re10 Re12 58.5 . .
Se15 Re10 Re9 119.0 . .
Se15 Re10 Se10 89.5 . .
Se15 Re10 Se9 176.4 . .
Se15 Re10 Re8 58.9 . .
Se15 Re10 Se16 90.2 . .
Se16 Re10 Re11 117.3(2) . .
Se16 Re10 Re12 118.1 . .
Se16 Re10 Re9 58.3 . .
Se16 Re10 Re8 58.2 . .
C10 Re10 Re11 136.23(14) . .
C10 Re10 Re12 136.9 . .
C10 Re10 Re9 133.0 . .
C10 Re10 Se10 94.3 . .
C10 Re10 Se9 91.5 . .
C10 Re10 Re8 133.8 . .
C10 Re10 Se15 92.1 . .
C10 Re10 Se16 90.0 . .
Re12 Se10 Re11 63.24(15) . .
Re12 Se10 Re10 62.9 . .
Re10 Se10 Re11 61.92(15) . .
Re11 Se12 Re7 62.8(2) . .
Re11 Se12 Re9 61.81(15) . .
Re9 Se12 Re7 63.06(13) . .
Re11 Se9 Re9 62.43(15) . .
Re11 Se9 Re10 63.25(16) . .
Re9 Se9 Re10 62.8 . .
N11 C11 Re11 175.1(3) . .
Re7 Re8 Re12 59.7(2) . .
Re7 Re8 Re9 60.4(2) . .
Re7 Re8 Re10 90.00(13) . .
Re12 Re8 Re9 90.0 . .
Re12 Re8 Re10 60.1 . .
Re10 Re8 Re9 59.8 . .
Se14 Re8 Re7 58.2(2) . .
Se14 Re8 Re12 58.7 . .
Se14 Re8 Re9 118.6 . .
Se14 Re8 Re10 118.7 . .
Se14 Re8 Se15 90.2 . .
Se14 Re8 Se13 90.3 . .
Se15 Re8 Re7 118.1(2) . .
Se15 Re8 Re12 58.4 . .
Se15 Re8 Re9 118.1 . .
Se15 Re8 Re10 58.3 . .
Se13 Re8 Re7 59.1(2) . .
Se13 Re8 Re12 118.8 . .
Se13 Re8 Re9 58.4 . .
Se13 Re8 Re10 118.2 . .
Se13 Re8 Se15 176.1 . .
Se16 Re8 Re7 118.8(2) . .
Se16 Re8 Re12 119.0 . .
Se16 Re8 Re9 58.4 . .
Se16 Re8 Re10 58.9 . .
Se16 Re8 Se14 176.6 . .
Se16 Re8 Se15 90.3 . .
Se16 Re8 Se13 89.0 . .
C8 Re8 Re7 134.32(13) . .
C8 Re8 Re12 133.8 . .
C8 Re8 Re9 136.2 . .
C8 Re8 Re10 135.7 . .
C8 Re8 Se14 90.4 . .
C8 Re8 Se15 91.7 . .
C8 Re8 Se13 92.2 . .
C8 Re8 Se16 92.8 . .
Re7 Se14 Re12 62.66(15) . .
Re7 Se14 Re8 62.92(14) . .
Re8 Se14 Re12 62.8 . .
Re12 Se15 Re8 62.7 . .
Re10 Se15 Re12 63.1 . .
Re10 Se15 Re8 62.8 . .
N12 C12 Re12 178.0 . .
Re9 Se13 Re7 62.99(15) . .
Re9 Se13 Re8 63.0 . .
Re8 Se13 Re7 62.34(17) . .
N7 C7 Re7 179.2(3) . .
Re9 Se16 Re10 62.7 . .
Re9 Se16 Re8 63.2 . .
Re8 Se16 Re10 62.9 . .
N9 C9 Re9 174.4 . .
N10 C10 Re10 175.9 . .
C11 N11 K1 139.7(3) . .
N8 C8 Re8 176.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re4 Re1 2.629(2) .
Re4 Re3 2.6340(19) .
Re4 Re2 2.6137(17) .
Re4 Re6 2.6174(18) 3_467
Re4 Se3 2.526(4) .
Re4 Se4 2.525(4) .
Re4 Se2 2.521(4) .
Re4 Se6 2.525(4) .
Re4 C4 2.04(4) 1_556
Re1 Re2 2.6202(19) .
Re1 Re6 2.626(2) 3_467
Re1 Re5 2.627(2) 4_656
Re1 Se3 2.524(4) .
Re1 Se8 2.532(4) 4_656
Re1 Se2 2.515(4) .
Re1 Se1 2.521(4) .
Re1 C1 2.09(5) .
Re3 Re2 2.639(2) .
Re3 Re6 2.621(2) 3_467
Re3 Re5 2.633(2) 4_656
Re3 Se5 2.510(4) .
Re3 Se4 2.514(4) .
Re3 Se6 2.537(4) .
Re3 Se7 2.524(4) .
Re3 C3 2.13(5) 1_556
Re13 Re15 2.622(2) .
Re13 Re22 2.621(2) .
Re13 Se28 2.532(4) .
Re13 Se32 2.529(4) .
Re13 Se25 2.529(4) .
Re13 Se30 2.528(4) .
Re13 C13 2.11(4) .
Re13 Se31 2.567(6) .
Re13 Se26 2.524(5) .
Re13 Se27 2.494(6) .
Re13 Se29 2.538(5) .
Re13 Re19 2.619(5) .
Re2 Re5 2.6199(18) 4_656
Re2 Se2 2.531(4) .
Re2 Se1 2.534(4) .
Re2 Se6 2.529(4) .
Re2 Se7 2.536(4) .
Re2 C2 2.12(5) .
Re6 Re5 2.6207(18) 2_766
Re6 Se3 2.541(4) 3_567
Re6 Se5 2.522(4) 3_567
Re6 Se4 2.533(4) 3_567
Re6 Se8 2.523(4) 2_766
Re6 C6 2.11(4) .
Re5 Se5 2.529(4) 4_646
Re5 Se8 2.518(4) .
Re5 Se1 2.521(4) 4_646
Re5 Se7 2.531(4) 4_646
Re5 C5 2.05(5) .
Re14 Re15 2.622(2) .
Re14 Re22 2.624(2) .
Re14 Se18 2.533(5) .
Re14 Se22 2.533(5) .
Re14 Se24 2.540(4) .
Re14 Se20 2.515(5) .
Re14 C14 2.11(4) .
Re14 Se19 2.579(6) .
Re14 Re19 2.579(4) .
Re14 Se17 2.477(5) .
Re14 Se23 2.478(6) .
Re14 Se21 2.581(5) .
Re18 Re15 2.616(2) .
Re18 Re20 2.621(2) .
Re18 Se28 2.528(4) .
Re18 Se22 2.519(5) .
Re18 Se24 2.525(5) .
Re18 Se25 2.528(5) .
Re18 C18 2.11(6) .
Re18 Re17 1.478(5) .
Re18 Se27 1.886(6) .
Re18 Re19 1.407(5) .
Re18 Se23 1.906(6) .
Re15 Re22 2.620(2) .
Re15 Se28 2.533(4) .
Re15 Se22 2.538(5) .
Re15 Se30 2.546(5) .
Re15 Se20 2.519(5) .
Re15 C15 1.98(5) .
Re15 Re16 1.465(5) .
Re15 Re17 1.353(5) .
Re15 Se29 1.945(5) .
Re15 Se21 1.912(5) .
Re20 Re22 2.618(2) .
Re20 Se18 2.535(5) .
Re20 Se32 2.544(5) .
Re20 Se24 2.533(5) .
Re20 Se25 2.530(5) .
Re20 C20 2.02(5) .
Re20 Re21 1.476(5) .
Re20 Se26 1.875(5) .
Re20 Re19 1.393(5) .
Re20 Se17 1.933(5) .
Re22 Se18 2.532(4) .
Re22 Se32 2.538(5) .
Re22 Se30 2.532(4) .
Re22 Se20 2.521(5) .
Re22 C22 2.11(6) .
Re22 Re16 1.431(5) .
Re22 Se31 1.931(6) .
Re22 Re21 1.377(5) .
Re22 Se19 1.933(5) .
Se28 Re17 1.912(7) .
Se28 Se27 1.891(8) .
Se28 Se29 1.998(8) .
Se28 C17 2.260(9) .
Se18 Re21 1.890(6) .
Se18 Se19 2.001(8) .
Se18 C21 2.296(9) .
Se18 Se17 1.872(8) .
Se22 Re17 1.919(7) .
Se22 Se23 1.837(8) .
Se22 C17 2.325(9) .
Se22 Se21 2.036(8) .
Se32 Se31 1.951(8) .
Se32 Re21 1.939(7) .
Se32 Se26 1.905(8) .
Se32 C21 2.323(9) .
Se24 Re19 1.902(7) .
Se24 Se17 1.968(8) .
Se24 C19 2.234(8) .
Se24 Se23 1.968(8) .
Se25 Se26 1.964(8) .
Se25 Se27 1.931(8) .
Se25 Re19 1.958(7) .
Se25 C19 2.293(9) .
Se30 C16 2.290(8) .
Se30 Re16 1.884(7) .
Se30 Se31 1.944(8) .
Se30 Se29 1.903(8) .
Se20 C16 2.376(9) .
Se20 Re16 1.888(7) .
Se20 Se19 1.915(8) .
Se20 Se21 1.891(9) .
O12E C16E 1.40(5) .
O8E C11E 1.48(5) .
C16E C15E 1.55(6) .
C16E C17E 1.50(6) .
O10E C15E 1.37(5) .
O10E C12E 1.43(5) .
C15E C14E 1.52(6) .
O7E C10E 1.38(5) .
C9E O5E 1.35(5) .
C9E C8E 1.58(6) .
C9E C10E 1.49(6) .
O5E C6E 1.37(3) .
O9E C8E 1.43(5) .
O9E C12E 1.38(5) .
C8E C7E 1.59(6) .
C12E C11E 1.48(6) .
C10E C11E 1.54(6) .
O38E C47E 1.44(5) .
O38E K1 2.83(3) 3_467
O35E C45E 1.44(5) .
O35E C42E 1.40(5) .
C45E C46E 1.52(6) .
C45E C44E 1.45(6) .
O37E C46E 1.46(5) .
O15E C18E 1.42(5) .
O15E C21E 1.38(3) .
O13E C17E 1.42(5) .
O13E K3 2.94(3) 3_466
O14E C18E 1.42(5) .
O14E C14E 1.49(5) .
O40E C48E 1.46(5) .
O40E C3E 1.34(3) .
O36E C43E 1.35(8) .
C48E O39E 1.45(5) .
C48E C47E 1.49(6) .
O39E C44E 1.51(5) .
C47E C46E 1.49(6) .
O6E C7E 1.38(5) .
C44E C43E 1.55(6) .
C17E C18E 1.50(6) .
C14E C13E 1.45(6) .
O33E C41E 1.41(5) .
O32E C40E 1.45(5) .
O34E C42E 1.35(5) .
O34E C38E 1.38(5) .
O30E C39E 1.35(5) .
O30E C36E 1.38(5) .
C39E C40E 1.57(6) .
C39E C38E 1.53(6) .
C36E O29E 1.45(5) .
C36E C35E 1.50(6) .
O29E C32E 1.41(5) .
C40E C41E 1.56(6) .
C42E C41E 1.51(6) .
C38E C37E 1.60(6) .
C32E C33E 1.61(6) .
C32E C31E 1.47(6) .
K2 O33F 2.87(3) 3_465
K2 O22F 3.21(3) 3_466
K2 N5 3.21(4) .
K2 N2 2.75(4) 3_466
K2 O18E 2.703(19) .
K1 O2F 3.02(3) 1_556
K1 O13F 2.84(3) .
K1 O17F 3.00(2) .
K1 N11 2.860(12) .
O20E C24E 1.43(5) .
O20E C27E 1.46(3) .
O25E C33E 1.41(5) .
O25E C30E 1.32(3) .
C34E O27E 1.41(5) .
C34E C33E 1.43(6) .
C34E C35E 1.45(6) .
O11E C13E 1.37(5) .
O28E C35E 1.41(5) .
O26E C31E 1.33(5) .
C24E C23E 1.54(5) .
C24E O19E 1.39(5) .
K3 O27F 2.73(3) .
K3 O27F 2.73(3) 2_775
K3 O23F 2.70(3) .
K3 O23F 2.70(3) 2_775
O35F C42F 1.45(5) .
O35F C45F 1.40(3) .
O5F C6F 1.51(5) .
O5F C9F 1.41(3) .
O10F C15F 1.44(5) .
O10F C12F 1.32(4) .
O40F C3F 1.31(5) .
O40F C48F 1.35(3) .
O2F C4F 1.46(5) .
O12F C16F 1.43(5) .
O3F C5F 1.32(5) .
C16F C15F 1.49(6) .
C16F C17F 1.49(6) .
C3F C4F 1.59(6) .
C3F C2F 1.48(6) .
C15F C14F 1.51(6) .
C15 N15 1.27(7) .
C15 Se29 2.21(6) .
C15 Se21 2.17(6) .
N22 C22 1.12(7) .
C20 N20 1.23(7) .
C20 Se26 2.22(5) .
C20 Se17 2.30(6) .
C14 N14 1.18(5) .
C6F C5F 1.47(6) .
C6F O4F 1.47(5) .
O31E C37E 1.41(5) .
C4F C5F 1.50(6) .
C22 Se31 2.25(6) .
C22 Se19 2.28(6) .
O30F C39F 1.42(5) .
O30F C36F 1.42(5) .
O13F C17F 1.46(5) .
O15F C18F 1.45(5) .
O15F C21F 1.40(3) .
O33F C41F 1.42(5) .
O32F C40F 1.42(5) .
O34F C42F 1.44(5) .
O34F C38F 1.46(5) .
O14F C14F 1.32(5) .
O14F C18F 1.41(5) .
C39F C40F 1.57(6) .
C39F C38F 1.58(6) .
C42F C41F 1.46(6) .
O4F C2F 1.48(5) .
C14F C13F 1.53(6) .
C18F C17F 1.44(6) .
C40F C41F 1.51(6) .
N18 C18 1.16(7) .
N13 C13 1.07(5) .
O11F C13F 1.38(5) .
C2F C1F 1.57(6) .
O27F C34F 1.42(5) .
O29F C36F 1.39(5) .
O29F C32F 1.43(5) .
O28F C35F 1.44(5) .
O25F C33F 1.38(5) .
O25F C30F 1.46(5) .
O20F C27F 1.50(5) .
O20F C24F 1.29(3) .
C33F C34F 1.58(6) .
C33F C32F 1.52(6) .
O22F C28F 1.41(5) .
C36F C35F 1.55(6) .
C28F C27F 1.57(6) .
C28F C29F 1.54(6) .
C34F C35F 1.44(5) .
O23F C29F 1.44(5) .
O31F C37F 1.40(5) .
C32F C31F 1.49(6) .
C37F C38F 1.51(6) .
C26F C27F 1.59(6) .
C26F C25F 1.39(6) .
C26F O24F 1.35(5) .
C25F O21F 1.52(5) .
C29F C30F 1.52(6) .
O24F C30F 1.40(5) .
O26F C31F 1.42(5) .
O1F C1F 1.40(5) .
C18 Se27 2.23(6) .
C18 Se23 2.43(6) .
C1 N1 1.13(6) .
C3 N3 1.12(6) .
C4 N4 1.12(5) .
C5 N5 1.18(5) .
C2 N2 1.17(5) .
C6 N6 1.11(5) .
Re11 Re7 2.627(7) .
Re11 Se11 2.574(9) .
Re11 Re12 2.658(9) .
Re11 Re9 2.582(8) .
Re11 Re10 2.614(6) .
Re11 Se10 2.549(10) .
Re11 Se12 2.507(9) .
Re11 Se9 2.465(9) .
Re11 C11 2.135(5) .
Re7 Se11 2.519(9) .
Re7 Re12 2.615(9) .
Re7 Re9 2.644(8) .
Re7 Se12 2.536(10) .
Re7 Re8 2.623(6) .
Re7 Se14 2.503(10) .
Re7 Se13 2.542(9) .
Re7 C7 2.121(5) .
C16 N16 1.1535 .
C16 Re16 2.1068 .
Re16 Se31 2.5335 .
Re16 Re21 2.6350 .
Re16 Se19 2.5301 .
Re16 Re17 2.6359 .
Re16 Se29 2.5332 .
Re16 Se21 2.5289 .
Se31 Re21 2.5316 .
Re21 Se19 2.5297 .
Re21 Se26 2.5337 .
Re21 Re19 2.6345 .
Re21 C21 2.1075 .
Re21 Se17 2.5307 .
Re17 Se27 2.5321 .
Re17 Se29 2.5356 .
Re17 Re19 2.6341 .
Re17 Se23 2.5284 .
Re17 C17 2.1071 .
Re17 Se21 2.5308 .
Se26 Re19 2.5331 .
Se27 Re19 2.5342 .
Re19 Se17 2.5306 .
Re19 C19 2.1074 .
Re19 Se23 2.5294 .
C21 N21 1.1549 .
C19 N19 1.1533 .
C17 N17 1.1539 .
C27E C28E 1.5088 .
C27E C26E 1.5589 .
C28E O22E 1.4455 .
C28E C29E 1.5094 .
C26E O24E 1.4672 .
C26E C25E 1.4822 .
C29E O23E 1.3136 .
C29E C30E 1.5592 .
O24E C30E 1.4201 .
C25E O21E 1.4417 .
C21E C22E 1.5089 .
C21E C20E 1.5589 .
C22E O17E 1.4453 .
C22E C23E 1.5079 .
C20E O19E 1.4660 .
C20E C19E 1.4817 .
C23E O18E 1.3147 .
C19E O16E 1.4410 .
C3E C4E 1.5085 .
C3E C2E 1.5592 .
C4E O2E 1.4464 .
C4E C5E 1.5087 .
C2E O4E 1.4665 .
C2E C1E 1.4815 .
C5E O3E 1.3140 .
C5E C6E 1.5593 .
O4E C6E 1.4215 .
C1E O1E 1.4416 .
C45F C46F 1.5074 .
C45F C44F 1.5598 .
C46F O37F 1.4467 .
C46F C47F 1.5090 .
C44F O39F 1.4662 .
C44F C43F 1.4825 .
C47F O38F 1.3139 .
C47F C48F 1.5584 .
O39F C48F 1.4215 .
C43F O36F 1.4409 .
C9F C10F 1.5090 .
C9F C8F 1.5589 .
C10F O7F 1.4459 .
C10F C11F 1.5087 .
C8F O9F 1.4662 .
C8F C7F 1.4822 .
C11F O8F 1.3138 .
C11F C12F 1.5599 .
O9F C12F 1.4213 .
C7F O6F 1.4408 .
C21F C22F 1.5082 .
C21F C20F 1.5595 .
C22F O17F 1.4452 .
C22F C23F 1.5090 .
C20F O19F 1.4662 .
C20F C19F 1.4812 .
C23F O18F 1.3148 .
C23F C24F 1.5586 .
O19F C24F 1.4221 .
C19F O16F 1.4423 .
Se11 Re12 2.5244 .
Re12 Re10 2.6354 .
Re12 Se10 2.5207 .
Re12 Re8 2.6304 .
Re12 Se14 2.5254 .
Re12 Se15 2.5201 .
Re12 C12 2.0988 .
Re9 Re10 2.6247 .
Re9 Se12 2.5198 .
Re9 Se9 2.5160 .
Re9 Re8 2.6344 .
Re9 Se13 2.5192 .
Re9 Se16 2.5122 .
Re9 C9 2.1104 .
Re10 Se10 2.5323 .
Re10 Se9 2.5194 .
Re10 Re8 2.6323 .
Re10 Se15 2.5177 .
Re10 Se16 2.5334 .
Re10 C10 2.1137 .
C11 N11 1.1338 .
Re8 Se14 2.5224 .
Re8 Se15 2.5343 .
Re8 Se13 2.5255 .
Re8 Se16 2.5128 .
Re8 C8 2.1100 .
C12 N12 1.1502 .
C7 N7 1.1360 .
C9 N9 1.1454 .
C10 N10 1.1420 .
C8 N8 1.1266 .
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
1 0.000 0.000 0.070 165.2 18.6
2 0.149 0.391 -0.907 1266.4 454.1
3 0.000 0.500 0.553 10.1 7.5
4 -0.149 0.609 -0.021 1266.4 463.4
5 0.351 -0.109 -0.482 1266.4 442.9
6 0.500 0.500 -0.070 165.2 20.2
7 0.649 0.109 -0.621 1266.4 469.5
8 0.500 0.000 0.447 10.1 8.0
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.806(18)
2 0.194(18)
