#------------------------------------------------------------------------------
#$Date: 2024-02-04 14:14:08 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289556 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/45/7714590.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_7714590
loop_
_publ_author_name
'Yeganeh-Salman, Amir'
'Yeung, Jason'
'Miao, Linkun'
'Stephan, Douglas W.'
_publ_section_title
;
 Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1178
_journal_page_last               1189
_journal_paper_doi               10.1039/d3dt03660j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C32 H8 B2 F20'
_chemical_formula_sum            'C32 H8 B2 F20'
_chemical_formula_weight         794.00
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2023-03-10
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2023-11-27 deposited with the CCDC.	2023-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.685(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.3330(16)
_cell_length_b                   7.8538(5)
_cell_length_c                   21.0431(16)
_cell_measurement_reflns_used    6230
_cell_measurement_temperature    150.01
_cell_measurement_theta_max      22.70
_cell_measurement_theta_min      2.32
_cell_volume                     2903.2(4)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      150.01
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1441
_diffrn_reflns_av_unetI/netI     0.0960
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            42021
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         1.954
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.195
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_description       plate
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.330
_refine_diff_density_min         -0.386
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         5113
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0739P)²+0.9389P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1625
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3449
_reflns_number_total             5113
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03660j2.cif
_cod_data_source_block           mono_a
_cod_depositor_comments
'Adding full bibliography for 7714584--7714593.cif.'
_cod_database_code               7714590
_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   0.981
_shelx_estimated_absorpt_t_min   0.981
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00T(H00T)
2.b Secondary CH2 refined with riding coordinates:
 C00X(H00A,H00B)
2.c Aromatic/amide H refined with riding coordinates:
 C010(H010), C016(H016), C01C(H01C), C01E(H01E), C01G(H01G)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
F001 F 0.64214(12) 1.0387(2) 0.50108(11) 0.0314(5) Uani 1 1 d . . . . .
F002 F 0.71777(12) 0.9058(2) 0.41330(10) 0.0324(5) Uani 1 1 d . . . . .
F003 F 0.67701(12) 0.8127(3) 0.65168(11) 0.0329(5) Uani 1 1 d . . . . .
F004 F 0.84789(12) 0.8728(3) 0.54554(11) 0.0322(5) Uani 1 1 d . . . . .
F005 F 0.49567(13) 1.1013(3) 0.42456(11) 0.0353(5) Uani 1 1 d . . . . .
F006 F 0.59003(12) 0.4448(2) 0.47405(12) 0.0357(6) Uani 1 1 d . . . . .
F007 F 0.86293(13) 0.7311(2) 0.41069(12) 0.0361(6) Uani 1 1 d . . . . .
F008 F 0.80657(13) 0.1936(2) 0.47580(11) 0.0364(6) Uani 1 1 d . . . . .
F009 F 0.55121(13) 0.4324(3) 0.22354(11) 0.0386(6) Uani 1 1 d . . . . .
F00A F 0.39449(12) 0.8400(3) 0.37606(11) 0.0391(6) Uani 1 1 d . . . . .
F00B F 0.60576(14) 1.0064(3) 0.29113(12) 0.0405(6) Uani 1 1 d . . . . .
F00C F 0.66595(13) 0.3330(2) 0.34430(11) 0.0385(6) Uani 1 1 d . . . . .
F00D F 0.44367(13) 0.5132(3) 0.40018(12) 0.0401(6) Uani 1 1 d . . . . .
F00E F 0.92348(14) 0.0558(3) 0.45476(13) 0.0450(6) Uani 1 1 d . . . . .
F00F F 0.52098(14) 0.7705(3) 0.19663(11) 0.0428(6) Uani 1 1 d . . . . .
F00G F 0.93697(13) 1.0763(3) 0.65178(13) 0.0459(6) Uani 1 1 d . . . . .
F00H F 0.76837(15) 1.0049(3) 0.75978(11) 0.0447(6) Uani 1 1 d . . . . .
F00I F 0.98049(14) 0.5943(3) 0.39026(13) 0.0485(7) Uani 1 1 d . . . . .
F00J F 0.89932(15) 1.1361(3) 0.76054(12) 0.0498(7) Uani 1 1 d . . . . .
F00K F 1.00988(14) 0.2559(3) 0.41094(14) 0.0522(7) Uani 1 1 d . . . . .
C00L C 0.8269(2) 0.9053(4) 0.59792(18) 0.0255(8) Uani 1 1 d . . . . .
C00M C 0.7599(2) 0.8353(4) 0.59498(18) 0.0220(8) Uani 1 1 d . . . . .
C00N C 0.6247(2) 0.7382(4) 0.49202(17) 0.0224(8) Uani 1 1 d . . . . .
C00O C 0.8312(2) 0.4670(4) 0.44434(18) 0.0229(8) Uani 1 1 d . . . . .
C00P C 0.5956(2) 0.9031(4) 0.47718(18) 0.0235(8) Uani 1 1 d . . . . .
C00Q C 0.6953(2) 0.6160(4) 0.38309(18) 0.0221(8) Uani 1 1 d . . . . .
C00R C 0.8498(2) 0.2953(4) 0.45536(18) 0.0241(8) Uani 1 1 d . . . . .
C00S C 0.8775(2) 0.5629(4) 0.42211(18) 0.0258(8) Uani 1 1 d . . . . .
C00T C 0.7547(2) 0.5458(4) 0.52451(18) 0.0220(8) Uani 1 1 d . . . . .
H00T H 0.718215 0.450398 0.518248 0.026 Uiso 1 1 calc R U . . .
C00U C 0.7416(2) 0.8766(4) 0.65033(18) 0.0241(8) Uani 1 1 d . . . . .
C00V C 0.4687(2) 0.8078(5) 0.41209(18) 0.0272(9) Uani 1 1 d . . . . .
C00W C 0.6771(2) 0.7857(4) 0.36646(18) 0.0240(8) Uani 1 1 d . . . . .
C00X C 0.8273(2) 0.4879(4) 0.58894(18) 0.0253(8) Uani 1 1 d . . . . .
H00A H 0.841637 0.372627 0.579643 0.030 Uiso 1 1 calc R U . . .
H00B H 0.869647 0.565882 0.594265 0.030 Uiso 1 1 calc R U . . .
C00Y C 0.5928(2) 0.5503(5) 0.27056(18) 0.0268(9) Uani 1 1 d . . . . .
C00Z C 0.6510(2) 0.5012(4) 0.33205(18) 0.0248(8) Uani 1 1 d . . . . .
C010 C 0.8761(2) 0.5454(4) 0.71823(19) 0.0283(9) Uani 1 1 d . . . . .
H010 H 0.921867 0.586335 0.717276 0.034 Uiso 1 1 calc R U . . .
C011 C 0.5201(2) 0.9393(4) 0.43748(18) 0.0263(9) Uani 1 1 d . . . . .
C012 C 0.6205(2) 0.8397(4) 0.30501(19) 0.0263(8) Uani 1 1 d . . . . .
C013 C 0.5776(2) 0.7206(5) 0.25658(18) 0.0269(8) Uani 1 1 d . . . . .
C014 C 0.8186(2) 0.4840(4) 0.65695(18) 0.0225(8) Uani 1 1 d . . . . .
C015 C 0.7872(2) 0.9743(4) 0.70608(19) 0.0295(9) Uani 1 1 d . . . . .
C016 C 0.7530(2) 0.4206(4) 0.66058(19) 0.0283(9) Uani 1 1 d . . . . .
H016 H 0.713262 0.375616 0.619710 0.034 Uiso 1 1 calc R U . . .
C017 C 0.5704(2) 0.6102(4) 0.46355(18) 0.0259(8) Uani 1 1 d . . . . .
C018 C 0.9371(2) 0.4953(5) 0.41151(19) 0.0317(9) Uani 1 1 d . . . . .
C019 C 0.8732(2) 1.0090(4) 0.6519(2) 0.0318(9) Uani 1 1 d . . . . .
C01A C 0.4936(2) 0.6425(5) 0.42481(19) 0.0282(8) Uani 1 1 d . . . . .
C01B C 0.9087(2) 0.2235(4) 0.44432(19) 0.0306(9) Uani 1 1 d . . . . .
C01C C 0.7449(2) 0.4223(5) 0.7233(2) 0.0329(9) Uani 1 1 d . . . . .
H01C H 0.699848 0.378872 0.725046 0.039 Uiso 1 1 calc R U . . .
C01D C 0.8535(2) 1.0407(4) 0.7069(2) 0.0333(10) Uani 1 1 d . . . . .
C01E C 0.8024(2) 0.4873(5) 0.7830(2) 0.0325(9) Uani 1 1 d . . . . .
H01E H 0.796739 0.489924 0.825743 0.039 Uiso 1 1 calc R U . . .
C01F C 0.9525(2) 0.3234(5) 0.4222(2) 0.0335(9) Uani 1 1 d . . . . .
C01G C 0.8681(2) 0.5483(5) 0.7804(2) 0.0331(9) Uani 1 1 d . . . . .
H01G H 0.907899 0.592443 0.821406 0.040 Uiso 1 1 calc R U . . .
B01H B 0.7618(2) 0.5491(5) 0.4529(2) 0.0218(9) Uani 1 1 d . . . . .
B01I B 0.7120(2) 0.7047(5) 0.5366(2) 0.0227(9) Uani 1 1 d . . . . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
F004 C00L C00M 118.9(3) . . ?
F004 C00L C019 118.1(3) . . ?
C019 C00L C00M 123.0(3) . . ?
C00L C00M C00U 115.5(3) . . ?
C00L C00M B01I 122.0(3) . . ?
C00U C00M B01I 122.3(3) . . ?
C00P C00N B01I 121.4(3) . . ?
C017 C00N C00P 114.3(3) . . ?
C017 C00N B01I 124.3(3) . . ?
C00R C00O C00S 115.1(3) . . ?
C00R C00O B01H 123.7(3) . . ?
C00S C00O B01H 121.2(3) . . ?
F001 C00P C00N 120.4(3) . . ?
F001 C00P C011 115.9(3) . . ?
C011 C00P C00N 123.7(3) . . ?
C00W C00Q C00Z 114.8(3) . . ?
C00W C00Q B01H 125.1(3) . . ?
C00Z C00Q B01H 120.1(3) . . ?
F008 C00R C00O 118.4(3) . . ?
F008 C00R C01B 118.6(3) . . ?
C01B C00R C00O 123.0(3) . . ?
F007 C00S C00O 118.2(3) . . ?
F007 C00S C018 118.6(3) . . ?
C018 C00S C00O 123.2(3) . . ?
C00X C00T H00T 103.1 . . ?
C00X C00T B01H 115.6(3) . . ?
C00X C00T B01I 115.7(3) . . ?
B01H C00T H00T 103.1 . . ?
B01H C00T B01I 113.8(3) . . ?
B01I C00T H00T 103.1 . . ?
F003 C00U C00M 119.3(3) . . ?
F003 C00U C015 117.2(3) . . ?
C015 C00U C00M 123.4(3) . . ?
F00A C00V C011 120.5(3) . . ?
F00A C00V C01A 119.8(3) . . ?
C01A C00V C011 119.7(3) . . ?
F002 C00W C00Q 118.5(3) . . ?
F002 C00W C012 117.7(3) . . ?
C012 C00W C00Q 123.8(3) . . ?
C00T C00X H00A 108.6 . . ?
C00T C00X H00B 108.6 . . ?
H00A C00X H00B 107.6 . . ?
C014 C00X C00T 114.5(3) . . ?
C014 C00X H00A 108.6 . . ?
C014 C00X H00B 108.6 . . ?
F009 C00Y C00Z 120.2(3) . . ?
F009 C00Y C013 120.2(3) . . ?
C00Z C00Y C013 119.6(3) . . ?
F00C C00Z C00Q 118.1(3) . . ?
F00C C00Z C00Y 118.8(3) . . ?
C00Y C00Z C00Q 123.1(3) . . ?
C014 C010 H010 119.2 . . ?
C01G C010 H010 119.2 . . ?
C01G C010 C014 121.5(4) . . ?
F005 C011 C00P 120.9(3) . . ?
F005 C011 C00V 119.7(3) . . ?
C00P C011 C00V 119.5(3) . . ?
F00B C012 C00W 121.4(3) . . ?
F00B C012 C013 119.5(3) . . ?
C00W C012 C013 119.1(3) . . ?
F00F C013 C00Y 120.3(3) . . ?
F00F C013 C012 120.1(3) . . ?
C00Y C013 C012 119.6(3) . . ?
C010 C014 C00X 120.7(3) . . ?
C010 C014 C016 117.8(3) . . ?
C016 C014 C00X 121.6(3) . . ?
F00H C015 C00U 121.1(4) . . ?
F00H C015 C01D 119.9(3) . . ?
C00U C015 C01D 119.0(3) . . ?
C014 C016 H016 119.6 . . ?
C01C C016 C014 120.9(4) . . ?
C01C C016 H016 119.6 . . ?
F006 C017 C00N 121.0(3) . . ?
F006 C017 C01A 115.6(3) . . ?
C01A C017 C00N 123.4(3) . . ?
F00I C018 C00S 120.8(3) . . ?
F00I C018 C01F 119.7(3) . . ?
C00S C018 C01F 119.5(3) . . ?
F00G C019 C00L 120.8(4) . . ?
F00G C019 C01D 120.3(3) . . ?
C00L C019 C01D 118.9(4) . . ?
F00D C01A C00V 120.0(3) . . ?
F00D C01A C017 120.6(3) . . ?
C00V C01A C017 119.4(3) . . ?
F00E C01B C00R 120.5(4) . . ?
F00E C01B C01F 119.8(3) . . ?
C01F C01B C00R 119.7(3) . . ?
C016 C01C H01C 120.0 . . ?
C01E C01C C016 120.0(4) . . ?
C01E C01C H01C 120.0 . . ?
F00J C01D C015 120.6(4) . . ?
F00J C01D C019 119.4(4) . . ?
C015 C01D C019 120.0(3) . . ?
C01C C01E H01E 120.1 . . ?
C01G C01E C01C 119.7(4) . . ?
C01G C01E H01E 120.1 . . ?
F00K C01F C018 119.8(4) . . ?
F00K C01F C01B 120.6(3) . . ?
C01B C01F C018 119.6(3) . . ?
C010 C01G C01E 120.1(4) . . ?
C010 C01G H01G 120.0 . . ?
C01E C01G H01G 120.0 . . ?
C00O B01H C00Q 115.6(3) . . ?
C00O B01H C00T 121.8(3) . . ?
C00T B01H C00Q 122.2(3) . . ?
C00M B01I C00N 119.5(3) . . ?
C00M B01I C00T 117.7(3) . . ?
C00N B01I C00T 122.7(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F001 C00P 1.349(4) . ?
F002 C00W 1.354(4) . ?
F003 C00U 1.357(4) . ?
F004 C00L 1.349(4) . ?
F005 C011 1.345(4) . ?
F006 C017 1.346(4) . ?
F007 C00S 1.351(4) . ?
F008 C00R 1.350(4) . ?
F009 C00Y 1.348(4) . ?
F00A C00V 1.337(4) . ?
F00B C012 1.345(4) . ?
F00C C00Z 1.354(4) . ?
F00D C01A 1.347(4) . ?
F00E C01B 1.347(4) . ?
F00F C013 1.338(4) . ?
F00G C019 1.342(4) . ?
F00H C015 1.345(4) . ?
F00I C018 1.350(4) . ?
F00J C01D 1.335(4) . ?
F00K C01F 1.337(4) . ?
C00L C00M 1.383(5) . ?
C00L C019 1.381(5) . ?
C00M C00U 1.390(5) . ?
C00M B01I 1.571(5) . ?
C00N C00P 1.395(5) . ?
C00N C017 1.395(5) . ?
C00N B01I 1.574(5) . ?
C00O C00R 1.390(5) . ?
C00O C00S 1.392(5) . ?
C00O B01H 1.565(5) . ?
C00P C011 1.374(5) . ?
C00Q C00W 1.386(5) . ?
C00Q C00Z 1.390(5) . ?
C00Q B01H 1.585(5) . ?
C00R C01B 1.374(5) . ?
C00S C018 1.368(5) . ?
C00T H00T 1.0000 . ?
C00T C00X 1.557(5) . ?
C00T B01H 1.569(5) . ?
C00T B01I 1.575(5) . ?
C00U C015 1.370(5) . ?
C00V C011 1.378(5) . ?
C00V C01A 1.372(5) . ?
C00W C012 1.367(5) . ?
C00X H00A 0.9900 . ?
C00X H00B 0.9900 . ?
C00X C014 1.509(5) . ?
C00Y C00Z 1.368(5) . ?
C00Y C013 1.374(5) . ?
C010 H010 0.9500 . ?
C010 C014 1.390(5) . ?
C010 C01G 1.379(5) . ?
C012 C013 1.377(5) . ?
C014 C016 1.395(5) . ?
C015 C01D 1.378(6) . ?
C016 H016 0.9500 . ?
C016 C01C 1.393(5) . ?
C017 C01A 1.385(5) . ?
C018 C01F 1.380(5) . ?
C019 C01D 1.384(6) . ?
C01B C01F 1.370(6) . ?
C01C H01C 0.9500 . ?
C01C C01E 1.381(6) . ?
C01E H01E 0.9500 . ?
C01E C01G 1.381(6) . ?
C01G H01G 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F001 C00P C011 F005 -0.6(5) . . . . ?
F001 C00P C011 C00V -178.9(3) . . . . ?
F002 C00W C012 F00B 0.3(5) . . . . ?
F002 C00W C012 C013 -179.4(3) . . . . ?
F003 C00U C015 F00H 0.1(5) . . . . ?
F003 C00U C015 C01D 179.6(3) . . . . ?
F004 C00L C00M C00U -179.1(3) . . . . ?
F004 C00L C00M B01I 6.2(5) . . . . ?
F004 C00L C019 F00G 0.5(5) . . . . ?
F004 C00L C019 C01D -178.5(3) . . . . ?
F006 C017 C01A F00D 0.1(5) . . . . ?
F006 C017 C01A C00V 179.6(3) . . . . ?
F007 C00S C018 F00I 0.2(5) . . . . ?
F007 C00S C018 C01F -179.4(3) . . . . ?
F008 C00R C01B F00E -1.0(5) . . . . ?
F008 C00R C01B C01F 178.7(3) . . . . ?
F009 C00Y C00Z F00C 0.4(5) . . . . ?
F009 C00Y C00Z C00Q -179.1(3) . . . . ?
F009 C00Y C013 F00F 0.8(5) . . . . ?
F009 C00Y C013 C012 180.0(3) . . . . ?
F00A C00V C011 F005 -1.5(5) . . . . ?
F00A C00V C011 C00P 176.9(3) . . . . ?
F00A C00V C01A F00D 1.0(5) . . . . ?
F00A C00V C01A C017 -178.5(3) . . . . ?
F00B C012 C013 F00F -1.0(5) . . . . ?
F00B C012 C013 C00Y 179.8(3) . . . . ?
F00E C01B C01F F00K -0.1(5) . . . . ?
F00E C01B C01F C018 179.9(3) . . . . ?
F00G C019 C01D F00J -1.3(5) . . . . ?
F00G C019 C01D C015 178.6(3) . . . . ?
F00H C015 C01D F00J -0.3(5) . . . . ?
F00H C015 C01D C019 179.8(3) . . . . ?
F00I C018 C01F F00K -0.5(5) . . . . ?
F00I C018 C01F C01B 179.5(3) . . . . ?
C00L C00M C00U F003 -179.7(3) . . . . ?
C00L C00M C00U C015 -2.5(5) . . . . ?
C00L C00M B01I C00N -127.6(3) . . . . ?
C00L C00M B01I C00T 51.4(5) . . . . ?
C00L C019 C01D F00J 177.7(3) . . . . ?
C00L C019 C01D C015 -2.4(5) . . . . ?
C00M C00L C019 F00G -178.8(3) . . . . ?
C00M C00L C019 C01D 2.1(5) . . . . ?
C00M C00U C015 F00H -177.2(3) . . . . ?
C00M C00U C015 C01D 2.3(5) . . . . ?
C00N C00P C011 F005 -179.5(3) . . . . ?
C00N C00P C011 C00V 2.2(5) . . . . ?
C00N C017 C01A F00D -178.3(3) . . . . ?
C00N C017 C01A C00V 1.2(6) . . . . ?
C00O C00R C01B F00E -178.9(3) . . . . ?
C00O C00R C01B C01F 0.8(6) . . . . ?
C00O C00S C018 F00I -179.6(3) . . . . ?
C00O C00S C018 C01F 0.8(6) . . . . ?
C00P C00N C017 F006 -179.4(3) . . . . ?
C00P C00N C017 C01A -1.1(5) . . . . ?
C00P C00N B01I C00M 31.1(5) . . . . ?
C00P C00N B01I C00T -147.8(3) . . . . ?
C00Q C00W C012 F00B -179.2(3) . . . . ?
C00Q C00W C012 C013 1.1(6) . . . . ?
C00R C00O C00S F007 -179.7(3) . . . . ?
C00R C00O C00S C018 0.1(5) . . . . ?
C00R C00O B01H C00Q -112.7(4) . . . . ?
C00R C00O B01H C00T 60.5(5) . . . . ?
C00R C01B C01F F00K -179.8(3) . . . . ?
C00R C01B C01F C018 0.2(6) . . . . ?
C00S C00O C00R F008 -178.8(3) . . . . ?
C00S C00O C00R C01B -0.9(5) . . . . ?
C00S C00O B01H C00Q 64.8(4) . . . . ?
C00S C00O B01H C00T -122.0(4) . . . . ?
C00S C018 C01F F00K 179.0(3) . . . . ?
C00S C018 C01F C01B -1.0(6) . . . . ?
C00T C00X C014 C010 -137.3(3) . . . . ?
C00T C00X C014 C016 42.1(4) . . . . ?
C00U C00M B01I C00N 58.1(4) . . . . ?
C00U C00M B01I C00T -122.9(4) . . . . ?
C00U C015 C01D F00J -179.9(3) . . . . ?
C00U C015 C01D C019 0.3(5) . . . . ?
C00W C00Q C00Z F00C 179.3(3) . . . . ?
C00W C00Q C00Z C00Y -1.2(5) . . . . ?
C00W C00Q B01H C00O -110.5(4) . . . . ?
C00W C00Q B01H C00T 76.4(5) . . . . ?
C00W C012 C013 F00F 178.7(3) . . . . ?
C00W C012 C013 C00Y -0.5(5) . . . . ?
C00X C00T B01H C00O 11.2(5) . . . . ?
C00X C00T B01H C00Q -176.0(3) . . . . ?
C00X C00T B01I C00M 26.3(4) . . . . ?
C00X C00T B01I C00N -154.7(3) . . . . ?
C00X C014 C016 C01C -178.1(3) . . . . ?
C00Z C00Q C00W F002 -179.8(3) . . . . ?
C00Z C00Q C00W C012 -0.3(5) . . . . ?
C00Z C00Q B01H C00O 68.1(4) . . . . ?
C00Z C00Q B01H C00T -105.1(4) . . . . ?
C00Z C00Y C013 F00F 179.9(3) . . . . ?
C00Z C00Y C013 C012 -0.9(5) . . . . ?
C010 C014 C016 C01C 1.3(5) . . . . ?
C011 C00V C01A F00D 180.0(3) . . . . ?
C011 C00V C01A C017 0.5(5) . . . . ?
C013 C00Y C00Z F00C -178.8(3) . . . . ?
C013 C00Y C00Z C00Q 1.7(6) . . . . ?
C014 C010 C01G C01E 0.9(6) . . . . ?
C014 C016 C01C C01E -0.1(6) . . . . ?
C016 C01C C01E C01G -0.8(6) . . . . ?
C017 C00N C00P F001 -179.4(3) . . . . ?
C017 C00N C00P C011 -0.5(5) . . . . ?
C017 C00N B01I C00M -149.7(3) . . . . ?
C017 C00N B01I C00T 31.4(5) . . . . ?
C019 C00L C00M C00U 0.2(5) . . . . ?
C019 C00L C00M B01I -174.4(3) . . . . ?
C01A C00V C011 F005 179.5(3) . . . . ?
C01A C00V C011 C00P -2.1(5) . . . . ?
C01C C01E C01G C010 0.4(6) . . . . ?
C01G C010 C014 C00X 177.7(3) . . . . ?
C01G C010 C014 C016 -1.7(5) . . . . ?
B01H C00O C00R F008 -1.2(5) . . . . ?
B01H C00O C00R C01B 176.7(3) . . . . ?
B01H C00O C00S F007 2.6(5) . . . . ?
B01H C00O C00S C018 -177.6(3) . . . . ?
B01H C00Q C00W F002 -1.2(5) . . . . ?
B01H C00Q C00W C012 178.3(3) . . . . ?
B01H C00Q C00Z F00C 0.7(5) . . . . ?
B01H C00Q C00Z C00Y -179.8(3) . . . . ?
B01H C00T C00X C014 -179.3(3) . . . . ?
B01H C00T B01I C00M -111.2(3) . . . . ?
B01H C00T B01I C00N 67.8(4) . . . . ?
B01I C00M C00U F003 -5.1(5) . . . . ?
B01I C00M C00U C015 172.1(3) . . . . ?
B01I C00N C00P F001 -0.1(5) . . . . ?
B01I C00N C00P C011 178.7(3) . . . . ?
B01I C00N C017 F006 1.3(5) . . . . ?
B01I C00N C017 C01A 179.6(3) . . . . ?
B01I C00T C00X C014 43.9(4) . . . . ?
B01I C00T B01H C00O 148.8(3) . . . . ?
B01I C00T B01H C00Q -38.5(5) . . . . ?
