# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_RS129_2_0m
_database_code_depnum_ccdc_archive 'CCDC 2011364'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H12 B F24, C10 H8 S8'
_chemical_formula_sum            'C42 H20 B F24 S8'
_chemical_formula_weight         1247.87

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   10.1692(3)
_cell_length_b                   22.6293(6)
_cell_length_c                   20.9402(6)
_cell_angle_alpha                90
_cell_angle_beta                 91.6312(13)
_cell_angle_gamma                90
_cell_volume                     4816.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9167
_cell_measurement_theta_min      2.8757
_cell_measurement_theta_max      79.3153

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_F_000             2484
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    4.612
_shelx_estimated_absorpt_T_min   0.545
_shelx_estimated_absorpt_T_max   0.955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4718
_exptl_absorpt_correction_T_max  0.7543
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'I-mu-S microsource X-ray tube'
_diffrn_source_current           '1.0 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'laterally graded multilayer (Goebel) mirror'
_diffrn_measurement_device_type  
;
Bruker AXS D8 Quest CMOS diffractometer with PhotonII charge-integrating pixel 
array detector (CPAD)
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean 7.4074
_diffrn_reflns_number            30941
_diffrn_reflns_av_unetI/netI     0.0422
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.876
_diffrn_reflns_theta_max         80.516
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.933
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             9829
_reflns_number_gt                8435
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 v2018.7-2 (Bruker, 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev946 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
The ethylene groups of the sulfur compound are disordered by inversion 
at carbon. The major and Minor moieties were restrained to have similar 
geometries. Uij components of ADPs for disordered atoms closer to each 
other than 2.0 Angstrom were restrained to be similar. Subject to these 
conditions the occupancy ratio refined to 0.813(9) to 0.813(9) (C4/C5) 
and 0.584(7) to 0.416(7) (C9/C10). 

Three of the CF3 groups are rotationally disordered. They were restrained 
to have similar geometries as another well defined CF3 moiety. F18 and F18B 
were constrained to share a common ADP. Uij components of ADPs for 
disordered atoms closer to each other than 2.0 Angstrom were restrained 
to be similar. Subject to these conditions the occupancy ratio refined to 
0.694(10) to 0.306(10) (C26), 0.354(10) to 0.646(10) (C33), and 0.878(4) 
to 0.122(4) (C34). 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0549P)²+1.9698P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9829
_refine_ls_number_parameters     819
_refine_ls_number_restraints     664
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.1146
_refine_ls_wR_factor_gt          0.1103
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
S1 S 0.21638(5) 0.54306(2) 0.49454(2) 0.02918(11) Uani 1 1 d . . . . .
S2 S 0.39330(6) 0.59336(2) 0.40265(2) 0.03525(13) Uani 1 1 d . . . . .
S5 S 0.35079(5) 0.41522(2) 0.47648(2) 0.03139(12) Uani 1 1 d . . . . .
S6 S 0.53690(5) 0.46761(2) 0.38945(2) 0.03309(12) Uani 1 1 d . . . . .
C17 C 0.9788(2) 0.51179(9) 0.36156(10) 0.0329(4) Uani 1 1 d D . . . .
F1 F 0.90665(15) 0.54444(7) 0.40108(6) 0.0462(3) Uani 1 1 d D . . . .
F2 F 1.01789(16) 0.46438(6) 0.39509(7) 0.0493(4) Uani 1 1 d D . . . .
F3 F 1.08687(14) 0.54417(7) 0.35100(7) 0.0492(4) Uani 1 1 d D . . . .
C18 C 0.8534(2) 0.36927(9) 0.18858(10) 0.0313(4) Uani 1 1 d . . . . .
F4 F 0.7846(2) 0.33007(7) 0.22115(9) 0.0674(5) Uani 1 1 d . . . . .
F5 F 0.97589(14) 0.34783(7) 0.18660(8) 0.0550(4) Uani 1 1 d . . . . .
F6 F 0.80734(15) 0.36637(6) 0.12864(7) 0.0493(4) Uani 1 1 d . . . . .
C25 C 0.3028(2) 0.43262(10) 0.24673(11) 0.0372(5) Uani 1 1 d . . . . .
F7 F 0.25051(17) 0.43318(7) 0.30514(8) 0.0583(4) Uani 1 1 d . . . . .
F8 F 0.40248(15) 0.39496(6) 0.25058(9) 0.0552(4) Uani 1 1 d . . . . .
F9 F 0.21071(17) 0.40904(7) 0.20818(8) 0.0589(5) Uani 1 1 d . . . . .
C26 C 0.1793(7) 0.6385(4) 0.1937(3) 0.0518(15) Uani 0.694(10) 1 d D U P A 1
F10 F 0.0566(3) 0.61912(16) 0.1947(4) 0.0851(18) Uani 0.694(10) 1 d D U P A 1
F11 F 0.1952(9) 0.6823(3) 0.2349(4) 0.088(2) Uani 0.694(10) 1 d D U P A 1
F12 F 0.1870(5) 0.6656(2) 0.1367(2) 0.0730(12) Uani 0.694(10) 1 d D U P A 1
C26B C 0.1767(15) 0.6438(9) 0.2045(7) 0.057(3) Uani 0.306(10) 1 d D U P A 2
F10B F 0.0780(9) 0.6341(4) 0.2426(7) 0.082(3) Uani 0.306(10) 1 d D U P A 2
F11B F 0.2212(17) 0.6947(7) 0.2269(9) 0.064(3) Uani 0.306(10) 1 d D U P A 2
F12B F 0.1312(13) 0.6530(5) 0.1463(5) 0.080(3) Uani 0.306(10) 1 d D U P A 2
C33 C 0.6719(14) 0.7429(7) 0.3516(10) 0.056(3) Uani 0.354(10) 1 d D U P B 1
F13 F 0.6403(14) 0.6986(3) 0.3891(4) 0.077(3) Uani 0.354(10) 1 d D U P B 1
F14 F 0.5637(8) 0.7764(5) 0.3477(4) 0.086(2) Uani 0.354(10) 1 d D U P B 1
F15 F 0.7672(15) 0.7737(7) 0.3815(9) 0.061(3) Uani 0.354(10) 1 d D U P B 1
C33B C 0.6847(7) 0.7343(4) 0.3579(5) 0.0494(15) Uani 0.646(10) 1 d D U P B 2
F13B F 0.7233(7) 0.69139(18) 0.39895(16) 0.0719(13) Uani 0.646(10) 1 d D U P B
2
F14B F 0.5586(4) 0.7408(4) 0.3667(2) 0.0861(18) Uani 0.646(10) 1 d D U P B 2
F15B F 0.7411(10) 0.7838(4) 0.3784(6) 0.082(2) Uani 0.646(10) 1 d D U P B 2
C34 C 0.8983(3) 0.77981(13) 0.14974(15) 0.0340(6) Uani 0.878(4) 1 d D U P C 1
F16 F 0.8467(2) 0.83253(8) 0.14074(14) 0.0719(8) Uani 0.878(4) 1 d D U P C 1
F17 F 1.0177(2) 0.78922(13) 0.17462(14) 0.0745(8) Uani 0.878(4) 1 d D U P C 1
F18 F 0.9160(3) 0.75779(10) 0.09208(10) 0.0753(8) Uani 0.878(4) 1 d D U P C 1
C34B C 0.8844(19) 0.7765(9) 0.1555(10) 0.056(4) Uani 0.122(4) 1 d D U P C 2
F16B F 0.8362(17) 0.7880(8) 0.0967(7) 0.065(4) Uani 0.122(4) 1 d D U P C 2
F17B F 0.908(2) 0.8309(7) 0.1780(8) 0.0753(8) Uani 0.122(4) 1 d D U P C 2
F18B F 1.0072(13) 0.7606(7) 0.1415(8) 0.053(3) Uani 0.122(4) 1 d D U P C 2
C41 C 0.4637(3) 0.60373(11) -0.04714(12) 0.0482(6) Uani 1 1 d . . . . .
F19 F 0.36718(18) 0.56589(8) -0.03629(8) 0.0667(5) Uani 1 1 d . . . . .
F20 F 0.4153(2) 0.65745(8) -0.03687(9) 0.0744(6) Uani 1 1 d . . . . .
F21 F 0.4852(2) 0.60115(9) -0.10944(7) 0.0738(6) Uani 1 1 d . . . . .
C42 C 0.9496(3) 0.58604(11) -0.01846(13) 0.0477(6) Uani 1 1 d . . . . .
F22 F 0.9843(2) 0.64277(7) -0.02886(10) 0.0765(6) Uani 1 1 d . . . . .
F23 F 0.9586(2) 0.55878(8) -0.07476(8) 0.0685(5) Uani 1 1 d . . . . .
F24 F 1.04382(17) 0.56353(9) 0.01912(9) 0.0655(5) Uani 1 1 d . . . . .
C1 C 0.3479(2) 0.53249(9) 0.44596(9) 0.0289(4) Uani 1 1 d . . . . .
C2 C 0.1932(2) 0.61713(9) 0.47596(10) 0.0357(5) Uani 1 1 d . . . . .
C3 C 0.2780(2) 0.64069(10) 0.43361(11) 0.0376(5) Uani 1 1 d . . . . .
S3 S 0.06225(8) 0.65118(3) 0.51258(3) 0.05018(17) Uani 0.813(9) 1 d D U P D 1
C4 C 0.0360(5) 0.7188(2) 0.4677(2) 0.0624(12) Uani 0.813(9) 1 d D U P D 1
H4A H -0.059664 0.726664 0.464238 0.075 Uiso 0.813(9) 1 calc R U P D 1
H4B H 0.077236 0.751877 0.491845 0.075 Uiso 0.813(9) 1 calc R U P D 1
C5 C 0.0906(4) 0.7180(2) 0.4008(2) 0.0624(12) Uani 0.813(9) 1 d D U P D 1
H5A H 0.063883 0.754617 0.378023 0.075 Uiso 0.813(9) 1 calc R U P D 1
H5B H 0.053282 0.683991 0.376794 0.075 Uiso 0.813(9) 1 calc R U P D 1
S4 S 0.27006(8) 0.71259(3) 0.40369(4) 0.05476(18) Uani 0.813(9) 1 d D U P D 1
S3B S 0.06225(8) 0.65118(3) 0.51258(3) 0.05018(17) Uani 0.187(9) 1 d D U P D 2
C4B C 0.0159(16) 0.6946(8) 0.4452(9) 0.057(2) Uani 0.187(9) 1 d D U P D 2
H4C H -0.004909 0.667590 0.409128 0.069 Uiso 0.187(9) 1 calc R U P D 2
H4D H -0.066116 0.715927 0.455043 0.069 Uiso 0.187(9) 1 calc R U P D 2
C5B C 0.1137(15) 0.7390(7) 0.4232(11) 0.062(2) Uani 0.187(9) 1 d D U P D 2
H5C H 0.125550 0.769077 0.457173 0.075 Uiso 0.187(9) 1 calc R U P D 2
H5D H 0.075393 0.759261 0.385138 0.075 Uiso 0.187(9) 1 calc R U P D 2
S4B S 0.27006(8) 0.71259(3) 0.40369(4) 0.05476(18) Uani 0.187(9) 1 d D U P D 2
C6 C 0.4083(2) 0.47811(9) 0.43981(9) 0.0301(4) Uani 1 1 d . . . . .
C7 C 0.4612(2) 0.36700(9) 0.44133(10) 0.0335(4) Uani 1 1 d . . . . .
C8 C 0.5473(2) 0.39166(10) 0.40086(10) 0.0358(5) Uani 1 1 d . . . . .
S7 S 0.44634(7) 0.29327(3) 0.46403(3) 0.04753(16) Uani 0.584(7) 1 d D U P E 1
C9 C 0.5766(8) 0.2600(3) 0.4189(3) 0.0579(15) Uani 0.584(7) 1 d D U P E 1
H9A H 0.660360 0.264704 0.443659 0.070 Uiso 0.584(7) 1 calc R U P E 1
H9AB H 0.558797 0.217136 0.415171 0.070 Uiso 0.584(7) 1 calc R U P E 1
C10 C 0.5953(6) 0.2848(2) 0.3519(2) 0.0580(13) Uani 0.584(7) 1 d D U P E 1
H10A H 0.509161 0.287191 0.328789 0.070 Uiso 0.584(7) 1 calc R U P E 1
H10B H 0.652934 0.258131 0.327714 0.070 Uiso 0.584(7) 1 calc R U P E 1
S8 S 0.66817(7) 0.35712(3) 0.35727(3) 0.05191(17) Uani 0.584(7) 1 d D U P E 1
S7B S 0.44634(7) 0.29327(3) 0.46403(3) 0.04753(16) Uani 0.416(7) 1 d D U P E 2
C9B C 0.5313(8) 0.2562(4) 0.4026(4) 0.0515(18) Uani 0.416(7) 1 d D U P E 2
H9BA H 0.537771 0.213539 0.412815 0.062 Uiso 0.416(7) 1 calc R U P E 2
H9BB H 0.481481 0.260408 0.361575 0.062 Uiso 0.416(7) 1 calc R U P E 2
C10B C 0.6695(7) 0.2819(3) 0.3961(4) 0.0560(16) Uani 0.416(7) 1 d D U P E 2
H10C H 0.722466 0.254548 0.370326 0.067 Uiso 0.416(7) 1 calc R U P E 2
H10D H 0.712331 0.284906 0.439015 0.067 Uiso 0.416(7) 1 calc R U P E 2
S8B S 0.66817(7) 0.35712(3) 0.35727(3) 0.05191(17) Uani 0.416(7) 1 d D U P E 2
C11 C 0.76269(19) 0.53109(8) 0.21295(9) 0.0244(4) Uani 1 1 d . . . . .
C12 C 0.83104(19) 0.54075(8) 0.27064(9) 0.0258(4) Uani 1 1 d . . . . .
H12 H 0.826906 0.578633 0.290015 0.031 Uiso 1 1 calc R U . . .
C13 C 0.9055(2) 0.49638(9) 0.30086(9) 0.0273(4) Uani 1 1 d . . . . .
C14 C 0.9144(2) 0.44063(9) 0.27489(9) 0.0286(4) Uani 1 1 d . . . . .
H14 H 0.963853 0.410389 0.295907 0.034 Uiso 1 1 calc R U . . .
C15 C 0.84830(19) 0.43006(8) 0.21676(9) 0.0262(4) Uani 1 1 d . . . . .
C16 C 0.77598(19) 0.47426(8) 0.18664(9) 0.0253(4) Uani 1 1 d . . . . .
H16 H 0.733622 0.465930 0.146626 0.030 Uiso 1 1 calc R U . . .
C19 C 0.51173(19) 0.56410(8) 0.19843(9) 0.0259(4) Uani 1 1 d . . . . .
C20 C 0.4716(2) 0.50705(8) 0.21599(9) 0.0268(4) Uani 1 1 d . . . . .
H20 H 0.535812 0.476769 0.220619 0.032 Uiso 1 1 calc R U . . .
C21 C 0.3410(2) 0.49367(9) 0.22676(10) 0.0308(4) Uani 1 1 d . . . . .
C22 C 0.2430(2) 0.53582(10) 0.21991(11) 0.0371(5) Uani 1 1 d . . . . .
H22 H 0.153313 0.526040 0.225900 0.044 Uiso 1 1 calc R U . . .
C23 C 0.2799(2) 0.59251(10) 0.20410(12) 0.0383(5) Uani 1 1 d . . . . .
C24 C 0.4114(2) 0.60623(9) 0.19398(11) 0.0331(4) Uani 1 1 d . . . . .
H24 H 0.433711 0.645800 0.183651 0.040 Uiso 1 1 calc R U . . .
C27 C 0.70211(19) 0.64640(8) 0.20404(9) 0.0253(4) Uani 1 1 d . . . . .
C28 C 0.6717(2) 0.66601(9) 0.26494(10) 0.0306(4) Uani 1 1 d . . . . .
H28 H 0.619839 0.641416 0.291028 0.037 Uiso 1 1 calc R U . . .
C29 C 0.7145(2) 0.72046(10) 0.28909(11) 0.0349(5) Uani 1 1 d . . . . .
C30 C 0.7878(2) 0.75833(9) 0.25235(11) 0.0344(5) Uani 1 1 d . . . . .
H30 H 0.817046 0.795415 0.268579 0.041 Uiso 1 1 calc R U . . .
C31 C 0.8171(2) 0.74039(8) 0.19109(10) 0.0289(4) Uani 1 1 d . . . . .
C32 C 0.77507(19) 0.68574(8) 0.16768(9) 0.0265(4) Uani 1 1 d . . . . .
H32 H 0.796754 0.674802 0.125459 0.032 Uiso 1 1 calc R U . . .
C35 C 0.6765(2) 0.57778(8) 0.10141(9) 0.0267(4) Uani 1 1 d . . . . .
C36 C 0.5689(2) 0.58577(9) 0.05930(10) 0.0319(4) Uani 1 1 d . . . . .
H36 H 0.482891 0.586803 0.075773 0.038 Uiso 1 1 calc R U . . .
C37 C 0.5845(3) 0.59230(9) -0.00651(10) 0.0377(5) Uani 1 1 d . . . . .
C38 C 0.7072(3) 0.59107(10) -0.03240(10) 0.0414(6) Uani 1 1 d . . . . .
H38 H 0.717438 0.596089 -0.077030 0.050 Uiso 1 1 calc R U . . .
C39 C 0.8161(3) 0.58230(9) 0.00828(10) 0.0362(5) Uani 1 1 d . . . . .
C40 C 0.8002(2) 0.57511(9) 0.07378(10) 0.0307(4) Uani 1 1 d . . . . .
H40 H 0.875728 0.568178 0.100501 0.037 Uiso 1 1 calc R U . . .
B1 B 0.6630(2) 0.57968(9) 0.17934(10) 0.0245(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
S1 C1 1.720(2) . ?
S1 C2 1.735(2) . ?
S2 C1 1.720(2) . ?
S2 C3 1.728(2) . ?
S5 C6 1.727(2) . ?
S5 C7 1.743(2) . ?
S6 C6 1.720(2) . ?
S6 C8 1.738(2) . ?
C17 F2 1.336(2) . ?
C17 F1 1.343(3) . ?
C17 F3 1.344(3) . ?
C17 C13 1.496(3) . ?
C18 F6 1.329(2) . ?
C18 F4 1.329(3) . ?
C18 F5 1.339(3) . ?
C18 C15 1.498(3) . ?
C25 F8 1.325(3) . ?
C25 F9 1.331(3) . ?
C25 F7 1.348(3) . ?
C25 C21 1.498(3) . ?
C26 F11 1.319(7) . ?
C26 F10 1.323(7) . ?
C26 F12 1.347(7) . ?
C26 C23 1.471(10) . ?
C26B F12B 1.307(13) . ?
C26B F10B 1.318(13) . ?
C26B F11B 1.320(14) . ?
C26B C23 1.565(19) . ?
C33 F13 1.320(13) . ?
C33 F15 1.335(13) . ?
C33 F14 1.337(13) . ?
C33 C29 1.48(2) . ?
C33B F14B 1.309(8) . ?
C33B F15B 1.325(8) . ?
C33B F13B 1.348(8) . ?
C33B C29 1.513(11) . ?
C34 F16 1.315(3) . ?
C34 F18 1.323(3) . ?
C34 F17 1.325(4) . ?
C34 C31 1.506(4) . ?
C34B C31 1.31(2) . ?
C34B F17B 1.337(16) . ?
C34B F16B 1.338(16) . ?
C34B F18B 1.339(16) . ?
C41 F19 1.327(3) . ?
C41 F21 1.330(3) . ?
C41 F20 1.331(3) . ?
C41 C37 1.497(3) . ?
C42 F24 1.324(3) . ?
C42 F23 1.336(3) . ?
C42 F22 1.351(3) . ?
C42 C39 1.486(4) . ?
C1 C6 1.383(3) . ?
C2 C3 1.363(3) . ?
C2 S3B 1.736(2) . ?
C2 S3 1.736(2) . ?
C3 S4B 1.745(2) . ?
C3 S4 1.745(2) . ?
S3 C4 1.812(4) . ?
C4 C5 1.520(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 S4 1.828(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
S3B C4B 1.773(13) . ?
C4B C5B 1.495(16) . ?
C4B H4C 0.9900 . ?
C4B H4D 0.9900 . ?
C5B S4B 1.757(14) . ?
C5B H5C 0.9900 . ?
C5B H5D 0.9900 . ?
C7 C8 1.356(3) . ?
C7 S7B 1.742(2) . ?
C7 S7 1.742(2) . ?
C8 S8B 1.737(2) . ?
C8 S8 1.737(2) . ?
S7 C9 1.812(6) . ?
C9 C10 1.528(7) . ?
C9 H9A 0.9900 . ?
C9 H9AB 0.9900 . ?
C10 S8 1.799(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
S7B C9B 1.780(8) . ?
C9B C10B 1.530(10) . ?
C9B H9BA 0.9900 . ?
C9B H9BB 0.9900 . ?
C10B S8B 1.887(7) . ?
C10B H10C 0.9900 . ?
C10B H10D 0.9900 . ?
C11 C12 1.394(2) . ?
C11 C16 1.407(3) . ?
C11 B1 1.641(3) . ?
C12 C13 1.398(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.378(3) . ?
C14 C15 1.394(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.383(3) . ?
C16 H16 0.9500 . ?
C19 C24 1.397(3) . ?
C19 C20 1.406(3) . ?
C19 B1 1.639(3) . ?
C20 C21 1.386(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(3) . ?
C22 C23 1.380(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(3) . ?
C24 H24 0.9500 . ?
C27 C28 1.393(3) . ?
C27 C32 1.398(3) . ?
C27 B1 1.641(3) . ?
C28 C29 1.397(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.384(3) . ?
C30 C31 1.386(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.393(3) . ?
C32 H32 0.9500 . ?
C35 C36 1.397(3) . ?
C35 C40 1.402(3) . ?
C35 B1 1.642(3) . ?
C36 C37 1.399(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.375(4) . ?
C38 C39 1.392(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.395(3) . ?
C40 H40 0.9500 . ?

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
C1 S1 C2 95.99(11) . . ?
C1 S2 C3 95.93(11) . . ?
C6 S5 C7 95.62(11) . . ?
C6 S6 C8 95.55(11) . . ?
F2 C17 F1 106.11(17) . . ?
F2 C17 F3 106.97(18) . . ?
F1 C17 F3 105.36(17) . . ?
F2 C17 C13 113.13(17) . . ?
F1 C17 C13 112.57(18) . . ?
F3 C17 C13 112.15(17) . . ?
F6 C18 F4 105.99(18) . . ?
F6 C18 F5 104.83(18) . . ?
F4 C18 F5 106.12(18) . . ?
F6 C18 C15 113.71(17) . . ?
F4 C18 C15 112.72(18) . . ?
F5 C18 C15 112.78(17) . . ?
F8 C25 F9 107.6(2) . . ?
F8 C25 F7 105.78(19) . . ?
F9 C25 F7 105.36(19) . . ?
F8 C25 C21 113.99(18) . . ?
F9 C25 C21 112.58(18) . . ?
F7 C25 C21 110.9(2) . . ?
F11 C26 F10 109.6(7) . . ?
F11 C26 F12 103.3(7) . . ?
F10 C26 F12 104.1(6) . . ?
F11 C26 C23 111.3(7) . . ?
F10 C26 C23 114.5(6) . . ?
F12 C26 C23 113.3(5) . . ?
F12B C26B F10B 109.6(13) . . ?
F12B C26B F11B 107.5(15) . . ?
F10B C26B F11B 101.0(13) . . ?
F12B C26B C23 109.5(12) . . ?
F10B C26B C23 113.6(11) . . ?
F11B C26B C23 115.2(14) . . ?
F13 C33 F15 107.7(16) . . ?
F13 C33 F14 104.7(12) . . ?
F15 C33 F14 108.5(14) . . ?
F13 C33 C29 110.3(12) . . ?
F15 C33 C29 111.5(14) . . ?
F14 C33 C29 113.6(12) . . ?
F14B C33B F15B 105.9(9) . . ?
F14B C33B F13B 105.0(6) . . ?
F15B C33B F13B 106.6(8) . . ?
F14B C33B C29 112.4(6) . . ?
F15B C33B C29 112.8(8) . . ?
F13B C33B C29 113.4(6) . . ?
F16 C34 F18 106.0(3) . . ?
F16 C34 F17 105.6(3) . . ?
F18 C34 F17 105.8(3) . . ?
F16 C34 C31 113.3(2) . . ?
F18 C34 C31 113.1(2) . . ?
F17 C34 C31 112.4(2) . . ?
C31 C34B F17B 117.5(15) . . ?
C31 C34B F16B 117.4(15) . . ?
F17B C34B F16B 101.7(17) . . ?
C31 C34B F18B 117.5(16) . . ?
F17B C34B F18B 99.7(16) . . ?
F16B C34B F18B 99.8(16) . . ?
F19 C41 F21 106.4(2) . . ?
F19 C41 F20 106.4(3) . . ?
F21 C41 F20 105.7(2) . . ?
F19 C41 C37 113.0(2) . . ?
F21 C41 C37 113.3(3) . . ?
F20 C41 C37 111.56(19) . . ?
F24 C42 F23 106.3(2) . . ?
F24 C42 F22 105.9(2) . . ?
F23 C42 F22 105.8(2) . . ?
F24 C42 C39 114.1(2) . . ?
F23 C42 C39 113.1(2) . . ?
F22 C42 C39 111.1(2) . . ?
C6 C1 S2 122.47(17) . . ?
C6 C1 S1 122.25(16) . . ?
S2 C1 S1 115.20(12) . . ?
C3 C2 S1 116.06(18) . . ?
C3 C2 S3B 128.42(17) . . ?
S1 C2 S3B 115.50(14) . . ?
C3 C2 S3 128.42(17) . . ?
S1 C2 S3 115.50(14) . . ?
C2 C3 S2 116.76(17) . . ?
C2 C3 S4B 125.07(19) . . ?
S2 C3 S4B 117.94(14) . . ?
C2 C3 S4 125.07(19) . . ?
S2 C3 S4 117.94(14) . . ?
C2 S3 C4 104.41(16) . . ?
C5 C4 S3 114.6(3) . . ?
C5 C4 H4A 108.6 . . ?
S3 C4 H4A 108.6 . . ?
C5 C4 H4B 108.6 . . ?
S3 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C4 C5 S4 111.2(4) . . ?
C4 C5 H5A 109.4 . . ?
S4 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
S4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C3 S4 C5 96.36(17) . . ?
C2 S3B C4B 94.8(6) . . ?
C5B C4B S3B 117.0(13) . . ?
C5B C4B H4C 108.1 . . ?
S3B C4B H4C 108.1 . . ?
C5B C4B H4D 108.1 . . ?
S3B C4B H4D 108.1 . . ?
H4C C4B H4D 107.3 . . ?
C4B C5B S4B 117.3(12) . . ?
C4B C5B H5C 108.0 . . ?
S4B C5B H5C 108.0 . . ?
C4B C5B H5D 108.0 . . ?
S4B C5B H5D 108.0 . . ?
H5C C5B H5D 107.2 . . ?
C3 S4B C5B 105.5(5) . . ?
C1 C6 S6 121.84(17) . . ?
C1 C6 S5 122.35(17) . . ?
S6 C6 S5 115.58(12) . . ?
C8 C7 S7B 128.82(18) . . ?
C8 C7 S7 128.82(18) . . ?
C8 C7 S5 116.19(17) . . ?
S7B C7 S5 114.98(13) . . ?
S7 C7 S5 114.98(13) . . ?
C7 C8 S8B 128.48(18) . . ?
C7 C8 S8 128.48(18) . . ?
C7 C8 S6 117.06(17) . . ?
S8B C8 S6 114.46(14) . . ?
S8 C8 S6 114.46(14) . . ?
C7 S7 C9 100.7(2) . . ?
C10 C9 S7 116.0(4) . . ?
C10 C9 H9A 108.3 . . ?
S7 C9 H9A 108.3 . . ?
C10 C9 H9AB 108.3 . . ?
S7 C9 H9AB 108.3 . . ?
H9A C9 H9AB 107.4 . . ?
C9 C10 S8 109.7(4) . . ?
C9 C10 H10A 109.7 . . ?
S8 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
S8 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C8 S8 C10 98.40(19) . . ?
C7 S7B C9B 101.9(3) . . ?
C10B C9B S7B 110.6(5) . . ?
C10B C9B H9BA 109.5 . . ?
S7B C9B H9BA 109.5 . . ?
C10B C9B H9BB 109.5 . . ?
S7B C9B H9BB 109.5 . . ?
H9BA C9B H9BB 108.1 . . ?
C9B C10B S8B 112.7(6) . . ?
C9B C10B H10C 109.0 . . ?
S8B C10B H10C 109.0 . . ?
C9B C10B H10D 109.0 . . ?
S8B C10B H10D 109.0 . . ?
H10C C10B H10D 107.8 . . ?
C8 S8B C10B 100.1(2) . . ?
C12 C11 C16 115.57(17) . . ?
C12 C11 B1 123.61(17) . . ?
C16 C11 B1 120.64(16) . . ?
C11 C12 C13 122.01(18) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C14 C13 C12 121.30(17) . . ?
C14 C13 C17 120.80(18) . . ?
C12 C13 C17 117.88(18) . . ?
C13 C14 C15 117.80(18) . . ?
C13 C14 H14 121.1 . . ?
C15 C14 H14 121.1 . . ?
C16 C15 C14 120.72(18) . . ?
C16 C15 C18 120.55(17) . . ?
C14 C15 C18 118.70(17) . . ?
C15 C16 C11 122.56(17) . . ?
C15 C16 H16 118.7 . . ?
C11 C16 H16 118.7 . . ?
C24 C19 C20 115.28(18) . . ?
C24 C19 B1 121.68(17) . . ?
C20 C19 B1 122.90(17) . . ?
C21 C20 C19 122.00(19) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C22 C21 C20 121.52(19) . . ?
C22 C21 C25 118.21(19) . . ?
C20 C21 C25 120.26(19) . . ?
C23 C22 C21 117.7(2) . . ?
C23 C22 H22 121.1 . . ?
C21 C22 H22 121.1 . . ?
C22 C23 C24 120.8(2) . . ?
C22 C23 C26 120.0(3) . . ?
C24 C23 C26 119.1(3) . . ?
C22 C23 C26B 120.1(6) . . ?
C24 C23 C26B 118.8(6) . . ?
C23 C24 C19 122.62(19) . . ?
C23 C24 H24 118.7 . . ?
C19 C24 H24 118.7 . . ?
C28 C27 C32 115.52(17) . . ?
C28 C27 B1 121.55(17) . . ?
C32 C27 B1 122.79(17) . . ?
C27 C28 C29 122.5(2) . . ?
C27 C28 H28 118.8 . . ?
C29 C28 H28 118.8 . . ?
C30 C29 C28 120.8(2) . . ?
C30 C29 C33 117.1(6) . . ?
C28 C29 C33 121.8(6) . . ?
C30 C29 C33B 121.8(3) . . ?
C28 C29 C33B 117.3(3) . . ?
C29 C30 C31 117.83(18) . . ?
C29 C30 H30 121.1 . . ?
C31 C30 H30 121.1 . . ?
C34B C31 C30 118.2(8) . . ?
C34B C31 C32 120.9(8) . . ?
C30 C31 C32 120.91(19) . . ?
C30 C31 C34 119.65(19) . . ?
C32 C31 C34 119.4(2) . . ?
C31 C32 C27 122.40(19) . . ?
C31 C32 H32 118.8 . . ?
C27 C32 H32 118.8 . . ?
C36 C35 C40 116.17(19) . . ?
C36 C35 B1 122.56(19) . . ?
C40 C35 B1 120.83(17) . . ?
C35 C36 C37 121.8(2) . . ?
C35 C36 H36 119.1 . . ?
C37 C36 H36 119.1 . . ?
C38 C37 C36 121.1(2) . . ?
C38 C37 C41 121.2(2) . . ?
C36 C37 C41 117.6(2) . . ?
C37 C38 C39 118.5(2) . . ?
C37 C38 H38 120.8 . . ?
C39 C38 H38 120.8 . . ?
C38 C39 C40 120.4(2) . . ?
C38 C39 C42 118.7(2) . . ?
C40 C39 C42 120.6(2) . . ?
C39 C40 C35 122.1(2) . . ?
C39 C40 H40 119.0 . . ?
C35 C40 H40 119.0 . . ?
C19 B1 C11 108.90(15) . . ?
C19 B1 C27 109.99(16) . . ?
C11 B1 C27 109.89(14) . . ?
C19 B1 C35 110.01(15) . . ?
C11 B1 C35 109.92(16) . . ?
C27 B1 C35 108.12(15) . . ?

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
C3 S2 C1 C6 178.91(18) . . . . ?
C3 S2 C1 S1 2.05(13) . . . . ?
C2 S1 C1 C6 -178.15(17) . . . . ?
C2 S1 C1 S2 -1.29(13) . . . . ?
C1 S1 C2 C3 -0.30(19) . . . . ?
C1 S1 C2 S3B 178.35(13) . . . . ?
C1 S1 C2 S3 178.35(13) . . . . ?
S1 C2 C3 S2 1.8(2) . . . . ?
S3B C2 C3 S2 -176.64(13) . . . . ?
S3 C2 C3 S2 -176.64(13) . . . . ?
S1 C2 C3 S4B 176.18(13) . . . . ?
S3B C2 C3 S4B -2.3(3) . . . . ?
S1 C2 C3 S4 176.18(13) . . . . ?
S3 C2 C3 S4 -2.3(3) . . . . ?
C1 S2 C3 C2 -2.3(2) . . . . ?
C1 S2 C3 S4B -177.09(14) . . . . ?
C1 S2 C3 S4 -177.09(14) . . . . ?
C3 C2 S3 C4 14.0(3) . . . . ?
S1 C2 S3 C4 -164.4(2) . . . . ?
C2 S3 C4 C5 21.4(5) . . . . ?
S3 C4 C5 S4 -65.2(6) . . . . ?
C2 C3 S4 C5 -35.1(3) . . . . ?
S2 C3 S4 C5 139.2(2) . . . . ?
C4 C5 S4 C3 68.1(4) . . . . ?
C3 C2 S3B C4B 36.4(7) . . . . ?
S1 C2 S3B C4B -142.1(6) . . . . ?
C2 S3B C4B C5B -63.1(18) . . . . ?
S3B C4B C5B S4B 57(3) . . . . ?
C2 C3 S4B C5B -14.2(9) . . . . ?
S2 C3 S4B C5B 160.2(9) . . . . ?
C4B C5B S4B C3 -13(2) . . . . ?
S2 C1 C6 S6 1.6(2) . . . . ?
S1 C1 C6 S6 178.24(11) . . . . ?
S2 C1 C6 S5 -172.59(11) . . . . ?
S1 C1 C6 S5 4.0(2) . . . . ?
C8 S6 C6 C1 -174.43(17) . . . . ?
C8 S6 C6 S5 0.13(13) . . . . ?
C7 S5 C6 C1 174.45(17) . . . . ?
C7 S5 C6 S6 -0.09(13) . . . . ?
C6 S5 C7 C8 -0.02(18) . . . . ?
C6 S5 C7 S7B 179.31(12) . . . . ?
C6 S5 C7 S7 179.31(12) . . . . ?
S7B C7 C8 S8B 1.6(3) . . . . ?
S5 C7 C8 S8B -179.15(13) . . . . ?
S7 C7 C8 S8 1.6(3) . . . . ?
S5 C7 C8 S8 -179.15(13) . . . . ?
S7B C7 C8 S6 -179.10(13) . . . . ?
S7 C7 C8 S6 -179.10(13) . . . . ?
S5 C7 C8 S6 0.1(2) . . . . ?
C6 S6 C8 C7 -0.15(19) . . . . ?
C6 S6 C8 S8B 179.22(12) . . . . ?
C6 S6 C8 S8 179.22(12) . . . . ?
C8 C7 S7 C9 0.1(3) . . . . ?
S5 C7 S7 C9 -179.2(3) . . . . ?
C7 S7 C9 C10 -37.9(6) . . . . ?
S7 C9 C10 S8 72.6(6) . . . . ?
C7 C8 S8 C10 25.6(3) . . . . ?
S6 C8 S8 C10 -153.7(2) . . . . ?
C9 C10 S8 C8 -59.3(4) . . . . ?
C8 C7 S7B C9B -18.6(4) . . . . ?
S5 C7 S7B C9B 162.2(3) . . . . ?
C7 S7B C9B C10B 53.3(7) . . . . ?
S7B C9B C10B S8B -73.3(7) . . . . ?
C7 C8 S8B C10B -12.1(3) . . . . ?
S6 C8 S8B C10B 168.6(3) . . . . ?
C9B C10B S8B C8 47.9(5) . . . . ?
C16 C11 C12 C13 -1.3(3) . . . . ?
B1 C11 C12 C13 173.91(18) . . . . ?
C11 C12 C13 C14 -0.2(3) . . . . ?
C11 C12 C13 C17 178.03(19) . . . . ?
F2 C17 C13 C14 -18.1(3) . . . . ?
F1 C17 C13 C14 -138.4(2) . . . . ?
F3 C17 C13 C14 103.0(2) . . . . ?
F2 C17 C13 C12 163.57(19) . . . . ?
F1 C17 C13 C12 43.3(3) . . . . ?
F3 C17 C13 C12 -75.3(3) . . . . ?
C12 C13 C14 C15 1.1(3) . . . . ?
C17 C13 C14 C15 -177.15(19) . . . . ?
C13 C14 C15 C16 -0.3(3) . . . . ?
C13 C14 C15 C18 -178.25(19) . . . . ?
F6 C18 C15 C16 13.1(3) . . . . ?
F4 C18 C15 C16 -107.6(2) . . . . ?
F5 C18 C15 C16 132.3(2) . . . . ?
F6 C18 C15 C14 -168.94(19) . . . . ?
F4 C18 C15 C14 70.4(3) . . . . ?
F5 C18 C15 C14 -49.8(3) . . . . ?
C14 C15 C16 C11 -1.3(3) . . . . ?
C18 C15 C16 C11 176.57(19) . . . . ?
C12 C11 C16 C15 2.1(3) . . . . ?
B1 C11 C16 C15 -173.28(18) . . . . ?
C24 C19 C20 C21 1.3(3) . . . . ?
B1 C19 C20 C21 -174.46(18) . . . . ?
C19 C20 C21 C22 0.9(3) . . . . ?
C19 C20 C21 C25 -178.71(19) . . . . ?
F8 C25 C21 C22 178.5(2) . . . . ?
F9 C25 C21 C22 55.5(3) . . . . ?
F7 C25 C21 C22 -62.3(3) . . . . ?
F8 C25 C21 C20 -1.9(3) . . . . ?
F9 C25 C21 C20 -124.9(2) . . . . ?
F7 C25 C21 C20 117.3(2) . . . . ?
C20 C21 C22 C23 -2.2(3) . . . . ?
C25 C21 C22 C23 177.3(2) . . . . ?
C21 C22 C23 C24 1.4(4) . . . . ?
C21 C22 C23 C26 177.6(4) . . . . ?
C21 C22 C23 C26B -172.0(7) . . . . ?
F11 C26 C23 C22 118.8(6) . . . . ?
F10 C26 C23 C22 -6.3(7) . . . . ?
F12 C26 C23 C22 -125.4(5) . . . . ?
F11 C26 C23 C24 -65.0(7) . . . . ?
F10 C26 C23 C24 169.9(5) . . . . ?
F12 C26 C23 C24 50.8(6) . . . . ?
F12B C26B C23 C22 -98.0(11) . . . . ?
F10B C26B C23 C22 24.9(15) . . . . ?
F11B C26B C23 C22 140.7(11) . . . . ?
F12B C26B C23 C24 88.5(13) . . . . ?
F10B C26B C23 C24 -148.6(11) . . . . ?
F11B C26B C23 C24 -32.8(14) . . . . ?
C22 C23 C24 C19 0.7(4) . . . . ?
C26 C23 C24 C19 -175.4(4) . . . . ?
C26B C23 C24 C19 174.2(7) . . . . ?
C20 C19 C24 C23 -2.1(3) . . . . ?
B1 C19 C24 C23 173.7(2) . . . . ?
C32 C27 C28 C29 -2.0(3) . . . . ?
B1 C27 C28 C29 173.95(19) . . . . ?
C27 C28 C29 C30 1.4(3) . . . . ?
C27 C28 C29 C33 174.6(7) . . . . ?
C27 C28 C29 C33B -174.9(4) . . . . ?
F13 C33 C29 C30 -160.7(9) . . . . ?
F15 C33 C29 C30 -41.0(14) . . . . ?
F14 C33 C29 C30 82.1(12) . . . . ?
F13 C33 C29 C28 25.9(13) . . . . ?
F15 C33 C29 C28 145.5(10) . . . . ?
F14 C33 C29 C28 -91.4(11) . . . . ?
F14B C33B C29 C30 116.7(6) . . . . ?
F15B C33B C29 C30 -3.0(9) . . . . ?
F13B C33B C29 C30 -124.3(6) . . . . ?
F14B C33B C29 C28 -67.1(7) . . . . ?
F15B C33B C29 C28 173.2(6) . . . . ?
F13B C33B C29 C28 51.9(7) . . . . ?
C28 C29 C30 C31 0.0(3) . . . . ?
C33 C29 C30 C31 -173.6(7) . . . . ?
C33B C29 C30 C31 176.1(4) . . . . ?
F17B C34B C31 C30 -7(2) . . . . ?
F16B C34B C31 C30 -129.2(15) . . . . ?
F18B C34B C31 C30 111.7(16) . . . . ?
F17B C34B C31 C32 172.0(15) . . . . ?
F16B C34B C31 C32 50.1(19) . . . . ?
F18B C34B C31 C32 -69.0(18) . . . . ?
C29 C30 C31 C34B 178.7(9) . . . . ?
C29 C30 C31 C32 -0.6(3) . . . . ?
C29 C30 C31 C34 -179.1(2) . . . . ?
F16 C34 C31 C30 -57.8(3) . . . . ?
F18 C34 C31 C30 -178.5(3) . . . . ?
F17 C34 C31 C30 61.7(3) . . . . ?
F16 C34 C31 C32 123.6(3) . . . . ?
F18 C34 C31 C32 3.0(4) . . . . ?
F17 C34 C31 C32 -116.8(3) . . . . ?
C34B C31 C32 C27 -179.4(9) . . . . ?
C30 C31 C32 C27 -0.1(3) . . . . ?
C34 C31 C32 C27 178.5(2) . . . . ?
C28 C27 C32 C31 1.3(3) . . . . ?
B1 C27 C32 C31 -174.56(18) . . . . ?
C40 C35 C36 C37 -1.6(3) . . . . ?
B1 C35 C36 C37 170.86(18) . . . . ?
C35 C36 C37 C38 0.0(3) . . . . ?
C35 C36 C37 C41 -176.93(19) . . . . ?
F19 C41 C37 C38 132.9(2) . . . . ?
F21 C41 C37 C38 11.9(3) . . . . ?
F20 C41 C37 C38 -107.2(3) . . . . ?
F19 C41 C37 C36 -50.1(3) . . . . ?
F21 C41 C37 C36 -171.2(2) . . . . ?
F20 C41 C37 C36 69.7(3) . . . . ?
C36 C37 C38 C39 0.9(3) . . . . ?
C41 C37 C38 C39 177.7(2) . . . . ?
C37 C38 C39 C40 -0.1(3) . . . . ?
C37 C38 C39 C42 -174.8(2) . . . . ?
F24 C42 C39 C38 -164.6(2) . . . . ?
F23 C42 C39 C38 -43.0(3) . . . . ?
F22 C42 C39 C38 75.8(3) . . . . ?
F24 C42 C39 C40 20.7(3) . . . . ?
F23 C42 C39 C40 142.3(2) . . . . ?
F22 C42 C39 C40 -98.9(3) . . . . ?
C38 C39 C40 C35 -1.6(3) . . . . ?
C42 C39 C40 C35 173.0(2) . . . . ?
C36 C35 C40 C39 2.4(3) . . . . ?
B1 C35 C40 C39 -170.23(18) . . . . ?
C24 C19 B1 C11 160.05(18) . . . . ?
C20 C19 B1 C11 -24.5(2) . . . . ?
C24 C19 B1 C27 39.6(2) . . . . ?
C20 C19 B1 C27 -144.97(17) . . . . ?
C24 C19 B1 C35 -79.4(2) . . . . ?
C20 C19 B1 C35 96.0(2) . . . . ?
C12 C11 B1 C19 -96.7(2) . . . . ?
C16 C11 B1 C19 78.3(2) . . . . ?
C12 C11 B1 C27 23.9(3) . . . . ?
C16 C11 B1 C27 -161.16(18) . . . . ?
C12 C11 B1 C35 142.75(18) . . . . ?
C16 C11 B1 C35 -42.3(2) . . . . ?
C28 C27 B1 C19 44.8(2) . . . . ?
C32 C27 B1 C19 -139.54(18) . . . . ?
C28 C27 B1 C11 -75.1(2) . . . . ?
C32 C27 B1 C11 100.6(2) . . . . ?
C28 C27 B1 C35 164.96(18) . . . . ?
C32 C27 B1 C35 -19.4(2) . . . . ?
C36 C35 B1 C19 23.6(2) . . . . ?
C40 C35 B1 C19 -164.21(17) . . . . ?
C36 C35 B1 C11 143.54(18) . . . . ?
C40 C35 B1 C11 -44.3(2) . . . . ?
C36 C35 B1 C27 -96.5(2) . . . . ?
C40 C35 B1 C27 75.7(2) . . . . ?

_refine_diff_density_max         0.463
_refine_diff_density_min         -0.456
_refine_diff_density_rms         0.059



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RS142_0m
_database_code_depnum_ccdc_archive 'CCDC 2011365'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C H6 B11 Br6, C6 H4 S4'
_chemical_formula_sum            'C7 H10 B11 Br6 S4'
_chemical_formula_weight         820.76

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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   8.1423(6)
_cell_length_b                   13.7726(10)
_cell_length_c                   10.2776(7)
_cell_angle_alpha                90
_cell_angle_beta                 92.209(3)
_cell_angle_gamma                90
_cell_volume                     1151.68(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9097
_cell_measurement_theta_min      2.4740
_cell_measurement_theta_max      32.4794

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.367
_exptl_crystal_F_000             762
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    10.817
_shelx_estimated_absorpt_T_min   0.134
_shelx_estimated_absorpt_T_max   0.382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4190
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            24760
_diffrn_reflns_av_unetI/netI     0.0583
_diffrn_reflns_av_R_equivalents  0.0607
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.474
_diffrn_reflns_theta_max         33.189
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4530
_reflns_number_gt                3233
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 v2018.1-0 (Bruker, 2018)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev988 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0400P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4530
_refine_ls_number_parameters     136
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_ref         0.0821
_refine_ls_wR_factor_gt          0.0735
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Br1 Br 0.34784(5) 0.250000 0.82342(4) 0.01618(9) Uani 1 2 d S T P . .
Br2 Br -0.10990(5) 0.250000 0.95552(4) 0.02160(10) Uani 1 2 d S T P . .
Br3 Br 0.06587(3) 0.47373(2) 0.79164(3) 0.01960(8) Uani 1 1 d . . . . .
Br4 Br 0.33314(4) 0.38976(2) 0.50687(3) 0.02287(8) Uani 1 1 d . . . . .
S1 S 0.60145(9) 0.36789(5) 0.20883(8) 0.02196(16) Uani 1 1 d . . . . .
S2 S 0.25521(9) 0.36720(5) 0.12982(7) 0.02080(15) Uani 1 1 d . . . . .
C1 C 0.4288(3) 0.3005(2) 0.1694(3) 0.0157(5) Uani 1 1 d . . . . .
C2 C 0.3489(4) 0.4787(2) 0.1471(3) 0.0220(6) Uani 1 1 d . . . . .
H2 H 0.290114 0.537307 0.130673 0.026 Uiso 1 1 calc R U . . .
C3 C 0.5083(4) 0.4793(2) 0.1847(3) 0.0232(6) Uani 1 1 d . . . . .
H3 H 0.567288 0.538251 0.197374 0.028 Uiso 1 1 calc R U . . .
C4 C -0.1727(5) 0.250000 0.5171(4) 0.0193(8) Uani 1 2 d S T P . .
H4 H -0.283884 0.250000 0.449409 0.023 Uiso 1 2 calc R U P . .
B1 B 0.1471(5) 0.250000 0.7119(4) 0.0131(8) Uani 1 2 d S T P . .
B2 B -0.0578(5) 0.250000 0.7718(4) 0.0148(8) Uani 1 2 d S T P . .
B3 B 0.0200(4) 0.3549(2) 0.6920(3) 0.0143(6) Uani 1 1 d . . . . .
B4 B 0.1432(4) 0.3153(2) 0.5614(3) 0.0163(6) Uani 1 1 d . . . . .
B5 B -0.1845(4) 0.3149(2) 0.6576(3) 0.0172(6) Uani 1 1 d . . . . .
H5 H -0.294100 0.357462 0.687240 0.021 Uiso 1 1 calc R U . . .
B6 B -0.0608(4) 0.3554(2) 0.5284(3) 0.0190(6) Uani 1 1 d . . . . .
H6 H -0.088910 0.424195 0.473950 0.023 Uiso 1 1 calc R U . . .
B7 B 0.0137(6) 0.250000 0.4485(5) 0.0200(9) Uani 1 2 d S T P . .
H7 H 0.033608 0.250000 0.341310 0.024 Uiso 1 2 calc R U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Br1 B1 1.960(4) . ?
Br2 B2 1.951(4) . ?
Br3 B3 1.959(3) . ?
Br4 B4 1.956(3) . ?
S1 C1 1.720(3) . ?
S1 C3 1.725(3) . ?
S2 C2 1.721(3) . ?
S2 C1 1.721(3) . ?
C1 C1 1.391(5) 4_565 ?
C2 C3 1.340(4) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 B7 1.697(6) . ?
C4 B5 1.704(4) 4_565 ?
C4 B5 1.704(4) . ?
C4 B6 1.715(4) . ?
C4 B6 1.715(4) 4_565 ?
C4 H4 1.1200 . ?
B1 B3 1.784(4) 4_565 ?
B1 B3 1.784(4) . ?
B1 B4 1.788(5) 4_565 ?
B1 B4 1.788(5) . ?
B1 B2 1.800(6) . ?
B2 B5 1.773(5) 4_565 ?
B2 B5 1.773(5) . ?
B2 B3 1.789(4) 4_565 ?
B2 B3 1.789(4) . ?
B3 B5 1.777(4) . ?
B3 B6 1.782(4) . ?
B3 B4 1.791(4) . ?
B4 B6 1.771(5) . ?
B4 B7 1.781(5) . ?
B4 B4 1.798(6) 4_565 ?
B5 B6 1.786(5) . ?
B5 B5 1.787(6) 4_565 ?
B5 H5 1.1200 . ?
B6 B7 1.785(4) . ?
B6 H6 1.1200 . ?
B7 H7 1.1200 . ?

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
C1 S1 C3 95.47(14) . . ?
C2 S2 C1 95.48(14) . . ?
C1 C1 S1 122.67(9) 4_565 . ?
C1 C1 S2 122.26(9) 4_565 . ?
S1 C1 S2 115.07(15) . . ?
C3 C2 S2 117.1(2) . . ?
C3 C2 H2 121.5 . . ?
S2 C2 H2 121.5 . . ?
C2 C3 S1 116.9(2) . . ?
C2 C3 H3 121.6 . . ?
S1 C3 H3 121.6 . . ?
B7 C4 B5 115.6(3) . 4_565 ?
B7 C4 B5 115.6(3) . . ?
B5 C4 B5 63.2(3) 4_565 . ?
B7 C4 B6 63.07(18) . . ?
B5 C4 B6 115.7(3) 4_565 . ?
B5 C4 B6 62.99(18) . . ?
B7 C4 B6 63.07(18) . 4_565 ?
B5 C4 B6 62.99(17) 4_565 4_565 ?
B5 C4 B6 115.7(3) . 4_565 ?
B6 C4 B6 115.6(3) . 4_565 ?
B7 C4 H4 117.2 . . ?
B5 C4 H4 117.1 4_565 . ?
B5 C4 H4 117.1 . . ?
B6 C4 H4 117.2 . . ?
B6 C4 H4 117.2 4_565 . ?
B3 B1 B3 108.2(3) 4_565 . ?
B3 B1 B4 60.20(17) 4_565 4_565 ?
B3 B1 B4 108.5(2) . 4_565 ?
B3 B1 B4 108.5(2) 4_565 . ?
B3 B1 B4 60.20(17) . . ?
B4 B1 B4 60.4(2) 4_565 . ?
B3 B1 B2 59.90(16) 4_565 . ?
B3 B1 B2 59.90(16) . . ?
B4 B1 B2 108.1(2) 4_565 . ?
B4 B1 B2 108.1(2) . . ?
B3 B1 Br1 122.27(16) 4_565 . ?
B3 B1 Br1 122.27(16) . . ?
B4 B1 Br1 119.5(2) 4_565 . ?
B4 B1 Br1 119.5(2) . . ?
B2 B1 Br1 124.3(3) . . ?
B5 B2 B5 60.5(2) 4_565 . ?
B5 B2 B3 59.83(17) 4_565 4_565 ?
B5 B2 B3 108.1(3) . 4_565 ?
B5 B2 B3 108.1(3) 4_565 . ?
B5 B2 B3 59.83(17) . . ?
B3 B2 B3 107.7(3) 4_565 . ?
B5 B2 B1 107.3(3) 4_565 . ?
B5 B2 B1 107.3(3) . . ?
B3 B2 B1 59.60(16) 4_565 . ?
B3 B2 B1 59.60(16) . . ?
B5 B2 Br2 119.9(2) 4_565 . ?
B5 B2 Br2 119.9(2) . . ?
B3 B2 Br2 122.51(16) 4_565 . ?
B3 B2 Br2 122.51(16) . . ?
B1 B2 Br2 124.7(3) . . ?
B5 B3 B6 60.27(18) . . ?
B5 B3 B1 107.8(2) . . ?
B6 B3 B1 107.6(2) . . ?
B5 B3 B2 59.65(19) . . ?
B6 B3 B2 108.1(2) . . ?
B1 B3 B2 60.5(2) . . ?
B5 B3 B4 107.7(2) . . ?
B6 B3 B4 59.43(18) . . ?
B1 B3 B4 60.02(19) . . ?
B2 B3 B4 108.4(2) . . ?
B5 B3 Br3 121.42(19) . . ?
B6 B3 Br3 123.11(19) . . ?
B1 B3 Br3 121.2(2) . . ?
B2 B3 Br3 119.9(2) . . ?
B4 B3 Br3 123.05(19) . . ?
B6 B4 B7 60.33(19) . . ?
B6 B4 B1 107.9(2) . . ?
B7 B4 B1 107.4(2) . . ?
B6 B4 B3 60.02(18) . . ?
B7 B4 B3 107.9(2) . . ?
B1 B4 B3 59.78(17) . . ?
B6 B4 B4 108.17(14) . 4_565 ?
B7 B4 B4 59.69(13) . 4_565 ?
B1 B4 B4 59.82(12) . 4_565 ?
B3 B4 B4 107.74(13) . 4_565 ?
B6 B4 Br4 121.9(2) . . ?
B7 B4 Br4 122.2(2) . . ?
B1 B4 Br4 121.6(2) . . ?
B3 B4 Br4 121.78(19) . . ?
B4 B4 Br4 121.64(9) 4_565 . ?
C4 B5 B2 104.3(2) . . ?
C4 B5 B3 104.4(2) . . ?
B2 B5 B3 60.53(18) . . ?
C4 B5 B6 58.80(18) . . ?
B2 B5 B6 108.6(2) . . ?
B3 B5 B6 60.00(18) . . ?
C4 B5 B5 58.38(13) . 4_565 ?
B2 B5 B5 59.75(12) . 4_565 ?
B3 B5 B5 108.07(14) . 4_565 ?
B6 B5 B5 108.19(14) . 4_565 ?
C4 B5 H5 125.2 . . ?
B2 B5 H5 122.2 . . ?
B3 B5 H5 122.3 . . ?
B6 B5 H5 121.1 . . ?
B5 B5 H5 121.6 4_565 . ?
C4 B6 B4 104.0(2) . . ?
C4 B6 B3 103.7(2) . . ?
B4 B6 B3 60.56(17) . . ?
C4 B6 B7 58.0(2) . . ?
B4 B6 B7 60.1(2) . . ?
B3 B6 B7 108.1(2) . . ?
C4 B6 B5 58.21(19) . . ?
B4 B6 B5 108.2(2) . . ?
B3 B6 B5 59.73(18) . . ?
B7 B6 B5 107.4(2) . . ?
C4 B6 H6 125.8 . . ?
B4 B6 H6 122.1 . . ?
B3 B6 H6 122.4 . . ?
B7 B6 H6 121.7 . . ?
B5 B6 H6 121.7 . . ?
C4 B7 B4 104.3(3) . 4_565 ?
C4 B7 B4 104.3(3) . . ?
B4 B7 B4 60.6(3) 4_565 . ?
C4 B7 B6 58.95(18) . . ?
B4 B7 B6 108.3(3) 4_565 . ?
B4 B7 B6 59.55(17) . . ?
C4 B7 B6 58.95(18) . 4_565 ?
B4 B7 B6 59.55(17) 4_565 4_565 ?
B4 B7 B6 108.3(3) . 4_565 ?
B6 B7 B6 108.8(3) . 4_565 ?
C4 B7 H7 125.0 . . ?
B4 B7 H7 122.4 4_565 . ?
B4 B7 H7 122.4 . . ?
B6 B7 H7 121.1 . . ?
B6 B7 H7 121.1 4_565 . ?

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
C3 S1 C1 C1 179.04(11) . . . 4_565 ?
C3 S1 C1 S2 -1.02(19) . . . . ?
C2 S2 C1 C1 -178.64(11) . . . 4_565 ?
C2 S2 C1 S1 1.42(19) . . . . ?
C1 S2 C2 C3 -1.4(3) . . . . ?
S2 C2 C3 S1 1.0(4) . . . . ?
C1 S1 C3 C2 0.0(3) . . . . ?
B3 B1 B2 B5 -37.57(18) 4_565 . . 4_565 ?
B3 B1 B2 B5 101.3(2) . . . 4_565 ?
B4 B1 B2 B5 -0.1(2) 4_565 . . 4_565 ?
B4 B1 B2 B5 63.76(18) . . . 4_565 ?
Br1 B1 B2 B5 -148.16(15) . . . 4_565 ?
B3 B1 B2 B5 -101.3(2) 4_565 . . . ?
B3 B1 B2 B5 37.57(18) . . . . ?
B4 B1 B2 B5 -63.76(18) 4_565 . . . ?
B4 B1 B2 B5 0.1(2) . . . . ?
Br1 B1 B2 B5 148.16(15) . . . . ?
B3 B1 B2 B3 138.8(3) . . . 4_565 ?
B4 B1 B2 B3 37.49(19) 4_565 . . 4_565 ?
B4 B1 B2 B3 101.3(2) . . . 4_565 ?
Br1 B1 B2 B3 -110.59(15) . . . 4_565 ?
B3 B1 B2 B3 -138.8(3) 4_565 . . . ?
B4 B1 B2 B3 -101.3(2) 4_565 . . . ?
B4 B1 B2 B3 -37.49(19) . . . . ?
Br1 B1 B2 B3 110.59(15) . . . . ?
B3 B1 B2 Br2 110.59(15) 4_565 . . . ?
B3 B1 B2 Br2 -110.59(15) . . . . ?
B4 B1 B2 Br2 148.08(14) 4_565 . . . ?
B4 B1 B2 Br2 -148.08(14) . . . . ?
Br1 B1 B2 Br2 0.000(1) . . . . ?
B3 B1 B3 B5 -0.8(4) 4_565 . . . ?
B4 B1 B3 B5 63.0(3) 4_565 . . . ?
B4 B1 B3 B5 100.6(2) . . . . ?
B2 B1 B3 B5 -37.6(2) . . . . ?
Br1 B1 B3 B5 -151.4(2) . . . . ?
B3 B1 B3 B6 -64.4(3) 4_565 . . . ?
B4 B1 B3 B6 -0.6(3) 4_565 . . . ?
B4 B1 B3 B6 36.9(2) . . . . ?
B2 B1 B3 B6 -101.2(3) . . . . ?
Br1 B1 B3 B6 144.9(2) . . . . ?
B3 B1 B3 B2 36.8(3) 4_565 . . . ?
B4 B1 B3 B2 100.6(3) 4_565 . . . ?
B4 B1 B3 B2 138.2(2) . . . . ?
Br1 B1 B3 B2 -113.8(3) . . . . ?
B3 B1 B3 B4 -101.4(3) 4_565 . . . ?
B4 B1 B3 B4 -37.6(2) 4_565 . . . ?
B2 B1 B3 B4 -138.2(2) . . . . ?
Br1 B1 B3 B4 108.0(3) . . . . ?
B3 B1 B3 Br3 145.92(15) 4_565 . . . ?
B4 B1 B3 Br3 -150.3(2) 4_565 . . . ?
B4 B1 B3 Br3 -112.7(2) . . . . ?
B2 B1 B3 Br3 109.1(3) . . . . ?
Br1 B1 B3 Br3 -4.7(4) . . . . ?
B5 B2 B3 B5 37.9(2) 4_565 . . . ?
B3 B2 B3 B5 101.1(3) 4_565 . . . ?
B1 B2 B3 B5 137.7(3) . . . . ?
Br2 B2 B3 B5 -108.2(3) . . . . ?
B5 B2 B3 B6 0.6(3) 4_565 . . . ?
B5 B2 B3 B6 -37.2(2) . . . . ?
B3 B2 B3 B6 63.8(3) 4_565 . . . ?
B1 B2 B3 B6 100.4(3) . . . . ?
Br2 B2 B3 B6 -145.4(2) . . . . ?
B5 B2 B3 B1 -99.8(3) 4_565 . . . ?
B5 B2 B3 B1 -137.7(3) . . . . ?
B3 B2 B3 B1 -36.6(3) 4_565 . . . ?
Br2 B2 B3 B1 114.1(3) . . . . ?
B5 B2 B3 B4 -62.3(3) 4_565 . . . ?
B5 B2 B3 B4 -100.2(2) . . . . ?
B3 B2 B3 B4 0.9(4) 4_565 . . . ?
B1 B2 B3 B4 37.5(2) . . . . ?
Br2 B2 B3 B4 151.6(2) . . . . ?
B5 B2 B3 Br3 149.0(2) 4_565 . . . ?
B5 B2 B3 Br3 111.1(2) . . . . ?
B3 B2 B3 Br3 -147.82(15) 4_565 . . . ?
B1 B2 B3 Br3 -111.2(2) . . . . ?
Br2 B2 B3 Br3 2.9(4) . . . . ?
B3 B1 B4 B6 63.5(3) 4_565 . . . ?
B3 B1 B4 B6 -37.3(2) . . . . ?
B4 B1 B4 B6 101.03(19) 4_565 . . . ?
B2 B1 B4 B6 0.1(2) . . . . ?
Br1 B1 B4 B6 -149.78(18) . . . . ?
B3 B1 B4 B7 -0.1(3) 4_565 . . . ?
B3 B1 B4 B7 -100.9(2) . . . . ?
B4 B1 B4 B7 37.4(3) 4_565 . . . ?
B2 B1 B4 B7 -63.6(2) . . . . ?
Br1 B1 B4 B7 146.6(2) . . . . ?
B3 B1 B4 B3 100.8(3) 4_565 . . . ?
B4 B1 B4 B3 138.29(18) 4_565 . . . ?
B2 B1 B4 B3 37.36(18) . . . . ?
Br1 B1 B4 B3 -112.52(18) . . . . ?
B3 B1 B4 B4 -37.50(14) 4_565 . . 4_565 ?
B3 B1 B4 B4 -138.29(18) . . . 4_565 ?
B2 B1 B4 B4 -100.94(18) . . . 4_565 ?
Br1 B1 B4 B4 109.2(2) . . . 4_565 ?
B3 B1 B4 Br4 -148.3(2) 4_565 . . . ?
B3 B1 B4 Br4 110.9(2) . . . . ?
B4 B1 B4 Br4 -110.78(17) 4_565 . . . ?
B2 B1 B4 Br4 148.29(18) . . . . ?
Br1 B1 B4 Br4 -1.6(3) . . . . ?
B5 B3 B4 B6 37.5(2) . . . . ?
B1 B3 B4 B6 138.3(2) . . . . ?
B2 B3 B4 B6 100.6(3) . . . . ?
Br3 B3 B4 B6 -111.9(2) . . . . ?
B5 B3 B4 B7 -0.6(3) . . . . ?
B6 B3 B4 B7 -38.13(19) . . . . ?
B1 B3 B4 B7 100.2(2) . . . . ?
B2 B3 B4 B7 62.5(3) . . . . ?
Br3 B3 B4 B7 -150.00(19) . . . . ?
B5 B3 B4 B1 -100.8(2) . . . . ?
B6 B3 B4 B1 -138.3(2) . . . . ?
B2 B3 B4 B1 -37.7(2) . . . . ?
Br3 B3 B4 B1 109.8(2) . . . . ?
B5 B3 B4 B4 -63.64(19) . . . 4_565 ?
B6 B3 B4 B4 -101.15(15) . . . 4_565 ?
B1 B3 B4 B4 37.15(15) . . . 4_565 ?
B2 B3 B4 B4 -0.6(2) . . . 4_565 ?
Br3 B3 B4 B4 146.97(15) . . . 4_565 ?
B5 B3 B4 Br4 148.6(2) . . . . ?
B6 B3 B4 Br4 111.1(2) . . . . ?
B1 B3 B4 Br4 -110.6(2) . . . . ?
B2 B3 B4 Br4 -148.4(2) . . . . ?
Br3 B3 B4 Br4 -0.8(3) . . . . ?
B7 C4 B5 B2 -67.2(3) . . . . ?
B5 C4 B5 B2 39.9(3) 4_565 . . . ?
B6 C4 B5 B2 -103.3(2) . . . . ?
B6 C4 B5 B2 3.7(3) 4_565 . . . ?
B7 C4 B5 B3 -4.6(3) . . . . ?
B5 C4 B5 B3 102.61(19) 4_565 . . . ?
B6 C4 B5 B3 -40.7(2) . . . . ?
B6 C4 B5 B3 66.4(3) 4_565 . . . ?
B7 C4 B5 B6 36.1(2) . . . . ?
B5 C4 B5 B6 143.3(2) 4_565 . . . ?
B6 C4 B5 B6 107.0(3) 4_565 . . . ?
B7 C4 B5 B5 -107.2(2) . . . 4_565 ?
B6 C4 B5 B5 -143.3(2) . . . 4_565 ?
B6 C4 B5 B5 -36.24(17) 4_565 . . 4_565 ?
B5 B2 B5 C4 -39.2(3) 4_565 . . . ?
B3 B2 B5 C4 -1.7(3) 4_565 . . . ?
B3 B2 B5 C4 98.7(2) . . . . ?
B1 B2 B5 C4 61.2(2) . . . . ?
Br2 B2 B5 C4 -148.81(19) . . . . ?
B5 B2 B5 B3 -137.91(19) 4_565 . . . ?
B3 B2 B5 B3 -100.3(3) 4_565 . . . ?
B1 B2 B5 B3 -37.47(18) . . . . ?
Br2 B2 B5 B3 112.53(19) . . . . ?
B5 B2 B5 B6 -100.7(2) 4_565 . . . ?
B3 B2 B5 B6 -63.1(3) 4_565 . . . ?
B3 B2 B5 B6 37.2(2) . . . . ?
B1 B2 B5 B6 -0.2(2) . . . . ?
Br2 B2 B5 B6 149.78(19) . . . . ?
B3 B2 B5 B5 37.57(15) 4_565 . . 4_565 ?
B3 B2 B5 B5 137.91(19) . . . 4_565 ?
B1 B2 B5 B5 100.44(18) . . . 4_565 ?
Br2 B2 B5 B5 -109.6(2) . . . 4_565 ?
B6 B3 B5 C4 40.06(19) . . . . ?
B1 B3 B5 C4 -60.5(3) . . . . ?
B2 B3 B5 C4 -98.5(2) . . . . ?
B4 B3 B5 C4 2.9(3) . . . . ?
Br3 B3 B5 C4 152.90(18) . . . . ?
B6 B3 B5 B2 138.5(2) . . . . ?
B1 B3 B5 B2 38.0(2) . . . . ?
B4 B3 B5 B2 101.4(2) . . . . ?
Br3 B3 B5 B2 -108.6(2) . . . . ?
B1 B3 B5 B6 -100.5(3) . . . . ?
B2 B3 B5 B6 -138.5(2) . . . . ?
B4 B3 B5 B6 -37.1(2) . . . . ?
Br3 B3 B5 B6 112.8(2) . . . . ?
B6 B3 B5 B5 101.00(15) . . . 4_565 ?
B1 B3 B5 B5 0.5(2) . . . 4_565 ?
B2 B3 B5 B5 -37.52(16) . . . 4_565 ?
B4 B3 B5 B5 63.86(19) . . . 4_565 ?
Br3 B3 B5 B5 -146.15(15) . . . 4_565 ?
B7 C4 B6 B4 -40.5(2) . . . . ?
B5 C4 B6 B4 66.6(3) 4_565 . . . ?
B5 C4 B6 B4 103.0(2) . . . . ?
B6 C4 B6 B4 -4.2(4) 4_565 . . . ?
B7 C4 B6 B3 -103.0(3) . . . . ?
B5 C4 B6 B3 4.1(3) 4_565 . . . ?
B5 C4 B6 B3 40.4(2) . . . . ?
B6 C4 B6 B3 -66.8(4) 4_565 . . . ?
B5 C4 B6 B7 107.1(3) 4_565 . . . ?
B5 C4 B6 B7 143.4(3) . . . . ?
B6 C4 B6 B7 36.3(3) 4_565 . . . ?
B7 C4 B6 B5 -143.4(3) . . . . ?
B5 C4 B6 B5 -36.3(2) 4_565 . . . ?
B6 C4 B6 B5 -107.1(3) 4_565 . . . ?
B7 B4 B6 C4 39.4(2) . . . . ?
B1 B4 B6 C4 -60.9(3) . . . . ?
B3 B4 B6 C4 -98.1(2) . . . . ?
B4 B4 B6 C4 2.4(2) 4_565 . . . ?
Br4 B4 B6 C4 151.0(2) . . . . ?
B7 B4 B6 B3 137.4(2) . . . . ?
B1 B4 B6 B3 37.16(19) . . . . ?
B4 B4 B6 B3 100.42(14) 4_565 . . . ?
Br4 B4 B6 B3 -110.9(2) . . . . ?
B1 B4 B6 B7 -100.3(2) . . . . ?
B3 B4 B6 B7 -137.4(2) . . . . ?
B4 B4 B6 B7 -37.03(18) 4_565 . . . ?
Br4 B4 B6 B7 111.6(3) . . . . ?
B7 B4 B6 B5 100.1(3) . . . . ?
B1 B4 B6 B5 -0.2(3) . . . . ?
B3 B4 B6 B5 -37.4(2) . . . . ?
B4 B4 B6 B5 63.0(2) 4_565 . . . ?
Br4 B4 B6 B5 -148.3(2) . . . . ?
B5 B3 B6 C4 -39.6(2) . . . . ?
B1 B3 B6 C4 61.3(3) . . . . ?
B2 B3 B6 C4 -2.7(3) . . . . ?
B4 B3 B6 C4 98.5(2) . . . . ?
Br3 B3 B6 C4 -149.8(2) . . . . ?
B5 B3 B6 B4 -138.1(2) . . . . ?
B1 B3 B6 B4 -37.2(2) . . . . ?
B2 B3 B6 B4 -101.1(2) . . . . ?
Br3 B3 B6 B4 111.8(2) . . . . ?
B5 B3 B6 B7 -100.0(3) . . . . ?
B1 B3 B6 B7 0.9(3) . . . . ?
B2 B3 B6 B7 -63.0(3) . . . . ?
B4 B3 B6 B7 38.1(2) . . . . ?
Br3 B3 B6 B7 149.9(2) . . . . ?
B1 B3 B6 B5 100.9(2) . . . . ?
B2 B3 B6 B5 37.0(2) . . . . ?
B4 B3 B6 B5 138.1(2) . . . . ?
Br3 B3 B6 B5 -110.1(2) . . . . ?
B2 B5 B6 C4 95.7(2) . . . . ?
B3 B5 B6 C4 133.2(2) . . . . ?
B5 B5 B6 C4 32.42(17) 4_565 . . . ?
C4 B5 B6 B4 -95.5(2) . . . . ?
B2 B5 B6 B4 0.3(3) . . . . ?
B3 B5 B6 B4 37.8(2) . . . . ?
B5 B5 B6 B4 -63.0(2) 4_565 . . . ?
C4 B5 B6 B3 -133.2(2) . . . . ?
B2 B5 B6 B3 -37.47(19) . . . . ?
B5 B5 B6 B3 -100.80(15) 4_565 . . . ?
C4 B5 B6 B7 -32.0(2) . . . . ?
B2 B5 B6 B7 63.8(3) . . . . ?
B3 B5 B6 B7 101.2(3) . . . . ?
B5 B5 B6 B7 0.4(2) 4_565 . . . ?
B5 C4 B7 B4 -4.2(3) 4_565 . . 4_565 ?
B5 C4 B7 B4 66.93(19) . . . 4_565 ?
B6 C4 B7 B4 103.0(2) . . . 4_565 ?
B6 C4 B7 B4 -40.24(18) 4_565 . . 4_565 ?
B5 C4 B7 B4 -66.93(19) 4_565 . . . ?
B5 C4 B7 B4 4.2(3) . . . . ?
B6 C4 B7 B4 40.24(18) . . . . ?
B6 C4 B7 B4 -103.0(2) 4_565 . . . ?
B5 C4 B7 B6 -107.2(3) 4_565 . . . ?
B5 C4 B7 B6 -36.1(2) . . . . ?
B6 C4 B7 B6 -143.2(3) 4_565 . . . ?
B5 C4 B7 B6 36.1(2) 4_565 . . 4_565 ?
B5 C4 B7 B6 107.2(3) . . . 4_565 ?
B6 C4 B7 B6 143.2(3) . . . 4_565 ?
B6 B4 B7 C4 -39.94(18) . . . . ?
B1 B4 B7 C4 61.1(2) . . . . ?
B3 B4 B7 C4 -2.0(2) . . . . ?
B4 B4 B7 C4 98.54(19) 4_565 . . . ?
Br4 B4 B7 C4 -150.98(19) . . . . ?
B6 B4 B7 B4 -138.5(2) . . . 4_565 ?
B1 B4 B7 B4 -37.4(3) . . . 4_565 ?
B3 B4 B7 B4 -100.50(19) . . . 4_565 ?
Br4 B4 B7 B4 110.48(18) . . . 4_565 ?
B1 B4 B7 B6 101.1(2) . . . . ?
B3 B4 B7 B6 38.0(2) . . . . ?
B4 B4 B7 B6 138.5(2) 4_565 . . . ?
Br4 B4 B7 B6 -111.0(3) . . . . ?
B6 B4 B7 B6 -101.5(3) . . . 4_565 ?
B1 B4 B7 B6 -0.4(3) . . . 4_565 ?
B3 B4 B7 B6 -63.5(3) . . . 4_565 ?
B4 B4 B7 B6 37.00(16) 4_565 . . 4_565 ?
Br4 B4 B7 B6 147.5(2) . . . 4_565 ?
B4 B6 B7 C4 133.4(3) . . . . ?
B3 B6 B7 C4 95.1(3) . . . . ?
B5 B6 B7 C4 32.1(2) . . . . ?
C4 B6 B7 B4 -96.0(3) . . . 4_565 ?
B4 B6 B7 B4 37.5(2) . . . 4_565 ?
B3 B6 B7 B4 -0.8(3) . . . 4_565 ?
B5 B6 B7 B4 -63.9(3) . . . 4_565 ?
C4 B6 B7 B4 -133.4(3) . . . . ?
B3 B6 B7 B4 -38.3(2) . . . . ?
B5 B6 B7 B4 -101.4(2) . . . . ?
C4 B6 B7 B6 -32.8(3) . . . 4_565 ?
B4 B6 B7 B6 100.6(3) . . . 4_565 ?
B3 B6 B7 B6 62.3(4) . . . 4_565 ?
B5 B6 B7 B6 -0.7(4) . . . 4_565 ?

_refine_diff_density_max         1.334
_refine_diff_density_min         -1.325
_refine_diff_density_rms         0.185



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RS154B_0m
_database_code_depnum_ccdc_archive 'CCDC 2011370'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C32 H12 B F24), 2(C10 H12 Se4), C H2 Cl2'
_chemical_formula_sum            'C85 H50 B2 Cl2 F48 Se8'
_chemical_formula_weight         2707.45

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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.8745(9)
_cell_length_b                   14.2009(8)
_cell_length_c                   26.1484(15)
_cell_angle_alpha                93.003(2)
_cell_angle_beta                 99.251(2)
_cell_angle_gamma                106.843(2)
_cell_volume                     4840.1(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9881
_cell_measurement_theta_min      2.3772
_cell_measurement_theta_max      28.2951

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_F_000             2616
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.410
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    3.212
_shelx_estimated_absorpt_T_min   0.308
_shelx_estimated_absorpt_T_max   0.939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1182
_exptl_absorpt_correction_T_max  0.2092
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_measurement_device_type  
;
Bruker AXS D8 Quest diffractometer with PhotonII charge-integrating pixel 
array detector (CPAD)
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean 7.4074
_diffrn_reflns_number            86594
_diffrn_reflns_av_unetI/netI     0.0979
_diffrn_reflns_av_R_equivalents  0.0730
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.300
_diffrn_reflns_theta_max         28.399
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             24005
_reflns_number_gt                14691
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 v2019.1-0 (Bruker, 2019)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev1030 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
8 of the 12 trifluoromethyl groups were refined as rotationally 
disordered. All disordered moieties were restrained to have similar 
geometries as another not disordered CF3 group. Major and minor C atoms
of each group were constrained to have identical ADPs. Uij components 
of ADPs for disordered atoms closer to each other than 2.0 Angstrom 
were restrained to be similar. Subject to these conditions the 
major moiety occupancies refined to 0.732(7) (C35), 0.509(13) (C36B), 
0.558(11) (C43), 0.587(10) (C51), 0.660(12) (C59), 0.692(9) (C76), 
0.572(7) (C83), and 0.578(9) (C84). 

A methylene chloride molecule was refined as disordered. The two 
moieties were restrained to have similar geometries and C-Cl distances 
were restrained to 1.72(2) Angstrom. Uij components of ADPs for 
disordered atoms closer to each other than 2.0 Angstrom were restrained 
to be similar. Subject to these conditions the occupancy ratio refined 
to 0.598(6) to 0.402(6). 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0615P)²+5.1308P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0014(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         24005
_refine_ls_number_parameters     1591
_refine_ls_number_restraints     1789
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0620
_refine_ls_wR_factor_ref         0.1867
_refine_ls_wR_factor_gt          0.1623
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.6020(3) 0.1295(4) 0.50281(18) 0.0406(10) Uani 1 1 d . . . . .
C2 C 0.6221(3) 0.0480(4) 0.48163(19) 0.0444(11) Uani 1 1 d . . . . .
C3 C 0.6116(4) 0.3586(5) 0.6128(2) 0.0643(16) Uani 1 1 d . . . . .
H3A H 0.665076 0.419314 0.609402 0.096 Uiso 1 1 calc R U . . .
H3B H 0.634062 0.329101 0.643799 0.096 Uiso 1 1 calc R U . . .
H3C H 0.548441 0.374249 0.616074 0.096 Uiso 1 1 calc R U . . .
C4 C 0.5919(4) 0.2862(4) 0.5650(2) 0.0492(12) Uani 1 1 d . . . . .
C5 C 0.5422(4) 0.2947(4) 0.5177(2) 0.0476(12) Uani 1 1 d . . . . .
C6 C 0.4974(5) 0.3787(5) 0.5058(2) 0.0617(15) Uani 1 1 d . . . . .
H6A H 0.458302 0.365771 0.470152 0.093 Uiso 1 1 calc R U . . .
H6B H 0.552976 0.441055 0.509441 0.093 Uiso 1 1 calc R U . . .
H6C H 0.451956 0.383358 0.530314 0.093 Uiso 1 1 calc R U . . .
C7 C 0.7460(5) -0.1866(5) 0.4793(3) 0.076(2) Uani 1 1 d . . . . .
H7A H 0.730500 -0.236263 0.449271 0.115 Uiso 1 1 calc R U . . .
H7B H 0.721008 -0.218530 0.508963 0.115 Uiso 1 1 calc R U . . .
H7C H 0.820239 -0.155226 0.488474 0.115 Uiso 1 1 calc R U . . .
C8 C 0.6939(4) -0.1089(4) 0.4657(2) 0.0506(13) Uani 1 1 d . . . . .
C9 C 0.6473(4) -0.0989(4) 0.4175(2) 0.0540(13) Uani 1 1 d . . . . .
C10 C 0.6384(5) -0.1618(5) 0.3676(2) 0.0719(17) Uani 1 1 d . . . . .
H10A H 0.567194 -0.203170 0.356264 0.108 Uiso 1 1 calc R U . . .
H10B H 0.682889 -0.204054 0.373637 0.108 Uiso 1 1 calc R U . . .
H10C H 0.659209 -0.118941 0.340651 0.108 Uiso 1 1 calc R U . . .
C11 C 0.3644(4) 0.4728(4) 0.01401(19) 0.0507(13) Uani 1 1 d . . . . .
C12 C 0.3860(3) 0.3905(4) -0.00555(18) 0.0495(13) Uani 1 1 d . . . . .
C13 C 0.3213(6) 0.6721(6) 0.1245(3) 0.086(2) Uani 1 1 d . . . . .
H13A H 0.321974 0.739088 0.116934 0.129 Uiso 1 1 calc R U . . .
H13B H 0.380001 0.675623 0.151774 0.129 Uiso 1 1 calc R U . . .
H13C H 0.257655 0.638955 0.136323 0.129 Uiso 1 1 calc R U . . .
C14 C 0.3280(4) 0.6149(5) 0.0763(2) 0.0623(15) Uani 1 1 d . . . . .
C15 C 0.2939(4) 0.6315(5) 0.0266(2) 0.0607(15) Uani 1 1 d . . . . .
C16 C 0.2411(5) 0.7086(6) 0.0124(3) 0.083(2) Uani 1 1 d . . . . .
H16A H 0.254914 0.730408 -0.021378 0.125 Uiso 1 1 calc R U . . .
H16B H 0.267186 0.765409 0.039127 0.125 Uiso 1 1 calc R U . . .
H16C H 0.167096 0.679988 0.010239 0.125 Uiso 1 1 calc R U . . .
C17 C 0.4761(5) 0.1339(5) -0.0051(3) 0.0728(18) Uani 1 1 d . . . . .
H17A H 0.470844 0.091284 -0.036815 0.109 Uiso 1 1 calc R U . . .
H17B H 0.434434 0.095729 0.018071 0.109 Uiso 1 1 calc R U . . .
H17C H 0.547776 0.158571 0.012653 0.109 Uiso 1 1 calc R U . . .
C18 C 0.4378(4) 0.2204(4) -0.0194(2) 0.0558(14) Uani 1 1 d . . . . .
C19 C 0.4051(4) 0.2385(4) -0.06865(19) 0.0529(13) Uani 1 1 d . . . . .
C20 C 0.4018(5) 0.1765(5) -0.1181(2) 0.0690(17) Uani 1 1 d . . . . .
H20A H 0.418738 0.219719 -0.145465 0.103 Uiso 1 1 calc R U . . .
H20B H 0.332972 0.129839 -0.129322 0.103 Uiso 1 1 calc R U . . .
H20C H 0.451677 0.139748 -0.111549 0.103 Uiso 1 1 calc R U . . .
C21 C 1.0519(3) 0.5663(3) 0.38518(16) 0.0322(9) Uani 1 1 d . . . . .
C22 C 1.0676(3) 0.6401(3) 0.42518(16) 0.0351(9) Uani 1 1 d . . . . .
H22 H 1.044546 0.695696 0.418053 0.042 Uiso 1 1 calc R U . . .
C23 C 1.1166(3) 0.6353(3) 0.47607(16) 0.0371(10) Uani 1 1 d . . . . .
C24 C 1.1510(3) 0.5555(4) 0.48763(17) 0.0416(11) Uani 1 1 d . . . . .
H24 H 1.184549 0.551948 0.521820 0.050 Uiso 1 1 calc R U . . .
C25 C 1.1356(3) 0.4811(3) 0.44840(18) 0.0390(10) Uani 1 1 d . . . . .
C26 C 1.0870(3) 0.4859(3) 0.39805(16) 0.0346(9) Uani 1 1 d . . . . .
H26 H 1.077483 0.433407 0.371848 0.042 Uiso 1 1 calc R U . . .
C27 C 1.1306(4) 0.7157(4) 0.51827(18) 0.0469(11) Uani 1 1 d . . . . .
C28 C 1.1736(4) 0.3943(4) 0.4604(2) 0.0525(13) Uani 1 1 d D . . . .
C29 C 0.8684(3) 0.4914(3) 0.33128(15) 0.0317(9) Uani 1 1 d . . . . .
C30 C 0.8007(3) 0.5283(3) 0.35398(16) 0.0351(9) Uani 1 1 d . . . . .
H30 H 0.821354 0.596340 0.366751 0.042 Uiso 1 1 calc R U . . .
C31 C 0.7050(3) 0.4697(3) 0.35856(17) 0.0377(10) Uani 1 1 d . . . . .
C32 C 0.6722(4) 0.3694(4) 0.34234(18) 0.0424(11) Uani 1 1 d . . . . .
H32 H 0.605924 0.329211 0.345521 0.051 Uiso 1 1 calc R U . . .
C33 C 0.7384(3) 0.3297(3) 0.32151(17) 0.0379(10) Uani 1 1 d . . . . .
C34 C 0.8346(3) 0.3895(3) 0.31543(16) 0.0344(9) Uani 1 1 d . . . . .
H34 H 0.878250 0.360298 0.300193 0.041 Uiso 1 1 calc R U . . .
C35 C 0.6334(7) 0.5116(6) 0.3807(3) 0.0580(14) Uani 0.732(7) 1 d D U P A 1
F7 F 0.5450(4) 0.4944(6) 0.3479(3) 0.094(2) Uani 0.732(7) 1 d D U P A 1
F8 F 0.6697(4) 0.6079(3) 0.3957(3) 0.0721(17) Uani 0.732(7) 1 d D U P A 1
F9 F 0.6049(6) 0.4687(5) 0.4226(3) 0.098(2) Uani 0.732(7) 1 d D U P A 1
C35B C 0.6330(16) 0.5230(14) 0.3777(7) 0.0580(14) Uani 0.268(7) 1 d D U P A 2
F7B F 0.5384(11) 0.4650(12) 0.3769(7) 0.073(4) Uani 0.268(7) 1 d D U P A 2
F8B F 0.6216(12) 0.5995(11) 0.3526(7) 0.080(4) Uani 0.268(7) 1 d D U P A 2
F9B F 0.6626(11) 0.5567(15) 0.4276(6) 0.089(4) Uani 0.268(7) 1 d D U P A 2
C36 C 0.7119(10) 0.2202(14) 0.3074(6) 0.0530(14) Uani 0.491(13) 1 d D U P B 1
F10 F 0.6166(8) 0.1732(6) 0.3121(6) 0.086(3) Uani 0.491(13) 1 d D U P B 1
F11 F 0.7221(11) 0.1971(15) 0.2593(4) 0.068(3) Uani 0.491(13) 1 d D U P B 1
F12 F 0.7694(9) 0.1778(7) 0.3385(4) 0.063(2) Uani 0.491(13) 1 d D U P B 1
C36B C 0.7002(9) 0.2222(13) 0.3025(5) 0.0530(14) Uani 0.509(13) 1 d D U P B 2
F10B F 0.6016(6) 0.1882(6) 0.2784(4) 0.068(2) Uani 0.509(13) 1 d D U P B 2
F11B F 0.7503(8) 0.1971(14) 0.2674(5) 0.063(3) Uani 0.509(13) 1 d D U P B 2
F12B F 0.7068(13) 0.1654(6) 0.3404(4) 0.093(3) Uani 0.509(13) 1 d D U P B 2
C37 C 1.0271(3) 0.5217(3) 0.27955(16) 0.0332(9) Uani 1 1 d . . . . .
C38 C 0.9646(3) 0.4951(3) 0.22974(16) 0.0382(10) Uani 1 1 d . . . . .
H38 H 0.895005 0.493994 0.225963 0.046 Uiso 1 1 calc R U . . .
C39 C 1.0005(4) 0.4705(4) 0.18621(17) 0.0456(11) Uani 1 1 d . . . . .
C40 C 1.1008(3) 0.4695(3) 0.18972(17) 0.0407(10) Uani 1 1 d . . . . .
H40 H 1.124977 0.451820 0.159768 0.049 Uiso 1 1 calc R U . . .
C41 C 1.1649(3) 0.4949(3) 0.23780(16) 0.0348(9) Uani 1 1 d . . . . .
C42 C 1.1286(3) 0.5211(3) 0.28163(16) 0.0342(9) Uani 1 1 d . . . . .
H42 H 1.174483 0.539187 0.314134 0.041 Uiso 1 1 calc R U . . .
C43 C 0.9341(9) 0.4329(9) 0.1331(6) 0.060(2) Uani 0.558(11) 1 d D U P C 1
F13 F 0.8380(5) 0.4337(10) 0.1340(3) 0.081(3) Uani 0.558(11) 1 d D U P C 1
F14 F 0.9250(7) 0.3401(6) 0.1155(3) 0.077(3) Uani 0.558(11) 1 d D U P C 1
F15 F 0.9634(15) 0.4875(16) 0.0956(9) 0.071(4) Uani 0.558(11) 1 d D U P C 1
C43B C 0.9271(11) 0.4591(10) 0.1347(8) 0.060(2) Uani 0.442(11) 1 d D U P C 2
F13B F 0.8620(7) 0.5135(10) 0.1323(3) 0.079(3) Uani 0.442(11) 1 d D U P C 2
F14B F 0.8687(10) 0.3664(9) 0.1236(4) 0.087(4) Uani 0.442(11) 1 d D U P C 2
F15B F 0.9807(18) 0.4836(19) 0.0974(10) 0.059(3) Uani 0.442(11) 1 d D U P C 2
C44 C 1.2748(3) 0.4996(4) 0.24284(18) 0.0413(10) Uani 1 1 d . . . . .
C45 C 0.9791(3) 0.6730(3) 0.31192(15) 0.0333(9) Uani 1 1 d . . . . .
C46 C 0.8930(3) 0.6886(3) 0.28285(17) 0.0384(10) Uani 1 1 d . . . . .
H46 H 0.831560 0.634892 0.274310 0.046 Uiso 1 1 calc R U . . .
C47 C 0.8931(4) 0.7793(4) 0.26591(19) 0.0465(12) Uani 1 1 d . . . . .
C48 C 0.9799(4) 0.8599(4) 0.27760(18) 0.0501(13) Uani 1 1 d . . . . .
H48 H 0.979595 0.922188 0.266141 0.060 Uiso 1 1 calc R U . . .
C49 C 1.0674(4) 0.8478(3) 0.30643(17) 0.0427(11) Uani 1 1 d . . . . .
C50 C 1.0672(3) 0.7562(3) 0.32336(16) 0.0379(10) Uani 1 1 d . . . . .
H50 H 1.128194 0.749700 0.343176 0.045 Uiso 1 1 calc R U . . .
C51 C 0.7925(11) 0.7878(8) 0.2358(5) 0.0657(17) Uani 0.587(10) 1 d D U P D 1
F19 F 0.7738(8) 0.7395(9) 0.1891(4) 0.093(3) Uani 0.587(10) 1 d D U P D 1
F20 F 0.7112(5) 0.7472(8) 0.2572(3) 0.093(3) Uani 0.587(10) 1 d D U P D 1
F21 F 0.7924(7) 0.8788(5) 0.2310(5) 0.096(3) Uani 0.587(10) 1 d D U P D 1
C51B C 0.8044(15) 0.7918(11) 0.2314(6) 0.0657(17) Uani 0.413(10) 1 d D U P D 2
F19B F 0.7409(11) 0.7114(9) 0.2028(6) 0.082(4) Uani 0.413(10) 1 d D U P D 2
F20B F 0.7493(10) 0.8265(13) 0.2596(5) 0.101(4) Uani 0.413(10) 1 d D U P D 2
F21B F 0.8251(8) 0.8567(10) 0.1970(5) 0.090(3) Uani 0.413(10) 1 d D U P D 2
C52 C 1.1601(4) 0.9358(4) 0.3208(2) 0.0545(14) Uani 1 1 d . . . . .
C53 C 0.2300(3) 0.1386(3) 0.10073(16) 0.0343(9) Uani 1 1 d . . . . .
C54 C 0.2201(3) 0.0698(3) 0.05799(16) 0.0363(9) Uani 1 1 d . . . . .
H54 H 0.244416 0.014548 0.063616 0.044 Uiso 1 1 calc R U . . .
C55 C 0.1761(4) 0.0800(4) 0.00818(17) 0.0420(10) Uani 1 1 d . . . . .
C56 C 0.1378(3) 0.1584(4) -0.00211(17) 0.0429(11) Uani 1 1 d . . . . .
H56 H 0.106608 0.164444 -0.036373 0.051 Uiso 1 1 calc R U . . .
C57 C 0.1463(3) 0.2275(4) 0.03905(17) 0.0390(10) Uani 1 1 d . . . . .
C58 C 0.1921(3) 0.2183(3) 0.08958(17) 0.0367(10) Uani 1 1 d . . . . .
H58 H 0.197660 0.267294 0.117002 0.044 Uiso 1 1 calc R U . . .
C59 C 0.1627(7) 0.0000(9) -0.0368(5) 0.0568(14) Uani 0.660(12) 1 d D U P E 1
F25 F 0.1913(10) -0.0773(6) -0.0220(3) 0.100(3) Uani 0.660(12) 1 d D U P E 1
F26 F 0.0667(5) -0.0361(7) -0.0615(3) 0.088(2) Uani 0.660(12) 1 d D U P E 1
F27 F 0.2190(7) 0.0350(7) -0.0717(3) 0.085(3) Uani 0.660(12) 1 d D U P E 1
C59B C 0.1682(12) 0.0086(14) -0.0350(8) 0.0568(14) Uani 0.340(12) 1 d D U P E 2
F25B F 0.2481(11) -0.0262(14) -0.0310(6) 0.084(4) Uani 0.340(12) 1 d D U P E 2
F26B F 0.0882(14) -0.0690(11) -0.0384(7) 0.093(4) Uani 0.340(12) 1 d D U P E 2
F27B F 0.1652(16) 0.0422(12) -0.0810(5) 0.082(4) Uani 0.340(12) 1 d D U P E 2
C60 C 0.1005(4) 0.3091(4) 0.0292(2) 0.0493(13) Uani 1 1 d . . . . .
C61 C 0.2731(3) 0.0154(3) 0.17129(16) 0.0357(9) Uani 1 1 d . . . . .
C62 C 0.3461(4) -0.0121(4) 0.20621(17) 0.0442(11) Uani 1 1 d . . . . .
H62 H 0.410368 0.035607 0.219649 0.053 Uiso 1 1 calc R U . . .
C63 C 0.3271(5) -0.1067(4) 0.22159(19) 0.0557(14) Uani 1 1 d . . . . .
C64 C 0.2329(5) -0.1795(4) 0.20404(18) 0.0566(14) Uani 1 1 d . . . . .
H64 H 0.219326 -0.243666 0.215426 0.068 Uiso 1 1 calc R U . . .
C65 C 0.1601(4) -0.1538(4) 0.16927(18) 0.0468(12) Uani 1 1 d . . . . .
C66 C 0.1792(4) -0.0596(3) 0.15348(16) 0.0406(10) Uani 1 1 d . . . . .
H66 H 0.127260 -0.044862 0.129832 0.049 Uiso 1 1 calc R U . . .
C67 C 0.4091(6) -0.1314(5) 0.2583(2) 0.080(2) Uani 1 1 d . . . . .
C68 C 0.0603(5) -0.2303(4) 0.1480(2) 0.0618(16) Uani 1 1 d . . . . .
C69 C 0.2422(3) 0.1729(3) 0.20602(16) 0.0323(9) Uani 1 1 d . . . . .
C70 C 0.3018(3) 0.2037(3) 0.25648(16) 0.0337(9) Uani 1 1 d . . . . .
H70 H 0.372401 0.208194 0.261886 0.040 Uiso 1 1 calc R U . . .
C71 C 0.2603(3) 0.2278(3) 0.29839(17) 0.0386(10) Uani 1 1 d . . . . .
C72 C 0.1580(4) 0.2227(4) 0.29245(18) 0.0419(10) Uani 1 1 d . . . . .
H72 H 0.129713 0.239404 0.321122 0.050 Uiso 1 1 calc R U . . .
C73 C 0.0983(3) 0.1925(3) 0.24332(19) 0.0398(10) Uani 1 1 d . . . . .
C74 C 0.1385(3) 0.1673(3) 0.20145(16) 0.0346(9) Uani 1 1 d . . . . .
H74 H 0.094540 0.145567 0.168530 0.042 Uiso 1 1 calc R U . . .
C75 C 0.3258(4) 0.2581(4) 0.35115(19) 0.0519(13) Uani 1 1 d . . . . .
C76 C -0.0125(9) 0.1864(7) 0.2379(4) 0.0558(13) Uani 0.692(9) 1 d D U P F 1
F40 F -0.0438(4) 0.2240(7) 0.1955(3) 0.089(2) Uani 0.692(9) 1 d D U P F 1
F41 F -0.0714(4) 0.0945(4) 0.2339(4) 0.081(2) Uani 0.692(9) 1 d D U P F 1
F42 F -0.0336(5) 0.2347(7) 0.2767(3) 0.093(2) Uani 0.692(9) 1 d D U P F 1
C76B C -0.0158(18) 0.1752(12) 0.2347(6) 0.0558(13) Uani 0.308(9) 1 d D U P F 2
F40B F -0.0672(9) 0.1421(15) 0.1861(5) 0.087(4) Uani 0.308(9) 1 d D U P F 2
F41B F -0.0617(12) 0.1141(13) 0.2663(7) 0.080(4) Uani 0.308(9) 1 d D U P F 2
F42B F -0.0377(10) 0.2568(9) 0.2446(8) 0.071(3) Uani 0.308(9) 1 d D U P F 2
C77 C 0.4098(3) 0.1911(3) 0.16160(15) 0.0356(9) Uani 1 1 d . . . . .
C78 C 0.4773(3) 0.1448(4) 0.14420(17) 0.0456(11) Uani 1 1 d . . . . .
H78 H 0.451765 0.076831 0.131072 0.055 Uiso 1 1 calc R U . . .
C79 C 0.5795(3) 0.1947(5) 0.14552(19) 0.0505(13) Uani 1 1 d . . . . .
C80 C 0.6188(3) 0.2933(5) 0.16303(19) 0.0525(14) Uani 1 1 d . . . . .
H80 H 0.689097 0.327313 0.164191 0.063 Uiso 1 1 calc R U . . .
C81 C 0.5541(3) 0.3425(4) 0.17903(17) 0.0447(12) Uani 1 1 d . . . . .
C82 C 0.4510(3) 0.2923(3) 0.17874(16) 0.0363(9) Uani 1 1 d . . . . .
H82 H 0.408261 0.327236 0.190335 0.044 Uiso 1 1 calc R U . . .
C83 C 0.6461(9) 0.1263(10) 0.1316(4) 0.072(2) Uani 0.572(7) 1 d D U P G 1
F43 F 0.6009(10) 0.0660(10) 0.0876(3) 0.080(3) Uani 0.572(7) 1 d D U P G 1
F44 F 0.7341(6) 0.1816(7) 0.1226(5) 0.110(3) Uani 0.572(7) 1 d D U P G 1
F45 F 0.6635(6) 0.0688(6) 0.1663(2) 0.082(2) Uani 0.572(7) 1 d D U P G 1
C83B C 0.6499(11) 0.1535(13) 0.1261(6) 0.072(2) Uani 0.428(7) 1 d D U P G 2
F43B F 0.6074(14) 0.0610(12) 0.1069(6) 0.092(4) Uani 0.428(7) 1 d D U P G 2
F44B F 0.6884(8) 0.1952(8) 0.0852(4) 0.089(3) Uani 0.428(7) 1 d D U P G 2
F45B F 0.7371(7) 0.1712(11) 0.1584(4) 0.090(3) Uani 0.428(7) 1 d D U P G 2
C84 C 0.5970(9) 0.4490(11) 0.1944(4) 0.0542(15) Uani 0.578(9) 1 d D U P H 1
F46 F 0.6393(8) 0.5006(5) 0.1584(3) 0.084(2) Uani 0.578(9) 1 d D U P H 1
F47 F 0.6680(9) 0.4730(9) 0.2369(4) 0.097(4) Uani 0.578(9) 1 d D U P H 1
F48 F 0.5285(5) 0.4924(6) 0.2043(5) 0.087(3) Uani 0.578(9) 1 d D U P H 1
C84B C 0.5939(11) 0.4480(14) 0.2017(6) 0.0542(15) Uani 0.422(9) 1 d D U P H 2
F46B F 0.5679(11) 0.5074(8) 0.1689(5) 0.103(4) Uani 0.422(9) 1 d D U P H 2
F47B F 0.6940(8) 0.4787(13) 0.2181(6) 0.080(4) Uani 0.422(9) 1 d D U P H 2
F48B F 0.5548(9) 0.4710(7) 0.2428(5) 0.086(3) Uani 0.422(9) 1 d D U P H 2
B1 B 0.9829(3) 0.5630(4) 0.32703(17) 0.0310(10) Uani 1 1 d . . . . .
B2 B 0.2888(4) 0.1305(4) 0.15918(19) 0.0340(10) Uani 1 1 d . . . . .
F1 F 1.1268(4) 0.7990(3) 0.50126(14) 0.0975(15) Uani 1 1 d . . . . .
F2 F 1.0672(3) 0.6904(3) 0.55162(15) 0.0830(12) Uani 1 1 d . . . . .
F3 F 1.2238(3) 0.7392(3) 0.54876(14) 0.0840(12) Uani 1 1 d . . . . .
F4 F 1.1526(3) 0.3618(3) 0.50603(12) 0.0723(10) Uani 1 1 d D . . . .
F5 F 1.2759(2) 0.4184(3) 0.46533(15) 0.0744(10) Uani 1 1 d D . . . .
F6 F 1.1348(3) 0.3166(2) 0.42489(12) 0.0589(8) Uani 1 1 d D . . . .
F16 F 1.2929(3) 0.4495(3) 0.20297(14) 0.0818(12) Uani 1 1 d . . . . .
F17 F 1.3094(2) 0.4648(3) 0.28568(12) 0.0639(9) Uani 1 1 d . . . . .
F18 F 1.3363(2) 0.5913(2) 0.24514(15) 0.0682(9) Uani 1 1 d . . . . .
F22 F 1.2462(3) 0.9127(3) 0.33474(17) 0.0948(15) Uani 1 1 d . . . . .
F23 F 1.1766(3) 0.9922(2) 0.28240(12) 0.0631(9) Uani 1 1 d . . . . .
F24 F 1.1533(4) 0.9960(3) 0.36061(15) 0.1045(16) Uani 1 1 d . . . . .
F28 F -0.0006(2) 0.2789(3) 0.02372(18) 0.0829(12) Uani 1 1 d . . . . .
F29 F 0.1191(3) 0.3476(3) -0.01563(12) 0.0686(9) Uani 1 1 d . . . . .
F30 F 0.1370(3) 0.3863(2) 0.06607(13) 0.0630(8) Uani 1 1 d . . . . .
F31 F 0.3698(4) -0.2013(3) 0.28886(17) 0.1164(18) Uani 1 1 d . . . . .
F32 F 0.4668(4) -0.1687(4) 0.23425(18) 0.1200(19) Uani 1 1 d . . . . .
F33 F 0.4670(4) -0.0557(3) 0.29168(16) 0.1033(16) Uani 1 1 d . . . . .
F34 F 0.0286(3) -0.2963(3) 0.18034(15) 0.0933(14) Uani 1 1 d . . . . .
F35 F 0.0668(4) -0.2827(4) 0.10504(17) 0.1183(19) Uani 1 1 d . . . . .
F36 F -0.0160(3) -0.1944(3) 0.13393(19) 0.0993(15) Uani 1 1 d . . . . .
F37 F 0.4206(3) 0.2567(4) 0.35377(12) 0.0871(13) Uani 1 1 d . . . . .
F38 F 0.3344(3) 0.3519(3) 0.36931(13) 0.0857(12) Uani 1 1 d . . . . .
F39 F 0.2862(3) 0.2050(3) 0.38757(11) 0.0667(9) Uani 1 1 d . . . . .
Se1 Se 0.64399(4) 0.17886(4) 0.57228(2) 0.04627(14) Uani 1 1 d . . . . .
Se2 Se 0.53064(4) 0.20030(4) 0.46233(2) 0.04678(14) Uani 1 1 d . . . . .
Se3 Se 0.69426(4) -0.02230(4) 0.52220(2) 0.05084(15) Uani 1 1 d . . . . .
Se4 Se 0.58478(4) 0.00183(4) 0.41134(2) 0.04726(14) Uani 1 1 d . . . . .
Se5 Se 0.38728(4) 0.51285(5) 0.08485(2) 0.05745(17) Uani 1 1 d . . . . .
Se6 Se 0.30836(4) 0.55143(5) -0.02856(2) 0.05587(16) Uani 1 1 d . . . . .
Se7 Se 0.43814(4) 0.30831(5) 0.03648(2) 0.05341(16) Uani 1 1 d . . . . .
Se8 Se 0.35916(4) 0.34934(5) -0.07652(2) 0.05491(16) Uani 1 1 d . . . . .
C85 C 0.925(2) 1.070(2) 0.4296(8) 0.263(7) Uani 0.598(6) 1 d D U P I 1
H85A H 0.966162 1.140836 0.435248 0.316 Uiso 0.598(6) 1 calc R U P I 1
H85B H 0.866132 1.060907 0.447766 0.316 Uiso 0.598(6) 1 calc R U P I 1
Cl1 Cl 0.8845(6) 1.0323(7) 0.3651(4) 0.226(4) Uani 0.598(6) 1 d D U P I 1
Cl2 Cl 0.9975(9) 0.9978(12) 0.4514(5) 0.315(6) Uani 0.598(6) 1 d D U P I 1
C85B C 0.912(3) 0.9820(16) 0.3782(16) 0.254(7) Uani 0.402(6) 1 d D U P I 2
H85C H 0.842967 0.982586 0.382615 0.304 Uiso 0.402(6) 1 calc R U P I 2
H85D H 0.912743 0.969036 0.340702 0.304 Uiso 0.402(6) 1 calc R U P I 2
Cl1B Cl 1.0031(13) 1.0911(12) 0.4050(7) 0.281(6) Uani 0.402(6) 1 d D U P I 2
Cl2B Cl 0.9502(10) 0.8959(10) 0.4133(6) 0.215(5) Uani 0.402(6) 1 d D U P I 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C2 1.376(7) . ?
C1 Se1 1.850(5) . ?
C1 Se2 1.861(4) . ?
C2 Se4 1.857(5) . ?
C2 Se3 1.864(4) . ?
C3 C4 1.511(8) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.347(7) . ?
C4 Se1 1.872(5) . ?
C5 C6 1.520(7) . ?
C5 Se2 1.875(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.511(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.356(7) . ?
C8 Se3 1.871(6) . ?
C9 C10 1.507(9) . ?
C9 Se4 1.877(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.381(8) . ?
C11 Se6 1.856(5) . ?
C11 Se5 1.858(5) . ?
C12 Se8 1.861(5) . ?
C12 Se7 1.861(5) . ?
C13 C14 1.492(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.367(8) . ?
C14 Se5 1.869(7) . ?
C15 C16 1.515(9) . ?
C15 Se6 1.861(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.515(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.358(7) . ?
C18 Se7 1.871(6) . ?
C19 C20 1.513(9) . ?
C19 Se8 1.870(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.386(6) . ?
C21 C26 1.401(6) . ?
C21 B1 1.652(6) . ?
C22 C23 1.408(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(7) . ?
C23 C27 1.493(7) . ?
C24 C25 1.378(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.394(6) . ?
C25 C28 1.504(7) . ?
C26 H26 0.9500 . ?
C27 F1 1.299(6) . ?
C27 F2 1.326(6) . ?
C27 F3 1.345(6) . ?
C28 F6 1.326(6) . ?
C28 F5 1.343(5) . ?
C28 F4 1.346(5) . ?
C29 C30 1.393(6) . ?
C29 C34 1.403(6) . ?
C29 B1 1.644(6) . ?
C30 C31 1.374(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.385(7) . ?
C31 C35 1.473(11) . ?
C31 C35B 1.54(3) . ?
C32 C33 1.373(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.398(6) . ?
C33 C36B 1.492(19) . ?
C33 C36 1.50(2) . ?
C34 H34 0.9500 . ?
C35 F8 1.326(9) . ?
C35 F7 1.327(9) . ?
C35 F9 1.342(9) . ?
C35B F9B 1.322(14) . ?
C35B F7B 1.328(14) . ?
C35B F8B 1.334(14) . ?
C36 F11 1.322(12) . ?
C36 F10 1.327(12) . ?
C36 F12 1.334(12) . ?
C36B F12B 1.320(12) . ?
C36B F11B 1.328(12) . ?
C36B F10B 1.346(11) . ?
C37 C42 1.402(6) . ?
C37 C38 1.410(5) . ?
C37 B1 1.624(7) . ?
C38 C39 1.381(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.383(6) . ?
C39 C43 1.513(16) . ?
C39 C43B 1.52(2) . ?
C40 C41 1.382(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.398(6) . ?
C41 C44 1.491(6) . ?
C42 H42 0.9500 . ?
C43 F15 1.325(12) . ?
C43 F14 1.336(11) . ?
C43 F13 1.340(11) . ?
C43B F14B 1.318(12) . ?
C43B F15B 1.320(12) . ?
C43B F13B 1.345(13) . ?
C44 F17 1.323(5) . ?
C44 F18 1.327(6) . ?
C44 F16 1.329(6) . ?
C45 C46 1.391(5) . ?
C45 C50 1.410(6) . ?
C45 B1 1.645(6) . ?
C46 C47 1.383(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.378(7) . ?
C47 C51B 1.47(2) . ?
C47 C51 1.529(16) . ?
C48 C49 1.383(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.395(6) . ?
C49 C52 1.490(6) . ?
C50 H50 0.9500 . ?
C51 F21 1.305(11) . ?
C51 F19 1.319(11) . ?
C51 F20 1.333(11) . ?
C51B F20B 1.317(13) . ?
C51B F21B 1.325(13) . ?
C51B F19B 1.325(13) . ?
C52 F23 1.325(5) . ?
C52 F22 1.328(7) . ?
C52 F24 1.345(7) . ?
C53 C58 1.404(6) . ?
C53 C54 1.407(6) . ?
C53 B2 1.639(6) . ?
C54 C55 1.380(6) . ?
C54 H54 0.9500 . ?
C55 C56 1.386(7) . ?
C55 C59B 1.45(2) . ?
C55 C59 1.540(14) . ?
C56 C57 1.384(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.401(6) . ?
C57 C60 1.489(7) . ?
C58 H58 0.9500 . ?
C59 F27 1.321(10) . ?
C59 F26 1.322(10) . ?
C59 F25 1.327(10) . ?
C59B F26B 1.305(14) . ?
C59B F27B 1.317(14) . ?
C59B F25B 1.331(14) . ?
C60 F28 1.323(5) . ?
C60 F30 1.341(6) . ?
C60 F29 1.351(6) . ?
C61 C62 1.408(6) . ?
C61 C66 1.414(6) . ?
C61 B2 1.640(6) . ?
C62 C63 1.386(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.400(8) . ?
C63 C67 1.501(7) . ?
C64 C65 1.390(7) . ?
C64 H64 0.9500 . ?
C65 C66 1.385(6) . ?
C65 C68 1.492(7) . ?
C66 H66 0.9500 . ?
C67 F32 1.300(9) . ?
C67 F33 1.318(7) . ?
C67 F31 1.354(8) . ?
C68 F36 1.312(8) . ?
C68 F34 1.322(6) . ?
C68 F35 1.345(7) . ?
C69 C74 1.403(5) . ?
C69 C70 1.413(6) . ?
C69 B2 1.638(7) . ?
C70 C71 1.387(6) . ?
C70 H70 0.9500 . ?
C71 C72 1.383(6) . ?
C71 C75 1.491(7) . ?
C72 C73 1.384(6) . ?
C72 H72 0.9500 . ?
C73 C74 1.382(6) . ?
C73 C76 1.498(12) . ?
C73 C76B 1.51(2) . ?
C74 H74 0.9500 . ?
C75 F37 1.311(6) . ?
C75 F39 1.334(5) . ?
C75 F38 1.356(7) . ?
C76 F42 1.312(10) . ?
C76 F41 1.312(9) . ?
C76 F40 1.320(9) . ?
C76B F42B 1.304(14) . ?
C76B F41B 1.327(14) . ?
C76B F40B 1.341(14) . ?
C77 C82 1.402(6) . ?
C77 C78 1.406(7) . ?
C77 B2 1.640(6) . ?
C78 C79 1.383(6) . ?
C78 H78 0.9500 . ?
C79 C80 1.370(8) . ?
C79 C83B 1.42(2) . ?
C79 C83 1.588(16) . ?
C80 C81 1.386(8) . ?
C80 H80 0.9500 . ?
C81 C82 1.400(6) . ?
C81 C84 1.463(16) . ?
C81 C84B 1.49(2) . ?
C82 H82 0.9500 . ?
C83 F45 1.291(11) . ?
C83 F44 1.312(11) . ?
C83 F43 1.343(11) . ?
C83B F45B 1.308(13) . ?
C83B F43B 1.310(13) . ?
C83B F44B 1.360(13) . ?
C84 F47 1.316(10) . ?
C84 F48 1.324(11) . ?
C84 F46 1.332(11) . ?
C84B F46B 1.315(13) . ?
C84B F47B 1.320(13) . ?
C84B F48B 1.347(13) . ?
C85 Cl2 1.693(15) . ?
C85 Cl1 1.696(15) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C85B Cl2B 1.716(16) . ?
C85B Cl1B 1.717(16) . ?
C85B H85C 0.9900 . ?
C85B H85D 0.9900 . ?

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
C2 C1 Se1 123.8(3) . . ?
C2 C1 Se2 121.6(3) . . ?
Se1 C1 Se2 114.6(3) . . ?
C1 C2 Se4 123.7(3) . . ?
C1 C2 Se3 121.5(4) . . ?
Se4 C2 Se3 114.7(3) . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C3 124.8(5) . . ?
C5 C4 Se1 118.0(4) . . ?
C3 C4 Se1 117.1(4) . . ?
C4 C5 C6 123.8(5) . . ?
C4 C5 Se2 118.5(4) . . ?
C6 C5 Se2 117.6(4) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C7 125.9(6) . . ?
C9 C8 Se3 119.2(4) . . ?
C7 C8 Se3 114.9(4) . . ?
C8 C9 C10 126.8(5) . . ?
C8 C9 Se4 117.4(5) . . ?
C10 C9 Se4 115.7(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Se6 122.5(4) . . ?
C12 C11 Se5 122.9(4) . . ?
Se6 C11 Se5 114.6(3) . . ?
C11 C12 Se8 122.4(3) . . ?
C11 C12 Se7 123.2(4) . . ?
Se8 C12 Se7 114.3(3) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C13 125.0(6) . . ?
C15 C14 Se5 117.7(5) . . ?
C13 C14 Se5 117.3(5) . . ?
C14 C15 C16 124.9(6) . . ?
C14 C15 Se6 118.5(5) . . ?
C16 C15 Se6 116.6(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C17 125.4(6) . . ?
C19 C18 Se7 118.9(5) . . ?
C17 C18 Se7 115.8(4) . . ?
C18 C19 C20 125.7(6) . . ?
C18 C19 Se8 117.6(5) . . ?
C20 C19 Se8 116.7(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 116.4(4) . . ?
C22 C21 B1 123.2(4) . . ?
C26 C21 B1 119.9(4) . . ?
C21 C22 C23 122.1(4) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C24 C23 C22 120.3(4) . . ?
C24 C23 C27 119.3(4) . . ?
C22 C23 C27 120.4(4) . . ?
C25 C24 C23 118.4(4) . . ?
C25 C24 H24 120.8 . . ?
C23 C24 H24 120.8 . . ?
C24 C25 C26 121.2(4) . . ?
C24 C25 C28 118.9(4) . . ?
C26 C25 C28 119.9(5) . . ?
C25 C26 C21 121.5(4) . . ?
C25 C26 H26 119.2 . . ?
C21 C26 H26 119.2 . . ?
F1 C27 F2 110.0(5) . . ?
F1 C27 F3 103.5(5) . . ?
F2 C27 F3 103.3(4) . . ?
F1 C27 C23 113.8(4) . . ?
F2 C27 C23 113.5(4) . . ?
F3 C27 C23 111.8(4) . . ?
F6 C28 F5 106.6(4) . . ?
F6 C28 F4 106.3(4) . . ?
F5 C28 F4 105.5(4) . . ?
F6 C28 C25 114.4(4) . . ?
F5 C28 C25 111.5(4) . . ?
F4 C28 C25 111.9(4) . . ?
C30 C29 C34 115.7(4) . . ?
C30 C29 B1 121.2(4) . . ?
C34 C29 B1 123.0(4) . . ?
C31 C30 C29 122.4(4) . . ?
C31 C30 H30 118.8 . . ?
C29 C30 H30 118.8 . . ?
C30 C31 C32 121.4(4) . . ?
C30 C31 C35 121.2(5) . . ?
C32 C31 C35 117.5(5) . . ?
C30 C31 C35B 116.6(7) . . ?
C32 C31 C35B 121.7(7) . . ?
C33 C32 C31 117.9(4) . . ?
C33 C32 H32 121.1 . . ?
C31 C32 H32 121.1 . . ?
C32 C33 C34 121.0(4) . . ?
C32 C33 C36B 117.1(6) . . ?
C34 C33 C36B 121.8(6) . . ?
C32 C33 C36 120.9(6) . . ?
C34 C33 C36 118.0(6) . . ?
C33 C34 C29 121.7(4) . . ?
C33 C34 H34 119.2 . . ?
C29 C34 H34 119.2 . . ?
F8 C35 F7 108.3(8) . . ?
F8 C35 F9 105.8(8) . . ?
F7 C35 F9 103.0(8) . . ?
F8 C35 C31 114.5(7) . . ?
F7 C35 C31 112.0(7) . . ?
F9 C35 C31 112.4(7) . . ?
F9B C35B F7B 101.4(16) . . ?
F9B C35B F8B 106.2(18) . . ?
F7B C35B F8B 105.2(17) . . ?
F9B C35B C31 112.1(15) . . ?
F7B C35B C31 114.6(15) . . ?
F8B C35B C31 116.1(15) . . ?
F11 C36 F10 107.7(13) . . ?
F11 C36 F12 106.2(13) . . ?
F10 C36 F12 104.4(11) . . ?
F11 C36 C33 113.0(13) . . ?
F10 C36 C33 111.7(12) . . ?
F12 C36 C33 113.2(11) . . ?
F12B C36B F11B 106.8(14) . . ?
F12B C36B F10B 104.4(11) . . ?
F11B C36B F10B 103.3(11) . . ?
F12B C36B C33 112.6(11) . . ?
F11B C36B C33 113.2(12) . . ?
F10B C36B C33 115.7(11) . . ?
C42 C37 C38 115.0(4) . . ?
C42 C37 B1 125.4(4) . . ?
C38 C37 B1 119.2(4) . . ?
C39 C38 C37 122.6(4) . . ?
C39 C38 H38 118.7 . . ?
C37 C38 H38 118.7 . . ?
C38 C39 C40 121.0(4) . . ?
C38 C39 C43 124.3(6) . . ?
C40 C39 C43 114.4(6) . . ?
C38 C39 C43B 115.0(7) . . ?
C40 C39 C43B 123.4(7) . . ?
C41 C40 C39 118.5(4) . . ?
C41 C40 H40 120.8 . . ?
C39 C40 H40 120.8 . . ?
C40 C41 C42 120.3(4) . . ?
C40 C41 C44 120.2(4) . . ?
C42 C41 C44 119.4(4) . . ?
C41 C42 C37 122.7(4) . . ?
C41 C42 H42 118.7 . . ?
C37 C42 H42 118.7 . . ?
F15 C43 F14 105.6(13) . . ?
F15 C43 F13 105.3(13) . . ?
F14 C43 F13 105.0(10) . . ?
F15 C43 C39 114.1(14) . . ?
F14 C43 C39 115.9(10) . . ?
F13 C43 C39 110.0(10) . . ?
F14B C43B F15B 109.0(16) . . ?
F14B C43B F13B 105.5(12) . . ?
F15B C43B F13B 106.8(15) . . ?
F14B C43B C39 110.0(12) . . ?
F15B C43B C39 109.0(16) . . ?
F13B C43B C39 116.4(12) . . ?
F17 C44 F18 105.1(4) . . ?
F17 C44 F16 106.9(4) . . ?
F18 C44 F16 105.8(4) . . ?
F17 C44 C41 113.0(4) . . ?
F18 C44 C41 112.6(4) . . ?
F16 C44 C41 112.8(4) . . ?
C46 C45 C50 115.5(4) . . ?
C46 C45 B1 122.8(4) . . ?
C50 C45 B1 121.4(4) . . ?
C47 C46 C45 122.6(4) . . ?
C47 C46 H46 118.7 . . ?
C45 C46 H46 118.7 . . ?
C48 C47 C46 121.0(4) . . ?
C48 C47 C51B 117.2(7) . . ?
C46 C47 C51B 121.6(7) . . ?
C48 C47 C51 121.4(6) . . ?
C46 C47 C51 117.6(6) . . ?
C47 C48 C49 118.4(4) . . ?
C47 C48 H48 120.8 . . ?
C49 C48 H48 120.8 . . ?
C48 C49 C50 120.5(4) . . ?
C48 C49 C52 118.4(4) . . ?
C50 C49 C52 121.0(4) . . ?
C49 C50 C45 121.9(4) . . ?
C49 C50 H50 119.0 . . ?
C45 C50 H50 119.0 . . ?
F21 C51 F19 109.1(12) . . ?
F21 C51 F20 105.2(11) . . ?
F19 C51 F20 105.8(11) . . ?
F21 C51 C47 113.8(9) . . ?
F19 C51 C47 108.6(10) . . ?
F20 C51 C47 114.0(9) . . ?
F20B C51B F21B 104.1(14) . . ?
F20B C51B F19B 106.4(15) . . ?
F21B C51B F19B 103.6(14) . . ?
F20B C51B C47 109.1(12) . . ?
F21B C51B C47 115.9(13) . . ?
F19B C51B C47 116.7(13) . . ?
F23 C52 F22 105.3(5) . . ?
F23 C52 F24 105.2(5) . . ?
F22 C52 F24 106.7(5) . . ?
F23 C52 C49 113.2(4) . . ?
F22 C52 C49 113.5(5) . . ?
F24 C52 C49 112.2(5) . . ?
C58 C53 C54 115.8(4) . . ?
C58 C53 B2 121.9(4) . . ?
C54 C53 B2 122.2(4) . . ?
C55 C54 C53 122.2(4) . . ?
C55 C54 H54 118.9 . . ?
C53 C54 H54 118.9 . . ?
C54 C55 C56 121.3(5) . . ?
C54 C55 C59B 120.8(8) . . ?
C56 C55 C59B 117.9(8) . . ?
C54 C55 C59 120.0(6) . . ?
C56 C55 C59 118.5(5) . . ?
C57 C56 C55 118.0(4) . . ?
C57 C56 H56 121.0 . . ?
C55 C56 H56 121.0 . . ?
C56 C57 C58 121.0(4) . . ?
C56 C57 C60 118.7(4) . . ?
C58 C57 C60 120.3(5) . . ?
C57 C58 C53 121.7(5) . . ?
C57 C58 H58 119.2 . . ?
C53 C58 H58 119.2 . . ?
F27 C59 F26 107.2(9) . . ?
F27 C59 F25 104.9(10) . . ?
F26 C59 F25 106.0(9) . . ?
F27 C59 C55 111.5(8) . . ?
F26 C59 C55 112.6(9) . . ?
F25 C59 C55 114.0(8) . . ?
F26B C59B F27B 107.4(17) . . ?
F26B C59B F25B 105.5(16) . . ?
F27B C59B F25B 102.7(15) . . ?
F26B C59B C55 112.1(14) . . ?
F27B C59B C55 115.4(15) . . ?
F25B C59B C55 112.9(14) . . ?
F28 C60 F30 108.1(5) . . ?
F28 C60 F29 104.7(4) . . ?
F30 C60 F29 104.9(4) . . ?
F28 C60 C57 112.5(4) . . ?
F30 C60 C57 113.9(4) . . ?
F29 C60 C57 112.0(5) . . ?
C62 C61 C66 115.4(4) . . ?
C62 C61 B2 122.2(4) . . ?
C66 C61 B2 121.8(4) . . ?
C63 C62 C61 122.1(5) . . ?
C63 C62 H62 119.0 . . ?
C61 C62 H62 119.0 . . ?
C62 C63 C64 121.5(4) . . ?
C62 C63 C67 119.2(5) . . ?
C64 C63 C67 119.3(5) . . ?
C65 C64 C63 117.2(5) . . ?
C65 C64 H64 121.4 . . ?
C63 C64 H64 121.4 . . ?
C66 C65 C64 121.4(5) . . ?
C66 C65 C68 119.7(5) . . ?
C64 C65 C68 118.9(5) . . ?
C65 C66 C61 122.3(4) . . ?
C65 C66 H66 118.8 . . ?
C61 C66 H66 118.8 . . ?
F32 C67 F33 109.5(7) . . ?
F32 C67 F31 104.2(6) . . ?
F33 C67 F31 104.0(5) . . ?
F32 C67 C63 112.9(5) . . ?
F33 C67 C63 113.3(5) . . ?
F31 C67 C63 112.2(7) . . ?
F36 C68 F34 105.7(6) . . ?
F36 C68 F35 105.5(5) . . ?
F34 C68 F35 105.6(5) . . ?
F36 C68 C65 114.3(5) . . ?
F34 C68 C65 114.3(5) . . ?
F35 C68 C65 110.6(5) . . ?
C74 C69 C70 115.4(4) . . ?
C74 C69 B2 123.0(4) . . ?
C70 C69 B2 120.9(4) . . ?
C71 C70 C69 122.0(4) . . ?
C71 C70 H70 119.0 . . ?
C69 C70 H70 119.0 . . ?
C72 C71 C70 121.1(4) . . ?
C72 C71 C75 118.8(4) . . ?
C70 C71 C75 120.1(4) . . ?
C71 C72 C73 117.7(4) . . ?
C71 C72 H72 121.1 . . ?
C73 C72 H72 121.1 . . ?
C74 C73 C72 121.6(4) . . ?
C74 C73 C76 121.5(5) . . ?
C72 C73 C76 116.8(5) . . ?
C74 C73 C76B 117.1(7) . . ?
C72 C73 C76B 120.9(7) . . ?
C73 C74 C69 122.1(4) . . ?
C73 C74 H74 119.0 . . ?
C69 C74 H74 119.0 . . ?
F37 C75 F39 108.3(4) . . ?
F37 C75 F38 104.7(5) . . ?
F39 C75 F38 102.9(4) . . ?
F37 C75 C71 114.8(4) . . ?
F39 C75 C71 112.9(4) . . ?
F38 C75 C71 112.4(4) . . ?
F42 C76 F41 107.2(9) . . ?
F42 C76 F40 105.7(8) . . ?
F41 C76 F40 106.4(9) . . ?
F42 C76 C73 114.0(8) . . ?
F41 C76 C73 111.7(7) . . ?
F40 C76 C73 111.3(7) . . ?
F42B C76B F41B 104.5(16) . . ?
F42B C76B F40B 103.5(16) . . ?
F41B C76B F40B 107.2(16) . . ?
F42B C76B C73 111.5(14) . . ?
F41B C76B C73 113.0(15) . . ?
F40B C76B C73 116.2(14) . . ?
C82 C77 C78 116.2(4) . . ?
C82 C77 B2 122.3(4) . . ?
C78 C77 B2 121.4(4) . . ?
C79 C78 C77 122.3(5) . . ?
C79 C78 H78 118.9 . . ?
C77 C78 H78 118.9 . . ?
C80 C79 C78 120.7(5) . . ?
C80 C79 C83B 114.3(8) . . ?
C78 C79 C83B 124.9(8) . . ?
C80 C79 C83 124.5(6) . . ?
C78 C79 C83 114.5(6) . . ?
C79 C80 C81 118.9(4) . . ?
C79 C80 H80 120.6 . . ?
C81 C80 H80 120.6 . . ?
C80 C81 C82 120.9(5) . . ?
C80 C81 C84 117.4(6) . . ?
C82 C81 C84 121.6(6) . . ?
C80 C81 C84B 121.2(7) . . ?
C82 C81 C84B 117.7(7) . . ?
C81 C82 C77 121.0(4) . . ?
C81 C82 H82 119.5 . . ?
C77 C82 H82 119.5 . . ?
F45 C83 F44 108.6(11) . . ?
F45 C83 F43 105.2(10) . . ?
F44 C83 F43 105.9(12) . . ?
F45 C83 C79 115.6(9) . . ?
F44 C83 C79 109.5(10) . . ?
F43 C83 C79 111.5(10) . . ?
F45B C83B F43B 114.9(16) . . ?
F45B C83B F44B 97.4(11) . . ?
F43B C83B F44B 101.8(14) . . ?
F45B C83B C79 113.5(13) . . ?
F43B C83B C79 112.2(14) . . ?
F44B C83B C79 115.7(13) . . ?
F47 C84 F48 104.4(11) . . ?
F47 C84 F46 105.5(10) . . ?
F48 C84 F46 103.2(10) . . ?
F47 C84 C81 114.3(10) . . ?
F48 C84 C81 113.8(9) . . ?
F46 C84 C81 114.5(9) . . ?
F46B C84B F47B 109.6(15) . . ?
F46B C84B F48B 100.8(13) . . ?
F47B C84B F48B 104.6(13) . . ?
F46B C84B C81 111.8(12) . . ?
F47B C84B C81 113.5(14) . . ?
F48B C84B C81 115.7(12) . . ?
C37 B1 C29 111.9(3) . . ?
C37 B1 C45 103.6(3) . . ?
C29 B1 C45 111.1(3) . . ?
C37 B1 C21 113.8(3) . . ?
C29 B1 C21 103.7(3) . . ?
C45 B1 C21 113.0(3) . . ?
C69 B2 C53 113.4(3) . . ?
C69 B2 C61 101.9(3) . . ?
C53 B2 C61 112.3(4) . . ?
C69 B2 C77 111.9(4) . . ?
C53 B2 C77 105.8(3) . . ?
C61 B2 C77 111.7(3) . . ?
C1 Se1 C4 94.7(2) . . ?
C1 Se2 C5 94.2(2) . . ?
C2 Se3 C8 94.0(2) . . ?
C2 Se4 C9 94.7(2) . . ?
C11 Se5 C14 94.5(3) . . ?
C11 Se6 C15 94.4(3) . . ?
C12 Se7 C18 94.3(2) . . ?
C12 Se8 C19 94.9(2) . . ?
Cl2 C85 Cl1 104.8(12) . . ?
Cl2 C85 H85A 110.8 . . ?
Cl1 C85 H85A 110.8 . . ?
Cl2 C85 H85B 110.8 . . ?
Cl1 C85 H85B 110.8 . . ?
H85A C85 H85B 108.9 . . ?
Cl2B C85B Cl1B 102.8(15) . . ?
Cl2B C85B H85C 111.2 . . ?
Cl1B C85B H85C 111.2 . . ?
Cl2B C85B H85D 111.2 . . ?
Cl1B C85B H85D 111.2 . . ?
H85C C85B H85D 109.1 . . ?

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
Se1 C1 C2 Se4 -177.2(2) . . . . ?
Se2 C1 C2 Se4 1.7(6) . . . . ?
Se1 C1 C2 Se3 0.7(6) . . . . ?
Se2 C1 C2 Se3 179.6(2) . . . . ?
C3 C4 C5 C6 -0.8(8) . . . . ?
Se1 C4 C5 C6 -179.1(4) . . . . ?
C3 C4 C5 Se2 177.2(4) . . . . ?
Se1 C4 C5 Se2 -1.0(6) . . . . ?
C7 C8 C9 C10 -0.5(10) . . . . ?
Se3 C8 C9 C10 -179.4(5) . . . . ?
C7 C8 C9 Se4 178.2(5) . . . . ?
Se3 C8 C9 Se4 -0.6(6) . . . . ?
Se6 C11 C12 Se8 -0.9(6) . . . . ?
Se5 C11 C12 Se8 178.2(2) . . . . ?
Se6 C11 C12 Se7 -177.9(2) . . . . ?
Se5 C11 C12 Se7 1.2(6) . . . . ?
C13 C14 C15 C16 -1.9(10) . . . . ?
Se5 C14 C15 C16 178.0(5) . . . . ?
C13 C14 C15 Se6 -179.6(5) . . . . ?
Se5 C14 C15 Se6 0.3(6) . . . . ?
C17 C18 C19 C20 -0.6(9) . . . . ?
Se7 C18 C19 C20 178.7(4) . . . . ?
C17 C18 C19 Se8 179.1(4) . . . . ?
Se7 C18 C19 Se8 -1.6(6) . . . . ?
C26 C21 C22 C23 0.3(6) . . . . ?
B1 C21 C22 C23 172.6(4) . . . . ?
C21 C22 C23 C24 0.1(6) . . . . ?
C21 C22 C23 C27 -179.1(4) . . . . ?
C22 C23 C24 C25 -0.4(7) . . . . ?
C27 C23 C24 C25 178.7(4) . . . . ?
C23 C24 C25 C26 0.3(7) . . . . ?
C23 C24 C25 C28 179.5(4) . . . . ?
C24 C25 C26 C21 0.0(7) . . . . ?
C28 C25 C26 C21 -179.1(4) . . . . ?
C22 C21 C26 C25 -0.4(6) . . . . ?
B1 C21 C26 C25 -172.9(4) . . . . ?
C24 C23 C27 F1 159.2(5) . . . . ?
C22 C23 C27 F1 -21.7(7) . . . . ?
C24 C23 C27 F2 -74.1(6) . . . . ?
C22 C23 C27 F2 105.1(5) . . . . ?
C24 C23 C27 F3 42.3(6) . . . . ?
C22 C23 C27 F3 -138.6(4) . . . . ?
C24 C25 C28 F6 164.6(4) . . . . ?
C26 C25 C28 F6 -16.3(6) . . . . ?
C24 C25 C28 F5 -74.4(6) . . . . ?
C26 C25 C28 F5 104.7(5) . . . . ?
C24 C25 C28 F4 43.6(6) . . . . ?
C26 C25 C28 F4 -137.3(5) . . . . ?
C34 C29 C30 C31 -2.8(6) . . . . ?
B1 C29 C30 C31 -179.2(4) . . . . ?
C29 C30 C31 C32 2.3(7) . . . . ?
C29 C30 C31 C35 -177.3(5) . . . . ?
C29 C30 C31 C35B -172.1(8) . . . . ?
C30 C31 C32 C33 0.1(7) . . . . ?
C35 C31 C32 C33 179.8(5) . . . . ?
C35B C31 C32 C33 174.3(9) . . . . ?
C31 C32 C33 C34 -1.9(7) . . . . ?
C31 C32 C33 C36B -177.8(6) . . . . ?
C31 C32 C33 C36 174.6(7) . . . . ?
C32 C33 C34 C29 1.4(6) . . . . ?
C36B C33 C34 C29 177.1(6) . . . . ?
C36 C33 C34 C29 -175.2(7) . . . . ?
C30 C29 C34 C33 0.9(6) . . . . ?
B1 C29 C34 C33 177.3(4) . . . . ?
C30 C31 C35 F8 -0.7(10) . . . . ?
C32 C31 C35 F8 179.6(6) . . . . ?
C30 C31 C35 F7 123.1(7) . . . . ?
C32 C31 C35 F7 -56.6(9) . . . . ?
C30 C31 C35 F9 -121.5(7) . . . . ?
C32 C31 C35 F9 58.8(8) . . . . ?
C30 C31 C35B F9B -71.2(15) . . . . ?
C32 C31 C35B F9B 114.4(14) . . . . ?
C30 C31 C35B F7B 174.0(12) . . . . ?
C32 C31 C35B F7B -0.4(18) . . . . ?
C30 C31 C35B F8B 51.0(16) . . . . ?
C32 C31 C35B F8B -123.4(13) . . . . ?
C32 C33 C36 F11 128.7(10) . . . . ?
C34 C33 C36 F11 -54.7(13) . . . . ?
C32 C33 C36 F10 7.1(13) . . . . ?
C34 C33 C36 F10 -176.3(9) . . . . ?
C32 C33 C36 F12 -110.5(10) . . . . ?
C34 C33 C36 F12 66.1(12) . . . . ?
C32 C33 C36B F12B -81.4(12) . . . . ?
C34 C33 C36B F12B 102.7(12) . . . . ?
C32 C33 C36B F11B 157.4(10) . . . . ?
C34 C33 C36B F11B -18.5(14) . . . . ?
C32 C33 C36B F10B 38.5(13) . . . . ?
C34 C33 C36B F10B -137.4(10) . . . . ?
C42 C37 C38 C39 -0.2(6) . . . . ?
B1 C37 C38 C39 172.2(4) . . . . ?
C37 C38 C39 C40 1.0(8) . . . . ?
C37 C38 C39 C43 174.3(7) . . . . ?
C37 C38 C39 C43B -171.1(7) . . . . ?
C38 C39 C40 C41 -0.8(7) . . . . ?
C43 C39 C40 C41 -174.8(7) . . . . ?
C43B C39 C40 C41 170.6(7) . . . . ?
C39 C40 C41 C42 -0.1(7) . . . . ?
C39 C40 C41 C44 -177.0(4) . . . . ?
C40 C41 C42 C37 0.9(7) . . . . ?
C44 C41 C42 C37 177.8(4) . . . . ?
C38 C37 C42 C41 -0.7(6) . . . . ?
B1 C37 C42 C41 -172.6(4) . . . . ?
C38 C39 C43 F15 122.4(12) . . . . ?
C40 C39 C43 F15 -63.8(14) . . . . ?
C38 C39 C43 F14 -114.6(9) . . . . ?
C40 C39 C43 F14 59.2(12) . . . . ?
C38 C39 C43 F13 4.3(13) . . . . ?
C40 C39 C43 F13 178.1(8) . . . . ?
C38 C39 C43B F14B -90.8(12) . . . . ?
C40 C39 C43B F14B 97.3(13) . . . . ?
C38 C39 C43B F15B 149.8(14) . . . . ?
C40 C39 C43B F15B -22.1(17) . . . . ?
C38 C39 C43B F13B 29.0(14) . . . . ?
C40 C39 C43B F13B -142.9(11) . . . . ?
C40 C41 C44 F17 -140.9(4) . . . . ?
C42 C41 C44 F17 42.1(6) . . . . ?
C40 C41 C44 F18 100.1(5) . . . . ?
C42 C41 C44 F18 -76.8(5) . . . . ?
C40 C41 C44 F16 -19.6(6) . . . . ?
C42 C41 C44 F16 163.5(4) . . . . ?
C50 C45 C46 C47 0.3(7) . . . . ?
B1 C45 C46 C47 -173.5(4) . . . . ?
C45 C46 C47 C48 -0.6(8) . . . . ?
C45 C46 C47 C51B 174.4(8) . . . . ?
C45 C46 C47 C51 -178.0(6) . . . . ?
C46 C47 C48 C49 0.5(8) . . . . ?
C51B C47 C48 C49 -174.6(8) . . . . ?
C51 C47 C48 C49 177.9(7) . . . . ?
C47 C48 C49 C50 -0.3(8) . . . . ?
C47 C48 C49 C52 -177.7(5) . . . . ?
C48 C49 C50 C45 0.1(8) . . . . ?
C52 C49 C50 C45 177.5(5) . . . . ?
C46 C45 C50 C49 -0.1(7) . . . . ?
B1 C45 C50 C49 173.8(4) . . . . ?
C48 C47 C51 F21 -11.5(14) . . . . ?
C46 C47 C51 F21 166.0(10) . . . . ?
C48 C47 C51 F19 110.3(10) . . . . ?
C46 C47 C51 F19 -72.3(11) . . . . ?
C48 C47 C51 F20 -132.1(9) . . . . ?
C46 C47 C51 F20 45.3(12) . . . . ?
C48 C47 C51B F20B -87.6(13) . . . . ?
C46 C47 C51B F20B 97.3(13) . . . . ?
C48 C47 C51B F21B 29.4(16) . . . . ?
C46 C47 C51B F21B -145.7(12) . . . . ?
C48 C47 C51B F19B 151.9(12) . . . . ?
C46 C47 C51B F19B -23.2(17) . . . . ?
C48 C49 C52 F23 -41.8(8) . . . . ?
C50 C49 C52 F23 140.8(5) . . . . ?
C48 C49 C52 F22 -161.7(5) . . . . ?
C50 C49 C52 F22 20.9(7) . . . . ?
C48 C49 C52 F24 77.2(6) . . . . ?
C50 C49 C52 F24 -100.2(6) . . . . ?
C58 C53 C54 C55 0.2(6) . . . . ?
B2 C53 C54 C55 -175.9(4) . . . . ?
C53 C54 C55 C56 -1.1(7) . . . . ?
C53 C54 C55 C59B 179.3(8) . . . . ?
C53 C54 C55 C59 -177.2(5) . . . . ?
C54 C55 C56 C57 1.1(7) . . . . ?
C59B C55 C56 C57 -179.3(8) . . . . ?
C59 C55 C56 C57 177.2(5) . . . . ?
C55 C56 C57 C58 -0.1(7) . . . . ?
C55 C56 C57 C60 -176.7(4) . . . . ?
C56 C57 C58 C53 -0.8(6) . . . . ?
C60 C57 C58 C53 175.8(4) . . . . ?
C54 C53 C58 C57 0.8(6) . . . . ?
B2 C53 C58 C57 176.9(4) . . . . ?
C54 C55 C59 F27 -115.1(9) . . . . ?
C56 C55 C59 F27 68.7(10) . . . . ?
C54 C55 C59 F26 124.3(9) . . . . ?
C56 C55 C59 F26 -51.9(10) . . . . ?
C54 C55 C59 F25 3.5(11) . . . . ?
C56 C55 C59 F25 -172.7(8) . . . . ?
C54 C55 C59B F26B 82.9(16) . . . . ?
C56 C55 C59B F26B -96.7(16) . . . . ?
C54 C55 C59B F27B -153.7(13) . . . . ?
C56 C55 C59B F27B 26.7(17) . . . . ?
C54 C55 C59B F25B -36.0(17) . . . . ?
C56 C55 C59B F25B 144.4(12) . . . . ?
C56 C57 C60 F28 74.9(6) . . . . ?
C58 C57 C60 F28 -101.7(5) . . . . ?
C56 C57 C60 F30 -161.6(4) . . . . ?
C58 C57 C60 F30 21.7(6) . . . . ?
C56 C57 C60 F29 -42.8(6) . . . . ?
C58 C57 C60 F29 140.6(4) . . . . ?
C66 C61 C62 C63 0.5(7) . . . . ?
B2 C61 C62 C63 171.4(5) . . . . ?
C61 C62 C63 C64 -1.5(8) . . . . ?
C61 C62 C63 C67 179.0(5) . . . . ?
C62 C63 C64 C65 1.8(8) . . . . ?
C67 C63 C64 C65 -178.6(6) . . . . ?
C63 C64 C65 C66 -1.3(8) . . . . ?
C63 C64 C65 C68 177.7(5) . . . . ?
C64 C65 C66 C61 0.4(8) . . . . ?
C68 C65 C66 C61 -178.6(5) . . . . ?
C62 C61 C66 C65 0.0(7) . . . . ?
B2 C61 C66 C65 -170.9(5) . . . . ?
C62 C63 C67 F32 -92.7(7) . . . . ?
C64 C63 C67 F32 87.8(8) . . . . ?
C62 C63 C67 F33 32.5(10) . . . . ?
C64 C63 C67 F33 -147.0(6) . . . . ?
C62 C63 C67 F31 149.9(6) . . . . ?
C64 C63 C67 F31 -29.6(9) . . . . ?
C66 C65 C68 F36 -27.3(8) . . . . ?
C64 C65 C68 F36 153.7(5) . . . . ?
C66 C65 C68 F34 -149.3(6) . . . . ?
C64 C65 C68 F34 31.7(8) . . . . ?
C66 C65 C68 F35 91.6(7) . . . . ?
C64 C65 C68 F35 -87.4(6) . . . . ?
C74 C69 C70 C71 -0.6(6) . . . . ?
B2 C69 C70 C71 -171.5(4) . . . . ?
C69 C70 C71 C72 -0.2(7) . . . . ?
C69 C70 C71 C75 178.8(4) . . . . ?
C70 C71 C72 C73 0.3(7) . . . . ?
C75 C71 C72 C73 -178.8(4) . . . . ?
C71 C72 C73 C74 0.5(7) . . . . ?
C71 C72 C73 C76 179.3(5) . . . . ?
C71 C72 C73 C76B 173.7(8) . . . . ?
C72 C73 C74 C69 -1.4(7) . . . . ?
C76 C73 C74 C69 179.9(5) . . . . ?
C76B C73 C74 C69 -174.9(8) . . . . ?
C70 C69 C74 C73 1.4(6) . . . . ?
B2 C69 C74 C73 172.0(4) . . . . ?
C72 C71 C75 F37 177.1(5) . . . . ?
C70 C71 C75 F37 -1.9(7) . . . . ?
C72 C71 C75 F39 52.4(7) . . . . ?
C70 C71 C75 F39 -126.7(5) . . . . ?
C72 C71 C75 F38 -63.4(6) . . . . ?
C70 C71 C75 F38 117.5(5) . . . . ?
C74 C73 C76 F42 -164.2(7) . . . . ?
C72 C73 C76 F42 17.1(10) . . . . ?
C74 C73 C76 F41 74.2(9) . . . . ?
C72 C73 C76 F41 -104.6(8) . . . . ?
C74 C73 C76 F40 -44.7(10) . . . . ?
C72 C73 C76 F40 136.6(7) . . . . ?
C74 C73 C76B F42B -122.0(13) . . . . ?
C72 C73 C76B F42B 64.5(16) . . . . ?
C74 C73 C76B F41B 120.7(14) . . . . ?
C72 C73 C76B F41B -52.8(17) . . . . ?
C74 C73 C76B F40B -3.8(16) . . . . ?
C72 C73 C76B F40B -177.3(12) . . . . ?
C82 C77 C78 C79 2.3(6) . . . . ?
B2 C77 C78 C79 179.5(4) . . . . ?
C77 C78 C79 C80 -1.5(7) . . . . ?
C77 C78 C79 C83B -176.6(8) . . . . ?
C77 C78 C79 C83 171.9(6) . . . . ?
C78 C79 C80 C81 -0.5(7) . . . . ?
C83B C79 C80 C81 175.1(7) . . . . ?
C83 C79 C80 C81 -173.3(6) . . . . ?
C79 C80 C81 C82 1.7(7) . . . . ?
C79 C80 C81 C84 -176.3(6) . . . . ?
C79 C80 C81 C84B 176.0(7) . . . . ?
C80 C81 C82 C77 -0.9(6) . . . . ?
C84 C81 C82 C77 177.0(6) . . . . ?
C84B C81 C82 C77 -175.4(7) . . . . ?
C78 C77 C82 C81 -1.1(6) . . . . ?
B2 C77 C82 C81 -178.3(4) . . . . ?
C80 C79 C83 F45 102.2(10) . . . . ?
C78 C79 C83 F45 -70.9(10) . . . . ?
C80 C79 C83 F44 -20.8(12) . . . . ?
C78 C79 C83 F44 166.0(8) . . . . ?
C80 C79 C83 F43 -137.7(9) . . . . ?
C78 C79 C83 F43 49.2(11) . . . . ?
C80 C79 C83B F45B 51.6(14) . . . . ?
C78 C79 C83B F45B -133.0(11) . . . . ?
C80 C79 C83B F43B -176.1(10) . . . . ?
C78 C79 C83B F43B -0.7(16) . . . . ?
C80 C79 C83B F44B -59.8(13) . . . . ?
C78 C79 C83B F44B 115.6(11) . . . . ?
C80 C81 C84 F47 -66.4(12) . . . . ?
C82 C81 C84 F47 115.6(10) . . . . ?
C80 C81 C84 F48 173.8(8) . . . . ?
C82 C81 C84 F48 -4.2(11) . . . . ?
C80 C81 C84 F46 55.5(11) . . . . ?
C82 C81 C84 F46 -122.5(9) . . . . ?
C80 C81 C84B F46B 106.4(12) . . . . ?
C82 C81 C84B F46B -79.1(13) . . . . ?
C80 C81 C84B F47B -18.2(15) . . . . ?
C82 C81 C84B F47B 156.3(10) . . . . ?
C80 C81 C84B F48B -139.0(10) . . . . ?
C82 C81 C84B F48B 35.4(13) . . . . ?
C42 C37 B1 C29 -139.2(4) . . . . ?
C38 C37 B1 C29 49.2(5) . . . . ?
C42 C37 B1 C45 101.0(4) . . . . ?
C38 C37 B1 C45 -70.6(5) . . . . ?
C42 C37 B1 C21 -22.1(6) . . . . ?
C38 C37 B1 C21 166.4(4) . . . . ?
C30 C29 B1 C37 -155.1(4) . . . . ?
C34 C29 B1 C37 28.7(5) . . . . ?
C30 C29 B1 C45 -39.9(5) . . . . ?
C34 C29 B1 C45 143.9(4) . . . . ?
C30 C29 B1 C21 81.8(4) . . . . ?
C34 C29 B1 C21 -94.4(4) . . . . ?
C46 C45 B1 C37 91.5(5) . . . . ?
C50 C45 B1 C37 -82.0(5) . . . . ?
C46 C45 B1 C29 -28.8(6) . . . . ?
C50 C45 B1 C29 157.6(4) . . . . ?
C46 C45 B1 C21 -144.9(4) . . . . ?
C50 C45 B1 C21 41.6(5) . . . . ?
C22 C21 B1 C37 143.8(4) . . . . ?
C26 C21 B1 C37 -44.2(5) . . . . ?
C22 C21 B1 C29 -94.3(4) . . . . ?
C26 C21 B1 C29 77.6(5) . . . . ?
C22 C21 B1 C45 26.1(5) . . . . ?
C26 C21 B1 C45 -161.9(4) . . . . ?
C74 C69 B2 C53 32.0(6) . . . . ?
C70 C69 B2 C53 -157.8(4) . . . . ?
C74 C69 B2 C61 -88.9(4) . . . . ?
C70 C69 B2 C61 81.3(4) . . . . ?
C74 C69 B2 C77 151.6(4) . . . . ?
C70 C69 B2 C77 -38.2(5) . . . . ?
C58 C53 B2 C69 35.4(5) . . . . ?
C54 C53 B2 C69 -148.7(4) . . . . ?
C58 C53 B2 C61 150.3(4) . . . . ?
C54 C53 B2 C61 -33.9(5) . . . . ?
C58 C53 B2 C77 -87.7(5) . . . . ?
C54 C53 B2 C77 88.2(5) . . . . ?
C62 C61 B2 C69 -86.3(5) . . . . ?
C66 C61 B2 C69 84.0(5) . . . . ?
C62 C61 B2 C53 152.0(4) . . . . ?
C66 C61 B2 C53 -37.7(6) . . . . ?
C62 C61 B2 C77 33.3(6) . . . . ?
C66 C61 B2 C77 -156.3(4) . . . . ?
C82 C77 B2 C69 -33.5(5) . . . . ?
C78 C77 B2 C69 149.5(4) . . . . ?
C82 C77 B2 C53 90.6(5) . . . . ?
C78 C77 B2 C53 -86.5(5) . . . . ?
C82 C77 B2 C61 -147.0(4) . . . . ?
C78 C77 B2 C61 36.0(5) . . . . ?
C2 C1 Se1 C4 177.3(4) . . . . ?
Se2 C1 Se1 C4 -1.7(3) . . . . ?
C5 C4 Se1 C1 1.7(4) . . . . ?
C3 C4 Se1 C1 -176.7(4) . . . . ?
C2 C1 Se2 C5 -177.8(4) . . . . ?
Se1 C1 Se2 C5 1.3(3) . . . . ?
C4 C5 Se2 C1 -0.2(4) . . . . ?
C6 C5 Se2 C1 178.0(4) . . . . ?
C1 C2 Se3 C8 -176.8(4) . . . . ?
Se4 C2 Se3 C8 1.3(3) . . . . ?
C9 C8 Se3 C2 -0.4(5) . . . . ?
C7 C8 Se3 C2 -179.4(4) . . . . ?
C1 C2 Se4 C9 176.5(4) . . . . ?
Se3 C2 Se4 C9 -1.5(3) . . . . ?
C8 C9 Se4 C2 1.3(5) . . . . ?
C10 C9 Se4 C2 -179.8(4) . . . . ?
C12 C11 Se5 C14 -174.9(4) . . . . ?
Se6 C11 Se5 C14 4.3(3) . . . . ?
C15 C14 Se5 C11 -2.8(5) . . . . ?
C13 C14 Se5 C11 177.1(5) . . . . ?
C12 C11 Se6 C15 175.0(4) . . . . ?
Se5 C11 Se6 C15 -4.2(3) . . . . ?
C14 C15 Se6 C11 2.4(5) . . . . ?
C16 C15 Se6 C11 -175.5(5) . . . . ?
C11 C12 Se7 C18 177.9(4) . . . . ?
Se8 C12 Se7 C18 0.7(3) . . . . ?
C19 C18 Se7 C12 0.6(5) . . . . ?
C17 C18 Se7 C12 180.0(4) . . . . ?
C11 C12 Se8 C19 -178.5(4) . . . . ?
Se7 C12 Se8 C19 -1.3(3) . . . . ?
C18 C19 Se8 C12 1.8(4) . . . . ?
C20 C19 Se8 C12 -178.5(4) . . . . ?

_refine_diff_density_max         2.729
_refine_diff_density_min         -2.150
_refine_diff_density_rms         0.109



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RS154A_0m
_database_code_depnum_ccdc_archive 'CCDC 2011369'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H12 B F24, C10 H12 Se4'
_chemical_formula_sum            'C42 H24 B F24 Se4'
_chemical_formula_weight         1311.26

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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4486(3)
_cell_length_b                   14.0122(4)
_cell_length_c                   15.7753(4)
_cell_angle_alpha                89.0360(10)
_cell_angle_beta                 83.4010(10)
_cell_angle_gamma                81.2060(10)
_cell_volume                     2267.35(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9036
_cell_measurement_theta_min      2.6439
_cell_measurement_theta_max      33.1243

_exptl_crystal_description       rod
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_F_000             1266
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    3.368
_shelx_estimated_absorpt_T_min   0.412
_shelx_estimated_absorpt_T_max   0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5978
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_measurement_device_type  
;
Bruker AXS D8 Quest diffractometer with PhotonII charge-integrating pixel 
array detector (CPAD)
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_reflns_number            114138
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.494
_diffrn_reflns_theta_max         33.204
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             17310
_reflns_number_gt                12660
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 v2019.1-0 (Bruker, 2019)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev1030 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
One CF3 group was refined as rotationally disordered. The two disordered 
moieties were restrained to have similar geometries as another not disordered 
CF3 group. Uij components of ADPs for disordered atoms closer to each other 
than 2.0 Angstrom were restrained to be similar. Subject to these conditions 
the occupancy ratio refined to 0.709(4) to 0.291(4). 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0338P)²+1.6773P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0024(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         17310
_refine_ls_number_parameters     676
_refine_ls_number_restraints     132
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.0827
_refine_ls_wR_factor_gt          0.0737
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.34282(16) 0.07834(13) 0.08187(11) 0.0213(3) Uani 1 1 d . . . . .
C2 C 0.35302(16) -0.01276(13) 0.04696(11) 0.0205(3) Uani 1 1 d . . . . .
C3 C 0.3606(2) 0.29192(17) 0.25999(14) 0.0345(4) Uani 1 1 d . . . . .
H3A H 0.432072 0.329264 0.245333 0.052 Uiso 1 1 calc R U . . .
H3B H 0.381492 0.247571 0.306848 0.052 Uiso 1 1 calc R U . . .
H3C H 0.280077 0.335995 0.277686 0.052 Uiso 1 1 calc R U . . .
C4 C 0.34248(18) 0.23493(14) 0.18326(12) 0.0259(3) Uani 1 1 d . . . . .
C5 C 0.29096(18) 0.27285(14) 0.11358(13) 0.0268(4) Uani 1 1 d . . . . .
C6 C 0.2429(2) 0.37841(15) 0.10033(16) 0.0369(5) Uani 1 1 d . . . . .
H6A H 0.302467 0.417283 0.122053 0.055 Uiso 1 1 calc R U . . .
H6B H 0.155551 0.395528 0.131034 0.055 Uiso 1 1 calc R U . . .
H6C H 0.239411 0.391090 0.039292 0.055 Uiso 1 1 calc R U . . .
C7 C 0.4244(2) -0.31312(14) 0.03692(13) 0.0316(4) Uani 1 1 d . . . . .
H7A H 0.397982 -0.351967 -0.007226 0.047 Uiso 1 1 calc R U . . .
H7B H 0.382773 -0.329841 0.092923 0.047 Uiso 1 1 calc R U . . .
H7C H 0.519337 -0.326229 0.036432 0.047 Uiso 1 1 calc R U . . .
C8 C 0.38318(18) -0.20787(13) 0.01951(11) 0.0237(3) Uani 1 1 d . . . . .
C9 C 0.33093(17) -0.16880(13) -0.04959(11) 0.0225(3) Uani 1 1 d . . . . .
C10 C 0.2997(2) -0.22180(15) -0.12450(13) 0.0301(4) Uani 1 1 d . . . . .
H10A H 0.358169 -0.209136 -0.175205 0.045 Uiso 1 1 calc R U . . .
H10B H 0.209174 -0.199639 -0.134660 0.045 Uiso 1 1 calc R U . . .
H10C H 0.311390 -0.291266 -0.112614 0.045 Uiso 1 1 calc R U . . .
C11 C 0.18240(17) 0.59444(12) 0.36895(10) 0.0194(3) Uani 1 1 d . . . . .
C12 C 0.25862(18) 0.53808(13) 0.42477(11) 0.0229(3) Uani 1 1 d . . . . .
H12 H 0.331935 0.561571 0.442461 0.027 Uiso 1 1 calc R U . . .
C13 C 0.22994(19) 0.44901(13) 0.45485(11) 0.0249(3) Uani 1 1 d . . . . .
C14 C 0.1258(2) 0.41109(13) 0.42929(12) 0.0273(4) Uani 1 1 d . . . . .
H14 H 0.106954 0.349903 0.449394 0.033 Uiso 1 1 calc R U . . .
C15 C 0.04971(19) 0.46447(13) 0.37373(12) 0.0251(3) Uani 1 1 d . . . . .
C16 C 0.07597(17) 0.55561(13) 0.34563(11) 0.0220(3) Uani 1 1 d . . . . .
H16 H 0.019801 0.592089 0.309676 0.026 Uiso 1 1 calc R U . . .
C17 C 0.3165(3) 0.39038(16) 0.51157(15) 0.0405(5) Uani 1 1 d . . . . .
C18 C -0.0555(2) 0.42159(16) 0.33868(15) 0.0347(4) Uani 1 1 d . . . . .
C19 C 0.14752(16) 0.74783(12) 0.25852(10) 0.0188(3) Uani 1 1 d . . . . .
C20 C 0.13005(17) 0.69158(12) 0.18933(11) 0.0207(3) Uani 1 1 d . . . . .
H20 H 0.156066 0.623664 0.191373 0.025 Uiso 1 1 calc R U . . .
C21 C 0.07593(17) 0.73164(13) 0.11768(11) 0.0215(3) Uani 1 1 d . . . . .
C22 C 0.03975(16) 0.83059(13) 0.11042(11) 0.0213(3) Uani 1 1 d . . . . .
H22 H 0.003078 0.858104 0.061551 0.026 Uiso 1 1 calc R U . . .
C23 C 0.05926(16) 0.88814(12) 0.17757(11) 0.0196(3) Uani 1 1 d . . . . .
C24 C 0.11025(16) 0.84768(12) 0.24996(10) 0.0196(3) Uani 1 1 d . . . . .
H24 H 0.120157 0.889048 0.295074 0.024 Uiso 1 1 calc R U . . .
C25 C 0.0507(2) 0.66603(14) 0.04991(12) 0.0274(4) Uani 1 1 d . . . . .
C26 C 0.01857(17) 0.99526(13) 0.17317(11) 0.0219(3) Uani 1 1 d D . . . .
C27 C 0.37641(16) 0.68857(12) 0.30404(10) 0.0187(3) Uani 1 1 d . . . . .
C28 C 0.43988(17) 0.60324(12) 0.26406(11) 0.0212(3) Uani 1 1 d . . . . .
H28 H 0.393343 0.550282 0.262126 0.025 Uiso 1 1 calc R U . . .
C29 C 0.56847(18) 0.59297(13) 0.22704(11) 0.0231(3) Uani 1 1 d . . . . .
C30 C 0.64160(18) 0.66720(14) 0.22952(12) 0.0254(3) Uani 1 1 d . . . . .
H30 H 0.730061 0.659830 0.205239 0.030 Uiso 1 1 calc R U . . .
C31 C 0.58083(18) 0.75271(13) 0.26880(12) 0.0242(3) Uani 1 1 d . . . . .
C32 C 0.45142(18) 0.76384(12) 0.30429(11) 0.0215(3) Uani 1 1 d . . . . .
H32 H 0.412463 0.823973 0.329446 0.026 Uiso 1 1 calc R U . . .
C33 C 0.6258(2) 0.49998(15) 0.18359(13) 0.0316(4) Uani 1 1 d . . . . .
C35 C 0.17984(17) 0.76830(12) 0.42485(10) 0.0198(3) Uani 1 1 d . . . . .
C36 C 0.26891(18) 0.78514(13) 0.48049(11) 0.0231(3) Uani 1 1 d . . . . .
H36 H 0.358368 0.759596 0.466769 0.028 Uiso 1 1 calc R U . . .
C37 C 0.23068(19) 0.83809(14) 0.55528(11) 0.0263(4) Uani 1 1 d . . . . .
C38 C 0.10133(19) 0.87466(14) 0.57907(12) 0.0269(4) Uani 1 1 d . . . . .
H38 H 0.075428 0.910546 0.630360 0.032 Uiso 1 1 calc R U . . .
C39 C 0.01005(18) 0.85743(13) 0.52579(12) 0.0235(3) Uani 1 1 d . . . . .
C40 C 0.04865(17) 0.80552(12) 0.45025(11) 0.0216(3) Uani 1 1 d . . . . .
H40 H -0.015587 0.794976 0.414900 0.026 Uiso 1 1 calc R U . . .
C41 C 0.3320(2) 0.8513(2) 0.61205(14) 0.0417(5) Uani 1 1 d . . . . .
C42 C -0.1309(2) 0.89246(14) 0.55252(14) 0.0308(4) Uani 1 1 d . . . . .
B1 B 0.21997(19) 0.70071(13) 0.33966(12) 0.0188(3) Uani 1 1 d . . . . .
F1 F 0.38225(17) 0.44224(12) 0.55574(11) 0.0575(4) Uani 1 1 d . . . . .
F2 F 0.2506(2) 0.34032(16) 0.56887(14) 0.0895(8) Uani 1 1 d . . . . .
F3 F 0.4038(3) 0.32692(18) 0.46839(14) 0.1167(11) Uani 1 1 d . . . . .
F4 F -0.1469(2) 0.48773(14) 0.31258(18) 0.0912(8) Uani 1 1 d . . . . .
F5 F -0.11844(19) 0.36896(14) 0.39395(11) 0.0676(5) Uani 1 1 d . . . . .
F6 F -0.0096(2) 0.36557(18) 0.27316(13) 0.0893(8) Uani 1 1 d . . . . .
F7 F -0.10555(11) 1.02206(8) 0.20571(8) 0.0318(2) Uani 1 1 d D . . . .
F8 F 0.09028(12) 1.04468(8) 0.21615(8) 0.0343(3) Uani 1 1 d D . . . .
F9 F 0.02720(12) 1.02919(8) 0.09265(7) 0.0316(2) Uani 1 1 d D . . . .
F10 F 0.14546(17) 0.59080(11) 0.03495(10) 0.0572(5) Uani 1 1 d . . . . .
F11 F -0.06057(17) 0.63035(13) 0.07006(10) 0.0601(5) Uani 1 1 d . . . . .
F12 F 0.03856(14) 0.70922(10) -0.02538(7) 0.0393(3) Uani 1 1 d . . . . .
F13 F 0.63626(14) 0.42510(9) 0.23718(9) 0.0418(3) Uani 1 1 d . . . . .
F14 F 0.54942(16) 0.47628(11) 0.12596(10) 0.0550(4) Uani 1 1 d . . . . .
F15 F 0.74356(15) 0.50043(11) 0.14182(11) 0.0562(4) Uani 1 1 d . . . . .
C34 C 0.6574(6) 0.8349(5) 0.2685(3) 0.0319(8) Uani 0.709(4) 1 d D U P A 1
F16 F 0.7373(3) 0.83968(18) 0.19592(16) 0.0568(8) Uani 0.709(4) 1 d D U P A 1
F17 F 0.5822(2) 0.92081(16) 0.2717(2) 0.0518(7) Uani 0.709(4) 1 d D U P A 1
F18 F 0.7298(4) 0.8290(2) 0.3306(2) 0.0773(14) Uani 0.709(4) 1 d D U P A 1
C34B C 0.6607(15) 0.8320(12) 0.2854(8) 0.0319(8) Uani 0.291(4) 1 d D U P A 2
F16B F 0.7862(6) 0.8016(5) 0.2792(6) 0.070(2) Uani 0.291(4) 1 d D U P A 2
F17B F 0.6458(10) 0.8993(5) 0.2271(5) 0.074(2) Uani 0.291(4) 1 d D U P A 2
F18B F 0.6294(7) 0.8757(5) 0.3601(4) 0.066(2) Uani 0.291(4) 1 d D U P A 2
F19 F 0.44339(15) 0.86669(15) 0.56988(11) 0.0649(5) Uani 1 1 d . . . . .
F20 F 0.3635(2) 0.77172(17) 0.65877(13) 0.0837(7) Uani 1 1 d . . . . .
F21 F 0.29437(16) 0.92255(16) 0.66761(12) 0.0750(6) Uani 1 1 d . . . . .
F22 F -0.15215(13) 0.97687(9) 0.59340(9) 0.0409(3) Uani 1 1 d . . . . .
F23 F -0.20201(15) 0.90485(16) 0.48815(11) 0.0722(6) Uani 1 1 d . . . . .
F24 F -0.18381(17) 0.83192(11) 0.60771(14) 0.0762(7) Uani 1 1 d . . . . .
Se1 Se 0.39377(2) 0.10095(2) 0.18784(2) 0.02381(4) Uani 1 1 d . . . . .
Se2 Se 0.27380(2) 0.18840(2) 0.02579(2) 0.02503(5) Uani 1 1 d . . . . .
Se3 Se 0.41635(2) -0.12429(2) 0.10409(2) 0.02296(4) Uani 1 1 d . . . . .
Se4 Se 0.29630(2) -0.03324(2) -0.05763(2) 0.02143(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C2 1.383(2) . ?
C1 Se2 1.8553(18) . ?
C1 Se1 1.8580(17) . ?
C2 Se4 1.8569(17) . ?
C2 Se3 1.8617(17) . ?
C3 C4 1.507(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.345(3) . ?
C4 Se1 1.8745(19) . ?
C5 C6 1.507(3) . ?
C5 Se2 1.8782(19) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.502(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.346(3) . ?
C8 Se3 1.8856(18) . ?
C9 C10 1.499(3) . ?
C9 Se4 1.8834(18) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C16 1.398(2) . ?
C11 C12 1.407(2) . ?
C11 B1 1.643(2) . ?
C12 C13 1.391(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.383(3) . ?
C13 C17 1.493(3) . ?
C14 C15 1.384(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.401(2) . ?
C15 C18 1.493(3) . ?
C16 H16 0.9500 . ?
C17 F3 1.310(3) . ?
C17 F1 1.328(3) . ?
C17 F2 1.329(3) . ?
C18 F6 1.309(3) . ?
C18 F5 1.316(3) . ?
C18 F4 1.322(3) . ?
C19 C20 1.402(2) . ?
C19 C24 1.402(2) . ?
C19 B1 1.640(2) . ?
C20 C21 1.393(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(2) . ?
C21 C25 1.493(2) . ?
C22 C23 1.394(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(2) . ?
C23 C26 1.499(2) . ?
C24 H24 0.9500 . ?
C25 F12 1.334(2) . ?
C25 F10 1.335(2) . ?
C25 F11 1.338(2) . ?
C26 F7 1.338(2) . ?
C26 F8 1.339(2) . ?
C26 F9 1.347(2) . ?
C27 C28 1.398(2) . ?
C27 C32 1.407(2) . ?
C27 B1 1.650(3) . ?
C28 C29 1.389(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(3) . ?
C29 C33 1.491(3) . ?
C30 C31 1.387(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.389(3) . ?
C31 C34 1.499(7) . ?
C31 C34B 1.531(19) . ?
C32 H32 0.9500 . ?
C33 F15 1.328(2) . ?
C33 F13 1.336(3) . ?
C33 F14 1.354(2) . ?
C35 C36 1.398(2) . ?
C35 C40 1.405(2) . ?
C35 B1 1.634(2) . ?
C36 C37 1.390(2) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(3) . ?
C37 C41 1.497(3) . ?
C38 C39 1.391(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.393(2) . ?
C39 C42 1.494(3) . ?
C40 H40 0.9500 . ?
C41 F19 1.318(3) . ?
C41 F21 1.323(3) . ?
C41 F20 1.345(3) . ?
C42 F23 1.319(3) . ?
C42 F22 1.333(2) . ?
C42 F24 1.338(3) . ?
C34 F18 1.299(5) . ?
C34 F17 1.331(6) . ?
C34 F16 1.344(6) . ?
C34B F16B 1.309(14) . ?
C34B F17B 1.310(13) . ?
C34B F18B 1.321(13) . ?

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
C2 C1 Se2 121.82(13) . . ?
C2 C1 Se1 123.52(13) . . ?
Se2 C1 Se1 114.65(9) . . ?
C1 C2 Se4 122.46(13) . . ?
C1 C2 Se3 122.37(13) . . ?
Se4 C2 Se3 115.09(9) . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C3 124.96(18) . . ?
C5 C4 Se1 118.53(14) . . ?
C3 C4 Se1 116.51(15) . . ?
C4 C5 C6 125.28(18) . . ?
C4 C5 Se2 118.12(14) . . ?
C6 C5 Se2 116.59(15) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C7 127.29(17) . . ?
C9 C8 Se3 118.41(14) . . ?
C7 C8 Se3 114.25(13) . . ?
C8 C9 C10 126.93(17) . . ?
C8 C9 Se4 118.36(14) . . ?
C10 C9 Se4 114.68(13) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 115.98(16) . . ?
C16 C11 B1 125.24(15) . . ?
C12 C11 B1 118.73(15) . . ?
C13 C12 C11 122.02(17) . . ?
C13 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
C14 C13 C12 120.92(17) . . ?
C14 C13 C17 119.02(18) . . ?
C12 C13 C17 119.96(19) . . ?
C13 C14 C15 118.39(17) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 H14 120.8 . . ?
C14 C15 C16 120.70(17) . . ?
C14 C15 C18 119.57(17) . . ?
C16 C15 C18 119.59(17) . . ?
C11 C16 C15 121.93(16) . . ?
C11 C16 H16 119.0 . . ?
C15 C16 H16 119.0 . . ?
F3 C17 F1 106.2(2) . . ?
F3 C17 F2 106.0(2) . . ?
F1 C17 F2 105.9(2) . . ?
F3 C17 C13 111.8(2) . . ?
F1 C17 C13 113.99(18) . . ?
F2 C17 C13 112.3(2) . . ?
F6 C18 F5 106.4(2) . . ?
F6 C18 F4 106.7(2) . . ?
F5 C18 F4 104.9(2) . . ?
F6 C18 C15 111.67(19) . . ?
F5 C18 C15 113.97(19) . . ?
F4 C18 C15 112.68(18) . . ?
C20 C19 C24 115.58(15) . . ?
C20 C19 B1 121.89(14) . . ?
C24 C19 B1 122.27(14) . . ?
C21 C20 C19 122.40(16) . . ?
C21 C20 H20 118.8 . . ?
C19 C20 H20 118.8 . . ?
C22 C21 C20 121.11(16) . . ?
C22 C21 C25 119.79(16) . . ?
C20 C21 C25 119.03(16) . . ?
C21 C22 C23 117.45(15) . . ?
C21 C22 H22 121.3 . . ?
C23 C22 H22 121.3 . . ?
C24 C23 C22 121.26(16) . . ?
C24 C23 C26 119.54(15) . . ?
C22 C23 C26 119.13(15) . . ?
C23 C24 C19 122.16(15) . . ?
C23 C24 H24 118.9 . . ?
C19 C24 H24 118.9 . . ?
F12 C25 F10 105.78(16) . . ?
F12 C25 F11 105.03(16) . . ?
F10 C25 F11 107.03(18) . . ?
F12 C25 C21 113.66(16) . . ?
F10 C25 C21 112.78(16) . . ?
F11 C25 C21 111.95(16) . . ?
F7 C26 F8 106.36(15) . . ?
F7 C26 F9 105.73(14) . . ?
F8 C26 F9 106.50(14) . . ?
F7 C26 C23 112.12(14) . . ?
F8 C26 C23 112.82(14) . . ?
F9 C26 C23 112.78(15) . . ?
C28 C27 C32 115.53(16) . . ?
C28 C27 B1 120.70(14) . . ?
C32 C27 B1 123.53(15) . . ?
C29 C28 C27 122.47(16) . . ?
C29 C28 H28 118.8 . . ?
C27 C28 H28 118.8 . . ?
C30 C29 C28 121.15(16) . . ?
C30 C29 C33 120.60(17) . . ?
C28 C29 C33 118.25(17) . . ?
C29 C30 C31 117.51(17) . . ?
C29 C30 H30 121.2 . . ?
C31 C30 H30 121.2 . . ?
C30 C31 C32 121.43(16) . . ?
C30 C31 C34 117.9(3) . . ?
C32 C31 C34 120.6(3) . . ?
C30 C31 C34B 120.1(5) . . ?
C32 C31 C34B 117.9(5) . . ?
C31 C32 C27 121.88(16) . . ?
C31 C32 H32 119.1 . . ?
C27 C32 H32 119.1 . . ?
F15 C33 F13 106.50(18) . . ?
F15 C33 F14 106.58(18) . . ?
F13 C33 F14 104.82(18) . . ?
F15 C33 C29 114.09(18) . . ?
F13 C33 C29 113.00(17) . . ?
F14 C33 C29 111.21(17) . . ?
C36 C35 C40 116.04(15) . . ?
C36 C35 B1 123.27(15) . . ?
C40 C35 B1 120.42(15) . . ?
C37 C36 C35 122.06(17) . . ?
C37 C36 H36 119.0 . . ?
C35 C36 H36 119.0 . . ?
C38 C37 C36 121.12(17) . . ?
C38 C37 C41 120.20(17) . . ?
C36 C37 C41 118.62(18) . . ?
C37 C38 C39 118.11(16) . . ?
C37 C38 H38 120.9 . . ?
C39 C38 H38 120.9 . . ?
C38 C39 C40 120.73(17) . . ?
C38 C39 C42 118.83(17) . . ?
C40 C39 C42 120.41(17) . . ?
C39 C40 C35 121.90(16) . . ?
C39 C40 H40 119.1 . . ?
C35 C40 H40 119.1 . . ?
F19 C41 F21 107.4(2) . . ?
F19 C41 F20 104.6(2) . . ?
F21 C41 F20 105.8(2) . . ?
F19 C41 C37 113.42(18) . . ?
F21 C41 C37 113.4(2) . . ?
F20 C41 C37 111.6(2) . . ?
F23 C42 F22 105.58(18) . . ?
F23 C42 F24 107.5(2) . . ?
F22 C42 F24 104.46(17) . . ?
F23 C42 C39 113.47(17) . . ?
F22 C42 C39 113.38(17) . . ?
F24 C42 C39 111.77(17) . . ?
C35 B1 C19 111.68(14) . . ?
C35 B1 C11 105.01(13) . . ?
C19 B1 C11 113.87(14) . . ?
C35 B1 C27 113.78(14) . . ?
C19 B1 C27 103.67(13) . . ?
C11 B1 C27 109.05(13) . . ?
F18 C34 F17 108.9(5) . . ?
F18 C34 F16 106.7(5) . . ?
F17 C34 F16 103.0(4) . . ?
F18 C34 C31 112.3(4) . . ?
F17 C34 C31 112.8(4) . . ?
F16 C34 C31 112.7(4) . . ?
F16B C34B F17B 105.1(13) . . ?
F16B C34B F18B 106.4(12) . . ?
F17B C34B F18B 106.6(12) . . ?
F16B C34B C31 113.3(11) . . ?
F17B C34B C31 109.3(10) . . ?
F18B C34B C31 115.4(11) . . ?
C1 Se1 C4 94.30(8) . . ?
C1 Se2 C5 94.40(8) . . ?
C2 Se3 C8 93.96(8) . . ?
C2 Se4 C9 94.14(8) . . ?

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
Se2 C1 C2 Se4 -1.1(2) . . . . ?
Se1 C1 C2 Se4 178.00(9) . . . . ?
Se2 C1 C2 Se3 -177.70(9) . . . . ?
Se1 C1 C2 Se3 1.4(2) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
Se1 C4 C5 C6 178.93(16) . . . . ?
C3 C4 C5 Se2 -178.72(15) . . . . ?
Se1 C4 C5 Se2 0.1(2) . . . . ?
C7 C8 C9 C10 1.2(3) . . . . ?
Se3 C8 C9 C10 178.64(15) . . . . ?
C7 C8 C9 Se4 -176.79(15) . . . . ?
Se3 C8 C9 Se4 0.7(2) . . . . ?
C16 C11 C12 C13 0.1(3) . . . . ?
B1 C11 C12 C13 177.58(16) . . . . ?
C11 C12 C13 C14 1.4(3) . . . . ?
C11 C12 C13 C17 177.87(18) . . . . ?
C12 C13 C14 C15 -0.7(3) . . . . ?
C17 C13 C14 C15 -177.23(19) . . . . ?
C13 C14 C15 C16 -1.4(3) . . . . ?
C13 C14 C15 C18 174.32(18) . . . . ?
C12 C11 C16 C15 -2.2(3) . . . . ?
B1 C11 C16 C15 -179.55(16) . . . . ?
C14 C15 C16 C11 3.0(3) . . . . ?
C18 C15 C16 C11 -172.74(18) . . . . ?
C14 C13 C17 F3 81.8(3) . . . . ?
C12 C13 C17 F3 -94.8(3) . . . . ?
C14 C13 C17 F1 -157.7(2) . . . . ?
C12 C13 C17 F1 25.8(3) . . . . ?
C14 C13 C17 F2 -37.3(3) . . . . ?
C12 C13 C17 F2 146.2(2) . . . . ?
C14 C15 C18 F6 -82.2(3) . . . . ?
C16 C15 C18 F6 93.5(3) . . . . ?
C14 C15 C18 F5 38.3(3) . . . . ?
C16 C15 C18 F5 -145.9(2) . . . . ?
C14 C15 C18 F4 157.7(2) . . . . ?
C16 C15 C18 F4 -26.6(3) . . . . ?
C24 C19 C20 C21 -1.7(3) . . . . ?
B1 C19 C20 C21 -175.95(16) . . . . ?
C19 C20 C21 C22 1.8(3) . . . . ?
C19 C20 C21 C25 -175.09(17) . . . . ?
C20 C21 C22 C23 -0.2(3) . . . . ?
C25 C21 C22 C23 176.71(16) . . . . ?
C21 C22 C23 C24 -1.5(3) . . . . ?
C21 C22 C23 C26 -178.57(15) . . . . ?
C22 C23 C24 C19 1.6(3) . . . . ?
C26 C23 C24 C19 178.67(15) . . . . ?
C20 C19 C24 C23 0.0(2) . . . . ?
B1 C19 C24 C23 174.25(16) . . . . ?
C22 C21 C25 F12 22.9(3) . . . . ?
C20 C21 C25 F12 -160.10(17) . . . . ?
C22 C21 C25 F10 143.33(18) . . . . ?
C20 C21 C25 F10 -39.7(3) . . . . ?
C22 C21 C25 F11 -95.9(2) . . . . ?
C20 C21 C25 F11 81.1(2) . . . . ?
C24 C23 C26 F7 -88.68(19) . . . . ?
C22 C23 C26 F7 88.48(19) . . . . ?
C24 C23 C26 F8 31.4(2) . . . . ?
C22 C23 C26 F8 -151.47(16) . . . . ?
C24 C23 C26 F9 152.09(16) . . . . ?
C22 C23 C26 F9 -30.7(2) . . . . ?
C32 C27 C28 C29 0.1(2) . . . . ?
B1 C27 C28 C29 174.62(15) . . . . ?
C27 C28 C29 C30 1.3(3) . . . . ?
C27 C28 C29 C33 -178.11(17) . . . . ?
C28 C29 C30 C31 -1.3(3) . . . . ?
C33 C29 C30 C31 178.12(18) . . . . ?
C29 C30 C31 C32 -0.1(3) . . . . ?
C29 C30 C31 C34 -177.4(2) . . . . ?
C29 C30 C31 C34B 171.0(6) . . . . ?
C30 C31 C32 C27 1.5(3) . . . . ?
C34 C31 C32 C27 178.8(2) . . . . ?
C34B C31 C32 C27 -169.8(5) . . . . ?
C28 C27 C32 C31 -1.5(2) . . . . ?
B1 C27 C32 C31 -175.82(16) . . . . ?
C30 C29 C33 F15 -6.7(3) . . . . ?
C28 C29 C33 F15 172.72(18) . . . . ?
C30 C29 C33 F13 115.2(2) . . . . ?
C28 C29 C33 F13 -65.4(2) . . . . ?
C30 C29 C33 F14 -127.3(2) . . . . ?
C28 C29 C33 F14 52.1(2) . . . . ?
C40 C35 C36 C37 -1.9(3) . . . . ?
B1 C35 C36 C37 -175.97(17) . . . . ?
C35 C36 C37 C38 1.6(3) . . . . ?
C35 C36 C37 C41 178.95(19) . . . . ?
C36 C37 C38 C39 -0.3(3) . . . . ?
C41 C37 C38 C39 -177.6(2) . . . . ?
C37 C38 C39 C40 -0.6(3) . . . . ?
C37 C38 C39 C42 177.18(18) . . . . ?
C38 C39 C40 C35 0.2(3) . . . . ?
C42 C39 C40 C35 -177.49(16) . . . . ?
C36 C35 C40 C39 1.0(2) . . . . ?
B1 C35 C40 C39 175.23(16) . . . . ?
C38 C37 C41 F19 -142.9(2) . . . . ?
C36 C37 C41 F19 39.7(3) . . . . ?
C38 C37 C41 F21 -20.1(3) . . . . ?
C36 C37 C41 F21 162.6(2) . . . . ?
C38 C37 C41 F20 99.3(2) . . . . ?
C36 C37 C41 F20 -78.1(3) . . . . ?
C38 C39 C42 F23 156.6(2) . . . . ?
C40 C39 C42 F23 -25.6(3) . . . . ?
C38 C39 C42 F22 36.2(3) . . . . ?
C40 C39 C42 F22 -146.03(18) . . . . ?
C38 C39 C42 F24 -81.6(2) . . . . ?
C40 C39 C42 F24 96.2(2) . . . . ?
C36 C35 B1 C19 -139.27(16) . . . . ?
C40 C35 B1 C19 46.9(2) . . . . ?
C36 C35 B1 C11 96.85(18) . . . . ?
C40 C35 B1 C11 -76.97(18) . . . . ?
C36 C35 B1 C27 -22.3(2) . . . . ?
C40 C35 B1 C27 163.85(15) . . . . ?
C20 C19 B1 C35 -158.06(15) . . . . ?
C24 C19 B1 C35 28.1(2) . . . . ?
C20 C19 B1 C11 -39.3(2) . . . . ?
C24 C19 B1 C11 146.82(16) . . . . ?
C20 C19 B1 C27 79.03(19) . . . . ?
C24 C19 B1 C27 -94.82(18) . . . . ?
C16 C11 B1 C35 106.12(18) . . . . ?
C12 C11 B1 C35 -71.11(19) . . . . ?
C16 C11 B1 C19 -16.4(2) . . . . ?
C12 C11 B1 C19 166.41(15) . . . . ?
C16 C11 B1 C27 -131.59(17) . . . . ?
C12 C11 B1 C27 51.18(19) . . . . ?
C28 C27 B1 C35 147.70(15) . . . . ?
C32 C27 B1 C35 -38.2(2) . . . . ?
C28 C27 B1 C19 -90.79(17) . . . . ?
C32 C27 B1 C19 83.30(18) . . . . ?
C28 C27 B1 C11 30.9(2) . . . . ?
C32 C27 B1 C11 -155.06(15) . . . . ?
C30 C31 C34 F18 -84.4(5) . . . . ?
C32 C31 C34 F18 98.3(5) . . . . ?
C30 C31 C34 F17 152.2(3) . . . . ?
C32 C31 C34 F17 -25.2(4) . . . . ?
C30 C31 C34 F16 36.1(4) . . . . ?
C32 C31 C34 F16 -141.3(3) . . . . ?
C30 C31 C34B F16B -15.9(12) . . . . ?
C32 C31 C34B F16B 155.6(8) . . . . ?
C30 C31 C34B F17B 101.0(10) . . . . ?
C32 C31 C34B F17B -87.5(10) . . . . ?
C30 C31 C34B F18B -138.9(8) . . . . ?
C32 C31 C34B F18B 32.6(12) . . . . ?
C2 C1 Se1 C4 -178.40(16) . . . . ?
Se2 C1 Se1 C4 0.74(10) . . . . ?
C5 C4 Se1 C1 -0.53(17) . . . . ?
C3 C4 Se1 C1 178.42(15) . . . . ?
C2 C1 Se2 C5 178.47(15) . . . . ?
Se1 C1 Se2 C5 -0.68(11) . . . . ?
C4 C5 Se2 C1 0.34(17) . . . . ?
C6 C5 Se2 C1 -178.56(16) . . . . ?
C1 C2 Se3 C8 175.44(15) . . . . ?
Se4 C2 Se3 C8 -1.41(10) . . . . ?
C9 C8 Se3 C2 0.45(16) . . . . ?
C7 C8 Se3 C2 178.25(14) . . . . ?
C1 C2 Se4 C9 -175.18(15) . . . . ?
Se3 C2 Se4 C9 1.67(10) . . . . ?
C8 C9 Se4 C2 -1.43(16) . . . . ?
C10 C9 Se4 C2 -179.63(14) . . . . ?

_refine_diff_density_max         0.881
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.085



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RS71_0m
_database_code_depnum_ccdc_archive 'CCDC 2011366'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C13 H36 B11, C10 H8 S8'
_chemical_formula_sum            'C23 H44 B11 S8'
_chemical_formula_weight         695.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.9617(7)
_cell_length_b                   15.7799(7)
_cell_length_c                   17.0816(8)
_cell_angle_alpha                111.6576(14)
_cell_angle_beta                 101.2680(14)
_cell_angle_gamma                94.4328(15)
_cell_volume                     3626.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9653
_cell_measurement_theta_min      3.2669
_cell_measurement_theta_max      79.7185

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_F_000             1460
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    4.667
_shelx_estimated_absorpt_T_min   0.308
_shelx_estimated_absorpt_T_max   0.628
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.356252
_exptl_absorpt_correction_T_max  0.754327
_exptl_absorpt_process_details   
;
TWINABS 2012/1: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.
(2015). J. Appl. Cryst. 48 3-10.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'I-mu-S microsource X-ray tube'
_diffrn_radiation_monochromator  'laterally graded multilayer (Goebel) mirror'
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            61897
_diffrn_reflns_av_unetI/netI     0.0523
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.868
_diffrn_reflns_theta_max         80.434
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measured_fraction_theta_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.895
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.895
_diffrn_reflns_point_group_measured_fraction_full 0.966
_reflns_number_total             26183
_reflns_number_gt                23382
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Apex3 v2017.3-0 (Bruker, 2016)'
_computing_cell_refinement       'SAINT V8.37A (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.37A (Bruker, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev924 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
The crystal under investigation was found to be non-merohedrally 
twinned. The orientation matrices for the two components were 
identified using the program Cell_Now, with the two components 
being related by a 180 degree rotation around the reciprocal 
axis (-0.5 0 1). The two components were integrated using Saint and 
corrected for absorption using twinabs, resulting in the 
following statistics:

27547 data (11295 unique) involve domain 1 only, mean I/sigma 29.3
27464 data (11287 unique) involve domain 2 only, mean I/sigma 29.3
7018 data (3604 unique) involve 2 domains, mean I/sigma 51.0

The exact twin matrix identified by the integration program was 
found to be: 

    -0.69868 -0.31707 -0.84943
    -0.00036 -1.00000  0.00005
    -0.60240  0.63462  0.69868

The structure was solved using direct methods with only the 
non-overlapping reflections of component 1. The structure was 
refined using the hklf 5 routine with all reflections of component 
1 (including the overlapping ones), resulting in a BASF value of 
0.5117(7).

The Rint value given is for all reflections and is based on 
agreement between observed single and composite intensities 
and those calculated from refined unique intensities and twin 
fractions (TWINABS (Sheldrick, 2012)).

The carbon atoms of the two carborane anions were refined as 
disordered over each two symmetry equivalent positions, disordered 
with boron atoms. The positions and the ADPs of the boron and carbon 
atoms were constrained to be each identical. Subject to these 
conditions the occupancy ratios refined to 0.61(3) to 0.39(3), 
and to 0.59(3) to 0.41(3). Partial other locations of the C atoms 
(disordered with other boron atoms) cannot be positively excluded. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0717P)²+1.8922P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         26183
_refine_ls_number_parameters     784
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0506
_refine_ls_wR_factor_ref         0.1476
_refine_ls_wR_factor_gt          0.1445
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C1 C 0.52813(16) 0.49223(17) 0.41153(15) 0.0243(5) Uani 1 1 d . . . . .
C2 C 0.39056(18) 0.53570(19) 0.32694(17) 0.0301(6) Uani 1 1 d . . . . .
C3 C 0.45104(18) 0.61609(18) 0.37320(17) 0.0277(5) Uani 1 1 d . . . . .
C4 C 0.2651(2) 0.6350(2) 0.2776(2) 0.0420(7) Uani 1 1 d . . . . .
H4A H 0.213294 0.634085 0.231152 0.050 Uiso 1 1 calc R U . . .
H4AB H 0.247382 0.662165 0.333431 0.050 Uiso 1 1 calc R U . . .
C5 C 0.3493(2) 0.6962(2) 0.2801(2) 0.0437(7) Uani 1 1 d . . . . .
H5A H 0.330698 0.753639 0.276051 0.052 Uiso 1 1 calc R U . . .
H5AB H 0.373516 0.664148 0.228784 0.052 Uiso 1 1 calc R U . . .
C6 C 0.59304(16) 0.44347(17) 0.43809(15) 0.0233(5) Uani 1 1 d . . . . .
C7 C 0.67690(17) 0.31663(18) 0.46166(16) 0.0265(5) Uani 1 1 d . . . . .
C8 C 0.73891(17) 0.39606(18) 0.50495(16) 0.0263(5) Uani 1 1 d . . . . .
C9 C 0.8178(2) 0.2248(2) 0.4394(2) 0.0382(6) Uani 1 1 d . . . . .
H9A H 0.841245 0.165226 0.423682 0.046 Uiso 1 1 calc R U . . .
H9AB H 0.817652 0.246152 0.391739 0.046 Uiso 1 1 calc R U . . .
C10 C 0.8814(2) 0.2945(2) 0.5215(3) 0.0545(9) Uani 1 1 d . . . . .
H10A H 0.944628 0.298510 0.512208 0.065 Uiso 1 1 calc R U . . .
H10B H 0.882586 0.271115 0.568002 0.065 Uiso 1 1 calc R U . . .
C11 C 0.43092(18) 0.07262(19) 0.09366(17) 0.0289(5) Uani 1 1 d . . . . .
C12 C 0.30224(18) 0.12800(19) 0.01045(17) 0.0290(5) Uani 1 1 d . . . . .
C13 C 0.35317(18) 0.20547(19) 0.07571(17) 0.0297(5) Uani 1 1 d . . . . .
C14 C 0.1755(2) 0.2326(2) -0.0335(2) 0.0494(8) Uani 1 1 d . . . . .
H14A H 0.206029 0.265054 -0.063374 0.059 Uiso 1 1 calc R U . . .
H14B H 0.108004 0.229018 -0.053039 0.059 Uiso 1 1 calc R U . . .
C15 C 0.2050(2) 0.2891(2) 0.0629(2) 0.0407(7) Uani 1 1 d . . . . .
H15A H 0.180639 0.253934 0.093769 0.049 Uiso 1 1 calc R U . . .
H15B H 0.178177 0.346801 0.076355 0.049 Uiso 1 1 calc R U . . .
C16 C 0.48936(18) 0.01994(19) 0.12227(17) 0.0286(5) Uani 1 1 d . . . . .
C17 C 0.56500(19) -0.11117(19) 0.14795(18) 0.0317(6) Uani 1 1 d . . . . .
C18 C 0.61488(19) -0.0320(2) 0.21231(19) 0.0340(6) Uani 1 1 d . . . . .
C19 C 0.6452(2) -0.2054(2) 0.2385(2) 0.0383(6) Uani 1 1 d . . . . .
H19A H 0.605317 -0.184789 0.279671 0.046 Uiso 1 1 calc R U . . .
H19B H 0.662461 -0.264677 0.238722 0.046 Uiso 1 1 calc R U . . .
C20 C 0.7318(2) -0.1343(2) 0.2694(2) 0.0366(6) Uani 1 1 d . . . . .
H20A H 0.766112 -0.149052 0.223319 0.044 Uiso 1 1 calc R U . . .
H20B H 0.771735 -0.138353 0.321049 0.044 Uiso 1 1 calc R U . . .
C21 C 0.2039(3) 0.2708(2) 0.3966(3) 0.0586(10) Uani 1 1 d . . . . .
H21A H 0.254513 0.292516 0.376331 0.088 Uiso 1 1 calc R U . . .
H21B H 0.217648 0.300014 0.460135 0.088 Uiso 1 1 calc R U . . .
H21C H 0.146313 0.287269 0.372009 0.088 Uiso 1 1 calc R U . . .
C22 C 0.1997(3) 0.1284(3) 0.1870(3) 0.0616(10) Uani 1 1 d . . . . .
H22A H 0.216282 0.081955 0.137742 0.092 Uiso 1 1 calc R U . . .
H22B H 0.247293 0.183720 0.212337 0.092 Uiso 1 1 calc R U . . .
H22C H 0.140101 0.144711 0.166979 0.092 Uiso 1 1 calc R U . . .
C23 C 0.3863(2) 0.1506(2) 0.3554(2) 0.0493(8) Uani 1 1 d . . . . .
H23A H 0.420146 0.106416 0.320634 0.074 Uiso 1 1 calc R U . . .
H23B H 0.420069 0.175851 0.416557 0.074 Uiso 1 1 calc R U . . .
H23C H 0.380374 0.200918 0.335178 0.074 Uiso 1 1 calc R U . . .
C24 C 0.2947(3) -0.0651(3) 0.1927(3) 0.0604(10) Uani 1 1 d . . . . .
H24A H 0.281770 -0.131574 0.178885 0.091 Uiso 1 1 calc R U . . .
H24B H 0.361115 -0.042849 0.217141 0.091 Uiso 1 1 calc R U . . .
H24C H 0.275305 -0.053850 0.139687 0.091 Uiso 1 1 calc R U . . .
C25 C 0.3548(2) -0.0416(3) 0.4080(3) 0.0569(9) Uani 1 1 d . . . . .
H25A H 0.331362 -0.095161 0.418503 0.085 Uiso 1 1 calc R U . . .
H25B H 0.392990 0.005534 0.462478 0.085 Uiso 1 1 calc R U . . .
H25C H 0.392044 -0.060724 0.365190 0.085 Uiso 1 1 calc R U . . .
C26 C 0.2990(3) 0.1668(3) 0.5338(2) 0.0571(10) Uani 1 1 d . . . . .
H26A H 0.355272 0.202404 0.533126 0.086 Uiso 1 1 calc R U . . .
H26B H 0.315727 0.124915 0.562694 0.086 Uiso 1 1 calc R U . . .
H26C H 0.261606 0.209170 0.565408 0.086 Uiso 1 1 calc R U . . .
C27 C 0.1463(2) -0.1814(2) 0.2677(3) 0.0475(8) Uani 1 1 d . . . . .
H27A H 0.079670 -0.203743 0.251194 0.071 Uiso 1 1 calc R U . . .
H27B H 0.175725 -0.199324 0.314498 0.071 Uiso 1 1 calc R U . . .
H27C H 0.172424 -0.208596 0.217426 0.071 Uiso 1 1 calc R U . . .
C28 C 0.1518(3) -0.0393(3) 0.4786(2) 0.0515(9) Uani 1 1 d . . . . .
H28A H 0.110864 -0.099165 0.449307 0.077 Uiso 1 1 calc R U . . .
H28B H 0.124304 0.003255 0.521799 0.077 Uiso 1 1 calc R U . . .
H28C H 0.211882 -0.047499 0.507481 0.077 Uiso 1 1 calc R U . . .
C29 C 0.0611(3) 0.1553(3) 0.4705(3) 0.0684(12) Uani 1 1 d . . . . .
H29A H 0.078225 0.221940 0.487239 0.103 Uiso 1 1 calc R U . . .
H29B H 0.074029 0.141044 0.522362 0.103 Uiso 1 1 calc R U . . .
H29C H -0.004924 0.136416 0.442079 0.103 Uiso 1 1 calc R U . . .
C30 C 0.0066(3) 0.1261(3) 0.2615(4) 0.0800(14) Uani 1 1 d . . . . .
H30A H 0.008462 0.124885 0.204020 0.120 Uiso 1 1 calc R U . A 1
H30B H 0.008189 0.189865 0.301363 0.120 Uiso 1 1 calc R U . A 1
H30C H -0.050311 0.087681 0.257018 0.120 Uiso 1 1 calc R U . A 1
C31 C 0.0604(3) -0.0731(3) 0.1366(3) 0.0630(10) Uani 1 1 d . . . . .
H31A H 0.095336 -0.066215 0.095776 0.095 Uiso 1 1 calc R U . B 1
H31B H 0.001987 -0.049808 0.127567 0.095 Uiso 1 1 calc R U . B 1
H31C H 0.047512 -0.138539 0.126730 0.095 Uiso 1 1 calc R U . B 1
C32 C -0.0294(2) -0.0578(2) 0.3067(3) 0.0478(8) Uani 1 1 d . . . . .
H32A H -0.052555 -0.099528 0.245569 0.072 Uiso 1 1 calc R U . . .
H32B H -0.069476 -0.010998 0.322114 0.072 Uiso 1 1 calc R U . . .
H32C H -0.029230 -0.093292 0.343242 0.072 Uiso 1 1 calc R U . . .
C33 C 0.8507(2) 0.6698(2) 0.2274(3) 0.0502(8) Uani 1 1 d . . . . .
H33A H 0.812280 0.693051 0.188845 0.075 Uiso 1 1 calc R U . . .
H33B H 0.915991 0.687455 0.230710 0.075 Uiso 1 1 calc R U . . .
H33C H 0.839256 0.696545 0.285506 0.075 Uiso 1 1 calc R U . . .
C34 C 0.8697(3) 0.5291(3) 0.0204(3) 0.0566(10) Uani 1 1 d . . . . .
H34A H 0.908284 0.488798 -0.011695 0.085 Uiso 1 1 calc R U . . .
H34B H 0.905421 0.591216 0.053847 0.085 Uiso 1 1 calc R U . . .
H34C H 0.815462 0.532146 -0.020657 0.085 Uiso 1 1 calc R U . . .
C35 C 1.0210(2) 0.5329(3) 0.2025(3) 0.0554(9) Uani 1 1 d . . . . .
H35A H 1.033201 0.555626 0.158757 0.083 Uiso 1 1 calc R U . . .
H35B H 1.058416 0.484875 0.203658 0.083 Uiso 1 1 calc R U . . .
H35C H 1.037107 0.584147 0.259667 0.083 Uiso 1 1 calc R U . . .
C36 C 0.9333(3) 0.3303(3) 0.0329(3) 0.0563(9) Uani 1 1 d . . . . .
H36A H 0.910951 0.263779 0.011092 0.084 Uiso 1 1 calc R U . C 1
H36B H 0.996504 0.344515 0.068802 0.084 Uiso 1 1 calc R U . C 1
H36C H 0.932627 0.348443 -0.016253 0.084 Uiso 1 1 calc R U . C 1
C37 C 0.9483(3) 0.3424(3) 0.2347(3) 0.0683(12) Uani 1 1 d . . . . .
H37A H 0.935058 0.275805 0.199526 0.102 Uiso 1 1 calc R U . D 1
H37B H 0.943727 0.353620 0.294033 0.102 Uiso 1 1 calc R U . D 1
H37C H 1.010808 0.367169 0.235693 0.102 Uiso 1 1 calc R U . D 1
C38 C 0.8967(3) 0.5479(3) 0.3598(2) 0.0593(10) Uani 1 1 d . . . . .
H38A H 0.939695 0.510625 0.377237 0.089 Uiso 1 1 calc R U . . .
H38B H 0.848475 0.554642 0.392062 0.089 Uiso 1 1 calc R U . . .
H38C H 0.930414 0.609088 0.372528 0.089 Uiso 1 1 calc R U . . .
C39 C 0.7618(3) 0.2160(2) 0.0761(2) 0.0518(8) Uani 1 1 d . . . . .
H39A H 0.750098 0.189932 0.012659 0.078 Uiso 1 1 calc R U . . .
H39B H 0.708020 0.195514 0.093332 0.078 Uiso 1 1 calc R U . . .
H39C H 0.816228 0.194950 0.100602 0.078 Uiso 1 1 calc R U . . .
C40 C 0.7344(3) 0.3479(3) 0.2763(2) 0.0558(9) Uani 1 1 d . . . . .
H40A H 0.670621 0.355884 0.278904 0.084 Uiso 1 1 calc R U . . .
H40B H 0.774887 0.376935 0.334900 0.084 Uiso 1 1 calc R U . . .
H40C H 0.738043 0.281854 0.251924 0.084 Uiso 1 1 calc R U . . .
C41 C 0.5826(2) 0.3491(3) 0.0944(3) 0.0539(9) Uani 1 1 d . . . . .
H41A H 0.547925 0.372638 0.054097 0.081 Uiso 1 1 calc R U . . .
H41B H 0.558154 0.365520 0.146401 0.081 Uiso 1 1 calc R U . . .
H41C H 0.576194 0.281679 0.066225 0.081 Uiso 1 1 calc R U . . .
C42 C 0.6692(2) 0.5534(2) 0.2724(2) 0.0483(8) Uani 1 1 d . . . . .
H42A H 0.615888 0.564823 0.236318 0.072 Uiso 1 1 calc R U . . .
H42B H 0.704282 0.612387 0.316249 0.072 Uiso 1 1 calc R U . . .
H42C H 0.647622 0.515170 0.301214 0.072 Uiso 1 1 calc R U . . .
C43 C 0.7097(3) 0.3357(3) -0.0578(2) 0.0562(9) Uani 1 1 d . . . . .
H43A H 0.663972 0.370211 -0.076067 0.084 Uiso 1 1 calc R U . . .
H43B H 0.679525 0.273072 -0.070778 0.084 Uiso 1 1 calc R U . . .
H43C H 0.758472 0.332382 -0.089174 0.084 Uiso 1 1 calc R U . . .
C44 C 0.6534(2) 0.5446(3) 0.0621(2) 0.0507(8) Uani 1 1 d . . . . .
H44A H 0.624536 0.502870 0.001851 0.076 Uiso 1 1 calc R U . . .
H44B H 0.685774 0.601556 0.063069 0.076 Uiso 1 1 calc R U . . .
H44C H 0.605659 0.559574 0.094669 0.076 Uiso 1 1 calc R U . . .
B1 B 0.1930(2) 0.1613(2) 0.3664(2) 0.0346(7) Uani 1 1 d . . . . .
B2 B 0.1925(2) 0.0875(2) 0.2582(2) 0.0365(7) Uani 1 1 d . . . . .
B3 B 0.2857(2) 0.0991(2) 0.3453(2) 0.0316(6) Uani 1 1 d . . . . .
B4 B 0.2392(2) -0.0116(2) 0.2618(2) 0.0333(7) Uani 1 1 d . . . . .
B5 B 0.2689(2) 0.0008(2) 0.3717(2) 0.0325(6) Uani 1 1 d . . . . .
B6 B 0.2408(2) 0.1078(2) 0.4361(2) 0.0327(6) Uani 1 1 d . . . . .
B7 B 0.1645(2) -0.0710(2) 0.3006(2) 0.0279(6) Uani 1 1 d . . . . .
B8 B 0.1655(2) 0.0026(2) 0.4084(2) 0.0299(6) Uani 1 1 d . . . . .
B9 B 0.1192(2) 0.1013(2) 0.4055(2) 0.0353(7) Uani 1 1 d . . . . .
B10 B 0.0927(2) 0.0875(2) 0.2969(2) 0.0404(8) Uani 0.39(3) 1 d . . P E 1
C46 C 0.1187(2) -0.0163(2) 0.2325(2) 0.0357(7) Uani 0.39(3) 1 d . . P E 1
B11 B 0.1187(2) -0.0163(2) 0.2325(2) 0.0357(7) Uani 0.61(3) 1 d . . P E 2
C45 C 0.0927(2) 0.0875(2) 0.2969(2) 0.0404(8) Uani 0.61(3) 1 d . . P E 2
B12 B 0.0728(2) -0.0084(2) 0.3217(2) 0.0288(6) Uani 1 1 d . . . . .
B13 B 0.8254(2) 0.5598(2) 0.1901(2) 0.0312(6) Uani 1 1 d . . . . .
B14 B 0.8369(2) 0.4883(2) 0.0849(2) 0.0323(6) Uani 1 1 d . . . . .
B15 B 0.9143(2) 0.4908(2) 0.1788(2) 0.0346(7) Uani 1 1 d . . . . .
B16 B 0.8687(2) 0.3851(2) 0.0890(2) 0.0356(7) Uani 0.59(3) 1 d . . P F 1
C48 C 0.8765(2) 0.3916(2) 0.1943(2) 0.0389(7) Uani 0.59(3) 1 d . . P F 1
B17 B 0.8765(2) 0.3916(2) 0.1943(2) 0.0389(7) Uani 0.41(3) 1 d . . P F 2
C47 C 0.8687(2) 0.3851(2) 0.0890(2) 0.0356(7) Uani 0.41(3) 1 d . . P F 2
B18 B 0.8505(2) 0.4979(2) 0.2581(2) 0.0333(7) Uani 1 1 d . . . . .
B19 B 0.7796(2) 0.3257(2) 0.1114(2) 0.0329(7) Uani 1 1 d . . . . .
B20 B 0.7667(2) 0.3955(2) 0.21605(19) 0.0318(6) Uani 1 1 d . . . . .
B21 B 0.6898(2) 0.3940(2) 0.1215(2) 0.0310(6) Uani 1 1 d . . . . .
B22 B 0.7339(2) 0.5007(2) 0.21273(19) 0.0283(6) Uani 1 1 d . . . . .
B23 B 0.7536(2) 0.3869(2) 0.04374(19) 0.0317(6) Uani 1 1 d . . . . .
B24 B 0.7257(2) 0.4952(2) 0.1056(2) 0.0308(6) Uani 1 1 d . . . . .
S1 S 0.42339(4) 0.43694(4) 0.33994(4) 0.02810(14) Uani 1 1 d . . . . .
S2 S 0.55252(4) 0.60943(4) 0.43933(4) 0.02460(13) Uani 1 1 d . . . . .
S3 S 0.28159(5) 0.51730(5) 0.25859(5) 0.0443(2) Uani 1 1 d . . . . .
S4 S 0.44027(5) 0.72648(5) 0.37682(5) 0.03617(17) Uani 1 1 d . . . . .
S5 S 0.56980(4) 0.32606(4) 0.40807(4) 0.02459(13) Uani 1 1 d . . . . .
S6 S 0.70198(4) 0.49627(4) 0.50094(4) 0.02590(14) Uani 1 1 d . . . . .
S7 S 0.70071(5) 0.20687(5) 0.45049(5) 0.03538(16) Uani 1 1 d . . . . .
S8 S 0.85335(5) 0.41026(5) 0.55980(5) 0.04070(18) Uani 1 1 d . . . . .
S9 S 0.33632(5) 0.02368(5) 0.00633(4) 0.03077(15) Uani 1 1 d . . . . .
S10 S 0.44524(5) 0.19057(5) 0.14654(5) 0.03283(16) Uani 1 1 d . . . . .
S11 S 0.20191(5) 0.11594(5) -0.06672(5) 0.04187(18) Uani 1 1 d . . . . .
S12 S 0.32986(5) 0.31809(5) 0.10156(5) 0.03983(18) Uani 1 1 d . . . . .
S13 S 0.47273(4) -0.09860(5) 0.07583(4) 0.02929(14) Uani 1 1 d . . . . .
S14 S 0.58053(5) 0.07123(5) 0.21302(5) 0.03516(16) Uani 1 1 d . . . . .
S15 S 0.58019(6) -0.22443(5) 0.13080(5) 0.04279(19) Uani 1 1 d . . . . .
S16 S 0.70894(6) -0.01786(6) 0.29692(6) 0.0537(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C6 1.394(3) . ?
C1 S2 1.720(3) . ?
C1 S1 1.722(2) . ?
C2 C3 1.362(4) . ?
C2 S3 1.743(3) . ?
C2 S1 1.747(3) . ?
C3 S4 1.741(3) . ?
C3 S2 1.742(3) . ?
C4 C5 1.511(5) . ?
C4 S3 1.808(3) . ?
C4 H4A 0.9900 . ?
C4 H4AB 0.9900 . ?
C5 S4 1.803(3) . ?
C5 H5A 0.9900 . ?
C5 H5AB 0.9900 . ?
C6 S5 1.716(3) . ?
C6 S6 1.717(2) . ?
C7 C8 1.359(4) . ?
C7 S5 1.730(3) . ?
C7 S7 1.744(3) . ?
C8 S6 1.735(3) . ?
C8 S8 1.737(3) . ?
C9 C10 1.504(4) . ?
C9 S7 1.810(3) . ?
C9 H9A 0.9900 . ?
C9 H9AB 0.9900 . ?
C10 S8 1.812(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C16 1.393(4) . ?
C11 S10 1.717(3) . ?
C11 S9 1.726(3) . ?
C12 C13 1.355(4) . ?
C12 S11 1.739(3) . ?
C12 S9 1.741(3) . ?
C13 S10 1.739(3) . ?
C13 S12 1.747(3) . ?
C14 C15 1.507(5) . ?
C14 S11 1.815(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 S12 1.816(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 S13 1.716(3) . ?
C16 S14 1.731(3) . ?
C17 C18 1.359(4) . ?
C17 S13 1.738(3) . ?
C17 S15 1.742(3) . ?
C18 S14 1.742(3) . ?
C18 S16 1.743(3) . ?
C19 C20 1.513(4) . ?
C19 S15 1.808(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 S16 1.799(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 B1 1.595(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 B2 1.590(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 B3 1.601(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 B4 1.597(4) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 B5 1.616(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 B6 1.604(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 B7 1.602(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 B8 1.605(4) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 B9 1.584(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C45 1.577(5) . ?
C30 B10 1.577(5) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 B11 1.577(5) . ?
C31 C46 1.577(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 B12 1.590(4) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 B13 1.598(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 B14 1.598(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 B15 1.593(4) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C47 1.575(4) . ?
C36 B16 1.575(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 B17 1.570(5) . ?
C37 C48 1.570(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 B18 1.598(4) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 B19 1.589(4) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 B20 1.601(4) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 B21 1.607(4) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 B22 1.597(4) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 B23 1.591(4) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 B24 1.605(4) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
B1 C45 1.741(5) . ?
B1 B10 1.741(5) . ?
B1 B6 1.774(5) . ?
B1 B9 1.776(5) . ?
B1 B3 1.778(5) . ?
B1 B2 1.782(5) . ?
B2 C45 1.746(5) . ?
B2 B10 1.746(5) . ?
B2 B11 1.759(5) . ?
B2 C46 1.759(5) . ?
B2 B3 1.772(5) . ?
B2 B4 1.778(5) . ?
B3 B6 1.772(4) . ?
B3 B4 1.776(4) . ?
B3 B5 1.780(5) . ?
B4 B11 1.762(5) . ?
B4 C46 1.762(5) . ?
B4 B5 1.774(5) . ?
B4 B7 1.777(4) . ?
B5 B6 1.777(5) . ?
B5 B8 1.778(4) . ?
B5 B7 1.780(4) . ?
B6 B9 1.775(5) . ?
B6 B8 1.780(4) . ?
B7 B11 1.758(4) . ?
B7 C46 1.758(4) . ?
B7 B12 1.769(4) . ?
B7 B8 1.775(4) . ?
B8 B9 1.765(5) . ?
B8 B12 1.765(4) . ?
B9 C45 1.746(5) . ?
B9 B10 1.746(5) . ?
B9 B12 1.767(5) . ?
B10 C46 1.726(5) . ?
B10 B12 1.736(4) . ?
C46 B12 1.758(4) . ?
B11 C45 1.726(5) . ?
B11 B12 1.758(4) . ?
C45 B12 1.736(4) . ?
B13 B15 1.778(4) . ?
B13 B18 1.779(5) . ?
B13 B22 1.780(4) . ?
B13 B24 1.784(5) . ?
B13 B14 1.786(5) . ?
B14 C47 1.753(4) . ?
B14 B16 1.753(4) . ?
B14 B23 1.768(5) . ?
B14 B24 1.770(4) . ?
B14 B15 1.771(5) . ?
B15 B17 1.752(5) . ?
B15 C48 1.752(5) . ?
B15 C47 1.769(5) . ?
B15 B16 1.769(5) . ?
B15 B18 1.780(5) . ?
B16 C48 1.743(4) . ?
B16 B23 1.750(5) . ?
B16 B19 1.753(5) . ?
C48 B19 1.752(5) . ?
C48 B18 1.753(4) . ?
C48 B20 1.755(5) . ?
B17 C47 1.743(4) . ?
B17 B19 1.752(5) . ?
B17 B18 1.753(4) . ?
B17 B20 1.755(5) . ?
C47 B23 1.750(5) . ?
C47 B19 1.753(5) . ?
B18 B22 1.777(4) . ?
B18 B20 1.783(5) . ?
B19 B23 1.768(4) . ?
B19 B20 1.778(4) . ?
B19 B21 1.782(5) . ?
B20 B21 1.781(4) . ?
B20 B22 1.785(4) . ?
B21 B23 1.758(4) . ?
B21 B24 1.778(4) . ?
B21 B22 1.786(4) . ?
B22 B24 1.780(4) . ?
B23 B24 1.779(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
C6 C1 S2 121.93(19) . . ?
C6 C1 S1 121.8(2) . . ?
S2 C1 S1 115.98(14) . . ?
C3 C2 S3 129.1(2) . . ?
C3 C2 S1 116.48(19) . . ?
S3 C2 S1 114.41(16) . . ?
C2 C3 S4 128.7(2) . . ?
C2 C3 S2 116.5(2) . . ?
S4 C3 S2 114.76(15) . . ?
C5 C4 S3 114.1(2) . . ?
C5 C4 H4A 108.7 . . ?
S3 C4 H4A 108.7 . . ?
C5 C4 H4AB 108.7 . . ?
S3 C4 H4AB 108.7 . . ?
H4A C4 H4AB 107.6 . . ?
C4 C5 S4 113.4(2) . . ?
C4 C5 H5A 108.9 . . ?
S4 C5 H5A 108.9 . . ?
C4 C5 H5AB 108.9 . . ?
S4 C5 H5AB 108.9 . . ?
H5A C5 H5AB 107.7 . . ?
C1 C6 S5 122.0(2) . . ?
C1 C6 S6 122.3(2) . . ?
S5 C6 S6 115.67(13) . . ?
C8 C7 S5 116.60(19) . . ?
C8 C7 S7 124.66(19) . . ?
S5 C7 S7 118.58(15) . . ?
C7 C8 S6 116.48(19) . . ?
C7 C8 S8 128.5(2) . . ?
S6 C8 S8 114.97(15) . . ?
C10 C9 S7 112.3(2) . . ?
C10 C9 H9A 109.2 . . ?
S7 C9 H9A 109.2 . . ?
C10 C9 H9AB 109.2 . . ?
S7 C9 H9AB 109.2 . . ?
H9A C9 H9AB 107.9 . . ?
C9 C10 S8 116.4(2) . . ?
C9 C10 H10A 108.2 . . ?
S8 C10 H10A 108.2 . . ?
C9 C10 H10B 108.2 . . ?
S8 C10 H10B 108.2 . . ?
H10A C10 H10B 107.3 . . ?
C16 C11 S10 121.9(2) . . ?
C16 C11 S9 122.5(2) . . ?
S10 C11 S9 115.52(15) . . ?
C13 C12 S11 129.4(2) . . ?
C13 C12 S9 116.3(2) . . ?
S11 C12 S9 114.13(16) . . ?
C12 C13 S10 116.9(2) . . ?
C12 C13 S12 126.5(2) . . ?
S10 C13 S12 116.40(16) . . ?
C15 C14 S11 114.6(2) . . ?
C15 C14 H14A 108.6 . . ?
S11 C14 H14A 108.6 . . ?
C15 C14 H14B 108.6 . . ?
S11 C14 H14B 108.6 . . ?
H14A C14 H14B 107.6 . . ?
C14 C15 S12 111.9(2) . . ?
C14 C15 H15A 109.2 . . ?
S12 C15 H15A 109.2 . . ?
C14 C15 H15B 109.2 . . ?
S12 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C11 C16 S13 123.3(2) . . ?
C11 C16 S14 121.1(2) . . ?
S13 C16 S14 115.45(15) . . ?
C18 C17 S13 116.4(2) . . ?
C18 C17 S15 127.8(2) . . ?
S13 C17 S15 115.79(16) . . ?
C17 C18 S14 116.7(2) . . ?
C17 C18 S16 129.3(2) . . ?
S14 C18 S16 114.06(17) . . ?
C20 C19 S15 112.9(2) . . ?
C20 C19 H19A 109.0 . . ?
S15 C19 H19A 109.0 . . ?
C20 C19 H19B 109.0 . . ?
S15 C19 H19B 109.0 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 S16 113.3(2) . . ?
C19 C20 H20A 108.9 . . ?
S16 C20 H20A 108.9 . . ?
C19 C20 H20B 108.9 . . ?
S16 C20 H20B 108.9 . . ?
H20A C20 H20B 107.7 . . ?
B1 C21 H21A 109.5 . . ?
B1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
B1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
B2 C22 H22A 109.5 . . ?
B2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
B2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
B3 C23 H23A 109.5 . . ?
B3 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
B3 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
B4 C24 H24A 109.5 . . ?
B4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
B4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
B5 C25 H25A 109.5 . . ?
B5 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
B5 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
B6 C26 H26A 109.5 . . ?
B6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
B6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
B7 C27 H27A 109.5 . . ?
B7 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
B7 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
B8 C28 H28A 109.5 . . ?
B8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
B8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
B9 C29 H29A 109.5 . . ?
B9 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
B9 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
B10 C30 H30A 109.5 . . ?
B10 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
B10 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C46 C31 H31A 109.5 . . ?
C46 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C46 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
B12 C32 H32A 109.5 . . ?
B12 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
B12 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
B13 C33 H33A 109.5 . . ?
B13 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
B13 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
B14 C34 H34A 109.5 . . ?
B14 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
B14 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
B15 C35 H35A 109.5 . . ?
B15 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
B15 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
B16 C36 H36A 109.5 . . ?
B16 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
B16 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C48 C37 H37A 109.5 . . ?
C48 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C48 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
B18 C38 H38A 109.5 . . ?
B18 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
B18 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
B19 C39 H39A 109.5 . . ?
B19 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
B19 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
B20 C40 H40A 109.5 . . ?
B20 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
B20 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
B21 C41 H41A 109.5 . . ?
B21 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
B21 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
B22 C42 H42A 109.5 . . ?
B22 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
B22 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
B23 C43 H43A 109.5 . . ?
B23 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
B23 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
B24 C44 H44A 109.5 . . ?
B24 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
B24 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C21 B1 C45 122.4(3) . . ?
C21 B1 B10 122.4(3) . . ?
C21 B1 B6 122.5(3) . . ?
C45 B1 B6 106.6(2) . . ?
B10 B1 B6 106.6(2) . . ?
C21 B1 B9 121.2(3) . . ?
C45 B1 B9 59.52(19) . . ?
B10 B1 B9 59.52(19) . . ?
B6 B1 B9 60.00(19) . . ?
C21 B1 B3 122.9(3) . . ?
C45 B1 B3 106.3(2) . . ?
B10 B1 B3 106.3(2) . . ?
B6 B1 B3 59.86(18) . . ?
B9 B1 B3 107.8(2) . . ?
C21 B1 B2 121.7(3) . . ?
C45 B1 B2 59.4(2) . . ?
B10 B1 B2 59.4(2) . . ?
B6 B1 B2 107.7(2) . . ?
B9 B1 B2 108.0(2) . . ?
B3 B1 B2 59.71(19) . . ?
C22 B2 C45 120.7(3) . . ?
C22 B2 B10 120.7(3) . . ?
C22 B2 B11 121.4(3) . . ?
C45 B2 B11 59.01(19) . . ?
C22 B2 C46 121.4(3) . . ?
B10 B2 C46 59.01(19) . . ?
C22 B2 B3 124.2(3) . . ?
C45 B2 B3 106.3(2) . . ?
B10 B2 B3 106.3(2) . . ?
B11 B2 B3 107.3(2) . . ?
C46 B2 B3 107.3(2) . . ?
C22 B2 B4 124.0(3) . . ?
C45 B2 B4 106.4(2) . . ?
B10 B2 B4 106.4(2) . . ?
B11 B2 B4 59.76(19) . . ?
C46 B2 B4 59.76(19) . . ?
B3 B2 B4 60.03(19) . . ?
C22 B2 B1 121.0(3) . . ?
C45 B2 B1 59.13(19) . . ?
B10 B2 B1 59.13(19) . . ?
B11 B2 B1 107.1(2) . . ?
C46 B2 B1 107.1(2) . . ?
B3 B2 B1 60.05(19) . . ?
B4 B2 B1 108.0(2) . . ?
C23 B3 B6 122.3(3) . . ?
C23 B3 B2 120.8(3) . . ?
B6 B3 B2 108.2(2) . . ?
C23 B3 B4 121.4(2) . . ?
B6 B3 B4 108.0(2) . . ?
B2 B3 B4 60.14(19) . . ?
C23 B3 B1 121.4(3) . . ?
B6 B3 B1 59.94(18) . . ?
B2 B3 B1 60.24(19) . . ?
B4 B3 B1 108.2(2) . . ?
C23 B3 B5 122.4(3) . . ?
B6 B3 B5 60.04(18) . . ?
B2 B3 B5 108.1(2) . . ?
B4 B3 B5 59.86(18) . . ?
B1 B3 B5 108.0(2) . . ?
C24 B4 B11 121.7(3) . . ?
C24 B4 C46 121.7(3) . . ?
C24 B4 B5 122.6(3) . . ?
B11 B4 B5 107.3(2) . . ?
C46 B4 B5 107.3(2) . . ?
C24 B4 B3 122.3(3) . . ?
B11 B4 B3 107.1(2) . . ?
C46 B4 B3 107.1(2) . . ?
B5 B4 B3 60.20(18) . . ?
C24 B4 B7 121.9(3) . . ?
B11 B4 B7 59.55(17) . . ?
C46 B4 B7 59.55(17) . . ?
B5 B4 B7 60.15(18) . . ?
B3 B4 B7 108.1(2) . . ?
C24 B4 B2 121.1(3) . . ?
B11 B4 B2 59.59(19) . . ?
C46 B4 B2 59.59(19) . . ?
B5 B4 B2 108.1(2) . . ?
B3 B4 B2 59.83(19) . . ?
B7 B4 B2 107.8(2) . . ?
C25 B5 B4 121.6(3) . . ?
C25 B5 B6 121.8(3) . . ?
B4 B5 B6 107.9(2) . . ?
C25 B5 B8 122.0(3) . . ?
B4 B5 B8 107.9(2) . . ?
B6 B5 B8 60.10(17) . . ?
C25 B5 B7 121.8(3) . . ?
B4 B5 B7 60.00(18) . . ?
B6 B5 B7 107.9(2) . . ?
B8 B5 B7 59.85(17) . . ?
C25 B5 B3 121.8(3) . . ?
B4 B5 B3 59.94(18) . . ?
B6 B5 B3 59.76(18) . . ?
B8 B5 B3 107.7(2) . . ?
B7 B5 B3 107.8(2) . . ?
C26 B6 B3 122.0(3) . . ?
C26 B6 B1 121.9(3) . . ?
B3 B6 B1 60.20(18) . . ?
C26 B6 B9 121.6(3) . . ?
B3 B6 B9 108.1(2) . . ?
B1 B6 B9 60.08(19) . . ?
C26 B6 B5 121.6(3) . . ?
B3 B6 B5 60.21(18) . . ?
B1 B6 B5 108.3(2) . . ?
B9 B6 B5 107.8(2) . . ?
C26 B6 B8 121.5(3) . . ?
B3 B6 B8 108.0(2) . . ?
B1 B6 B8 107.7(2) . . ?
B9 B6 B8 59.54(18) . . ?
B5 B6 B8 59.96(17) . . ?
C27 B7 B11 120.9(3) . . ?
C27 B7 C46 120.9(3) . . ?
C27 B7 B12 119.8(2) . . ?
B11 B7 B12 59.82(18) . . ?
C46 B7 B12 59.82(18) . . ?
C27 B7 B8 122.1(2) . . ?
B11 B7 B8 107.3(2) . . ?
C46 B7 B8 107.3(2) . . ?
B12 B7 B8 59.77(17) . . ?
C27 B7 B4 122.7(2) . . ?
B11 B7 B4 59.81(18) . . ?
C46 B7 B4 59.81(18) . . ?
B12 B7 B4 108.0(2) . . ?
B8 B7 B4 107.9(2) . . ?
C27 B7 B5 124.0(2) . . ?
B11 B7 B5 107.3(2) . . ?
C46 B7 B5 107.3(2) . . ?
B12 B7 B5 107.8(2) . . ?
B8 B7 B5 60.02(17) . . ?
B4 B7 B5 59.85(18) . . ?
C28 B8 B9 121.9(3) . . ?
C28 B8 B12 121.2(2) . . ?
B9 B8 B12 60.08(18) . . ?
C28 B8 B7 120.8(3) . . ?
B9 B8 B7 108.2(2) . . ?
B12 B8 B7 59.95(17) . . ?
C28 B8 B5 121.7(3) . . ?
B9 B8 B5 108.2(2) . . ?
B12 B8 B5 108.0(2) . . ?
B7 B8 B5 60.14(17) . . ?
C28 B8 B6 122.6(3) . . ?
B9 B8 B6 60.09(19) . . ?
B12 B8 B6 107.9(2) . . ?
B7 B8 B6 108.0(2) . . ?
B5 B8 B6 59.94(18) . . ?
C29 B9 C45 121.5(3) . . ?
C29 B9 B10 121.5(3) . . ?
C29 B9 B8 123.5(3) . . ?
C45 B9 B8 106.4(2) . . ?
B10 B9 B8 106.4(2) . . ?
C29 B9 B12 121.6(3) . . ?
C45 B9 B12 59.23(19) . . ?
B10 B9 B12 59.23(19) . . ?
B8 B9 B12 59.97(18) . . ?
C29 B9 B6 123.2(3) . . ?
C45 B9 B6 106.3(2) . . ?
B10 B9 B6 106.3(2) . . ?
B8 B9 B6 60.37(18) . . ?
B12 B9 B6 108.1(2) . . ?
C29 B9 B1 120.6(3) . . ?
C45 B9 B1 59.22(19) . . ?
B10 B9 B1 59.22(19) . . ?
B8 B9 B1 108.3(2) . . ?
B12 B9 B1 107.8(2) . . ?
B6 B9 B1 59.92(18) . . ?
C30 B10 C46 120.1(3) . . ?
C30 B10 B12 118.2(3) . . ?
C46 B10 B12 61.04(18) . . ?
C30 B10 B1 121.3(3) . . ?
C46 B10 B1 110.5(2) . . ?
B12 B10 B1 110.9(2) . . ?
C30 B10 B2 121.4(3) . . ?
C46 B10 B2 60.88(19) . . ?
B12 B10 B2 110.9(2) . . ?
B1 B10 B2 61.47(19) . . ?
C30 B10 B9 119.4(3) . . ?
C46 B10 B9 110.3(2) . . ?
B12 B10 B9 61.00(19) . . ?
B1 B10 B9 61.26(19) . . ?
B2 B10 B9 111.1(2) . . ?
C31 C46 B10 121.7(3) . . ?
C31 C46 B7 121.8(3) . . ?
B10 C46 B7 107.8(2) . . ?
C31 C46 B12 121.0(3) . . ?
B10 C46 B12 59.76(18) . . ?
B7 C46 B12 60.39(17) . . ?
C31 C46 B2 120.3(3) . . ?
B10 C46 B2 60.10(19) . . ?
B7 C46 B2 109.5(2) . . ?
B12 C46 B2 109.2(2) . . ?
C31 C46 B4 121.6(3) . . ?
B10 C46 B4 107.9(2) . . ?
B7 C46 B4 60.64(18) . . ?
B12 C46 B4 109.1(2) . . ?
B2 C46 B4 60.65(19) . . ?
C31 B11 C45 121.7(3) . . ?
C31 B11 B7 121.8(3) . . ?
C45 B11 B7 107.8(2) . . ?
C31 B11 B12 121.0(3) . . ?
C45 B11 B12 59.76(18) . . ?
B7 B11 B12 60.39(17) . . ?
C31 B11 B2 120.3(3) . . ?
C45 B11 B2 60.10(19) . . ?
B7 B11 B2 109.5(2) . . ?
B12 B11 B2 109.2(2) . . ?
C31 B11 B4 121.6(3) . . ?
C45 B11 B4 107.9(2) . . ?
B7 B11 B4 60.64(18) . . ?
B12 B11 B4 109.1(2) . . ?
B2 B11 B4 60.65(19) . . ?
C30 C45 B11 120.1(3) . . ?
C30 C45 B12 118.2(3) . . ?
B11 C45 B12 61.04(18) . . ?
C30 C45 B1 121.3(3) . . ?
B11 C45 B1 110.5(2) . . ?
B12 C45 B1 110.9(2) . . ?
C30 C45 B2 121.4(3) . . ?
B11 C45 B2 60.88(19) . . ?
B12 C45 B2 110.9(2) . . ?
B1 C45 B2 61.47(19) . . ?
C30 C45 B9 119.4(3) . . ?
B11 C45 B9 110.3(2) . . ?
B12 C45 B9 61.00(19) . . ?
B1 C45 B9 61.26(19) . . ?
B2 C45 B9 111.1(2) . . ?
C32 B12 C45 121.0(2) . . ?
C32 B12 B10 121.0(2) . . ?
C32 B12 B11 120.2(3) . . ?
C45 B12 B11 59.20(19) . . ?
C32 B12 C46 120.2(3) . . ?
B10 B12 C46 59.20(19) . . ?
C32 B12 B8 124.2(3) . . ?
C45 B12 B8 106.8(2) . . ?
B10 B12 B8 106.8(2) . . ?
B11 B12 B8 107.6(2) . . ?
C46 B12 B8 107.6(2) . . ?
C32 B12 B9 122.1(2) . . ?
C45 B12 B9 59.77(19) . . ?
B10 B12 B9 59.77(19) . . ?
B11 B12 B9 107.8(2) . . ?
C46 B12 B9 107.8(2) . . ?
B8 B12 B9 59.96(18) . . ?
C32 B12 B7 122.4(2) . . ?
C45 B12 B7 106.8(2) . . ?
B10 B12 B7 106.8(2) . . ?
B11 B12 B7 59.78(17) . . ?
C46 B12 B7 59.78(17) . . ?
B8 B12 B7 60.28(17) . . ?
B9 B12 B7 108.4(2) . . ?
C33 B13 B15 120.2(2) . . ?
C33 B13 B18 121.5(3) . . ?
B15 B13 B18 60.07(19) . . ?
C33 B13 B22 123.5(2) . . ?
B15 B13 B22 107.8(2) . . ?
B18 B13 B22 59.92(18) . . ?
C33 B13 B24 123.3(3) . . ?
B15 B13 B24 107.4(2) . . ?
B18 B13 B24 107.7(2) . . ?
B22 B13 B24 59.92(17) . . ?
C33 B13 B14 121.7(3) . . ?
B15 B13 B14 59.59(18) . . ?
B18 B13 B14 107.4(2) . . ?
B22 B13 B14 107.2(2) . . ?
B24 B13 B14 59.43(18) . . ?
C34 B14 C47 120.8(2) . . ?
C34 B14 B16 120.8(2) . . ?
C34 B14 B23 120.4(3) . . ?
C47 B14 B23 59.60(18) . . ?
B16 B14 B23 59.60(18) . . ?
C34 B14 B24 121.8(3) . . ?
C47 B14 B24 108.0(2) . . ?
B16 B14 B24 108.0(2) . . ?
B23 B14 B24 60.36(18) . . ?
C34 B14 B15 122.0(3) . . ?
C47 B14 B15 60.25(18) . . ?
B16 B14 B15 60.25(18) . . ?
B23 B14 B15 108.2(2) . . ?
B24 B14 B15 108.4(2) . . ?
C34 B14 B13 123.0(3) . . ?
C47 B14 B13 108.0(2) . . ?
B16 B14 B13 108.0(2) . . ?
B23 B14 B13 108.4(2) . . ?
B24 B14 B13 60.25(17) . . ?
B15 B14 B13 59.99(18) . . ?
C35 B15 B17 122.0(3) . . ?
C35 B15 C48 122.0(3) . . ?
C35 B15 C47 120.3(3) . . ?
B17 B15 C47 59.36(18) . . ?
C35 B15 B16 120.3(3) . . ?
C48 B15 B16 59.36(18) . . ?
C35 B15 B14 121.4(3) . . ?
B17 B15 B14 106.7(2) . . ?
C48 B15 B14 106.7(2) . . ?
C47 B15 B14 59.39(18) . . ?
B16 B15 B14 59.39(18) . . ?
C35 B15 B13 123.3(3) . . ?
B17 B15 B13 107.1(2) . . ?
C48 B15 B13 107.1(2) . . ?
C47 B15 B13 107.7(2) . . ?
B16 B15 B13 107.7(2) . . ?
B14 B15 B13 60.42(18) . . ?
C35 B15 B18 123.4(3) . . ?
B17 B15 B18 59.49(19) . . ?
C48 B15 B18 59.49(19) . . ?
C47 B15 B18 107.3(2) . . ?
B16 B15 B18 107.3(2) . . ?
B14 B15 B18 107.9(2) . . ?
B13 B15 B18 59.99(18) . . ?
C36 B16 C48 120.8(3) . . ?
C36 B16 B23 122.4(3) . . ?
C48 B16 B23 108.0(2) . . ?
C36 B16 B19 120.3(3) . . ?
C48 B16 B19 60.13(19) . . ?
B23 B16 B19 60.61(18) . . ?
C36 B16 B14 122.3(3) . . ?
C48 B16 B14 107.8(2) . . ?
B23 B16 B14 60.63(18) . . ?
B19 B16 B14 109.5(2) . . ?
C36 B16 B15 120.5(3) . . ?
C48 B16 B15 59.85(19) . . ?
B23 B16 B15 109.1(2) . . ?
B19 B16 B15 109.3(2) . . ?
B14 B16 B15 60.36(19) . . ?
C37 C48 B16 120.3(3) . . ?
C37 C48 B19 120.0(3) . . ?
B16 C48 B19 60.22(19) . . ?
C37 C48 B15 120.2(3) . . ?
B16 C48 B15 60.80(19) . . ?
B19 C48 B15 110.1(2) . . ?
C37 C48 B18 121.1(3) . . ?
B16 C48 B18 109.7(2) . . ?
B19 C48 B18 110.4(2) . . ?
B15 C48 B18 61.05(19) . . ?
C37 C48 B20 121.1(3) . . ?
B16 C48 B20 109.2(2) . . ?
B19 C48 B20 60.93(18) . . ?
B15 C48 B20 110.4(2) . . ?
B18 C48 B20 61.11(18) . . ?
C37 B17 C47 120.3(3) . . ?
C37 B17 B19 120.0(3) . . ?
C47 B17 B19 60.22(19) . . ?
C37 B17 B15 120.2(3) . . ?
C47 B17 B15 60.80(19) . . ?
B19 B17 B15 110.1(2) . . ?
C37 B17 B18 121.1(3) . . ?
C47 B17 B18 109.7(2) . . ?
B19 B17 B18 110.4(2) . . ?
B15 B17 B18 61.05(19) . . ?
C37 B17 B20 121.1(3) . . ?
C47 B17 B20 109.2(2) . . ?
B19 B17 B20 60.93(18) . . ?
B15 B17 B20 110.4(2) . . ?
B18 B17 B20 61.11(18) . . ?
C36 C47 B17 120.8(3) . . ?
C36 C47 B23 122.4(3) . . ?
B17 C47 B23 108.0(2) . . ?
C36 C47 B19 120.3(3) . . ?
B17 C47 B19 60.13(19) . . ?
B23 C47 B19 60.61(18) . . ?
C36 C47 B14 122.3(3) . . ?
B17 C47 B14 107.8(2) . . ?
B23 C47 B14 60.63(18) . . ?
B19 C47 B14 109.5(2) . . ?
C36 C47 B15 120.5(3) . . ?
B17 C47 B15 59.85(19) . . ?
B23 C47 B15 109.1(2) . . ?
B19 C47 B15 109.3(2) . . ?
B14 C47 B15 60.36(19) . . ?
C38 B18 B17 121.8(3) . . ?
C38 B18 C48 121.8(3) . . ?
C38 B18 B22 122.4(3) . . ?
B17 B18 B22 107.0(2) . . ?
C48 B18 B22 107.0(2) . . ?
C38 B18 B13 122.8(3) . . ?
B17 B18 B13 107.1(2) . . ?
C48 B18 B13 107.1(2) . . ?
B22 B18 B13 60.06(17) . . ?
C38 B18 B15 122.1(3) . . ?
B17 B18 B15 59.46(18) . . ?
C48 B18 B15 59.46(18) . . ?
B22 B18 B15 107.8(2) . . ?
B13 B18 B15 59.94(18) . . ?
C38 B18 B20 120.8(3) . . ?
B17 B18 B20 59.50(18) . . ?
C48 B18 B20 59.50(18) . . ?
B22 B18 B20 60.19(18) . . ?
B13 B18 B20 108.3(2) . . ?
B15 B18 B20 107.8(2) . . ?
C39 B19 B17 121.3(3) . . ?
C39 B19 C48 121.3(3) . . ?
C39 B19 C47 121.3(3) . . ?
B17 B19 C47 59.66(19) . . ?
C39 B19 B16 121.3(3) . . ?
C48 B19 B16 59.66(19) . . ?
C39 B19 B23 123.1(3) . . ?
B17 B19 B23 106.9(2) . . ?
C48 B19 B23 106.9(2) . . ?
C47 B19 B23 59.61(18) . . ?
B16 B19 B23 59.61(18) . . ?
C39 B19 B20 121.5(3) . . ?
B17 B19 B20 59.63(18) . . ?
C48 B19 B20 59.63(18) . . ?
C47 B19 B20 107.8(2) . . ?
B16 B19 B20 107.8(2) . . ?
B23 B19 B20 107.7(2) . . ?
C39 B19 B21 123.7(3) . . ?
B17 B19 B21 106.8(2) . . ?
C48 B19 B21 106.8(2) . . ?
C47 B19 B21 107.0(2) . . ?
B16 B19 B21 107.0(2) . . ?
B23 B19 B21 59.39(18) . . ?
B20 B19 B21 60.06(18) . . ?
C40 B20 B17 121.8(3) . . ?
C40 B20 C48 121.8(3) . . ?
C40 B20 B19 119.9(3) . . ?
B17 B20 B19 59.44(18) . . ?
C48 B20 B19 59.44(18) . . ?
C40 B20 B21 122.1(3) . . ?
B17 B20 B21 106.6(2) . . ?
C48 B20 B21 106.6(2) . . ?
B19 B20 B21 60.07(18) . . ?
C40 B20 B18 122.8(3) . . ?
B17 B20 B18 59.38(19) . . ?
C48 B20 B18 59.38(19) . . ?
B19 B20 B18 107.8(2) . . ?
B21 B20 B18 107.7(2) . . ?
C40 B20 B22 123.7(3) . . ?
B17 B20 B22 106.5(2) . . ?
C48 B20 B22 106.5(2) . . ?
B19 B20 B22 108.1(2) . . ?
B21 B20 B22 60.08(17) . . ?
B18 B20 B22 59.73(17) . . ?
C41 B21 B23 122.0(3) . . ?
C41 B21 B24 121.1(3) . . ?
B23 B21 B24 60.39(18) . . ?
C41 B21 B20 121.8(3) . . ?
B23 B21 B20 108.0(2) . . ?
B24 B21 B20 108.1(2) . . ?
C41 B21 B19 122.4(3) . . ?
B23 B21 B19 59.92(18) . . ?
B24 B21 B19 108.2(2) . . ?
B20 B21 B19 59.87(18) . . ?
C41 B21 B22 121.1(2) . . ?
B23 B21 B22 108.1(2) . . ?
B24 B21 B22 59.92(17) . . ?
B20 B21 B22 60.06(17) . . ?
B19 B21 B22 107.9(2) . . ?
C42 B22 B18 121.3(2) . . ?
C42 B22 B13 122.8(2) . . ?
B18 B22 B13 60.02(18) . . ?
C42 B22 B24 123.0(2) . . ?
B18 B22 B24 108.0(2) . . ?
B13 B22 B24 60.17(18) . . ?
C42 B22 B20 120.2(2) . . ?
B18 B22 B20 60.08(18) . . ?
B13 B22 B20 108.2(2) . . ?
B24 B22 B20 107.9(2) . . ?
C42 B22 B21 121.4(2) . . ?
B18 B22 B21 107.8(2) . . ?
B13 B22 B21 108.0(2) . . ?
B24 B22 B21 59.83(17) . . ?
B20 B22 B21 59.85(17) . . ?
C43 B23 C47 121.3(3) . . ?
C43 B23 B16 121.3(3) . . ?
C43 B23 B21 122.6(3) . . ?
C47 B23 B21 108.1(2) . . ?
B16 B23 B21 108.1(2) . . ?
C43 B23 B19 122.2(3) . . ?
C47 B23 B19 59.78(18) . . ?
B16 B23 B19 59.78(18) . . ?
B21 B23 B19 60.69(18) . . ?
C43 B23 B14 120.4(3) . . ?
C47 B23 B14 59.78(18) . . ?
B16 B23 B14 59.78(18) . . ?
B21 B23 B14 108.3(2) . . ?
B19 B23 B14 108.1(2) . . ?
C43 B23 B24 121.4(3) . . ?
C47 B23 B24 107.7(2) . . ?
B16 B23 B24 107.7(2) . . ?
B21 B23 B24 60.36(17) . . ?
B19 B23 B24 108.8(2) . . ?
B14 B23 B24 59.85(18) . . ?
C44 B24 B14 121.7(2) . . ?
C44 B24 B21 121.8(3) . . ?
B14 B24 B21 107.3(2) . . ?
C44 B24 B23 121.6(3) . . ?
B14 B24 B23 59.79(18) . . ?
B21 B24 B23 59.25(17) . . ?
C44 B24 B22 122.2(2) . . ?
B14 B24 B22 107.9(2) . . ?
B21 B24 B22 60.25(17) . . ?
B23 B24 B22 107.5(2) . . ?
C44 B24 B13 121.9(3) . . ?
B14 B24 B13 60.33(18) . . ?
B21 B24 B13 108.1(2) . . ?
B23 B24 B13 108.0(2) . . ?
B22 B24 B13 59.91(18) . . ?
C1 S1 C2 95.41(12) . . ?
C1 S2 C3 95.59(12) . . ?
C2 S3 C4 100.87(14) . . ?
C3 S4 C5 99.19(14) . . ?
C6 S5 C7 95.70(12) . . ?
C6 S6 C8 95.54(12) . . ?
C7 S7 C9 96.82(13) . . ?
C8 S8 C10 103.95(14) . . ?
C11 S9 C12 95.58(13) . . ?
C11 S10 C13 95.58(13) . . ?
C12 S11 C14 102.86(14) . . ?
C13 S12 C15 97.53(14) . . ?
C16 S13 C17 96.01(13) . . ?
C16 S14 C18 95.45(13) . . ?
C17 S15 C19 99.05(14) . . ?
C18 S16 C20 101.73(14) . . ?

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
S3 C2 C3 S4 -1.9(4) . . . . ?
S1 C2 C3 S4 -179.23(16) . . . . ?
S3 C2 C3 S2 177.07(17) . . . . ?
S1 C2 C3 S2 -0.3(3) . . . . ?
S3 C4 C5 S4 -72.4(3) . . . . ?
S2 C1 C6 S5 -178.29(13) . . . . ?
S1 C1 C6 S5 -5.1(3) . . . . ?
S2 C1 C6 S6 0.4(3) . . . . ?
S1 C1 C6 S6 173.52(13) . . . . ?
S5 C7 C8 S6 0.3(3) . . . . ?
S7 C7 C8 S6 175.54(15) . . . . ?
S5 C7 C8 S8 -176.09(16) . . . . ?
S7 C7 C8 S8 -0.8(4) . . . . ?
S7 C9 C10 S8 -61.1(4) . . . . ?
S11 C12 C13 S10 174.99(16) . . . . ?
S9 C12 C13 S10 -0.1(3) . . . . ?
S11 C12 C13 S12 0.9(4) . . . . ?
S9 C12 C13 S12 -174.21(16) . . . . ?
S11 C14 C15 S12 69.2(3) . . . . ?
S10 C11 C16 S13 175.36(14) . . . . ?
S9 C11 C16 S13 -1.4(3) . . . . ?
S10 C11 C16 S14 -0.4(3) . . . . ?
S9 C11 C16 S14 -177.12(14) . . . . ?
S13 C17 C18 S14 -0.8(3) . . . . ?
S15 C17 C18 S14 -178.62(17) . . . . ?
S13 C17 C18 S16 178.20(19) . . . . ?
S15 C17 C18 S16 0.3(5) . . . . ?
S15 C19 C20 S16 72.7(3) . . . . ?
C21 B1 B2 C22 -2.0(5) . . . . ?
C45 B1 B2 C22 109.5(3) . . . . ?
B10 B1 B2 C22 109.5(3) . . . . ?
B6 B1 B2 C22 -151.4(3) . . . . ?
B9 B1 B2 C22 145.2(3) . . . . ?
B3 B1 B2 C22 -114.3(3) . . . . ?
C21 B1 B2 C45 -111.5(3) . . . . ?
B6 B1 B2 C45 99.1(2) . . . . ?
B9 B1 B2 C45 35.7(2) . . . . ?
B3 B1 B2 C45 136.2(2) . . . . ?
C21 B1 B2 B10 -111.5(3) . . . . ?
B6 B1 B2 B10 99.1(2) . . . . ?
B9 B1 B2 B10 35.7(2) . . . . ?
B3 B1 B2 B10 136.2(2) . . . . ?
C21 B1 B2 B11 -147.2(3) . . . . ?
C45 B1 B2 B11 -35.7(2) . . . . ?
B6 B1 B2 B11 63.4(3) . . . . ?
B9 B1 B2 B11 0.0(3) . . . . ?
B3 B1 B2 B11 100.5(2) . . . . ?
C21 B1 B2 C46 -147.2(3) . . . . ?
B10 B1 B2 C46 -35.7(2) . . . . ?
B6 B1 B2 C46 63.4(3) . . . . ?
B9 B1 B2 C46 0.0(3) . . . . ?
B3 B1 B2 C46 100.5(2) . . . . ?
C21 B1 B2 B3 112.3(3) . . . . ?
C45 B1 B2 B3 -136.2(2) . . . . ?
B10 B1 B2 B3 -136.2(2) . . . . ?
B6 B1 B2 B3 -37.1(2) . . . . ?
B9 B1 B2 B3 -100.5(3) . . . . ?
C21 B1 B2 B4 149.8(3) . . . . ?
C45 B1 B2 B4 -98.7(2) . . . . ?
B10 B1 B2 B4 -98.7(2) . . . . ?
B6 B1 B2 B4 0.4(3) . . . . ?
B9 B1 B2 B4 -63.0(3) . . . . ?
B3 B1 B2 B4 37.5(2) . . . . ?
C22 B2 B3 C23 -1.9(5) . . . . ?
C45 B2 B3 C23 -149.2(3) . . . . ?
B10 B2 B3 C23 -149.2(3) . . . . ?
B11 B2 B3 C23 148.8(3) . . . . ?
C46 B2 B3 C23 148.8(3) . . . . ?
B4 B2 B3 C23 110.9(3) . . . . ?
B1 B2 B3 C23 -111.0(3) . . . . ?
C22 B2 B3 B6 146.4(3) . . . . ?
C45 B2 B3 B6 -0.9(3) . . . . ?
B10 B2 B3 B6 -0.9(3) . . . . ?
B11 B2 B3 B6 -62.9(3) . . . . ?
C46 B2 B3 B6 -62.9(3) . . . . ?
B4 B2 B3 B6 -100.8(2) . . . . ?
B1 B2 B3 B6 37.3(2) . . . . ?
C22 B2 B3 B4 -112.8(4) . . . . ?
C45 B2 B3 B4 99.8(2) . . . . ?
B10 B2 B3 B4 99.8(2) . . . . ?
B11 B2 B3 B4 37.9(2) . . . . ?
C46 B2 B3 B4 37.9(2) . . . . ?
B1 B2 B3 B4 138.0(2) . . . . ?
C22 B2 B3 B1 109.1(4) . . . . ?
C45 B2 B3 B1 -38.2(2) . . . . ?
B10 B2 B3 B1 -38.2(2) . . . . ?
B11 B2 B3 B1 -100.1(3) . . . . ?
C46 B2 B3 B1 -100.1(3) . . . . ?
B4 B2 B3 B1 -138.0(2) . . . . ?
C22 B2 B3 B5 -150.1(3) . . . . ?
C45 B2 B3 B5 62.6(3) . . . . ?
B10 B2 B3 B5 62.6(3) . . . . ?
B11 B2 B3 B5 0.7(3) . . . . ?
C46 B2 B3 B5 0.7(3) . . . . ?
B4 B2 B3 B5 -37.2(2) . . . . ?
B1 B2 B3 B5 100.8(2) . . . . ?
C21 B1 B3 C23 -0.3(5) . . . . ?
C45 B1 B3 C23 148.3(3) . . . . ?
B10 B1 B3 C23 148.3(3) . . . . ?
B6 B1 B3 C23 -111.7(3) . . . . ?
B9 B1 B3 C23 -149.2(3) . . . . ?
B2 B1 B3 C23 110.0(3) . . . . ?
C21 B1 B3 B6 111.4(3) . . . . ?
C45 B1 B3 B6 -100.0(2) . . . . ?
B10 B1 B3 B6 -100.0(2) . . . . ?
B9 B1 B3 B6 -37.5(2) . . . . ?
B2 B1 B3 B6 -138.3(2) . . . . ?
C21 B1 B3 B2 -110.2(3) . . . . ?
C45 B1 B3 B2 38.3(2) . . . . ?
B10 B1 B3 B2 38.3(2) . . . . ?
B6 B1 B3 B2 138.3(2) . . . . ?
B9 B1 B3 B2 100.9(3) . . . . ?
C21 B1 B3 B4 -147.9(3) . . . . ?
C45 B1 B3 B4 0.7(3) . . . . ?
B10 B1 B3 B4 0.7(3) . . . . ?
B6 B1 B3 B4 100.7(2) . . . . ?
B9 B1 B3 B4 63.2(3) . . . . ?
B2 B1 B3 B4 -37.6(2) . . . . ?
C21 B1 B3 B5 148.8(3) . . . . ?
C45 B1 B3 B5 -62.6(3) . . . . ?
B10 B1 B3 B5 -62.6(3) . . . . ?
B6 B1 B3 B5 37.4(2) . . . . ?
B9 B1 B3 B5 -0.1(3) . . . . ?
B2 B1 B3 B5 -101.0(2) . . . . ?
C23 B3 B4 C24 -0.1(5) . . . . ?
B6 B3 B4 C24 -149.1(3) . . . . ?
B2 B3 B4 C24 109.8(3) . . . . ?
B1 B3 B4 C24 147.5(3) . . . . ?
B5 B3 B4 C24 -111.9(3) . . . . ?
C23 B3 B4 B11 -147.7(3) . . . . ?
B6 B3 B4 B11 63.3(3) . . . . ?
B2 B3 B4 B11 -37.7(2) . . . . ?
B1 B3 B4 B11 -0.1(3) . . . . ?
B5 B3 B4 B11 100.6(2) . . . . ?
C23 B3 B4 C46 -147.7(3) . . . . ?
B6 B3 B4 C46 63.3(3) . . . . ?
B2 B3 B4 C46 -37.7(2) . . . . ?
B1 B3 B4 C46 -0.1(3) . . . . ?
B5 B3 B4 C46 100.6(2) . . . . ?
C23 B3 B4 B5 111.8(3) . . . . ?
B6 B3 B4 B5 -37.2(2) . . . . ?
B2 B3 B4 B5 -138.3(2) . . . . ?
B1 B3 B4 B5 -100.6(2) . . . . ?
C23 B3 B4 B7 149.5(3) . . . . ?
B6 B3 B4 B7 0.6(3) . . . . ?
B2 B3 B4 B7 -100.5(2) . . . . ?
B1 B3 B4 B7 -62.9(3) . . . . ?
B5 B3 B4 B7 37.8(2) . . . . ?
C23 B3 B4 B2 -109.9(3) . . . . ?
B6 B3 B4 B2 101.1(2) . . . . ?
B1 B3 B4 B2 37.7(2) . . . . ?
B5 B3 B4 B2 138.3(2) . . . . ?
C22 B2 B4 C24 1.4(5) . . . . ?
C45 B2 B4 C24 148.5(3) . . . . ?
B10 B2 B4 C24 148.5(3) . . . . ?
B11 B2 B4 C24 111.0(3) . . . . ?
C46 B2 B4 C24 111.0(3) . . . . ?
B3 B2 B4 C24 -111.8(3) . . . . ?
B1 B2 B4 C24 -149.3(3) . . . . ?
C22 B2 B4 B11 -109.5(4) . . . . ?
C45 B2 B4 B11 37.6(2) . . . . ?
B3 B2 B4 B11 137.3(2) . . . . ?
B1 B2 B4 B11 99.7(2) . . . . ?
C22 B2 B4 C46 -109.5(4) . . . . ?
B10 B2 B4 C46 37.6(2) . . . . ?
B3 B2 B4 C46 137.3(2) . . . . ?
B1 B2 B4 C46 99.7(2) . . . . ?
C22 B2 B4 B5 150.6(3) . . . . ?
C45 B2 B4 B5 -62.3(3) . . . . ?
B10 B2 B4 B5 -62.3(3) . . . . ?
B11 B2 B4 B5 -99.9(2) . . . . ?
C46 B2 B4 B5 -99.9(2) . . . . ?
B3 B2 B4 B5 37.4(2) . . . . ?
B1 B2 B4 B5 -0.1(3) . . . . ?
C22 B2 B4 B3 113.2(4) . . . . ?
C45 B2 B4 B3 -99.7(2) . . . . ?
B10 B2 B4 B3 -99.7(2) . . . . ?
B11 B2 B4 B3 -137.3(2) . . . . ?
C46 B2 B4 B3 -137.3(2) . . . . ?
B1 B2 B4 B3 -37.5(2) . . . . ?
C22 B2 B4 B7 -145.8(3) . . . . ?
C45 B2 B4 B7 1.3(3) . . . . ?
B10 B2 B4 B7 1.3(3) . . . . ?
B11 B2 B4 B7 -36.3(2) . . . . ?
C46 B2 B4 B7 -36.3(2) . . . . ?
B3 B2 B4 B7 101.0(2) . . . . ?
B1 B2 B4 B7 63.4(3) . . . . ?
C24 B4 B5 C25 0.3(4) . . . . ?
B11 B4 B5 C25 148.8(3) . . . . ?
C46 B4 B5 C25 148.8(3) . . . . ?
B3 B4 B5 C25 -111.1(3) . . . . ?
B7 B4 B5 C25 111.1(3) . . . . ?
B2 B4 B5 C25 -148.3(3) . . . . ?
C24 B4 B5 B6 148.4(3) . . . . ?
B11 B4 B5 B6 -63.0(3) . . . . ?
C46 B4 B5 B6 -63.0(3) . . . . ?
B3 B4 B5 B6 37.1(2) . . . . ?
B7 B4 B5 B6 -100.8(2) . . . . ?
B2 B4 B5 B6 -0.2(3) . . . . ?
C24 B4 B5 B8 -148.1(3) . . . . ?
B11 B4 B5 B8 0.4(3) . . . . ?
C46 B4 B5 B8 0.4(3) . . . . ?
B3 B4 B5 B8 100.5(2) . . . . ?
B7 B4 B5 B8 -37.3(2) . . . . ?
B2 B4 B5 B8 63.3(3) . . . . ?
C24 B4 B5 B7 -110.8(3) . . . . ?
B11 B4 B5 B7 37.7(2) . . . . ?
C46 B4 B5 B7 37.7(2) . . . . ?
B3 B4 B5 B7 137.8(2) . . . . ?
B2 B4 B5 B7 100.6(2) . . . . ?
C24 B4 B5 B3 111.4(3) . . . . ?
B11 B4 B5 B3 -100.1(2) . . . . ?
C46 B4 B5 B3 -100.1(2) . . . . ?
B7 B4 B5 B3 -137.8(2) . . . . ?
B2 B4 B5 B3 -37.2(2) . . . . ?
C23 B3 B5 C25 0.5(4) . . . . ?
B6 B3 B5 C25 -110.9(3) . . . . ?
B2 B3 B5 C25 148.0(3) . . . . ?
B4 B3 B5 C25 110.7(3) . . . . ?
B1 B3 B5 C25 -148.3(3) . . . . ?
C23 B3 B5 B4 -110.2(3) . . . . ?
B6 B3 B5 B4 138.4(2) . . . . ?
B2 B3 B5 B4 37.4(2) . . . . ?
B1 B3 B5 B4 101.1(2) . . . . ?
C23 B3 B5 B6 111.4(3) . . . . ?
B2 B3 B5 B6 -101.1(2) . . . . ?
B4 B3 B5 B6 -138.4(2) . . . . ?
B1 B3 B5 B6 -37.4(2) . . . . ?
C23 B3 B5 B8 149.0(3) . . . . ?
B6 B3 B5 B8 37.6(2) . . . . ?
B2 B3 B5 B8 -63.4(3) . . . . ?
B4 B3 B5 B8 -100.8(2) . . . . ?
B1 B3 B5 B8 0.3(3) . . . . ?
C23 B3 B5 B7 -147.8(3) . . . . ?
B6 B3 B5 B7 100.8(2) . . . . ?
B2 B3 B5 B7 -0.3(3) . . . . ?
B4 B3 B5 B7 -37.6(2) . . . . ?
B1 B3 B5 B7 63.4(3) . . . . ?
C23 B3 B6 C26 -0.8(5) . . . . ?
B2 B3 B6 C26 -148.5(3) . . . . ?
B4 B3 B6 C26 147.8(3) . . . . ?
B1 B3 B6 C26 -111.1(3) . . . . ?
B5 B3 B6 C26 110.7(3) . . . . ?
C23 B3 B6 B1 110.3(3) . . . . ?
B2 B3 B6 B1 -37.4(2) . . . . ?
B4 B3 B6 B1 -101.0(2) . . . . ?
B5 B3 B6 B1 -138.2(2) . . . . ?
C23 B3 B6 B9 147.9(3) . . . . ?
B2 B3 B6 B9 0.2(3) . . . . ?
B4 B3 B6 B9 -63.4(3) . . . . ?
B1 B3 B6 B9 37.6(2) . . . . ?
B5 B3 B6 B9 -100.6(2) . . . . ?
C23 B3 B6 B5 -111.5(3) . . . . ?
B2 B3 B6 B5 100.8(2) . . . . ?
B4 B3 B6 B5 37.1(2) . . . . ?
B1 B3 B6 B5 138.2(2) . . . . ?
C23 B3 B6 B8 -149.1(3) . . . . ?
B2 B3 B6 B8 63.2(3) . . . . ?
B4 B3 B6 B8 -0.5(3) . . . . ?
B1 B3 B6 B8 100.6(2) . . . . ?
B5 B3 B6 B8 -37.6(2) . . . . ?
C21 B1 B6 C26 -0.7(4) . . . . ?
C45 B1 B6 C26 -149.2(3) . . . . ?
B10 B1 B6 C26 -149.2(3) . . . . ?
B9 B1 B6 C26 -110.7(3) . . . . ?
B3 B1 B6 C26 111.3(3) . . . . ?
B2 B1 B6 C26 148.4(3) . . . . ?
C21 B1 B6 B3 -112.0(3) . . . . ?
C45 B1 B6 B3 99.5(2) . . . . ?
B10 B1 B6 B3 99.5(2) . . . . ?
B9 B1 B6 B3 138.0(2) . . . . ?
B2 B1 B6 B3 37.1(2) . . . . ?
C21 B1 B6 B9 110.0(3) . . . . ?
C45 B1 B6 B9 -38.5(2) . . . . ?
B10 B1 B6 B9 -38.5(2) . . . . ?
B3 B1 B6 B9 -138.0(2) . . . . ?
B2 B1 B6 B9 -101.0(2) . . . . ?
C21 B1 B6 B5 -149.6(3) . . . . ?
C45 B1 B6 B5 61.9(3) . . . . ?
B10 B1 B6 B5 61.9(3) . . . . ?
B9 B1 B6 B5 100.4(2) . . . . ?
B3 B1 B6 B5 -37.6(2) . . . . ?
B2 B1 B6 B5 -0.5(3) . . . . ?
C21 B1 B6 B8 147.0(3) . . . . ?
C45 B1 B6 B8 -1.5(3) . . . . ?
B10 B1 B6 B8 -1.5(3) . . . . ?
B9 B1 B6 B8 37.0(2) . . . . ?
B3 B1 B6 B8 -101.0(2) . . . . ?
B2 B1 B6 B8 -63.9(3) . . . . ?
C25 B5 B6 C26 -0.5(4) . . . . ?
B4 B5 B6 C26 -148.6(3) . . . . ?
B8 B5 B6 C26 110.7(3) . . . . ?
B7 B5 B6 C26 148.0(3) . . . . ?
B3 B5 B6 C26 -111.4(3) . . . . ?
C25 B5 B6 B3 110.9(3) . . . . ?
B4 B5 B6 B3 -37.1(2) . . . . ?
B8 B5 B6 B3 -137.9(2) . . . . ?
B7 B5 B6 B3 -100.5(2) . . . . ?
C25 B5 B6 B1 148.5(3) . . . . ?
B4 B5 B6 B1 0.4(3) . . . . ?
B8 B5 B6 B1 -100.3(2) . . . . ?
B7 B5 B6 B1 -63.0(3) . . . . ?
B3 B5 B6 B1 37.6(2) . . . . ?
C25 B5 B6 B9 -148.0(3) . . . . ?
B4 B5 B6 B9 64.0(3) . . . . ?
B8 B5 B6 B9 -36.8(2) . . . . ?
B7 B5 B6 B9 0.6(3) . . . . ?
B3 B5 B6 B9 101.1(2) . . . . ?
C25 B5 B6 B8 -111.2(3) . . . . ?
B4 B5 B6 B8 100.7(2) . . . . ?
B7 B5 B6 B8 37.4(2) . . . . ?
B3 B5 B6 B8 137.9(2) . . . . ?
C24 B4 B7 C27 -1.3(5) . . . . ?
B11 B4 B7 C27 109.3(3) . . . . ?
C46 B4 B7 C27 109.3(3) . . . . ?
B5 B4 B7 C27 -113.3(3) . . . . ?
B3 B4 B7 C27 -151.1(3) . . . . ?
B2 B4 B7 C27 145.7(3) . . . . ?
C24 B4 B7 B11 -110.6(3) . . . . ?
B5 B4 B7 B11 137.3(2) . . . . ?
B3 B4 B7 B11 99.5(2) . . . . ?
B2 B4 B7 B11 36.3(2) . . . . ?
C24 B4 B7 C46 -110.6(3) . . . . ?
B5 B4 B7 C46 137.3(2) . . . . ?
B3 B4 B7 C46 99.5(2) . . . . ?
B2 B4 B7 C46 36.3(2) . . . . ?
C24 B4 B7 B12 -147.4(3) . . . . ?
B11 B4 B7 B12 -36.8(2) . . . . ?
C46 B4 B7 B12 -36.8(2) . . . . ?
B5 B4 B7 B12 100.5(2) . . . . ?
B3 B4 B7 B12 62.7(3) . . . . ?
B2 B4 B7 B12 -0.5(3) . . . . ?
C24 B4 B7 B8 149.4(3) . . . . ?
B11 B4 B7 B8 -100.0(2) . . . . ?
C46 B4 B7 B8 -100.0(2) . . . . ?
B5 B4 B7 B8 37.4(2) . . . . ?
B3 B4 B7 B8 -0.4(3) . . . . ?
B2 B4 B7 B8 -63.7(3) . . . . ?
C24 B4 B7 B5 112.0(3) . . . . ?
B11 B4 B7 B5 -137.3(2) . . . . ?
C46 B4 B7 B5 -137.3(2) . . . . ?
B3 B4 B7 B5 -37.8(2) . . . . ?
B2 B4 B7 B5 -101.0(2) . . . . ?
C25 B5 B7 C27 0.5(4) . . . . ?
B4 B5 B7 C27 111.3(3) . . . . ?
B6 B5 B7 C27 -148.0(3) . . . . ?
B8 B5 B7 C27 -110.6(3) . . . . ?
B3 B5 B7 C27 148.9(3) . . . . ?
C25 B5 B7 B11 -148.5(3) . . . . ?
B4 B5 B7 B11 -37.8(2) . . . . ?
B6 B5 B7 B11 62.9(3) . . . . ?
B8 B5 B7 B11 100.3(2) . . . . ?
B3 B5 B7 B11 -0.2(3) . . . . ?
C25 B5 B7 C46 -148.5(3) . . . . ?
B4 B5 B7 C46 -37.8(2) . . . . ?
B6 B5 B7 C46 62.9(3) . . . . ?
B8 B5 B7 C46 100.3(2) . . . . ?
B3 B5 B7 C46 -0.2(3) . . . . ?
C25 B5 B7 B12 148.4(3) . . . . ?
B4 B5 B7 B12 -100.9(2) . . . . ?
B6 B5 B7 B12 -0.2(3) . . . . ?
B8 B5 B7 B12 37.3(2) . . . . ?
B3 B5 B7 B12 -63.3(3) . . . . ?
C25 B5 B7 B8 111.1(3) . . . . ?
B4 B5 B7 B8 -138.2(2) . . . . ?
B6 B5 B7 B8 -37.5(2) . . . . ?
B3 B5 B7 B8 -100.6(2) . . . . ?
C25 B5 B7 B4 -110.7(3) . . . . ?
B6 B5 B7 B4 100.7(2) . . . . ?
B8 B5 B7 B4 138.2(2) . . . . ?
B3 B5 B7 B4 37.6(2) . . . . ?
C27 B7 B8 C28 2.3(4) . . . . ?
B11 B7 B8 C28 148.4(3) . . . . ?
C46 B7 B8 C28 148.4(3) . . . . ?
B12 B7 B8 C28 110.6(3) . . . . ?
B4 B7 B8 C28 -148.6(3) . . . . ?
B5 B7 B8 C28 -111.3(3) . . . . ?
C27 B7 B8 B9 -145.4(3) . . . . ?
B11 B7 B8 B9 0.7(3) . . . . ?
C46 B7 B8 B9 0.7(3) . . . . ?
B12 B7 B8 B9 -37.1(2) . . . . ?
B4 B7 B8 B9 63.7(3) . . . . ?
B5 B7 B8 B9 101.0(2) . . . . ?
C27 B7 B8 B12 -108.3(3) . . . . ?
B11 B7 B8 B12 37.8(2) . . . . ?
C46 B7 B8 B12 37.8(2) . . . . ?
B4 B7 B8 B12 100.8(2) . . . . ?
B5 B7 B8 B12 138.1(2) . . . . ?
C27 B7 B8 B5 113.6(3) . . . . ?
B11 B7 B8 B5 -100.4(2) . . . . ?
C46 B7 B8 B5 -100.4(2) . . . . ?
B12 B7 B8 B5 -138.1(2) . . . . ?
B4 B7 B8 B5 -37.3(2) . . . . ?
C27 B7 B8 B6 151.0(3) . . . . ?
B11 B7 B8 B6 -62.9(3) . . . . ?
C46 B7 B8 B6 -62.9(3) . . . . ?
B12 B7 B8 B6 -100.7(2) . . . . ?
B4 B7 B8 B6 0.1(3) . . . . ?
B5 B7 B8 B6 37.4(2) . . . . ?
C25 B5 B8 C28 -1.0(5) . . . . ?
B4 B5 B8 C28 147.2(3) . . . . ?
B6 B5 B8 C28 -112.0(3) . . . . ?
B7 B5 B8 C28 109.9(3) . . . . ?
B3 B5 B8 C28 -149.5(3) . . . . ?
C25 B5 B8 B9 148.1(3) . . . . ?
B4 B5 B8 B9 -63.6(3) . . . . ?
B6 B5 B8 B9 37.1(2) . . . . ?
B7 B5 B8 B9 -101.0(2) . . . . ?
B3 B5 B8 B9 -0.3(3) . . . . ?
C25 B5 B8 B12 -148.3(3) . . . . ?
B4 B5 B8 B12 -0.1(3) . . . . ?
B6 B5 B8 B12 100.7(2) . . . . ?
B7 B5 B8 B12 -37.4(2) . . . . ?
B3 B5 B8 B12 63.2(3) . . . . ?
C25 B5 B8 B7 -110.9(3) . . . . ?
B4 B5 B8 B7 37.4(2) . . . . ?
B6 B5 B8 B7 138.1(2) . . . . ?
B3 B5 B8 B7 100.7(2) . . . . ?
C25 B5 B8 B6 111.0(3) . . . . ?
B4 B5 B8 B6 -100.8(2) . . . . ?
B7 B5 B8 B6 -138.1(2) . . . . ?
B3 B5 B8 B6 -37.5(2) . . . . ?
C26 B6 B8 C28 -0.2(5) . . . . ?
B3 B6 B8 C28 148.3(3) . . . . ?
B1 B6 B8 C28 -148.2(3) . . . . ?
B9 B6 B8 C28 -110.9(3) . . . . ?
B5 B6 B8 C28 110.5(3) . . . . ?
C26 B6 B8 B9 110.6(3) . . . . ?
B3 B6 B8 B9 -100.9(3) . . . . ?
B1 B6 B8 B9 -37.3(2) . . . . ?
B5 B6 B8 B9 -138.6(2) . . . . ?
C26 B6 B8 B12 148.4(3) . . . . ?
B3 B6 B8 B12 -63.1(3) . . . . ?
B1 B6 B8 B12 0.4(3) . . . . ?
B9 B6 B8 B12 37.7(2) . . . . ?
B5 B6 B8 B12 -100.9(2) . . . . ?
C26 B6 B8 B7 -148.3(3) . . . . ?
B3 B6 B8 B7 0.2(3) . . . . ?
B1 B6 B8 B7 63.8(3) . . . . ?
B9 B6 B8 B7 101.1(2) . . . . ?
B5 B6 B8 B7 -37.5(2) . . . . ?
C26 B6 B8 B5 -110.8(3) . . . . ?
B3 B6 B8 B5 37.7(2) . . . . ?
B1 B6 B8 B5 101.3(2) . . . . ?
B9 B6 B8 B5 138.6(2) . . . . ?
C28 B8 B9 C29 -0.2(5) . . . . ?
B12 B8 B9 C29 110.0(3) . . . . ?
B7 B8 B9 C29 147.1(3) . . . . ?
B5 B8 B9 C29 -149.3(3) . . . . ?
B6 B8 B9 C29 -112.2(4) . . . . ?
C28 B8 B9 C45 -148.3(3) . . . . ?
B12 B8 B9 C45 -38.1(2) . . . . ?
B7 B8 B9 C45 -1.1(3) . . . . ?
B5 B8 B9 C45 62.6(3) . . . . ?
B6 B8 B9 C45 99.7(2) . . . . ?
C28 B8 B9 B10 -148.3(3) . . . . ?
B12 B8 B9 B10 -38.1(2) . . . . ?
B7 B8 B9 B10 -1.1(3) . . . . ?
B5 B8 B9 B10 62.6(3) . . . . ?
B6 B8 B9 B10 99.7(2) . . . . ?
C28 B8 B9 B12 -110.2(3) . . . . ?
B7 B8 B9 B12 37.1(2) . . . . ?
B5 B8 B9 B12 100.7(2) . . . . ?
B6 B8 B9 B12 137.8(2) . . . . ?
C28 B8 B9 B6 112.0(3) . . . . ?
B12 B8 B9 B6 -137.8(2) . . . . ?
B7 B8 B9 B6 -100.7(2) . . . . ?
B5 B8 B9 B6 -37.1(2) . . . . ?
C28 B8 B9 B1 149.3(3) . . . . ?
B12 B8 B9 B1 -100.5(3) . . . . ?
B7 B8 B9 B1 -63.4(3) . . . . ?
B5 B8 B9 B1 0.3(3) . . . . ?
B6 B8 B9 B1 37.3(2) . . . . ?
C26 B6 B9 C29 2.3(5) . . . . ?
B3 B6 B9 C29 -146.6(3) . . . . ?
B1 B6 B9 C29 -108.9(3) . . . . ?
B5 B6 B9 C29 149.8(3) . . . . ?
B8 B6 B9 C29 112.8(3) . . . . ?
C26 B6 B9 C45 149.5(3) . . . . ?
B3 B6 B9 C45 0.6(3) . . . . ?
B1 B6 B9 C45 38.3(2) . . . . ?
B5 B6 B9 C45 -63.0(3) . . . . ?
B8 B6 B9 C45 -100.0(2) . . . . ?
C26 B6 B9 B10 149.5(3) . . . . ?
B3 B6 B9 B10 0.6(3) . . . . ?
B1 B6 B9 B10 38.3(2) . . . . ?
B5 B6 B9 B10 -63.0(3) . . . . ?
B8 B6 B9 B10 -100.0(2) . . . . ?
C26 B6 B9 B8 -110.5(3) . . . . ?
B3 B6 B9 B8 100.6(2) . . . . ?
B1 B6 B9 B8 138.3(2) . . . . ?
B5 B6 B9 B8 37.0(2) . . . . ?
C26 B6 B9 B12 -148.2(3) . . . . ?
B3 B6 B9 B12 62.9(3) . . . . ?
B1 B6 B9 B12 100.6(3) . . . . ?
B5 B6 B9 B12 -0.7(3) . . . . ?
B8 B6 B9 B12 -37.7(2) . . . . ?
C26 B6 B9 B1 111.3(3) . . . . ?
B3 B6 B9 B1 -37.7(2) . . . . ?
B5 B6 B9 B1 -101.3(2) . . . . ?
B8 B6 B9 B1 -138.3(2) . . . . ?
C21 B1 B9 C29 1.0(5) . . . . ?
C45 B1 B9 C29 -110.8(4) . . . . ?
B10 B1 B9 C29 -110.8(4) . . . . ?
B6 B1 B9 C29 113.1(4) . . . . ?
B3 B1 B9 C29 150.5(3) . . . . ?
B2 B1 B9 C29 -146.4(3) . . . . ?
C21 B1 B9 C45 111.7(3) . . . . ?
B6 B1 B9 C45 -136.2(2) . . . . ?
B3 B1 B9 C45 -98.8(2) . . . . ?
B2 B1 B9 C45 -35.7(2) . . . . ?
C21 B1 B9 B10 111.7(3) . . . . ?
B6 B1 B9 B10 -136.2(2) . . . . ?
B3 B1 B9 B10 -98.8(2) . . . . ?
B2 B1 B9 B10 -35.7(2) . . . . ?
C21 B1 B9 B8 -149.6(3) . . . . ?
C45 B1 B9 B8 98.6(3) . . . . ?
B10 B1 B9 B8 98.6(3) . . . . ?
B6 B1 B9 B8 -37.5(2) . . . . ?
B3 B1 B9 B8 -0.1(3) . . . . ?
B2 B1 B9 B8 63.0(3) . . . . ?
C21 B1 B9 B12 146.9(3) . . . . ?
C45 B1 B9 B12 35.2(2) . . . . ?
B10 B1 B9 B12 35.2(2) . . . . ?
B6 B1 B9 B12 -101.0(2) . . . . ?
B3 B1 B9 B12 -63.5(3) . . . . ?
B2 B1 B9 B12 -0.5(3) . . . . ?
C21 B1 B9 B6 -112.1(3) . . . . ?
C45 B1 B9 B6 136.2(2) . . . . ?
B10 B1 B9 B6 136.2(2) . . . . ?
B3 B1 B9 B6 37.4(2) . . . . ?
B2 B1 B9 B6 100.5(3) . . . . ?
C21 B1 B10 C30 -1.0(5) . . . . ?
B6 B1 B10 C30 147.5(3) . . . . ?
B9 B1 B10 C30 108.8(4) . . . . ?
B3 B1 B10 C30 -149.8(3) . . . . ?
B2 B1 B10 C30 -111.3(4) . . . . ?
C21 B1 B10 C46 147.7(3) . . . . ?
B6 B1 B10 C46 -63.8(3) . . . . ?
B9 B1 B10 C46 -102.5(2) . . . . ?
B3 B1 B10 C46 -1.1(3) . . . . ?
B2 B1 B10 C46 37.4(2) . . . . ?
C21 B1 B10 B12 -146.6(3) . . . . ?
B6 B1 B10 B12 2.0(3) . . . . ?
B9 B1 B10 B12 -36.7(2) . . . . ?
B3 B1 B10 B12 64.7(3) . . . . ?
B2 B1 B10 B12 103.1(3) . . . . ?
C21 B1 B10 B2 110.3(3) . . . . ?
B6 B1 B10 B2 -101.2(2) . . . . ?
B9 B1 B10 B2 -139.9(2) . . . . ?
B3 B1 B10 B2 -38.5(2) . . . . ?
C21 B1 B10 B9 -109.8(3) . . . . ?
B6 B1 B10 B9 38.7(2) . . . . ?
B3 B1 B10 B9 101.4(2) . . . . ?
B2 B1 B10 B9 139.9(2) . . . . ?
C22 B2 B10 C30 1.1(5) . . . . ?
C46 B2 B10 C30 -109.4(4) . . . . ?
B3 B2 B10 C30 149.8(3) . . . . ?
B4 B2 B10 C30 -147.3(3) . . . . ?
B1 B2 B10 C30 111.2(4) . . . . ?
C22 B2 B10 C46 110.5(3) . . . . ?
B3 B2 B10 C46 -100.8(2) . . . . ?
B4 B2 B10 C46 -37.9(2) . . . . ?
B1 B2 B10 C46 -139.4(2) . . . . ?
C22 B2 B10 B12 146.8(3) . . . . ?
C46 B2 B10 B12 36.3(2) . . . . ?
B3 B2 B10 B12 -64.5(3) . . . . ?
B4 B2 B10 B12 -1.6(3) . . . . ?
B1 B2 B10 B12 -103.1(3) . . . . ?
C22 B2 B10 B1 -110.1(3) . . . . ?
C46 B2 B10 B1 139.4(2) . . . . ?
B3 B2 B10 B1 38.7(2) . . . . ?
B4 B2 B10 B1 101.5(3) . . . . ?
C22 B2 B10 B9 -147.4(3) . . . . ?
C46 B2 B10 B9 102.1(3) . . . . ?
B3 B2 B10 B9 1.4(3) . . . . ?
B4 B2 B10 B9 64.2(3) . . . . ?
B1 B2 B10 B9 -37.3(2) . . . . ?
C29 B9 B10 C30 -2.5(5) . . . . ?
B8 B9 B10 C30 146.4(3) . . . . ?
B12 B9 B10 C30 107.9(3) . . . . ?
B6 B9 B10 C30 -150.4(3) . . . . ?
B1 B9 B10 C30 -111.8(3) . . . . ?
C29 B9 B10 C46 -147.8(3) . . . . ?
B8 B9 B10 C46 1.1(3) . . . . ?
B12 B9 B10 C46 -37.4(2) . . . . ?
B6 B9 B10 C46 64.3(3) . . . . ?
B1 B9 B10 C46 102.9(3) . . . . ?
C29 B9 B10 B12 -110.4(3) . . . . ?
B8 B9 B10 B12 38.5(2) . . . . ?
B6 B9 B10 B12 101.7(2) . . . . ?
B1 B9 B10 B12 140.3(2) . . . . ?
C29 B9 B10 B1 109.3(3) . . . . ?
B8 B9 B10 B1 -101.8(2) . . . . ?
B12 B9 B10 B1 -140.3(2) . . . . ?
B6 B9 B10 B1 -38.6(2) . . . . ?
C29 B9 B10 B2 146.6(3) . . . . ?
B8 B9 B10 B2 -64.5(3) . . . . ?
B12 B9 B10 B2 -102.9(3) . . . . ?
B6 B9 B10 B2 -1.3(3) . . . . ?
B1 B9 B10 B2 37.4(2) . . . . ?
C30 B10 C46 C31 2.3(5) . . . . ?
B12 B10 C46 C31 109.9(3) . . . . ?
B1 B10 C46 C31 -146.9(3) . . . . ?
B2 B10 C46 C31 -109.2(3) . . . . ?
B9 B10 C46 C31 147.3(3) . . . . ?
C30 B10 C46 B7 -145.7(3) . . . . ?
B12 B10 C46 B7 -38.1(2) . . . . ?
B1 B10 C46 B7 65.1(3) . . . . ?
B2 B10 C46 B7 102.8(2) . . . . ?
B9 B10 C46 B7 -0.7(3) . . . . ?
C30 B10 C46 B12 -107.7(3) . . . . ?
B1 B10 C46 B12 103.2(3) . . . . ?
B2 B10 C46 B12 140.8(2) . . . . ?
B9 B10 C46 B12 37.3(2) . . . . ?
C30 B10 C46 B2 111.5(4) . . . . ?
B12 B10 C46 B2 -140.8(2) . . . . ?
B1 B10 C46 B2 -37.6(2) . . . . ?
B9 B10 C46 B2 -103.5(3) . . . . ?
C30 B10 C46 B4 150.2(3) . . . . ?
B12 B10 C46 B4 -102.1(2) . . . . ?
B1 B10 C46 B4 1.1(3) . . . . ?
B2 B10 C46 B4 38.7(2) . . . . ?
B9 B10 C46 B4 -64.8(3) . . . . ?
C27 B7 C46 C31 -1.4(4) . . . . ?
B12 B7 C46 C31 -110.2(3) . . . . ?
B8 B7 C46 C31 -147.9(3) . . . . ?
B4 B7 C46 C31 111.1(3) . . . . ?
B5 B7 C46 C31 148.9(3) . . . . ?
C27 B7 C46 B10 146.6(3) . . . . ?
B12 B7 C46 B10 37.8(2) . . . . ?
B8 B7 C46 B10 0.0(3) . . . . ?
B4 B7 C46 B10 -101.0(2) . . . . ?
B5 B7 C46 B10 -63.1(3) . . . . ?
C27 B7 C46 B12 108.8(3) . . . . ?
B8 B7 C46 B12 -37.7(2) . . . . ?
B4 B7 C46 B12 -138.8(2) . . . . ?
B5 B7 C46 B12 -100.9(2) . . . . ?
C27 B7 C46 B2 -149.6(3) . . . . ?
B12 B7 C46 B2 101.6(3) . . . . ?
B8 B7 C46 B2 63.8(3) . . . . ?
B4 B7 C46 B2 -37.2(2) . . . . ?
B5 B7 C46 B2 0.6(3) . . . . ?
C27 B7 C46 B4 -112.4(3) . . . . ?
B12 B7 C46 B4 138.8(2) . . . . ?
B8 B7 C46 B4 101.0(2) . . . . ?
B5 B7 C46 B4 37.9(2) . . . . ?
C22 B2 C46 C31 2.1(5) . . . . ?
B10 B2 C46 C31 111.4(3) . . . . ?
B3 B2 C46 C31 -149.6(3) . . . . ?
B4 B2 C46 C31 -111.6(3) . . . . ?
B1 B2 C46 C31 147.2(3) . . . . ?
C22 B2 C46 B10 -109.3(4) . . . . ?
B3 B2 C46 B10 99.0(2) . . . . ?
B4 B2 C46 B10 137.0(2) . . . . ?
B1 B2 C46 B10 35.8(2) . . . . ?
C22 B2 C46 B7 150.9(3) . . . . ?
B10 B2 C46 B7 -99.8(2) . . . . ?
B3 B2 C46 B7 -0.8(3) . . . . ?
B4 B2 C46 B7 37.2(2) . . . . ?
B1 B2 C46 B7 -64.0(3) . . . . ?
C22 B2 C46 B12 -144.6(3) . . . . ?
B10 B2 C46 B12 -35.3(2) . . . . ?
B3 B2 C46 B12 63.6(3) . . . . ?
B4 B2 C46 B12 101.6(2) . . . . ?
B1 B2 C46 B12 0.4(3) . . . . ?
C22 B2 C46 B4 113.7(4) . . . . ?
B10 B2 C46 B4 -137.0(2) . . . . ?
B3 B2 C46 B4 -38.0(2) . . . . ?
B1 B2 C46 B4 -101.2(3) . . . . ?
C24 B4 C46 C31 -0.4(5) . . . . ?
B5 B4 C46 C31 -149.3(3) . . . . ?
B3 B4 C46 C31 147.3(3) . . . . ?
B7 B4 C46 C31 -111.3(3) . . . . ?
B2 B4 C46 C31 109.5(3) . . . . ?
C24 B4 C46 B10 -148.4(3) . . . . ?
B5 B4 C46 B10 62.7(3) . . . . ?
B3 B4 C46 B10 -0.6(3) . . . . ?
B7 B4 C46 B10 100.7(2) . . . . ?
B2 B4 C46 B10 -38.4(2) . . . . ?
C24 B4 C46 B7 110.9(3) . . . . ?
B5 B4 C46 B7 -38.0(2) . . . . ?
B3 B4 C46 B7 -101.3(2) . . . . ?
B2 B4 C46 B7 -139.2(2) . . . . ?
C24 B4 C46 B12 148.2(3) . . . . ?
B5 B4 C46 B12 -0.7(3) . . . . ?
B3 B4 C46 B12 -64.0(3) . . . . ?
B7 B4 C46 B12 37.3(2) . . . . ?
B2 B4 C46 B12 -101.8(2) . . . . ?
C24 B4 C46 B2 -109.9(3) . . . . ?
B5 B4 C46 B2 101.2(2) . . . . ?
B3 B4 C46 B2 37.9(2) . . . . ?
B7 B4 C46 B2 139.2(2) . . . . ?
C27 B7 B11 C31 -1.4(4) . . . . ?
B12 B7 B11 C31 -110.2(3) . . . . ?
B8 B7 B11 C31 -147.9(3) . . . . ?
B4 B7 B11 C31 111.1(3) . . . . ?
B5 B7 B11 C31 148.9(3) . . . . ?
C27 B7 B11 C45 146.6(3) . . . . ?
B12 B7 B11 C45 37.8(2) . . . . ?
B8 B7 B11 C45 0.0(3) . . . . ?
B4 B7 B11 C45 -101.0(2) . . . . ?
B5 B7 B11 C45 -63.1(3) . . . . ?
C27 B7 B11 B12 108.8(3) . . . . ?
B8 B7 B11 B12 -37.7(2) . . . . ?
B4 B7 B11 B12 -138.8(2) . . . . ?
B5 B7 B11 B12 -100.9(2) . . . . ?
C27 B7 B11 B2 -149.6(3) . . . . ?
B12 B7 B11 B2 101.6(3) . . . . ?
B8 B7 B11 B2 63.8(3) . . . . ?
B4 B7 B11 B2 -37.2(2) . . . . ?
B5 B7 B11 B2 0.6(3) . . . . ?
C27 B7 B11 B4 -112.4(3) . . . . ?
B12 B7 B11 B4 138.8(2) . . . . ?
B8 B7 B11 B4 101.0(2) . . . . ?
B5 B7 B11 B4 37.9(2) . . . . ?
C22 B2 B11 C31 2.1(5) . . . . ?
C45 B2 B11 C31 111.4(3) . . . . ?
B3 B2 B11 C31 -149.6(3) . . . . ?
B4 B2 B11 C31 -111.6(3) . . . . ?
B1 B2 B11 C31 147.2(3) . . . . ?
C22 B2 B11 C45 -109.3(4) . . . . ?
B3 B2 B11 C45 99.0(2) . . . . ?
B4 B2 B11 C45 137.0(2) . . . . ?
B1 B2 B11 C45 35.8(2) . . . . ?
C22 B2 B11 B7 150.9(3) . . . . ?
C45 B2 B11 B7 -99.8(2) . . . . ?
B3 B2 B11 B7 -0.8(3) . . . . ?
B4 B2 B11 B7 37.2(2) . . . . ?
B1 B2 B11 B7 -64.0(3) . . . . ?
C22 B2 B11 B12 -144.6(3) . . . . ?
C45 B2 B11 B12 -35.3(2) . . . . ?
B3 B2 B11 B12 63.6(3) . . . . ?
B4 B2 B11 B12 101.6(2) . . . . ?
B1 B2 B11 B12 0.4(3) . . . . ?
C22 B2 B11 B4 113.7(4) . . . . ?
C45 B2 B11 B4 -137.0(2) . . . . ?
B3 B2 B11 B4 -38.0(2) . . . . ?
B1 B2 B11 B4 -101.2(3) . . . . ?
C24 B4 B11 C31 -0.4(5) . . . . ?
B5 B4 B11 C31 -149.3(3) . . . . ?
B3 B4 B11 C31 147.3(3) . . . . ?
B7 B4 B11 C31 -111.3(3) . . . . ?
B2 B4 B11 C31 109.5(3) . . . . ?
C24 B4 B11 C45 -148.4(3) . . . . ?
B5 B4 B11 C45 62.7(3) . . . . ?
B3 B4 B11 C45 -0.6(3) . . . . ?
B7 B4 B11 C45 100.7(2) . . . . ?
B2 B4 B11 C45 -38.4(2) . . . . ?
C24 B4 B11 B7 110.9(3) . . . . ?
B5 B4 B11 B7 -38.0(2) . . . . ?
B3 B4 B11 B7 -101.3(2) . . . . ?
B2 B4 B11 B7 -139.2(2) . . . . ?
C24 B4 B11 B12 148.2(3) . . . . ?
B5 B4 B11 B12 -0.7(3) . . . . ?
B3 B4 B11 B12 -64.0(3) . . . . ?
B7 B4 B11 B12 37.3(2) . . . . ?
B2 B4 B11 B12 -101.8(2) . . . . ?
C24 B4 B11 B2 -109.9(3) . . . . ?
B5 B4 B11 B2 101.2(2) . . . . ?
B3 B4 B11 B2 37.9(2) . . . . ?
B7 B4 B11 B2 139.2(2) . . . . ?
C31 B11 C45 C30 2.3(5) . . . . ?
B7 B11 C45 C30 -145.7(3) . . . . ?
B12 B11 C45 C30 -107.7(3) . . . . ?
B2 B11 C45 C30 111.5(4) . . . . ?
B4 B11 C45 C30 150.2(3) . . . . ?
C31 B11 C45 B12 109.9(3) . . . . ?
B7 B11 C45 B12 -38.1(2) . . . . ?
B2 B11 C45 B12 -140.8(2) . . . . ?
B4 B11 C45 B12 -102.1(2) . . . . ?
C31 B11 C45 B1 -146.9(3) . . . . ?
B7 B11 C45 B1 65.1(3) . . . . ?
B12 B11 C45 B1 103.2(3) . . . . ?
B2 B11 C45 B1 -37.6(2) . . . . ?
B4 B11 C45 B1 1.1(3) . . . . ?
C31 B11 C45 B2 -109.2(3) . . . . ?
B7 B11 C45 B2 102.8(2) . . . . ?
B12 B11 C45 B2 140.8(2) . . . . ?
B4 B11 C45 B2 38.7(2) . . . . ?
C31 B11 C45 B9 147.3(3) . . . . ?
B7 B11 C45 B9 -0.7(3) . . . . ?
B12 B11 C45 B9 37.3(2) . . . . ?
B2 B11 C45 B9 -103.5(3) . . . . ?
B4 B11 C45 B9 -64.8(3) . . . . ?
C21 B1 C45 C30 -1.0(5) . . . . ?
B6 B1 C45 C30 147.5(3) . . . . ?
B9 B1 C45 C30 108.8(4) . . . . ?
B3 B1 C45 C30 -149.8(3) . . . . ?
B2 B1 C45 C30 -111.3(4) . . . . ?
C21 B1 C45 B11 147.7(3) . . . . ?
B6 B1 C45 B11 -63.8(3) . . . . ?
B9 B1 C45 B11 -102.5(2) . . . . ?
B3 B1 C45 B11 -1.1(3) . . . . ?
B2 B1 C45 B11 37.4(2) . . . . ?
C21 B1 C45 B12 -146.6(3) . . . . ?
B6 B1 C45 B12 2.0(3) . . . . ?
B9 B1 C45 B12 -36.7(2) . . . . ?
B3 B1 C45 B12 64.7(3) . . . . ?
B2 B1 C45 B12 103.1(3) . . . . ?
C21 B1 C45 B2 110.3(3) . . . . ?
B6 B1 C45 B2 -101.2(2) . . . . ?
B9 B1 C45 B2 -139.9(2) . . . . ?
B3 B1 C45 B2 -38.5(2) . . . . ?
C21 B1 C45 B9 -109.8(3) . . . . ?
B6 B1 C45 B9 38.7(2) . . . . ?
B3 B1 C45 B9 101.4(2) . . . . ?
B2 B1 C45 B9 139.9(2) . . . . ?
C22 B2 C45 C30 1.1(5) . . . . ?
B11 B2 C45 C30 -109.4(4) . . . . ?
B3 B2 C45 C30 149.8(3) . . . . ?
B4 B2 C45 C30 -147.3(3) . . . . ?
B1 B2 C45 C30 111.2(4) . . . . ?
C22 B2 C45 B11 110.5(3) . . . . ?
B3 B2 C45 B11 -100.8(2) . . . . ?
B4 B2 C45 B11 -37.9(2) . . . . ?
B1 B2 C45 B11 -139.4(2) . . . . ?
C22 B2 C45 B12 146.8(3) . . . . ?
B11 B2 C45 B12 36.3(2) . . . . ?
B3 B2 C45 B12 -64.5(3) . . . . ?
B4 B2 C45 B12 -1.6(3) . . . . ?
B1 B2 C45 B12 -103.1(3) . . . . ?
C22 B2 C45 B1 -110.1(3) . . . . ?
B11 B2 C45 B1 139.4(2) . . . . ?
B3 B2 C45 B1 38.7(2) . . . . ?
B4 B2 C45 B1 101.5(3) . . . . ?
C22 B2 C45 B9 -147.4(3) . . . . ?
B11 B2 C45 B9 102.1(3) . . . . ?
B3 B2 C45 B9 1.4(3) . . . . ?
B4 B2 C45 B9 64.2(3) . . . . ?
B1 B2 C45 B9 -37.3(2) . . . . ?
C29 B9 C45 C30 -2.5(5) . . . . ?
B8 B9 C45 C30 146.4(3) . . . . ?
B12 B9 C45 C30 107.9(3) . . . . ?
B6 B9 C45 C30 -150.4(3) . . . . ?
B1 B9 C45 C30 -111.8(3) . . . . ?
C29 B9 C45 B11 -147.8(3) . . . . ?
B8 B9 C45 B11 1.1(3) . . . . ?
B12 B9 C45 B11 -37.4(2) . . . . ?
B6 B9 C45 B11 64.3(3) . . . . ?
B1 B9 C45 B11 102.9(3) . . . . ?
C29 B9 C45 B12 -110.4(3) . . . . ?
B8 B9 C45 B12 38.5(2) . . . . ?
B6 B9 C45 B12 101.7(2) . . . . ?
B1 B9 C45 B12 140.3(2) . . . . ?
C29 B9 C45 B1 109.3(3) . . . . ?
B8 B9 C45 B1 -101.8(2) . . . . ?
B12 B9 C45 B1 -140.3(2) . . . . ?
B6 B9 C45 B1 -38.6(2) . . . . ?
C29 B9 C45 B2 146.6(3) . . . . ?
B8 B9 C45 B2 -64.5(3) . . . . ?
B12 B9 C45 B2 -102.9(3) . . . . ?
B6 B9 C45 B2 -1.3(3) . . . . ?
B1 B9 C45 B2 37.4(2) . . . . ?
C30 C45 B12 C32 1.7(5) . . . . ?
B11 C45 B12 C32 -109.0(3) . . . . ?
B1 C45 B12 C32 148.4(3) . . . . ?
B2 C45 B12 C32 -145.2(3) . . . . ?
B9 C45 B12 C32 111.6(3) . . . . ?
C30 C45 B12 B11 110.7(4) . . . . ?
B1 C45 B12 B11 -102.6(3) . . . . ?
B2 C45 B12 B11 -36.2(2) . . . . ?
B9 C45 B12 B11 -139.4(2) . . . . ?
C30 C45 B12 B8 -148.4(3) . . . . ?
B11 C45 B12 B8 100.8(2) . . . . ?
B1 C45 B12 B8 -1.7(3) . . . . ?
B2 C45 B12 B8 64.6(3) . . . . ?
B9 C45 B12 B8 -38.6(2) . . . . ?
C30 C45 B12 B9 -109.9(4) . . . . ?
B11 C45 B12 B9 139.4(2) . . . . ?
B1 C45 B12 B9 36.9(2) . . . . ?
B2 C45 B12 B9 103.2(3) . . . . ?
C30 C45 B12 B7 148.3(3) . . . . ?
B11 C45 B12 B7 37.6(2) . . . . ?
B1 C45 B12 B7 -65.0(3) . . . . ?
B2 C45 B12 B7 1.3(3) . . . . ?
B9 C45 B12 B7 -101.9(2) . . . . ?
C30 B10 B12 C32 1.7(5) . . . . ?
C46 B10 B12 C32 -109.0(3) . . . . ?
B1 B10 B12 C32 148.4(3) . . . . ?
B2 B10 B12 C32 -145.2(3) . . . . ?
B9 B10 B12 C32 111.6(3) . . . . ?
C30 B10 B12 C46 110.7(4) . . . . ?
B1 B10 B12 C46 -102.6(3) . . . . ?
B2 B10 B12 C46 -36.2(2) . . . . ?
B9 B10 B12 C46 -139.4(2) . . . . ?
C30 B10 B12 B8 -148.4(3) . . . . ?
C46 B10 B12 B8 100.8(2) . . . . ?
B1 B10 B12 B8 -1.7(3) . . . . ?
B2 B10 B12 B8 64.6(3) . . . . ?
B9 B10 B12 B8 -38.6(2) . . . . ?
C30 B10 B12 B9 -109.9(4) . . . . ?
C46 B10 B12 B9 139.4(2) . . . . ?
B1 B10 B12 B9 36.9(2) . . . . ?
B2 B10 B12 B9 103.2(3) . . . . ?
C30 B10 B12 B7 148.3(3) . . . . ?
C46 B10 B12 B7 37.6(2) . . . . ?
B1 B10 B12 B7 -65.0(3) . . . . ?
B2 B10 B12 B7 1.3(3) . . . . ?
B9 B10 B12 B7 -101.9(2) . . . . ?
C31 B11 B12 C32 -0.8(4) . . . . ?
C45 B11 B12 C32 110.2(3) . . . . ?
B7 B11 B12 C32 -112.2(3) . . . . ?
B2 B11 B12 C32 145.7(3) . . . . ?
B4 B11 B12 C32 -149.7(3) . . . . ?
C31 B11 B12 C45 -111.0(3) . . . . ?
B7 B11 B12 C45 137.5(2) . . . . ?
B2 B11 B12 C45 35.5(2) . . . . ?
B4 B11 B12 C45 100.1(2) . . . . ?
C31 B11 B12 B8 149.5(3) . . . . ?
C45 B11 B12 B8 -99.5(2) . . . . ?
B7 B11 B12 B8 38.1(2) . . . . ?
B2 B11 B12 B8 -64.0(3) . . . . ?
B4 B11 B12 B8 0.6(3) . . . . ?
C31 B11 B12 B9 -147.2(3) . . . . ?
C45 B11 B12 B9 -36.2(2) . . . . ?
B7 B11 B12 B9 101.3(2) . . . . ?
B2 B11 B12 B9 -0.7(3) . . . . ?
B4 B11 B12 B9 63.9(3) . . . . ?
C31 B11 B12 B7 111.5(3) . . . . ?
C45 B11 B12 B7 -137.5(2) . . . . ?
B2 B11 B12 B7 -102.1(2) . . . . ?
B4 B11 B12 B7 -37.4(2) . . . . ?
C31 C46 B12 C32 -0.8(4) . . . . ?
B10 C46 B12 C32 110.2(3) . . . . ?
B7 C46 B12 C32 -112.2(3) . . . . ?
B2 C46 B12 C32 145.7(3) . . . . ?
B4 C46 B12 C32 -149.7(3) . . . . ?
C31 C46 B12 B10 -111.0(3) . . . . ?
B7 C46 B12 B10 137.5(2) . . . . ?
B2 C46 B12 B10 35.5(2) . . . . ?
B4 C46 B12 B10 100.1(2) . . . . ?
C31 C46 B12 B8 149.5(3) . . . . ?
B10 C46 B12 B8 -99.5(2) . . . . ?
B7 C46 B12 B8 38.1(2) . . . . ?
B2 C46 B12 B8 -64.0(3) . . . . ?
B4 C46 B12 B8 0.6(3) . . . . ?
C31 C46 B12 B9 -147.2(3) . . . . ?
B10 C46 B12 B9 -36.2(2) . . . . ?
B7 C46 B12 B9 101.3(2) . . . . ?
B2 C46 B12 B9 -0.7(3) . . . . ?
B4 C46 B12 B9 63.9(3) . . . . ?
C31 C46 B12 B7 111.5(3) . . . . ?
B10 C46 B12 B7 -137.5(2) . . . . ?
B2 C46 B12 B7 -102.1(2) . . . . ?
B4 C46 B12 B7 -37.4(2) . . . . ?
C28 B8 B12 C32 1.0(4) . . . . ?
B9 B8 B12 C32 -110.4(3) . . . . ?
B7 B8 B12 C32 111.0(3) . . . . ?
B5 B8 B12 C32 148.5(3) . . . . ?
B6 B8 B12 C32 -148.2(3) . . . . ?
C28 B8 B12 C45 149.9(3) . . . . ?
B9 B8 B12 C45 38.5(2) . . . . ?
B7 B8 B12 C45 -100.1(2) . . . . ?
B5 B8 B12 C45 -62.6(3) . . . . ?
B6 B8 B12 C45 0.7(3) . . . . ?
C28 B8 B12 B10 149.9(3) . . . . ?
B9 B8 B12 B10 38.5(2) . . . . ?
B7 B8 B12 B10 -100.1(2) . . . . ?
B5 B8 B12 B10 -62.6(3) . . . . ?
B6 B8 B12 B10 0.7(3) . . . . ?
C28 B8 B12 B11 -147.8(3) . . . . ?
B9 B8 B12 B11 100.8(2) . . . . ?
B7 B8 B12 B11 -37.8(2) . . . . ?
B5 B8 B12 B11 -0.3(3) . . . . ?
B6 B8 B12 B11 63.0(3) . . . . ?
C28 B8 B12 C46 -147.8(3) . . . . ?
B9 B8 B12 C46 100.8(2) . . . . ?
B7 B8 B12 C46 -37.8(2) . . . . ?
B5 B8 B12 C46 -0.3(3) . . . . ?
B6 B8 B12 C46 63.0(3) . . . . ?
C28 B8 B12 B9 111.4(3) . . . . ?
B7 B8 B12 B9 -138.6(2) . . . . ?
B5 B8 B12 B9 -101.1(2) . . . . ?
B6 B8 B12 B9 -37.7(2) . . . . ?
C28 B8 B12 B7 -110.0(3) . . . . ?
B9 B8 B12 B7 138.6(2) . . . . ?
B5 B8 B12 B7 37.5(2) . . . . ?
B6 B8 B12 B7 100.9(2) . . . . ?
C29 B9 B12 C32 0.6(5) . . . . ?
C45 B9 B12 C32 -109.7(3) . . . . ?
B10 B9 B12 C32 -109.7(3) . . . . ?
B8 B9 B12 C32 113.8(3) . . . . ?
B6 B9 B12 C32 151.7(3) . . . . ?
B1 B9 B12 C32 -145.0(3) . . . . ?
C29 B9 B12 C45 110.4(4) . . . . ?
B8 B9 B12 C45 -136.4(2) . . . . ?
B6 B9 B12 C45 -98.5(2) . . . . ?
B1 B9 B12 C45 -35.2(2) . . . . ?
C29 B9 B12 B10 110.4(4) . . . . ?
B8 B9 B12 B10 -136.4(2) . . . . ?
B6 B9 B12 B10 -98.5(2) . . . . ?
B1 B9 B12 B10 -35.2(2) . . . . ?
C29 B9 B12 B11 146.3(3) . . . . ?
C45 B9 B12 B11 35.9(2) . . . . ?
B8 B9 B12 B11 -100.5(2) . . . . ?
B6 B9 B12 B11 -62.6(3) . . . . ?
B1 B9 B12 B11 0.7(3) . . . . ?
C29 B9 B12 C46 146.3(3) . . . . ?
B10 B9 B12 C46 35.9(2) . . . . ?
B8 B9 B12 C46 -100.5(2) . . . . ?
B6 B9 B12 C46 -62.6(3) . . . . ?
B1 B9 B12 C46 0.7(3) . . . . ?
C29 B9 B12 B8 -113.2(4) . . . . ?
C45 B9 B12 B8 136.4(2) . . . . ?
B10 B9 B12 B8 136.4(2) . . . . ?
B6 B9 B12 B8 37.9(2) . . . . ?
B1 B9 B12 B8 101.2(2) . . . . ?
C29 B9 B12 B7 -150.4(3) . . . . ?
C45 B9 B12 B7 99.2(2) . . . . ?
B10 B9 B12 B7 99.2(2) . . . . ?
B8 B9 B12 B7 -37.2(2) . . . . ?
B6 B9 B12 B7 0.6(3) . . . . ?
B1 B9 B12 B7 64.0(3) . . . . ?
C27 B7 B12 C32 -1.8(4) . . . . ?
B11 B7 B12 C32 108.7(3) . . . . ?
C46 B7 B12 C32 108.7(3) . . . . ?
B8 B7 B12 C32 -113.9(3) . . . . ?
B4 B7 B12 C32 145.5(3) . . . . ?
B5 B7 B12 C32 -151.3(3) . . . . ?
C27 B7 B12 C45 -147.8(3) . . . . ?
B11 B7 B12 C45 -37.3(2) . . . . ?
B8 B7 B12 C45 100.1(2) . . . . ?
B4 B7 B12 C45 -0.5(3) . . . . ?
B5 B7 B12 C45 62.7(3) . . . . ?
C27 B7 B12 B10 -147.8(3) . . . . ?
C46 B7 B12 B10 -37.3(2) . . . . ?
B8 B7 B12 B10 100.1(2) . . . . ?
B4 B7 B12 B10 -0.5(3) . . . . ?
B5 B7 B12 B10 62.7(3) . . . . ?
C27 B7 B12 B11 -110.5(3) . . . . ?
B8 B7 B12 B11 137.4(2) . . . . ?
B4 B7 B12 B11 36.8(2) . . . . ?
B5 B7 B12 B11 100.0(2) . . . . ?
C27 B7 B12 C46 -110.5(3) . . . . ?
B8 B7 B12 C46 137.4(2) . . . . ?
B4 B7 B12 C46 36.8(2) . . . . ?
B5 B7 B12 C46 100.0(2) . . . . ?
C27 B7 B12 B8 112.1(3) . . . . ?
B11 B7 B12 B8 -137.4(2) . . . . ?
C46 B7 B12 B8 -137.4(2) . . . . ?
B4 B7 B12 B8 -100.6(2) . . . . ?
B5 B7 B12 B8 -37.4(2) . . . . ?
C27 B7 B12 B9 149.2(3) . . . . ?
B11 B7 B12 B9 -100.3(2) . . . . ?
C46 B7 B12 B9 -100.3(2) . . . . ?
B8 B7 B12 B9 37.1(2) . . . . ?
B4 B7 B12 B9 -63.5(3) . . . . ?
B5 B7 B12 B9 -0.3(3) . . . . ?
C33 B13 B14 C34 -2.0(4) . . . . ?
B15 B13 B14 C34 -110.8(3) . . . . ?
B18 B13 B14 C34 -148.7(3) . . . . ?
B22 B13 B14 C34 148.3(3) . . . . ?
B24 B13 B14 C34 110.6(3) . . . . ?
C33 B13 B14 C47 146.5(3) . . . . ?
B15 B13 B14 C47 37.7(2) . . . . ?
B18 B13 B14 C47 -0.1(3) . . . . ?
B22 B13 B14 C47 -63.2(3) . . . . ?
B24 B13 B14 C47 -100.8(2) . . . . ?
C33 B13 B14 B16 146.5(3) . . . . ?
B15 B13 B14 B16 37.7(2) . . . . ?
B18 B13 B14 B16 -0.1(3) . . . . ?
B22 B13 B14 B16 -63.2(3) . . . . ?
B24 B13 B14 B16 -100.8(2) . . . . ?
C33 B13 B14 B23 -150.4(3) . . . . ?
B15 B13 B14 B23 100.8(2) . . . . ?
B18 B13 B14 B23 63.0(3) . . . . ?
B22 B13 B14 B23 -0.1(3) . . . . ?
B24 B13 B14 B23 -37.7(2) . . . . ?
C33 B13 B14 B24 -112.6(3) . . . . ?
B15 B13 B14 B24 138.6(2) . . . . ?
B18 B13 B14 B24 100.7(2) . . . . ?
B22 B13 B14 B24 37.7(2) . . . . ?
C33 B13 B14 B15 108.8(3) . . . . ?
B18 B13 B14 B15 -37.9(2) . . . . ?
B22 B13 B14 B15 -100.9(2) . . . . ?
B24 B13 B14 B15 -138.6(2) . . . . ?
C34 B14 B15 C35 -0.8(4) . . . . ?
C47 B14 B15 C35 109.0(3) . . . . ?
B16 B14 B15 C35 109.0(3) . . . . ?
B23 B14 B15 C35 145.7(3) . . . . ?
B24 B14 B15 C35 -150.4(3) . . . . ?
B13 B14 B15 C35 -113.1(3) . . . . ?
C34 B14 B15 B17 -147.1(3) . . . . ?
C47 B14 B15 B17 -37.3(2) . . . . ?
B23 B14 B15 B17 -0.6(3) . . . . ?
B24 B14 B15 B17 63.3(3) . . . . ?
B13 B14 B15 B17 100.6(2) . . . . ?
C34 B14 B15 C48 -147.1(3) . . . . ?
B16 B14 B15 C48 -37.3(2) . . . . ?
B23 B14 B15 C48 -0.6(3) . . . . ?
B24 B14 B15 C48 63.3(3) . . . . ?
B13 B14 B15 C48 100.6(2) . . . . ?
C34 B14 B15 C47 -109.8(3) . . . . ?
B23 B14 B15 C47 36.7(2) . . . . ?
B24 B14 B15 C47 100.6(2) . . . . ?
B13 B14 B15 C47 137.9(2) . . . . ?
C34 B14 B15 B16 -109.8(3) . . . . ?
B23 B14 B15 B16 36.7(2) . . . . ?
B24 B14 B15 B16 100.6(2) . . . . ?
B13 B14 B15 B16 137.9(2) . . . . ?
C34 B14 B15 B13 112.3(3) . . . . ?
C47 B14 B15 B13 -137.9(2) . . . . ?
B16 B14 B15 B13 -137.9(2) . . . . ?
B23 B14 B15 B13 -101.2(2) . . . . ?
B24 B14 B15 B13 -37.2(2) . . . . ?
C34 B14 B15 B18 150.3(3) . . . . ?
C47 B14 B15 B18 -99.9(2) . . . . ?
B16 B14 B15 B18 -99.9(2) . . . . ?
B23 B14 B15 B18 -63.2(3) . . . . ?
B24 B14 B15 B18 0.7(3) . . . . ?
B13 B14 B15 B18 38.0(2) . . . . ?
C33 B13 B15 C35 -1.2(5) . . . . ?
B18 B13 B15 C35 -112.4(3) . . . . ?
B22 B13 B15 C35 -150.0(3) . . . . ?
B24 B13 B15 C35 146.8(3) . . . . ?
B14 B13 B15 C35 110.1(3) . . . . ?
C33 B13 B15 B17 148.9(3) . . . . ?
B18 B13 B15 B17 37.7(2) . . . . ?
B22 B13 B15 B17 0.0(3) . . . . ?
B24 B13 B15 B17 -63.1(3) . . . . ?
B14 B13 B15 B17 -99.8(2) . . . . ?
C33 B13 B15 C48 148.9(3) . . . . ?
B18 B13 B15 C48 37.7(2) . . . . ?
B22 B13 B15 C48 0.0(3) . . . . ?
B24 B13 B15 C48 -63.1(3) . . . . ?
B14 B13 B15 C48 -99.8(2) . . . . ?
C33 B13 B15 C47 -148.6(3) . . . . ?
B18 B13 B15 C47 100.2(2) . . . . ?
B22 B13 B15 C47 62.6(3) . . . . ?
B24 B13 B15 C47 -0.6(3) . . . . ?
B14 B13 B15 C47 -37.3(2) . . . . ?
C33 B13 B15 B16 -148.6(3) . . . . ?
B18 B13 B15 B16 100.2(2) . . . . ?
B22 B13 B15 B16 62.6(3) . . . . ?
B24 B13 B15 B16 -0.6(3) . . . . ?
B14 B13 B15 B16 -37.3(2) . . . . ?
C33 B13 B15 B14 -111.3(3) . . . . ?
B18 B13 B15 B14 137.5(2) . . . . ?
B22 B13 B15 B14 99.8(2) . . . . ?
B24 B13 B15 B14 36.7(2) . . . . ?
C33 B13 B15 B18 111.2(3) . . . . ?
B22 B13 B15 B18 -37.6(2) . . . . ?
B24 B13 B15 B18 -100.8(2) . . . . ?
B14 B13 B15 B18 -137.5(2) . . . . ?
C34 B14 B16 C36 2.4(5) . . . . ?
B23 B14 B16 C36 111.8(3) . . . . ?
B24 B14 B16 C36 149.3(3) . . . . ?
B15 B14 B16 C36 -109.3(3) . . . . ?
B13 B14 B16 C36 -147.0(3) . . . . ?
C34 B14 B16 C48 149.6(3) . . . . ?
B23 B14 B16 C48 -101.0(2) . . . . ?
B24 B14 B16 C48 -63.5(3) . . . . ?
B15 B14 B16 C48 37.8(2) . . . . ?
B13 B14 B16 C48 0.2(3) . . . . ?
C34 B14 B16 B23 -109.4(3) . . . . ?
B24 B14 B16 B23 37.5(2) . . . . ?
B15 B14 B16 B23 138.9(2) . . . . ?
B13 B14 B16 B23 101.2(2) . . . . ?
C34 B14 B16 B19 -146.6(3) . . . . ?
B23 B14 B16 B19 -37.2(2) . . . . ?
B24 B14 B16 B19 0.3(3) . . . . ?
B15 B14 B16 B19 101.6(2) . . . . ?
B13 B14 B16 B19 64.0(3) . . . . ?
C34 B14 B16 B15 111.7(3) . . . . ?
B23 B14 B16 B15 -138.9(2) . . . . ?
B24 B14 B16 B15 -101.3(2) . . . . ?
B13 B14 B16 B15 -37.6(2) . . . . ?
C35 B15 B16 C36 1.4(4) . . . . ?
C48 B15 B16 C36 -110.2(3) . . . . ?
B14 B15 B16 C36 112.3(3) . . . . ?
B13 B15 B16 C36 150.0(3) . . . . ?
B18 B15 B16 C36 -146.8(3) . . . . ?
C35 B15 B16 C48 111.6(3) . . . . ?
B14 B15 B16 C48 -137.5(2) . . . . ?
B13 B15 B16 C48 -99.8(2) . . . . ?
B18 B15 B16 C48 -36.6(2) . . . . ?
C35 B15 B16 B23 -148.2(3) . . . . ?
C48 B15 B16 B23 100.2(2) . . . . ?
B14 B15 B16 B23 -37.4(2) . . . . ?
B13 B15 B16 B23 0.4(3) . . . . ?
B18 B15 B16 B23 63.6(3) . . . . ?
C35 B15 B16 B19 147.2(3) . . . . ?
C48 B15 B16 B19 35.6(2) . . . . ?
B14 B15 B16 B19 -102.0(2) . . . . ?
B13 B15 B16 B19 -64.2(3) . . . . ?
B18 B15 B16 B19 -1.0(3) . . . . ?
C35 B15 B16 B14 -110.8(3) . . . . ?
C48 B15 B16 B14 137.5(2) . . . . ?
B13 B15 B16 B14 37.7(2) . . . . ?
B18 B15 B16 B14 101.0(2) . . . . ?
C36 B16 C48 C37 -0.2(5) . . . . ?
B23 B16 C48 C37 148.0(3) . . . . ?
B19 B16 C48 C37 109.4(3) . . . . ?
B14 B16 C48 C37 -147.9(3) . . . . ?
B15 B16 C48 C37 -109.9(4) . . . . ?
C36 B16 C48 B19 -109.6(3) . . . . ?
B23 B16 C48 B19 38.6(2) . . . . ?
B14 B16 C48 B19 102.6(2) . . . . ?
B15 B16 C48 B19 140.7(2) . . . . ?
C36 B16 C48 B15 109.7(3) . . . . ?
B23 B16 C48 B15 -102.1(2) . . . . ?
B19 B16 C48 B15 -140.7(2) . . . . ?
B14 B16 C48 B15 -38.0(2) . . . . ?
C36 B16 C48 B18 147.6(3) . . . . ?
B23 B16 C48 B18 -64.3(3) . . . . ?
B19 B16 C48 B18 -102.8(3) . . . . ?
B14 B16 C48 B18 -0.2(3) . . . . ?
B15 B16 C48 B18 37.9(2) . . . . ?
C36 B16 C48 B20 -147.2(3) . . . . ?
B23 B16 C48 B20 1.0(3) . . . . ?
B19 B16 C48 B20 -37.6(2) . . . . ?
B14 B16 C48 B20 65.1(3) . . . . ?
B15 B16 C48 B20 103.1(2) . . . . ?
C35 B15 C48 C37 1.5(5) . . . . ?
B16 B15 C48 C37 110.2(3) . . . . ?
B14 B15 C48 C37 147.5(3) . . . . ?
B13 B15 C48 C37 -149.1(3) . . . . ?
B18 B15 C48 C37 -111.2(3) . . . . ?
C35 B15 C48 B16 -108.7(3) . . . . ?
B14 B15 C48 B16 37.3(2) . . . . ?
B13 B15 C48 B16 100.8(2) . . . . ?
B18 B15 C48 B16 138.7(2) . . . . ?
C35 B15 C48 B19 -144.5(3) . . . . ?
B16 B15 C48 B19 -35.8(2) . . . . ?
B14 B15 C48 B19 1.5(3) . . . . ?
B13 B15 C48 B19 64.9(3) . . . . ?
B18 B15 C48 B19 102.8(2) . . . . ?
C35 B15 C48 B18 112.6(3) . . . . ?
B16 B15 C48 B18 -138.7(2) . . . . ?
B14 B15 C48 B18 -101.4(2) . . . . ?
B13 B15 C48 B18 -37.9(2) . . . . ?
C35 B15 C48 B20 150.0(3) . . . . ?
B16 B15 C48 B20 -101.3(3) . . . . ?
B14 B15 C48 B20 -63.9(3) . . . . ?
B13 B15 C48 B20 -0.5(3) . . . . ?
B18 B15 C48 B20 37.4(2) . . . . ?
C35 B15 B17 C37 1.5(5) . . . . ?
C47 B15 B17 C37 110.2(3) . . . . ?
B14 B15 B17 C37 147.5(3) . . . . ?
B13 B15 B17 C37 -149.1(3) . . . . ?
B18 B15 B17 C37 -111.2(3) . . . . ?
C35 B15 B17 C47 -108.7(3) . . . . ?
B14 B15 B17 C47 37.3(2) . . . . ?
B13 B15 B17 C47 100.8(2) . . . . ?
B18 B15 B17 C47 138.7(2) . . . . ?
C35 B15 B17 B19 -144.5(3) . . . . ?
C47 B15 B17 B19 -35.8(2) . . . . ?
B14 B15 B17 B19 1.5(3) . . . . ?
B13 B15 B17 B19 64.9(3) . . . . ?
B18 B15 B17 B19 102.8(2) . . . . ?
C35 B15 B17 B18 112.6(3) . . . . ?
C47 B15 B17 B18 -138.7(2) . . . . ?
B14 B15 B17 B18 -101.4(2) . . . . ?
B13 B15 B17 B18 -37.9(2) . . . . ?
C35 B15 B17 B20 150.0(3) . . . . ?
C47 B15 B17 B20 -101.3(3) . . . . ?
B14 B15 B17 B20 -63.9(3) . . . . ?
B13 B15 B17 B20 -0.5(3) . . . . ?
B18 B15 B17 B20 37.4(2) . . . . ?
C37 B17 C47 C36 -0.2(5) . . . . ?
B19 B17 C47 C36 -109.6(3) . . . . ?
B15 B17 C47 C36 109.7(3) . . . . ?
B18 B17 C47 C36 147.6(3) . . . . ?
B20 B17 C47 C36 -147.2(3) . . . . ?
C37 B17 C47 B23 148.0(3) . . . . ?
B19 B17 C47 B23 38.6(2) . . . . ?
B15 B17 C47 B23 -102.1(2) . . . . ?
B18 B17 C47 B23 -64.3(3) . . . . ?
B20 B17 C47 B23 1.0(3) . . . . ?
C37 B17 C47 B19 109.4(3) . . . . ?
B15 B17 C47 B19 -140.7(2) . . . . ?
B18 B17 C47 B19 -102.8(3) . . . . ?
B20 B17 C47 B19 -37.6(2) . . . . ?
C37 B17 C47 B14 -147.9(3) . . . . ?
B19 B17 C47 B14 102.6(2) . . . . ?
B15 B17 C47 B14 -38.0(2) . . . . ?
B18 B17 C47 B14 -0.2(3) . . . . ?
B20 B17 C47 B14 65.1(3) . . . . ?
C37 B17 C47 B15 -109.9(4) . . . . ?
B19 B17 C47 B15 140.7(2) . . . . ?
B18 B17 C47 B15 37.9(2) . . . . ?
B20 B17 C47 B15 103.1(2) . . . . ?
C34 B14 C47 C36 2.4(5) . . . . ?
B23 B14 C47 C36 111.8(3) . . . . ?
B24 B14 C47 C36 149.3(3) . . . . ?
B15 B14 C47 C36 -109.3(3) . . . . ?
B13 B14 C47 C36 -147.0(3) . . . . ?
C34 B14 C47 B17 149.6(3) . . . . ?
B23 B14 C47 B17 -101.0(2) . . . . ?
B24 B14 C47 B17 -63.5(3) . . . . ?
B15 B14 C47 B17 37.8(2) . . . . ?
B13 B14 C47 B17 0.2(3) . . . . ?
C34 B14 C47 B23 -109.4(3) . . . . ?
B24 B14 C47 B23 37.5(2) . . . . ?
B15 B14 C47 B23 138.9(2) . . . . ?
B13 B14 C47 B23 101.2(2) . . . . ?
C34 B14 C47 B19 -146.6(3) . . . . ?
B23 B14 C47 B19 -37.2(2) . . . . ?
B24 B14 C47 B19 0.3(3) . . . . ?
B15 B14 C47 B19 101.6(2) . . . . ?
B13 B14 C47 B19 64.0(3) . . . . ?
C34 B14 C47 B15 111.7(3) . . . . ?
B23 B14 C47 B15 -138.9(2) . . . . ?
B24 B14 C47 B15 -101.3(2) . . . . ?
B13 B14 C47 B15 -37.6(2) . . . . ?
C35 B15 C47 C36 1.4(4) . . . . ?
B17 B15 C47 C36 -110.2(3) . . . . ?
B14 B15 C47 C36 112.3(3) . . . . ?
B13 B15 C47 C36 150.0(3) . . . . ?
B18 B15 C47 C36 -146.8(3) . . . . ?
C35 B15 C47 B17 111.6(3) . . . . ?
B14 B15 C47 B17 -137.5(2) . . . . ?
B13 B15 C47 B17 -99.8(2) . . . . ?
B18 B15 C47 B17 -36.6(2) . . . . ?
C35 B15 C47 B23 -148.2(3) . . . . ?
B17 B15 C47 B23 100.2(2) . . . . ?
B14 B15 C47 B23 -37.4(2) . . . . ?
B13 B15 C47 B23 0.4(3) . . . . ?
B18 B15 C47 B23 63.6(3) . . . . ?
C35 B15 C47 B19 147.2(3) . . . . ?
B17 B15 C47 B19 35.6(2) . . . . ?
B14 B15 C47 B19 -102.0(2) . . . . ?
B13 B15 C47 B19 -64.2(3) . . . . ?
B18 B15 C47 B19 -1.0(3) . . . . ?
C35 B15 C47 B14 -110.8(3) . . . . ?
B17 B15 C47 B14 137.5(2) . . . . ?
B13 B15 C47 B14 37.7(2) . . . . ?
B18 B15 C47 B14 101.0(2) . . . . ?
C37 B17 B18 C38 -1.4(5) . . . . ?
C47 B17 B18 C38 -148.8(3) . . . . ?
B19 B17 B18 C38 146.6(3) . . . . ?
B15 B17 B18 C38 -111.1(3) . . . . ?
B20 B17 B18 C38 109.5(3) . . . . ?
C37 B17 B18 B22 -149.3(3) . . . . ?
C47 B17 B18 B22 63.2(3) . . . . ?
B19 B17 B18 B22 -1.3(3) . . . . ?
B15 B17 B18 B22 101.0(2) . . . . ?
B20 B17 B18 B22 -38.4(2) . . . . ?
C37 B17 B18 B13 147.6(3) . . . . ?
C47 B17 B18 B13 0.1(3) . . . . ?
B19 B17 B18 B13 -64.5(3) . . . . ?
B15 B17 B18 B13 37.9(2) . . . . ?
B20 B17 B18 B13 -101.5(2) . . . . ?
C37 B17 B18 B15 109.7(4) . . . . ?
C47 B17 B18 B15 -37.8(2) . . . . ?
B19 B17 B18 B15 -102.3(3) . . . . ?
B20 B17 B18 B15 -139.4(2) . . . . ?
C37 B17 B18 B20 -110.9(4) . . . . ?
C47 B17 B18 B20 101.7(3) . . . . ?
B19 B17 B18 B20 37.1(2) . . . . ?
B15 B17 B18 B20 139.4(2) . . . . ?
C37 C48 B18 C38 -1.4(5) . . . . ?
B16 C48 B18 C38 -148.8(3) . . . . ?
B19 C48 B18 C38 146.6(3) . . . . ?
B15 C48 B18 C38 -111.1(3) . . . . ?
B20 C48 B18 C38 109.5(3) . . . . ?
C37 C48 B18 B22 -149.3(3) . . . . ?
B16 C48 B18 B22 63.2(3) . . . . ?
B19 C48 B18 B22 -1.3(3) . . . . ?
B15 C48 B18 B22 101.0(2) . . . . ?
B20 C48 B18 B22 -38.4(2) . . . . ?
C37 C48 B18 B13 147.6(3) . . . . ?
B16 C48 B18 B13 0.1(3) . . . . ?
B19 C48 B18 B13 -64.5(3) . . . . ?
B15 C48 B18 B13 37.9(2) . . . . ?
B20 C48 B18 B13 -101.5(2) . . . . ?
C37 C48 B18 B15 109.7(4) . . . . ?
B16 C48 B18 B15 -37.8(2) . . . . ?
B19 C48 B18 B15 -102.3(3) . . . . ?
B20 C48 B18 B15 -139.4(2) . . . . ?
C37 C48 B18 B20 -110.9(4) . . . . ?
B16 C48 B18 B20 101.7(3) . . . . ?
B19 C48 B18 B20 37.1(2) . . . . ?
B15 C48 B18 B20 139.4(2) . . . . ?
C33 B13 B18 C38 1.8(4) . . . . ?
B15 B13 B18 C38 110.9(3) . . . . ?
B22 B13 B18 C38 -111.3(3) . . . . ?
B24 B13 B18 C38 -148.8(3) . . . . ?
B14 B13 B18 C38 148.5(3) . . . . ?
C33 B13 B18 B17 -146.8(3) . . . . ?
B15 B13 B18 B17 -37.6(2) . . . . ?
B22 B13 B18 B17 100.1(2) . . . . ?
B24 B13 B18 B17 62.6(3) . . . . ?
B14 B13 B18 B17 0.0(3) . . . . ?
C33 B13 B18 C48 -146.8(3) . . . . ?
B15 B13 B18 C48 -37.6(2) . . . . ?
B22 B13 B18 C48 100.1(2) . . . . ?
B24 B13 B18 C48 62.6(3) . . . . ?
B14 B13 B18 C48 0.0(3) . . . . ?
C33 B13 B18 B22 113.1(3) . . . . ?
B15 B13 B18 B22 -137.8(2) . . . . ?
B24 B13 B18 B22 -37.5(2) . . . . ?
B14 B13 B18 B22 -100.1(2) . . . . ?
C33 B13 B18 B15 -109.1(3) . . . . ?
B22 B13 B18 B15 137.8(2) . . . . ?
B24 B13 B18 B15 100.3(2) . . . . ?
B14 B13 B18 B15 37.6(2) . . . . ?
C33 B13 B18 B20 150.5(3) . . . . ?
B15 B13 B18 B20 -100.4(2) . . . . ?
B22 B13 B18 B20 37.4(2) . . . . ?
B24 B13 B18 B20 -0.1(3) . . . . ?
B14 B13 B18 B20 -62.8(3) . . . . ?
C35 B15 B18 C38 0.1(5) . . . . ?
B17 B15 B18 C38 110.6(3) . . . . ?
C48 B15 B18 C38 110.6(3) . . . . ?
C47 B15 B18 C38 147.1(3) . . . . ?
B16 B15 B18 C38 147.1(3) . . . . ?
B14 B15 B18 C38 -150.3(3) . . . . ?
B13 B15 B18 C38 -112.1(3) . . . . ?
C35 B15 B18 B17 -110.4(3) . . . . ?
C47 B15 B18 B17 36.5(2) . . . . ?
B14 B15 B18 B17 99.2(2) . . . . ?
B13 B15 B18 B17 137.3(2) . . . . ?
C35 B15 B18 C48 -110.4(3) . . . . ?
B16 B15 B18 C48 36.5(2) . . . . ?
B14 B15 B18 C48 99.2(2) . . . . ?
B13 B15 B18 C48 137.3(2) . . . . ?
C35 B15 B18 B22 149.9(3) . . . . ?
B17 B15 B18 B22 -99.6(2) . . . . ?
C48 B15 B18 B22 -99.6(2) . . . . ?
C47 B15 B18 B22 -63.1(3) . . . . ?
B16 B15 B18 B22 -63.1(3) . . . . ?
B14 B15 B18 B22 -0.5(3) . . . . ?
B13 B15 B18 B22 37.7(2) . . . . ?
C35 B15 B18 B13 112.2(3) . . . . ?
B17 B15 B18 B13 -137.3(2) . . . . ?
C48 B15 B18 B13 -137.3(2) . . . . ?
C47 B15 B18 B13 -100.8(2) . . . . ?
B16 B15 B18 B13 -100.8(2) . . . . ?
B14 B15 B18 B13 -38.2(2) . . . . ?
C35 B15 B18 B20 -146.5(3) . . . . ?
B17 B15 B18 B20 -36.1(2) . . . . ?
C48 B15 B18 B20 -36.1(2) . . . . ?
C47 B15 B18 B20 0.4(3) . . . . ?
B16 B15 B18 B20 0.4(3) . . . . ?
B14 B15 B18 B20 63.1(3) . . . . ?
B13 B15 B18 B20 101.2(2) . . . . ?
C37 B17 B19 C39 0.5(4) . . . . ?
C47 B17 B19 C39 110.5(3) . . . . ?
B15 B17 B19 C39 146.5(3) . . . . ?
B18 B17 B19 C39 -147.9(3) . . . . ?
B20 B17 B19 C39 -110.7(3) . . . . ?
C37 B17 B19 C47 -110.0(3) . . . . ?
B15 B17 B19 C47 36.1(2) . . . . ?
B18 B17 B19 C47 101.6(3) . . . . ?
B20 B17 B19 C47 138.8(2) . . . . ?
C37 B17 B19 B23 -147.8(3) . . . . ?
C47 B17 B19 B23 -37.8(2) . . . . ?
B15 B17 B19 B23 -1.8(3) . . . . ?
B18 B17 B19 B23 63.8(3) . . . . ?
B20 B17 B19 B23 101.0(2) . . . . ?
C37 B17 B19 B20 111.2(3) . . . . ?
C47 B17 B19 B20 -138.8(2) . . . . ?
B15 B17 B19 B20 -102.7(2) . . . . ?
B18 B17 B19 B20 -37.2(2) . . . . ?
C37 B17 B19 B21 149.8(3) . . . . ?
C47 B17 B19 B21 -100.2(2) . . . . ?
B15 B17 B19 B21 -64.1(3) . . . . ?
B18 B17 B19 B21 1.5(3) . . . . ?
B20 B17 B19 B21 38.6(2) . . . . ?
C37 C48 B19 C39 0.5(4) . . . . ?
B16 C48 B19 C39 110.5(3) . . . . ?
B15 C48 B19 C39 146.5(3) . . . . ?
B18 C48 B19 C39 -147.9(3) . . . . ?
B20 C48 B19 C39 -110.7(3) . . . . ?
C37 C48 B19 B16 -110.0(3) . . . . ?
B15 C48 B19 B16 36.1(2) . . . . ?
B18 C48 B19 B16 101.6(3) . . . . ?
B20 C48 B19 B16 138.8(2) . . . . ?
C37 C48 B19 B23 -147.8(3) . . . . ?
B16 C48 B19 B23 -37.8(2) . . . . ?
B15 C48 B19 B23 -1.8(3) . . . . ?
B18 C48 B19 B23 63.8(3) . . . . ?
B20 C48 B19 B23 101.0(2) . . . . ?
C37 C48 B19 B20 111.2(3) . . . . ?
B16 C48 B19 B20 -138.8(2) . . . . ?
B15 C48 B19 B20 -102.7(2) . . . . ?
B18 C48 B19 B20 -37.2(2) . . . . ?
C37 C48 B19 B21 149.8(3) . . . . ?
B16 C48 B19 B21 -100.2(2) . . . . ?
B15 C48 B19 B21 -64.1(3) . . . . ?
B18 C48 B19 B21 1.5(3) . . . . ?
B20 C48 B19 B21 38.6(2) . . . . ?
C36 C47 B19 C39 0.0(4) . . . . ?
B17 C47 B19 C39 -110.3(3) . . . . ?
B23 C47 B19 C39 112.6(3) . . . . ?
B14 C47 B19 C39 149.8(3) . . . . ?
B15 C47 B19 C39 -145.8(3) . . . . ?
C36 C47 B19 B17 110.4(3) . . . . ?
B23 C47 B19 B17 -137.1(2) . . . . ?
B14 C47 B19 B17 -99.9(2) . . . . ?
B15 C47 B19 B17 -35.5(2) . . . . ?
C36 C47 B19 B23 -112.5(3) . . . . ?
B17 C47 B19 B23 137.1(2) . . . . ?
B14 C47 B19 B23 37.2(2) . . . . ?
B15 C47 B19 B23 101.6(2) . . . . ?
C36 C47 B19 B20 147.0(3) . . . . ?
B17 C47 B19 B20 36.6(2) . . . . ?
B23 C47 B19 B20 -100.5(2) . . . . ?
B14 C47 B19 B20 -63.3(3) . . . . ?
B15 C47 B19 B20 1.1(3) . . . . ?
C36 C47 B19 B21 -149.8(3) . . . . ?
B17 C47 B19 B21 99.9(2) . . . . ?
B23 C47 B19 B21 -37.2(2) . . . . ?
B14 C47 B19 B21 0.0(3) . . . . ?
B15 C47 B19 B21 64.4(3) . . . . ?
C36 B16 B19 C39 0.0(4) . . . . ?
C48 B16 B19 C39 -110.3(3) . . . . ?
B23 B16 B19 C39 112.6(3) . . . . ?
B14 B16 B19 C39 149.8(3) . . . . ?
B15 B16 B19 C39 -145.8(3) . . . . ?
C36 B16 B19 C48 110.4(3) . . . . ?
B23 B16 B19 C48 -137.1(2) . . . . ?
B14 B16 B19 C48 -99.9(2) . . . . ?
B15 B16 B19 C48 -35.5(2) . . . . ?
C36 B16 B19 B23 -112.5(3) . . . . ?
C48 B16 B19 B23 137.1(2) . . . . ?
B14 B16 B19 B23 37.2(2) . . . . ?
B15 B16 B19 B23 101.6(2) . . . . ?
C36 B16 B19 B20 147.0(3) . . . . ?
C48 B16 B19 B20 36.6(2) . . . . ?
B23 B16 B19 B20 -100.5(2) . . . . ?
B14 B16 B19 B20 -63.3(3) . . . . ?
B15 B16 B19 B20 1.1(3) . . . . ?
C36 B16 B19 B21 -149.8(3) . . . . ?
C48 B16 B19 B21 99.9(2) . . . . ?
B23 B16 B19 B21 -37.2(2) . . . . ?
B14 B16 B19 B21 0.0(3) . . . . ?
B15 B16 B19 B21 64.4(3) . . . . ?
C37 B17 B20 C40 -1.1(5) . . . . ?
C47 B17 B20 C40 145.6(3) . . . . ?
B19 B17 B20 C40 108.4(3) . . . . ?
B15 B17 B20 C40 -149.3(3) . . . . ?
B18 B17 B20 C40 -111.9(3) . . . . ?
C37 B17 B20 B19 -109.4(3) . . . . ?
C47 B17 B20 B19 37.3(2) . . . . ?
B15 B17 B20 B19 102.3(3) . . . . ?
B18 B17 B20 B19 139.7(2) . . . . ?
C37 B17 B20 B21 -148.1(3) . . . . ?
C47 B17 B20 B21 -1.4(3) . . . . ?
B19 B17 B20 B21 -38.6(2) . . . . ?
B15 B17 B20 B21 63.7(3) . . . . ?
B18 B17 B20 B21 101.1(2) . . . . ?
C37 B17 B20 B18 110.8(3) . . . . ?
C47 B17 B20 B18 -102.5(2) . . . . ?
B19 B17 B20 B18 -139.7(2) . . . . ?
B15 B17 B20 B18 -37.4(2) . . . . ?
C37 B17 B20 B22 149.0(3) . . . . ?
C47 B17 B20 B22 -64.3(3) . . . . ?
B19 B17 B20 B22 -101.6(2) . . . . ?
B15 B17 B20 B22 0.7(3) . . . . ?
B18 B17 B20 B22 38.1(2) . . . . ?
C37 C48 B20 C40 -1.1(5) . . . . ?
B16 C48 B20 C40 145.6(3) . . . . ?
B19 C48 B20 C40 108.4(3) . . . . ?
B15 C48 B20 C40 -149.3(3) . . . . ?
B18 C48 B20 C40 -111.9(3) . . . . ?
C37 C48 B20 B19 -109.4(3) . . . . ?
B16 C48 B20 B19 37.3(2) . . . . ?
B15 C48 B20 B19 102.3(3) . . . . ?
B18 C48 B20 B19 139.7(2) . . . . ?
C37 C48 B20 B21 -148.1(3) . . . . ?
B16 C48 B20 B21 -1.4(3) . . . . ?
B19 C48 B20 B21 -38.6(2) . . . . ?
B15 C48 B20 B21 63.7(3) . . . . ?
B18 C48 B20 B21 101.1(2) . . . . ?
C37 C48 B20 B18 110.8(3) . . . . ?
B16 C48 B20 B18 -102.5(2) . . . . ?
B19 C48 B20 B18 -139.7(2) . . . . ?
B15 C48 B20 B18 -37.4(2) . . . . ?
C37 C48 B20 B22 149.0(3) . . . . ?
B16 C48 B20 B22 -64.3(3) . . . . ?
B19 C48 B20 B22 -101.6(2) . . . . ?
B15 C48 B20 B22 0.7(3) . . . . ?
B18 C48 B20 B22 38.1(2) . . . . ?
C39 B19 B20 C40 -1.3(5) . . . . ?
B17 B19 B20 C40 -111.5(3) . . . . ?
C48 B19 B20 C40 -111.5(3) . . . . ?
C47 B19 B20 C40 -148.2(3) . . . . ?
B16 B19 B20 C40 -148.2(3) . . . . ?
B23 B19 B20 C40 148.9(3) . . . . ?
B21 B19 B20 C40 112.1(3) . . . . ?
C39 B19 B20 B17 110.2(3) . . . . ?
C47 B19 B20 B17 -36.6(2) . . . . ?
B23 B19 B20 B17 -99.5(2) . . . . ?
B21 B19 B20 B17 -136.4(2) . . . . ?
C39 B19 B20 C48 110.2(3) . . . . ?
B16 B19 B20 C48 -36.6(2) . . . . ?
B23 B19 B20 C48 -99.5(2) . . . . ?
B21 B19 B20 C48 -136.4(2) . . . . ?
C39 B19 B20 B21 -113.4(3) . . . . ?
B17 B19 B20 B21 136.4(2) . . . . ?
C48 B19 B20 B21 136.4(2) . . . . ?
C47 B19 B20 B21 99.7(2) . . . . ?
B16 B19 B20 B21 99.7(2) . . . . ?
B23 B19 B20 B21 36.8(2) . . . . ?
C39 B19 B20 B18 146.0(3) . . . . ?
B17 B19 B20 B18 35.8(2) . . . . ?
C48 B19 B20 B18 35.8(2) . . . . ?
C47 B19 B20 B18 -0.9(3) . . . . ?
B16 B19 B20 B18 -0.9(3) . . . . ?
B23 B19 B20 B18 -63.8(3) . . . . ?
B21 B19 B20 B18 -100.6(2) . . . . ?
C39 B19 B20 B22 -150.8(3) . . . . ?
B17 B19 B20 B22 98.9(2) . . . . ?
C48 B19 B20 B22 98.9(2) . . . . ?
C47 B19 B20 B22 62.3(3) . . . . ?
B16 B19 B20 B22 62.3(3) . . . . ?
B23 B19 B20 B22 -0.6(3) . . . . ?
B21 B19 B20 B22 -37.5(2) . . . . ?
C38 B18 B20 C40 -0.7(4) . . . . ?
B17 B18 B20 C40 110.4(3) . . . . ?
C48 B18 B20 C40 110.4(3) . . . . ?
B22 B18 B20 C40 -112.9(3) . . . . ?
B13 B18 B20 C40 -150.2(3) . . . . ?
B15 B18 B20 C40 146.4(3) . . . . ?
C38 B18 B20 B17 -111.1(3) . . . . ?
B22 B18 B20 B17 136.8(2) . . . . ?
B13 B18 B20 B17 99.4(2) . . . . ?
B15 B18 B20 B17 36.1(2) . . . . ?
C38 B18 B20 C48 -111.1(3) . . . . ?
B22 B18 B20 C48 136.8(2) . . . . ?
B13 B18 B20 C48 99.4(2) . . . . ?
B15 B18 B20 C48 36.1(2) . . . . ?
C38 B18 B20 B19 -146.9(3) . . . . ?
B17 B18 B20 B19 -35.8(2) . . . . ?
C48 B18 B20 B19 -35.8(2) . . . . ?
B22 B18 B20 B19 101.0(2) . . . . ?
B13 B18 B20 B19 63.6(3) . . . . ?
B15 B18 B20 B19 0.3(3) . . . . ?
C38 B18 B20 B21 149.7(3) . . . . ?
B17 B18 B20 B21 -99.2(2) . . . . ?
C48 B18 B20 B21 -99.2(2) . . . . ?
B22 B18 B20 B21 37.5(2) . . . . ?
B13 B18 B20 B21 0.2(3) . . . . ?
B15 B18 B20 B21 -63.2(3) . . . . ?
C38 B18 B20 B22 112.1(3) . . . . ?
B17 B18 B20 B22 -136.8(2) . . . . ?
C48 B18 B20 B22 -136.8(2) . . . . ?
B13 B18 B20 B22 -37.3(2) . . . . ?
B15 B18 B20 B22 -100.7(2) . . . . ?
C40 B20 B21 C41 3.1(4) . . . . ?
B17 B20 B21 C41 150.0(3) . . . . ?
C48 B20 B21 C41 150.0(3) . . . . ?
B19 B20 B21 C41 111.6(3) . . . . ?
B18 B20 B21 C41 -147.6(3) . . . . ?
B22 B20 B21 C41 -110.2(3) . . . . ?
C40 B20 B21 B23 -145.7(3) . . . . ?
B17 B20 B21 B23 1.2(3) . . . . ?
C48 B20 B21 B23 1.2(3) . . . . ?
B19 B20 B21 B23 -37.1(2) . . . . ?
B18 B20 B21 B23 63.6(3) . . . . ?
B22 B20 B21 B23 101.0(2) . . . . ?
C40 B20 B21 B24 150.4(3) . . . . ?
B17 B20 B21 B24 -62.7(3) . . . . ?
C48 B20 B21 B24 -62.7(3) . . . . ?
B19 B20 B21 B24 -101.0(2) . . . . ?
B18 B20 B21 B24 -0.2(3) . . . . ?
B22 B20 B21 B24 37.2(2) . . . . ?
C40 B20 B21 B19 -108.6(3) . . . . ?
B17 B20 B21 B19 38.3(2) . . . . ?
C48 B20 B21 B19 38.3(2) . . . . ?
B18 B20 B21 B19 100.8(2) . . . . ?
B22 B20 B21 B19 138.2(2) . . . . ?
C40 B20 B21 B22 113.3(3) . . . . ?
B17 B20 B21 B22 -99.8(2) . . . . ?
C48 B20 B21 B22 -99.8(2) . . . . ?
B19 B20 B21 B22 -138.2(2) . . . . ?
B18 B20 B21 B22 -37.4(2) . . . . ?
C39 B19 B21 C41 -0.7(4) . . . . ?
B17 B19 B21 C41 -149.1(3) . . . . ?
C48 B19 B21 C41 -149.1(3) . . . . ?
C47 B19 B21 C41 148.3(3) . . . . ?
B16 B19 B21 C41 148.3(3) . . . . ?
B23 B19 B21 C41 110.9(3) . . . . ?
B20 B19 B21 C41 -110.7(3) . . . . ?
C39 B19 B21 B23 -111.6(3) . . . . ?
B17 B19 B21 B23 100.0(2) . . . . ?
C48 B19 B21 B23 100.0(2) . . . . ?
C47 B19 B21 B23 37.3(2) . . . . ?
B16 B19 B21 B23 37.3(2) . . . . ?
B20 B19 B21 B23 138.4(2) . . . . ?
C39 B19 B21 B24 -149.2(3) . . . . ?
B17 B19 B21 B24 62.4(3) . . . . ?
C48 B19 B21 B24 62.4(3) . . . . ?
C47 B19 B21 B24 -0.3(3) . . . . ?
B16 B19 B21 B24 -0.3(3) . . . . ?
B23 B19 B21 B24 -37.6(2) . . . . ?
B20 B19 B21 B24 100.8(2) . . . . ?
C39 B19 B21 B20 110.0(3) . . . . ?
B17 B19 B21 B20 -38.4(2) . . . . ?
C48 B19 B21 B20 -38.4(2) . . . . ?
C47 B19 B21 B20 -101.1(2) . . . . ?
B16 B19 B21 B20 -101.1(2) . . . . ?
B23 B19 B21 B20 -138.4(2) . . . . ?
C39 B19 B21 B22 147.4(3) . . . . ?
B17 B19 B21 B22 -1.0(3) . . . . ?
C48 B19 B21 B22 -1.0(3) . . . . ?
C47 B19 B21 B22 -63.7(3) . . . . ?
B16 B19 B21 B22 -63.7(3) . . . . ?
B23 B19 B21 B22 -101.0(2) . . . . ?
B20 B19 B21 B22 37.4(2) . . . . ?
C38 B18 B22 C42 -0.4(5) . . . . ?
B17 B18 B22 C42 147.3(3) . . . . ?
C48 B18 B22 C42 147.3(3) . . . . ?
B13 B18 B22 C42 -112.4(3) . . . . ?
B15 B18 B22 C42 -150.1(3) . . . . ?
B20 B18 B22 C42 109.2(3) . . . . ?
C38 B18 B22 B13 112.0(3) . . . . ?
B17 B18 B22 B13 -100.3(2) . . . . ?
C48 B18 B22 B13 -100.3(2) . . . . ?
B15 B18 B22 B13 -37.6(2) . . . . ?
B20 B18 B22 B13 -138.4(2) . . . . ?
C38 B18 B22 B24 149.7(3) . . . . ?
B17 B18 B22 B24 -62.6(3) . . . . ?
C48 B18 B22 B24 -62.6(3) . . . . ?
B13 B18 B22 B24 37.7(2) . . . . ?
B15 B18 B22 B24 0.0(3) . . . . ?
B20 B18 B22 B24 -100.7(2) . . . . ?
C38 B18 B22 B20 -109.6(3) . . . . ?
B17 B18 B22 B20 38.1(2) . . . . ?
C48 B18 B22 B20 38.1(2) . . . . ?
B13 B18 B22 B20 138.4(2) . . . . ?
B15 B18 B22 B20 100.7(2) . . . . ?
C38 B18 B22 B21 -147.1(3) . . . . ?
B17 B18 B22 B21 0.7(3) . . . . ?
C48 B18 B22 B21 0.7(3) . . . . ?
B13 B18 B22 B21 100.9(2) . . . . ?
B15 B18 B22 B21 63.3(3) . . . . ?
B20 B18 B22 B21 -37.5(2) . . . . ?
C33 B13 B22 C42 0.1(4) . . . . ?
B15 B13 B22 C42 147.7(3) . . . . ?
B18 B13 B22 C42 110.0(3) . . . . ?
B24 B13 B22 C42 -112.1(3) . . . . ?
B14 B13 B22 C42 -149.6(3) . . . . ?
C33 B13 B22 B18 -109.9(3) . . . . ?
B15 B13 B22 B18 37.7(2) . . . . ?
B24 B13 B22 B18 137.9(2) . . . . ?
B14 B13 B22 B18 100.5(2) . . . . ?
C33 B13 B22 B24 112.2(3) . . . . ?
B15 B13 B22 B24 -100.2(2) . . . . ?
B18 B13 B22 B24 -137.9(2) . . . . ?
B14 B13 B22 B24 -37.4(2) . . . . ?
C33 B13 B22 B20 -147.2(3) . . . . ?
B15 B13 B22 B20 0.4(3) . . . . ?
B18 B13 B22 B20 -37.3(2) . . . . ?
B24 B13 B22 B20 100.6(2) . . . . ?
B14 B13 B22 B20 63.2(3) . . . . ?
C33 B13 B22 B21 149.5(3) . . . . ?
B15 B13 B22 B21 -62.9(3) . . . . ?
B18 B13 B22 B21 -100.6(2) . . . . ?
B24 B13 B22 B21 37.3(2) . . . . ?
B14 B13 B22 B21 -0.1(3) . . . . ?
C40 B20 B22 C42 0.4(4) . . . . ?
B17 B20 B22 C42 -149.0(3) . . . . ?
C48 B20 B22 C42 -149.0(3) . . . . ?
B19 B20 B22 C42 148.5(3) . . . . ?
B21 B20 B22 C42 111.0(3) . . . . ?
B18 B20 B22 C42 -111.0(3) . . . . ?
C40 B20 B22 B18 111.4(3) . . . . ?
B17 B20 B22 B18 -38.0(2) . . . . ?
C48 B20 B22 B18 -38.0(2) . . . . ?
B19 B20 B22 B18 -100.5(2) . . . . ?
B21 B20 B22 B18 -138.0(2) . . . . ?
C40 B20 B22 B13 148.6(3) . . . . ?
B17 B20 B22 B13 -0.7(3) . . . . ?
C48 B20 B22 B13 -0.7(3) . . . . ?
B19 B20 B22 B13 -63.2(3) . . . . ?
B21 B20 B22 B13 -100.7(2) . . . . ?
B18 B20 B22 B13 37.3(2) . . . . ?
C40 B20 B22 B24 -147.7(3) . . . . ?
B17 B20 B22 B24 63.0(3) . . . . ?
C48 B20 B22 B24 63.0(3) . . . . ?
B19 B20 B22 B24 0.4(3) . . . . ?
B21 B20 B22 B24 -37.1(2) . . . . ?
B18 B20 B22 B24 100.9(2) . . . . ?
C40 B20 B22 B21 -110.7(3) . . . . ?
B17 B20 B22 B21 100.0(2) . . . . ?
C48 B20 B22 B21 100.0(2) . . . . ?
B19 B20 B22 B21 37.5(2) . . . . ?
B18 B20 B22 B21 138.0(2) . . . . ?
C41 B21 B22 C42 2.2(4) . . . . ?
B23 B21 B22 C42 150.2(3) . . . . ?
B24 B21 B22 C42 112.5(3) . . . . ?
B20 B21 B22 C42 -109.1(3) . . . . ?
B19 B21 B22 C42 -146.4(3) . . . . ?
C41 B21 B22 B18 148.8(3) . . . . ?
B23 B21 B22 B18 -63.1(3) . . . . ?
B24 B21 B22 B18 -100.9(2) . . . . ?
B20 B21 B22 B18 37.6(2) . . . . ?
B19 B21 B22 B18 0.2(3) . . . . ?
C41 B21 B22 B13 -147.8(3) . . . . ?
B23 B21 B22 B13 0.3(3) . . . . ?
B24 B21 B22 B13 -37.5(2) . . . . ?
B20 B21 B22 B13 101.0(2) . . . . ?
B19 B21 B22 B13 63.7(3) . . . . ?
C41 B21 B22 B24 -110.3(3) . . . . ?
B23 B21 B22 B24 37.8(2) . . . . ?
B20 B21 B22 B24 138.4(2) . . . . ?
B19 B21 B22 B24 101.1(2) . . . . ?
C41 B21 B22 B20 111.2(3) . . . . ?
B23 B21 B22 B20 -100.7(2) . . . . ?
B24 B21 B22 B20 -138.4(2) . . . . ?
B19 B21 B22 B20 -37.3(2) . . . . ?
C36 C47 B23 C43 -2.4(5) . . . . ?
B17 C47 B23 C43 -149.9(3) . . . . ?
B19 C47 B23 C43 -111.6(3) . . . . ?
B14 C47 B23 C43 109.3(3) . . . . ?
B15 C47 B23 C43 146.6(3) . . . . ?
C36 C47 B23 B21 147.3(3) . . . . ?
B17 C47 B23 B21 -0.3(3) . . . . ?
B19 C47 B23 B21 38.1(2) . . . . ?
B14 C47 B23 B21 -101.0(2) . . . . ?
B15 C47 B23 B21 -63.8(3) . . . . ?
C36 C47 B23 B19 109.2(3) . . . . ?
B17 C47 B23 B19 -38.4(2) . . . . ?
B14 C47 B23 B19 -139.1(2) . . . . ?
B15 C47 B23 B19 -101.9(2) . . . . ?
C36 C47 B23 B14 -111.7(3) . . . . ?
B17 C47 B23 B14 100.8(2) . . . . ?
B19 C47 B23 B14 139.1(2) . . . . ?
B15 C47 B23 B14 37.3(2) . . . . ?
C36 C47 B23 B24 -148.9(3) . . . . ?
B17 C47 B23 B24 63.5(3) . . . . ?
B19 C47 B23 B24 101.9(2) . . . . ?
B14 C47 B23 B24 -37.2(2) . . . . ?
B15 C47 B23 B24 0.0(3) . . . . ?
C36 B16 B23 C43 -2.4(5) . . . . ?
C48 B16 B23 C43 -149.9(3) . . . . ?
B19 B16 B23 C43 -111.6(3) . . . . ?
B14 B16 B23 C43 109.3(3) . . . . ?
B15 B16 B23 C43 146.6(3) . . . . ?
C36 B16 B23 B21 147.3(3) . . . . ?
C48 B16 B23 B21 -0.3(3) . . . . ?
B19 B16 B23 B21 38.1(2) . . . . ?
B14 B16 B23 B21 -101.0(2) . . . . ?
B15 B16 B23 B21 -63.8(3) . . . . ?
C36 B16 B23 B19 109.2(3) . . . . ?
C48 B16 B23 B19 -38.4(2) . . . . ?
B14 B16 B23 B19 -139.1(2) . . . . ?
B15 B16 B23 B19 -101.9(2) . . . . ?
C36 B16 B23 B14 -111.7(3) . . . . ?
C48 B16 B23 B14 100.8(2) . . . . ?
B19 B16 B23 B14 139.1(2) . . . . ?
B15 B16 B23 B14 37.3(2) . . . . ?
C36 B16 B23 B24 -148.9(3) . . . . ?
C48 B16 B23 B24 63.5(3) . . . . ?
B19 B16 B23 B24 101.9(2) . . . . ?
B14 B16 B23 B24 -37.2(2) . . . . ?
B15 B16 B23 B24 0.0(3) . . . . ?
C41 B21 B23 C43 -0.1(5) . . . . ?
B24 B21 B23 C43 -110.3(3) . . . . ?
B20 B21 B23 C43 148.6(3) . . . . ?
B19 B21 B23 C43 111.5(3) . . . . ?
B22 B21 B23 C43 -147.9(3) . . . . ?
C41 B21 B23 C47 -149.3(3) . . . . ?
B24 B21 B23 C47 100.5(2) . . . . ?
B20 B21 B23 C47 -0.6(3) . . . . ?
B19 B21 B23 C47 -37.7(2) . . . . ?
B22 B21 B23 C47 62.9(3) . . . . ?
C41 B21 B23 B16 -149.3(3) . . . . ?
B24 B21 B23 B16 100.5(2) . . . . ?
B20 B21 B23 B16 -0.6(3) . . . . ?
B19 B21 B23 B16 -37.7(2) . . . . ?
B22 B21 B23 B16 62.9(3) . . . . ?
C41 B21 B23 B19 -111.6(3) . . . . ?
B24 B21 B23 B19 138.2(2) . . . . ?
B20 B21 B23 B19 37.1(2) . . . . ?
B22 B21 B23 B19 100.6(2) . . . . ?
C41 B21 B23 B14 147.4(3) . . . . ?
B24 B21 B23 B14 37.2(2) . . . . ?
B20 B21 B23 B14 -63.9(3) . . . . ?
B19 B21 B23 B14 -101.0(2) . . . . ?
B22 B21 B23 B14 -0.3(3) . . . . ?
C41 B21 B23 B24 110.2(3) . . . . ?
B20 B21 B23 B24 -101.1(2) . . . . ?
B19 B21 B23 B24 -138.2(2) . . . . ?
B22 B21 B23 B24 -37.5(2) . . . . ?
C39 B19 B23 C43 0.4(5) . . . . ?
B17 B19 B23 C43 148.0(3) . . . . ?
C48 B19 B23 C43 148.0(3) . . . . ?
C47 B19 B23 C43 110.2(3) . . . . ?
B16 B19 B23 C43 110.2(3) . . . . ?
B20 B19 B23 C43 -149.2(3) . . . . ?
B21 B19 B23 C43 -112.1(3) . . . . ?
C39 B19 B23 C47 -109.7(3) . . . . ?
B17 B19 B23 C47 37.9(2) . . . . ?
B20 B19 B23 C47 100.6(3) . . . . ?
B21 B19 B23 C47 137.7(2) . . . . ?
C39 B19 B23 B16 -109.7(3) . . . . ?
C48 B19 B23 B16 37.9(2) . . . . ?
B20 B19 B23 B16 100.6(3) . . . . ?
B21 B19 B23 B16 137.7(2) . . . . ?
C39 B19 B23 B21 112.5(3) . . . . ?
B17 B19 B23 B21 -99.9(2) . . . . ?
C48 B19 B23 B21 -99.9(2) . . . . ?
C47 B19 B23 B21 -137.7(2) . . . . ?
B16 B19 B23 B21 -137.7(2) . . . . ?
B20 B19 B23 B21 -37.1(2) . . . . ?
C39 B19 B23 B14 -146.3(3) . . . . ?
B17 B19 B23 B14 1.3(3) . . . . ?
C48 B19 B23 B14 1.3(3) . . . . ?
C47 B19 B23 B14 -36.5(2) . . . . ?
B16 B19 B23 B14 -36.5(2) . . . . ?
B20 B19 B23 B14 64.1(3) . . . . ?
B21 B19 B23 B14 101.2(2) . . . . ?
C39 B19 B23 B24 150.3(3) . . . . ?
B17 B19 B23 B24 -62.1(3) . . . . ?
C48 B19 B23 B24 -62.1(3) . . . . ?
C47 B19 B23 B24 -100.0(2) . . . . ?
B16 B19 B23 B24 -100.0(2) . . . . ?
B20 B19 B23 B24 0.6(3) . . . . ?
B21 B19 B23 B24 37.8(2) . . . . ?
C34 B14 B23 C43 -0.7(4) . . . . ?
C47 B14 B23 C43 -110.9(3) . . . . ?
B16 B14 B23 C43 -110.9(3) . . . . ?
B24 B14 B23 C43 110.9(3) . . . . ?
B15 B14 B23 C43 -147.8(3) . . . . ?
B13 B14 B23 C43 148.6(3) . . . . ?
C34 B14 B23 C47 110.2(3) . . . . ?
B24 B14 B23 C47 -138.2(2) . . . . ?
B15 B14 B23 C47 -37.0(2) . . . . ?
B13 B14 B23 C47 -100.5(2) . . . . ?
C34 B14 B23 B16 110.2(3) . . . . ?
B24 B14 B23 B16 -138.2(2) . . . . ?
B15 B14 B23 B16 -37.0(2) . . . . ?
B13 B14 B23 B16 -100.5(2) . . . . ?
C34 B14 B23 B21 -149.1(3) . . . . ?
C47 B14 B23 B21 100.8(2) . . . . ?
B16 B14 B23 B21 100.8(2) . . . . ?
B24 B14 B23 B21 -37.4(2) . . . . ?
B15 B14 B23 B21 63.8(3) . . . . ?
B13 B14 B23 B21 0.3(3) . . . . ?
C34 B14 B23 B19 146.7(3) . . . . ?
C47 B14 B23 B19 36.5(2) . . . . ?
B16 B14 B23 B19 36.5(2) . . . . ?
B24 B14 B23 B19 -101.7(2) . . . . ?
B15 B14 B23 B19 -0.4(3) . . . . ?
B13 B14 B23 B19 -64.0(3) . . . . ?
C34 B14 B23 B24 -111.6(3) . . . . ?
C47 B14 B23 B24 138.2(2) . . . . ?
B16 B14 B23 B24 138.2(2) . . . . ?
B15 B14 B23 B24 101.2(2) . . . . ?
B13 B14 B23 B24 37.7(2) . . . . ?
C34 B14 B24 C44 -1.3(5) . . . . ?
C47 B14 B24 C44 -147.8(3) . . . . ?
B16 B14 B24 C44 -147.8(3) . . . . ?
B23 B14 B24 C44 -110.7(3) . . . . ?
B15 B14 B24 C44 148.4(3) . . . . ?
B13 B14 B24 C44 111.3(3) . . . . ?
C34 B14 B24 B21 146.1(3) . . . . ?
C47 B14 B24 B21 -0.5(3) . . . . ?
B16 B14 B24 B21 -0.5(3) . . . . ?
B23 B14 B24 B21 36.7(2) . . . . ?
B15 B14 B24 B21 -64.2(3) . . . . ?
B13 B14 B24 B21 -101.4(2) . . . . ?
C34 B14 B24 B23 109.4(3) . . . . ?
C47 B14 B24 B23 -37.2(2) . . . . ?
B16 B14 B24 B23 -37.2(2) . . . . ?
B15 B14 B24 B23 -101.0(2) . . . . ?
B13 B14 B24 B23 -138.1(2) . . . . ?
C34 B14 B24 B22 -150.4(3) . . . . ?
C47 B14 B24 B22 63.1(3) . . . . ?
B16 B14 B24 B22 63.1(3) . . . . ?
B23 B14 B24 B22 100.3(2) . . . . ?
B15 B14 B24 B22 -0.7(3) . . . . ?
B13 B14 B24 B22 -37.8(2) . . . . ?
C34 B14 B24 B13 -112.5(3) . . . . ?
C47 B14 B24 B13 100.9(2) . . . . ?
B16 B14 B24 B13 100.9(2) . . . . ?
B23 B14 B24 B13 138.1(2) . . . . ?
B15 B14 B24 B13 37.1(2) . . . . ?
C41 B21 B24 C44 -1.2(4) . . . . ?
B23 B21 B24 C44 110.4(3) . . . . ?
B20 B21 B24 C44 -148.8(3) . . . . ?
B19 B21 B24 C44 147.8(3) . . . . ?
B22 B21 B24 C44 -111.6(3) . . . . ?
C41 B21 B24 B14 -148.6(3) . . . . ?
B23 B21 B24 B14 -37.0(2) . . . . ?
B20 B21 B24 B14 63.8(3) . . . . ?
B19 B21 B24 B14 0.5(3) . . . . ?
B22 B21 B24 B14 101.0(2) . . . . ?
C41 B21 B24 B23 -111.6(3) . . . . ?
B20 B21 B24 B23 100.8(2) . . . . ?
B19 B21 B24 B23 37.4(2) . . . . ?
B22 B21 B24 B23 138.0(2) . . . . ?
C41 B21 B24 B22 110.4(3) . . . . ?
B23 B21 B24 B22 -138.0(2) . . . . ?
B20 B21 B24 B22 -37.2(2) . . . . ?
B19 B21 B24 B22 -100.6(2) . . . . ?
C41 B21 B24 B13 147.8(3) . . . . ?
B23 B21 B24 B13 -100.6(2) . . . . ?
B20 B21 B24 B13 0.2(3) . . . . ?
B19 B21 B24 B13 -63.2(3) . . . . ?
B22 B21 B24 B13 37.4(2) . . . . ?
C43 B23 B24 C44 1.5(4) . . . . ?
C47 B23 B24 C44 148.1(3) . . . . ?
B16 B23 B24 C44 148.1(3) . . . . ?
B21 B23 B24 C44 -110.7(3) . . . . ?
B19 B23 B24 C44 -148.6(3) . . . . ?
B14 B23 B24 C44 110.9(3) . . . . ?
C43 B23 B24 B14 -109.4(3) . . . . ?
C47 B23 B24 B14 37.2(2) . . . . ?
B16 B23 B24 B14 37.2(2) . . . . ?
B21 B23 B24 B14 138.4(2) . . . . ?
B19 B23 B24 B14 100.5(2) . . . . ?
C43 B23 B24 B21 112.3(3) . . . . ?
C47 B23 B24 B21 -101.2(2) . . . . ?
B16 B23 B24 B21 -101.2(2) . . . . ?
B19 B23 B24 B21 -37.9(2) . . . . ?
B14 B23 B24 B21 -138.4(2) . . . . ?
C43 B23 B24 B22 149.8(3) . . . . ?
C47 B23 B24 B22 -63.7(3) . . . . ?
B16 B23 B24 B22 -63.7(3) . . . . ?
B21 B23 B24 B22 37.5(2) . . . . ?
B19 B23 B24 B22 -0.4(3) . . . . ?
B14 B23 B24 B22 -100.9(2) . . . . ?
C43 B23 B24 B13 -147.0(3) . . . . ?
C47 B23 B24 B13 -0.4(3) . . . . ?
B16 B23 B24 B13 -0.4(3) . . . . ?
B21 B23 B24 B13 100.8(2) . . . . ?
B19 B23 B24 B13 62.9(3) . . . . ?
B14 B23 B24 B13 -37.6(2) . . . . ?
C42 B22 B24 C44 1.0(4) . . . . ?
B18 B22 B24 C44 -148.5(3) . . . . ?
B13 B22 B24 C44 -110.9(3) . . . . ?
B20 B22 B24 C44 148.0(3) . . . . ?
B21 B22 B24 C44 110.9(3) . . . . ?
C42 B22 B24 B14 149.9(3) . . . . ?
B18 B22 B24 B14 0.4(3) . . . . ?
B13 B22 B24 B14 38.0(2) . . . . ?
B20 B22 B24 B14 -63.1(3) . . . . ?
B21 B22 B24 B14 -100.2(2) . . . . ?
C42 B22 B24 B21 -109.9(3) . . . . ?
B18 B22 B24 B21 100.6(2) . . . . ?
B13 B22 B24 B21 138.2(2) . . . . ?
B20 B22 B24 B21 37.1(2) . . . . ?
C42 B22 B24 B23 -147.0(3) . . . . ?
B18 B22 B24 B23 63.5(3) . . . . ?
B13 B22 B24 B23 101.1(2) . . . . ?
B20 B22 B24 B23 0.0(3) . . . . ?
B21 B22 B24 B23 -37.1(2) . . . . ?
C42 B22 B24 B13 111.9(3) . . . . ?
B18 B22 B24 B13 -37.6(2) . . . . ?
B20 B22 B24 B13 -101.1(2) . . . . ?
B21 B22 B24 B13 -138.2(2) . . . . ?
C33 B13 B24 C44 -1.0(4) . . . . ?
B15 B13 B24 C44 -147.7(3) . . . . ?
B18 B13 B24 C44 148.9(3) . . . . ?
B22 B13 B24 C44 111.4(3) . . . . ?
B14 B13 B24 C44 -111.0(3) . . . . ?
C33 B13 B24 B14 110.0(3) . . . . ?
B15 B13 B24 B14 -36.7(2) . . . . ?
B18 B13 B24 B14 -100.1(2) . . . . ?
B22 B13 B24 B14 -137.6(2) . . . . ?
C33 B13 B24 B21 -150.0(3) . . . . ?
B15 B13 B24 B21 63.3(3) . . . . ?
B18 B13 B24 B21 0.0(3) . . . . ?
B22 B13 B24 B21 -37.5(2) . . . . ?
B14 B13 B24 B21 100.0(2) . . . . ?
C33 B13 B24 B23 147.4(3) . . . . ?
B15 B13 B24 B23 0.7(3) . . . . ?
B18 B13 B24 B23 -62.7(3) . . . . ?
B22 B13 B24 B23 -100.2(2) . . . . ?
B14 B13 B24 B23 37.4(2) . . . . ?
C33 B13 B24 B22 -112.4(3) . . . . ?
B15 B13 B24 B22 100.8(2) . . . . ?
B18 B13 B24 B22 37.5(2) . . . . ?
B14 B13 B24 B22 137.6(2) . . . . ?
C6 C1 S1 C2 -172.1(2) . . . . ?
S2 C1 S1 C2 1.44(17) . . . . ?
C3 C2 S1 C1 -0.7(2) . . . . ?
S3 C2 S1 C1 -178.43(15) . . . . ?
C6 C1 S2 C3 172.0(2) . . . . ?
S1 C1 S2 C3 -1.57(16) . . . . ?
C2 C3 S2 C1 1.1(2) . . . . ?
S4 C3 S2 C1 -179.82(15) . . . . ?
C3 C2 S3 C4 -7.3(3) . . . . ?
S1 C2 S3 C4 170.11(17) . . . . ?
C5 C4 S3 C2 43.5(3) . . . . ?
C2 C3 S4 C5 -17.3(3) . . . . ?
S2 C3 S4 C5 163.76(16) . . . . ?
C4 C5 S4 C3 53.1(2) . . . . ?
C1 C6 S5 C7 179.5(2) . . . . ?
S6 C6 S5 C7 0.73(16) . . . . ?
C8 C7 S5 C6 -0.6(2) . . . . ?
S7 C7 S5 C6 -176.17(16) . . . . ?
C1 C6 S6 C8 -179.3(2) . . . . ?
S5 C6 S6 C8 -0.62(16) . . . . ?
C7 C8 S6 C6 0.2(2) . . . . ?
S8 C8 S6 C6 177.06(15) . . . . ?
C8 C7 S7 C9 -36.9(3) . . . . ?
S5 C7 S7 C9 138.34(17) . . . . ?
C10 C9 S7 C7 66.9(2) . . . . ?
C7 C8 S8 C10 15.5(3) . . . . ?
S6 C8 S8 C10 -160.89(19) . . . . ?
C9 C10 S8 C8 17.3(3) . . . . ?
C16 C11 S9 C12 -179.2(2) . . . . ?
S10 C11 S9 C12 3.83(17) . . . . ?
C13 C12 S9 C11 -2.2(2) . . . . ?
S11 C12 S9 C11 -178.07(15) . . . . ?
C16 C11 S10 C13 179.1(2) . . . . ?
S9 C11 S10 C13 -3.88(17) . . . . ?
C12 C13 S10 C11 2.4(2) . . . . ?
S12 C13 S10 C11 177.08(16) . . . . ?
C13 C12 S11 C14 -4.5(3) . . . . ?
S9 C12 S11 C14 170.71(17) . . . . ?
C15 C14 S11 C12 -31.1(3) . . . . ?
C12 C13 S12 C15 29.0(3) . . . . ?
S10 C13 S12 C15 -145.10(17) . . . . ?
C14 C15 S12 C13 -63.0(2) . . . . ?
C11 C16 S13 C17 -176.9(2) . . . . ?
S14 C16 S13 C17 -0.91(18) . . . . ?
C18 C17 S13 C16 1.0(3) . . . . ?
S15 C17 S13 C16 179.12(16) . . . . ?
C11 C16 S14 C18 176.6(2) . . . . ?
S13 C16 S14 C18 0.59(18) . . . . ?
C17 C18 S14 C16 0.1(3) . . . . ?
S16 C18 S14 C16 -179.01(17) . . . . ?
C18 C17 S15 C19 20.2(3) . . . . ?
S13 C17 S15 C19 -157.69(17) . . . . ?
C20 C19 S15 C17 -55.8(2) . . . . ?
C17 C18 S16 C20 6.7(3) . . . . ?
S14 C18 S16 C20 -174.32(17) . . . . ?
C19 C20 S16 C18 -42.4(3) . . . . ?

_refine_diff_density_max         1.205
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.070



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RS159_0m
_database_code_depnum_ccdc_archive 'CCDC 2031395'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue UNiversity
United States of America
;
_audit_update_record             
;
2020-09-10 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C H6 B11 Br6, C10 H8 S8, C H2 Cl2'
_chemical_formula_sum            'C12 H16 B11 Br6 Cl2 S8'
_chemical_formula_weight         1086.00

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   11.0183(9)
_cell_length_b                   11.7862(8)
_cell_length_c                   26.111(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.046(3)
_cell_angle_gamma                90
_cell_volume                     3388.7(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9961
_cell_measurement_theta_min      2.4603
_cell_measurement_theta_max      32.0723

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.129
_exptl_crystal_F_000             2060
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    7.771
_shelx_estimated_absorpt_T_min   0.369
_shelx_estimated_absorpt_T_max   0.482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5578
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_measurement_device_type  
;
Bruker AXS D8 Quest diffractometer with PhotonII charge-integrating pixel 
array detector (CPAD)
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean 7.4074
_diffrn_reflns_number            36861
_diffrn_reflns_av_unetI/netI     0.0613
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.329
_diffrn_reflns_theta_max         33.223
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12654
_reflns_number_gt                8374
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 v2019.1-0 (Bruker, 2019)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev1117 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0237P)²+2.9712P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12654
_refine_ls_number_parameters     358
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0385
_refine_ls_wR_factor_ref         0.0794
_refine_ls_wR_factor_gt          0.0687
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Br1 Br 0.34101(3) 0.80916(3) 0.13872(2) 0.03176(8) Uani 1 1 d . . . . .
Br2 Br 0.06473(3) 0.72901(3) 0.21545(2) 0.03290(8) Uani 1 1 d . . . . .
Br3 Br -0.00137(3) 0.41489(3) 0.19504(2) 0.03048(8) Uani 1 1 d . . . . .
Br4 Br 0.23620(3) 0.29508(2) 0.10470(2) 0.02735(7) Uani 1 1 d . . . . .
Br5 Br 0.44918(3) 0.53829(3) 0.07054(2) 0.02806(7) Uani 1 1 d . . . . .
Br6 Br 0.32623(3) 0.51805(3) 0.20709(2) 0.02663(7) Uani 1 1 d . . . . .
Cl1 Cl 0.62231(10) 0.69796(10) 0.20140(4) 0.0531(3) Uani 1 1 d . . . . .
Cl2 Cl 0.74539(9) 0.56489(8) 0.28156(4) 0.0443(2) Uani 1 1 d . . . . .
S1 S 0.43540(7) 0.42568(6) 0.59434(3) 0.02153(14) Uani 1 1 d . . . . .
S2 S 0.57044(12) 0.33774(9) 0.68372(4) 0.0513(3) Uani 1 1 d . . . . .
S3 S 0.53874(6) 0.27186(6) 0.52077(3) 0.02065(14) Uani 1 1 d . . . . .
S4 S 0.70316(7) 0.15720(7) 0.59803(3) 0.02638(16) Uani 1 1 d . . . . .
S5 S 0.25133(7) 0.52256(6) 0.50683(3) 0.02191(14) Uani 1 1 d . . . . .
S6 S 0.05203(8) 0.60657(7) 0.43853(3) 0.03126(18) Uani 1 1 d . . . . .
S7 S 0.35493(7) 0.37141(6) 0.43206(3) 0.02249(15) Uani 1 1 d . . . . .
S8 S 0.18390(8) 0.42749(8) 0.34752(3) 0.0358(2) Uani 1 1 d . . . . .
C1 C 0.4377(2) 0.3789(2) 0.53208(11) 0.0177(5) Uani 1 1 d . . . . .
C2 C 0.5443(3) 0.3311(2) 0.61792(11) 0.0227(6) Uani 1 1 d . . . . .
C3 C 0.6565(4) 0.2152(4) 0.69879(16) 0.0541(12) Uani 1 1 d . . . . .
H3A H 0.742261 0.238704 0.704176 0.065 Uiso 1 1 calc R U . . .
H3B H 0.629065 0.185570 0.731918 0.065 Uiso 1 1 calc R U . . .
C4 C 0.5942(3) 0.2602(2) 0.58371(11) 0.0201(6) Uani 1 1 d . . . . .
C5 C 0.6534(4) 0.1192(3) 0.66134(13) 0.0391(9) Uani 1 1 d . . . . .
H5A H 0.569345 0.089702 0.658109 0.047 Uiso 1 1 calc R U . . .
H5B H 0.705751 0.057272 0.675092 0.047 Uiso 1 1 calc R U . . .
C6 C 0.3571(2) 0.4204(2) 0.49420(11) 0.0190(5) Uani 1 1 d . . . . .
C7 C 0.1785(3) 0.5184(2) 0.44636(11) 0.0212(6) Uani 1 1 d . . . . .
C8 C 0.0517(4) 0.6217(3) 0.36937(15) 0.0424(9) Uani 1 1 d . . . . .
H8A H -0.019860 0.667426 0.358296 0.051 Uiso 1 1 calc R U . . .
H8B H 0.125125 0.664613 0.360245 0.051 Uiso 1 1 calc R U . . .
C9 C 0.2281(3) 0.4497(2) 0.41124(12) 0.0232(6) Uani 1 1 d . . . . .
C10 C 0.0491(4) 0.5149(3) 0.34064(15) 0.0424(9) Uani 1 1 d . . . . .
H10A H 0.035286 0.532748 0.303844 0.051 Uiso 1 1 calc R U . . .
H10B H -0.021249 0.469892 0.351592 0.051 Uiso 1 1 calc R U . . .
C11 C 0.0475(2) 0.6159(2) 0.05005(10) 0.0175(5) Uani 1 1 d . . . . .
H11 H -0.0044(18) 0.6336(6) 0.0213(10) 0.021 Uiso 1 1 calc R U . . .
C12 C 0.7324(4) 0.6982(3) 0.25130(16) 0.0451(10) Uani 1 1 d . . . . .
H12A H 0.710945 0.756085 0.276930 0.054 Uiso 1 1 calc R U . . .
H12B H 0.811847 0.719389 0.237540 0.054 Uiso 1 1 calc R U . . .
B1 B 0.1913(3) 0.6678(3) 0.05038(12) 0.0186(6) Uani 1 1 d . . . . .
H1 H 0.2274(12) 0.7177(16) 0.0214(9) 0.022 Uiso 1 1 calc R U . . .
B2 B 0.0812(3) 0.7229(3) 0.09153(13) 0.0208(6) Uani 1 1 d . . . . .
H2 H 0.0497(10) 0.807(3) 0.08797(17) 0.025 Uiso 1 1 calc R U . . .
B3 B -0.0173(3) 0.6100(3) 0.10773(12) 0.0210(6) Uani 1 1 d . . . . .
H3 H -0.113(3) 0.6246(5) 0.1144(2) 0.025 Uiso 1 1 calc R U . . .
B4 B 0.0327(3) 0.4847(3) 0.07651(12) 0.0188(6) Uani 1 1 d . . . . .
H4 H -0.0266(19) 0.424(2) 0.0643(4) 0.023 Uiso 1 1 calc R U . . .
B5 B 0.1618(3) 0.5213(3) 0.04095(12) 0.0179(6) Uani 1 1 d . . . . .
H5 H 0.1806(6) 0.4795(13) 0.0047(11) 0.022 Uiso 1 1 calc R U . . .
B6 B 0.2291(3) 0.6896(3) 0.11604(12) 0.0182(6) Uani 1 1 d . . . . .
B7 B 0.0999(3) 0.6542(3) 0.15140(12) 0.0187(6) Uani 1 1 d . . . . .
B8 B 0.0701(3) 0.5070(3) 0.14239(12) 0.0183(6) Uani 1 1 d . . . . .
B9 B 0.1805(3) 0.4522(2) 0.10046(12) 0.0166(6) Uani 1 1 d . . . . .
B10 B 0.2795(3) 0.5651(3) 0.08464(12) 0.0157(6) Uani 1 1 d . . . . .
B11 B 0.2230(3) 0.5554(3) 0.14790(12) 0.0162(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Br1 B6 1.951(3) . ?
Br2 B7 1.942(3) . ?
Br3 B8 1.940(3) . ?
Br4 B9 1.953(3) . ?
Br5 B10 1.945(3) . ?
Br6 B11 1.937(3) . ?
Cl1 C12 1.748(4) . ?
Cl2 C12 1.762(4) . ?
S1 C1 1.718(3) . ?
S1 C2 1.735(3) . ?
S2 C2 1.734(3) . ?
S2 C3 1.765(4) . ?
S3 C1 1.715(3) . ?
S3 C4 1.738(3) . ?
S4 C4 1.739(3) . ?
S4 C5 1.816(4) . ?
S5 C6 1.716(3) . ?
S5 C7 1.746(3) . ?
S6 C7 1.745(3) . ?
S6 C8 1.815(4) . ?
S7 C6 1.722(3) . ?
S7 C9 1.745(3) . ?
S8 C9 1.737(3) . ?
S8 C10 1.811(4) . ?
C1 C6 1.394(4) . ?
C2 C4 1.354(4) . ?
C3 C5 1.495(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C7 C9 1.353(4) . ?
C8 C10 1.465(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 B3 1.691(4) . ?
C11 B2 1.695(4) . ?
C11 B1 1.698(4) . ?
C11 B4 1.705(4) . ?
C11 B5 1.705(4) . ?
C11 H11 0.95(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
B1 B6 1.769(4) . ?
B1 B5 1.772(4) . ?
B1 B2 1.773(5) . ?
B1 B10 1.774(4) . ?
B1 H1 1.05(3) . ?
B2 B7 1.766(5) . ?
B2 B6 1.773(5) . ?
B2 B3 1.778(5) . ?
B2 H2 1.05(3) . ?
B3 B7 1.771(5) . ?
B3 B8 1.778(5) . ?
B3 B4 1.784(5) . ?
B3 H3 1.09(3) . ?
B4 B9 1.766(4) . ?
B4 B8 1.774(4) . ?
B4 B5 1.780(4) . ?
B4 H4 1.01(3) . ?
B5 B9 1.760(4) . ?
B5 B10 1.773(4) . ?
B5 H5 1.09(3) . ?
B6 B7 1.773(5) . ?
B6 B10 1.779(4) . ?
B6 B11 1.789(4) . ?
B7 B8 1.780(4) . ?
B7 B11 1.792(4) . ?
B8 B11 1.779(4) . ?
B8 B9 1.786(4) . ?
B9 B10 1.779(4) . ?
B9 B11 1.787(4) . ?
B10 B11 1.789(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
C1 S1 C2 95.51(14) . . ?
C2 S2 C3 104.64(18) . . ?
C1 S3 C4 95.96(14) . . ?
C4 S4 C5 98.00(16) . . ?
C6 S5 C7 95.73(14) . . ?
C7 S6 C8 98.53(16) . . ?
C6 S7 C9 95.76(14) . . ?
C9 S8 C10 102.13(16) . . ?
C6 C1 S3 122.5(2) . . ?
C6 C1 S1 121.9(2) . . ?
S3 C1 S1 115.51(16) . . ?
C4 C2 S2 128.7(2) . . ?
C4 C2 S1 117.0(2) . . ?
S2 C2 S1 114.26(17) . . ?
C5 C3 S2 118.3(3) . . ?
C5 C3 H3A 107.7 . . ?
S2 C3 H3A 107.7 . . ?
C5 C3 H3B 107.7 . . ?
S2 C3 H3B 107.7 . . ?
H3A C3 H3B 107.1 . . ?
C2 C4 S3 116.0(2) . . ?
C2 C4 S4 125.6(2) . . ?
S3 C4 S4 118.37(17) . . ?
C3 C5 S4 114.1(3) . . ?
C3 C5 H5A 108.7 . . ?
S4 C5 H5A 108.7 . . ?
C3 C5 H5B 108.7 . . ?
S4 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C1 C6 S5 122.0(2) . . ?
C1 C6 S7 122.5(2) . . ?
S5 C6 S7 115.45(16) . . ?
C9 C7 S6 128.1(2) . . ?
C9 C7 S5 116.5(2) . . ?
S6 C7 S5 115.37(17) . . ?
C10 C8 S6 115.1(3) . . ?
C10 C8 H8A 108.5 . . ?
S6 C8 H8A 108.5 . . ?
C10 C8 H8B 108.5 . . ?
S6 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
C7 C9 S8 129.3(2) . . ?
C7 C9 S7 116.3(2) . . ?
S8 C9 S7 114.39(17) . . ?
C8 C10 S8 115.9(3) . . ?
C8 C10 H10A 108.3 . . ?
S8 C10 H10A 108.3 . . ?
C8 C10 H10B 108.3 . . ?
S8 C10 H10B 108.3 . . ?
H10A C10 H10B 107.4 . . ?
B3 C11 B2 63.35(19) . . ?
B3 C11 B1 115.7(2) . . ?
B2 C11 B1 62.99(18) . . ?
B3 C11 B4 63.38(18) . . ?
B2 C11 B4 116.0(2) . . ?
B1 C11 B4 115.3(2) . . ?
B3 C11 B5 115.8(2) . . ?
B2 C11 B5 115.4(2) . . ?
B1 C11 B5 62.74(18) . . ?
B4 C11 B5 62.94(18) . . ?
B3 C11 H11 116.8 . . ?
B2 C11 H11 117.0 . . ?
B1 C11 H11 117.4 . . ?
B4 C11 H11 117.1 . . ?
B5 C11 H11 117.4 . . ?
Cl1 C12 Cl2 112.1(2) . . ?
Cl1 C12 H12A 109.2 . . ?
Cl2 C12 H12A 109.2 . . ?
Cl1 C12 H12B 109.2 . . ?
Cl2 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C11 B1 B6 104.2(2) . . ?
C11 B1 B5 58.84(17) . . ?
B6 B1 B5 108.2(2) . . ?
C11 B1 B2 58.43(18) . . ?
B6 B1 B2 60.10(18) . . ?
B5 B1 B2 108.4(2) . . ?
C11 B1 B10 104.6(2) . . ?
B6 B1 B10 60.31(18) . . ?
B5 B1 B10 60.00(17) . . ?
B2 B1 B10 108.6(2) . . ?
C11 B1 H1 125.2 . . ?
B6 B1 H1 122.4 . . ?
B5 B1 H1 121.2 . . ?
B2 B1 H1 121.2 . . ?
B10 B1 H1 122.1 . . ?
C11 B2 B7 103.9(2) . . ?
C11 B2 B1 58.58(17) . . ?
B7 B2 B1 107.9(2) . . ?
C11 B2 B6 104.1(2) . . ?
B7 B2 B6 60.13(18) . . ?
B1 B2 B6 59.84(18) . . ?
C11 B2 B3 58.22(18) . . ?
B7 B2 B3 59.94(19) . . ?
B1 B2 B3 107.8(2) . . ?
B6 B2 B3 108.0(2) . . ?
C11 B2 H2 125.4 . . ?
B7 B2 H2 122.5 . . ?
B1 B2 H2 121.5 . . ?
B6 B2 H2 122.4 . . ?
B3 B2 H2 121.5 . . ?
C11 B3 B7 103.9(2) . . ?
C11 B3 B8 104.1(2) . . ?
B7 B3 B8 60.24(18) . . ?
C11 B3 B2 58.43(18) . . ?
B7 B3 B2 59.70(18) . . ?
B8 B3 B2 108.0(2) . . ?
C11 B3 B4 58.68(17) . . ?
B7 B3 B4 107.9(2) . . ?
B8 B3 B4 59.75(18) . . ?
B2 B3 B4 108.1(2) . . ?
C11 B3 H3 125.3 . . ?
B7 B3 H3 122.6 . . ?
B8 B3 H3 122.5 . . ?
B2 B3 H3 121.5 . . ?
B4 B3 H3 121.4 . . ?
C11 B4 B9 103.9(2) . . ?
C11 B4 B8 103.7(2) . . ?
B9 B4 B8 60.60(18) . . ?
C11 B4 B5 58.55(17) . . ?
B9 B4 B5 59.52(17) . . ?
B8 B4 B5 107.9(2) . . ?
C11 B4 B3 57.94(18) . . ?
B9 B4 B3 108.3(2) . . ?
B8 B4 B3 59.95(18) . . ?
B5 B4 B3 107.6(2) . . ?
C11 B4 H4 125.7 . . ?
B9 B4 H4 122.3 . . ?
B8 B4 H4 122.4 . . ?
B5 B4 H4 121.7 . . ?
B3 B4 H4 121.6 . . ?
C11 B5 B9 104.1(2) . . ?
C11 B5 B1 58.41(17) . . ?
B9 B5 B1 108.3(2) . . ?
C11 B5 B10 104.3(2) . . ?
B9 B5 B10 60.46(17) . . ?
B1 B5 B10 60.06(17) . . ?
C11 B5 B4 58.50(17) . . ?
B9 B5 B4 59.82(18) . . ?
B1 B5 B4 108.0(2) . . ?
B10 B5 B4 108.3(2) . . ?
C11 B5 H5 125.4 . . ?
B9 B5 H5 122.4 . . ?
B1 B5 H5 121.4 . . ?
B10 B5 H5 122.2 . . ?
B4 B5 H5 121.4 . . ?
B1 B6 B2 60.07(18) . . ?
B1 B6 B7 107.8(2) . . ?
B2 B6 B7 59.74(18) . . ?
B1 B6 B10 59.99(17) . . ?
B2 B6 B10 108.3(2) . . ?
B7 B6 B10 108.4(2) . . ?
B1 B6 B11 108.1(2) . . ?
B2 B6 B11 108.3(2) . . ?
B7 B6 B11 60.39(18) . . ?
B10 B6 B11 60.19(17) . . ?
B1 B6 Br1 121.6(2) . . ?
B2 B6 Br1 120.8(2) . . ?
B7 B6 Br1 121.5(2) . . ?
B10 B6 Br1 122.1(2) . . ?
B11 B6 Br1 122.08(19) . . ?
B2 B7 B3 60.36(18) . . ?
B2 B7 B6 60.13(18) . . ?
B3 B7 B6 108.3(2) . . ?
B2 B7 B8 108.4(2) . . ?
B3 B7 B8 60.08(18) . . ?
B6 B7 B8 108.0(2) . . ?
B2 B7 B11 108.5(2) . . ?
B3 B7 B11 108.2(2) . . ?
B6 B7 B11 60.26(17) . . ?
B8 B7 B11 59.75(17) . . ?
B2 B7 Br2 122.2(2) . . ?
B3 B7 Br2 121.6(2) . . ?
B6 B7 Br2 122.0(2) . . ?
B8 B7 Br2 121.0(2) . . ?
B11 B7 Br2 120.91(19) . . ?
B4 B8 B3 60.30(18) . . ?
B4 B8 B11 108.2(2) . . ?
B3 B8 B11 108.4(2) . . ?
B4 B8 B7 107.9(2) . . ?
B3 B8 B7 59.69(18) . . ?
B11 B8 B7 60.44(18) . . ?
B4 B8 B9 59.47(17) . . ?
B3 B8 B9 107.7(2) . . ?
B11 B8 B9 60.16(17) . . ?
B7 B8 B9 107.9(2) . . ?
B4 B8 Br3 121.2(2) . . ?
B3 B8 Br3 121.1(2) . . ?
B11 B8 Br3 121.9(2) . . ?
B7 B8 Br3 121.95(19) . . ?
B9 B8 Br3 122.3(2) . . ?
B5 B9 B4 60.65(18) . . ?
B5 B9 B10 60.11(17) . . ?
B4 B9 B10 108.7(2) . . ?
B5 B9 B8 108.3(2) . . ?
B4 B9 B8 59.94(18) . . ?
B10 B9 B8 108.0(2) . . ?
B5 B9 B11 108.4(2) . . ?
B4 B9 B11 108.3(2) . . ?
B10 B9 B11 60.25(17) . . ?
B8 B9 B11 59.74(18) . . ?
B5 B9 Br4 121.0(2) . . ?
B4 B9 Br4 120.66(19) . . ?
B10 B9 Br4 121.9(2) . . ?
B8 B9 Br4 121.85(19) . . ?
B11 B9 Br4 122.16(19) . . ?
B5 B10 B1 59.95(17) . . ?
B5 B10 B9 59.42(17) . . ?
B1 B10 B9 107.3(2) . . ?
B5 B10 B6 107.7(2) . . ?
B1 B10 B6 59.70(17) . . ?
B9 B10 B6 107.8(2) . . ?
B5 B10 B11 107.8(2) . . ?
B1 B10 B11 107.9(2) . . ?
B9 B10 B11 60.10(17) . . ?
B6 B10 B11 60.19(17) . . ?
B5 B10 Br5 121.1(2) . . ?
B1 B10 Br5 121.91(19) . . ?
B9 B10 Br5 121.60(19) . . ?
B6 B10 Br5 122.64(19) . . ?
B11 B10 Br5 122.20(19) . . ?
B8 B11 B9 60.10(17) . . ?
B8 B11 B6 107.3(2) . . ?
B9 B11 B6 107.0(2) . . ?
B8 B11 B10 107.8(2) . . ?
B9 B11 B10 59.65(17) . . ?
B6 B11 B10 59.62(17) . . ?
B8 B11 B7 59.81(18) . . ?
B9 B11 B7 107.3(2) . . ?
B6 B11 B7 59.36(18) . . ?
B10 B11 B7 107.1(2) . . ?
B8 B11 Br6 121.3(2) . . ?
B9 B11 Br6 122.03(19) . . ?
B6 B11 Br6 122.77(19) . . ?
B10 B11 Br6 122.50(19) . . ?
B7 B11 Br6 122.08(19) . . ?

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
C4 S3 C1 C6 -175.4(2) . . . . ?
C4 S3 C1 S1 0.67(18) . . . . ?
C2 S1 C1 C6 174.8(2) . . . . ?
C2 S1 C1 S3 -1.32(19) . . . . ?
C3 S2 C2 C4 -10.2(4) . . . . ?
C3 S2 C2 S1 167.4(2) . . . . ?
C1 S1 C2 C4 1.7(3) . . . . ?
C1 S1 C2 S2 -176.16(17) . . . . ?
C2 S2 C3 C5 -19.8(4) . . . . ?
S2 C2 C4 S3 175.98(19) . . . . ?
S1 C2 C4 S3 -1.6(3) . . . . ?
S2 C2 C4 S4 -1.6(4) . . . . ?
S1 C2 C4 S4 -179.17(17) . . . . ?
C1 S3 C4 C2 0.5(3) . . . . ?
C1 S3 C4 S4 178.32(17) . . . . ?
C5 S4 C4 C2 33.4(3) . . . . ?
C5 S4 C4 S3 -144.20(19) . . . . ?
S2 C3 C5 S4 58.4(4) . . . . ?
C4 S4 C5 C3 -60.5(3) . . . . ?
S3 C1 C6 S5 176.66(15) . . . . ?
S1 C1 C6 S5 0.8(4) . . . . ?
S3 C1 C6 S7 -2.1(4) . . . . ?
S1 C1 C6 S7 -177.94(15) . . . . ?
C7 S5 C6 C1 -173.9(2) . . . . ?
C7 S5 C6 S7 4.93(19) . . . . ?
C9 S7 C6 C1 174.8(2) . . . . ?
C9 S7 C6 S5 -4.05(19) . . . . ?
C8 S6 C7 C9 -22.1(3) . . . . ?
C8 S6 C7 S5 156.3(2) . . . . ?
C6 S5 C7 C9 -4.2(3) . . . . ?
C6 S5 C7 S6 177.25(18) . . . . ?
C7 S6 C8 C10 55.0(3) . . . . ?
S6 C7 C9 S8 0.5(5) . . . . ?
S5 C7 C9 S8 -177.85(19) . . . . ?
S6 C7 C9 S7 -179.56(18) . . . . ?
S5 C7 C9 S7 2.1(3) . . . . ?
C10 S8 C9 C7 -2.6(3) . . . . ?
C10 S8 C9 S7 177.4(2) . . . . ?
C6 S7 C9 C7 1.1(3) . . . . ?
C6 S7 C9 S8 -178.89(17) . . . . ?
S6 C8 C10 S8 -67.5(4) . . . . ?
C9 S8 C10 C8 36.0(4) . . . . ?
B3 C11 B1 B6 4.2(3) . . . . ?
B2 C11 B1 B6 40.7(2) . . . . ?
B4 C11 B1 B6 -67.0(3) . . . . ?
B5 C11 B1 B6 -102.9(2) . . . . ?
B3 C11 B1 B5 107.1(2) . . . . ?
B2 C11 B1 B5 143.6(2) . . . . ?
B4 C11 B1 B5 35.9(2) . . . . ?
B3 C11 B1 B2 -36.5(2) . . . . ?
B4 C11 B1 B2 -107.7(3) . . . . ?
B5 C11 B1 B2 -143.6(2) . . . . ?
B3 C11 B1 B10 66.7(3) . . . . ?
B2 C11 B1 B10 103.1(2) . . . . ?
B4 C11 B1 B10 -4.5(3) . . . . ?
B5 C11 B1 B10 -40.5(2) . . . . ?
B3 C11 B2 B7 40.5(2) . . . . ?
B1 C11 B2 B7 -102.7(2) . . . . ?
B4 C11 B2 B7 3.9(3) . . . . ?
B5 C11 B2 B7 -66.9(3) . . . . ?
B3 C11 B2 B1 143.2(2) . . . . ?
B4 C11 B2 B1 106.6(3) . . . . ?
B5 C11 B2 B1 35.7(2) . . . . ?
B3 C11 B2 B6 102.7(2) . . . . ?
B1 C11 B2 B6 -40.5(2) . . . . ?
B4 C11 B2 B6 66.1(3) . . . . ?
B5 C11 B2 B6 -4.8(3) . . . . ?
B1 C11 B2 B3 -143.2(2) . . . . ?
B4 C11 B2 B3 -36.6(2) . . . . ?
B5 C11 B2 B3 -107.4(3) . . . . ?
B6 B1 B2 C11 -133.2(2) . . . . ?
B5 B1 B2 C11 -32.4(2) . . . . ?
B10 B1 B2 C11 -96.0(2) . . . . ?
C11 B1 B2 B7 95.7(2) . . . . ?
B6 B1 B2 B7 -37.5(2) . . . . ?
B5 B1 B2 B7 63.3(3) . . . . ?
B10 B1 B2 B7 -0.3(3) . . . . ?
C11 B1 B2 B6 133.2(2) . . . . ?
B5 B1 B2 B6 100.8(2) . . . . ?
B10 B1 B2 B6 37.2(2) . . . . ?
C11 B1 B2 B3 32.3(2) . . . . ?
B6 B1 B2 B3 -100.9(2) . . . . ?
B5 B1 B2 B3 0.0(3) . . . . ?
B10 B1 B2 B3 -63.7(3) . . . . ?
B2 C11 B3 B7 -40.4(2) . . . . ?
B1 C11 B3 B7 -4.1(3) . . . . ?
B4 C11 B3 B7 102.8(2) . . . . ?
B5 C11 B3 B7 66.6(3) . . . . ?
B2 C11 B3 B8 -102.7(2) . . . . ?
B1 C11 B3 B8 -66.3(3) . . . . ?
B4 C11 B3 B8 40.5(2) . . . . ?
B5 C11 B3 B8 4.3(3) . . . . ?
B1 C11 B3 B2 36.3(2) . . . . ?
B4 C11 B3 B2 143.1(2) . . . . ?
B5 C11 B3 B2 106.9(2) . . . . ?
B2 C11 B3 B4 -143.1(2) . . . . ?
B1 C11 B3 B4 -106.8(3) . . . . ?
B5 C11 B3 B4 -36.2(2) . . . . ?
B7 B2 B3 C11 -133.2(2) . . . . ?
B1 B2 B3 C11 -32.5(2) . . . . ?
B6 B2 B3 C11 -95.7(2) . . . . ?
C11 B2 B3 B7 133.2(2) . . . . ?
B1 B2 B3 B7 100.8(2) . . . . ?
B6 B2 B3 B7 37.5(2) . . . . ?
C11 B2 B3 B8 95.8(2) . . . . ?
B7 B2 B3 B8 -37.4(2) . . . . ?
B1 B2 B3 B8 63.3(3) . . . . ?
B6 B2 B3 B8 0.1(3) . . . . ?
C11 B2 B3 B4 32.6(2) . . . . ?
B7 B2 B3 B4 -100.6(2) . . . . ?
B1 B2 B3 B4 0.1(3) . . . . ?
B6 B2 B3 B4 -63.1(3) . . . . ?
B3 C11 B4 B9 -103.1(2) . . . . ?
B2 C11 B4 B9 -66.5(3) . . . . ?
B1 C11 B4 B9 4.4(3) . . . . ?
B5 C11 B4 B9 40.2(2) . . . . ?
B3 C11 B4 B8 -40.5(2) . . . . ?
B2 C11 B4 B8 -3.9(3) . . . . ?
B1 C11 B4 B8 66.9(3) . . . . ?
B5 C11 B4 B8 102.8(2) . . . . ?
B3 C11 B4 B5 -143.3(2) . . . . ?
B2 C11 B4 B5 -106.7(3) . . . . ?
B1 C11 B4 B5 -35.9(2) . . . . ?
B2 C11 B4 B3 36.6(2) . . . . ?
B1 C11 B4 B3 107.4(3) . . . . ?
B5 C11 B4 B3 143.3(2) . . . . ?
B7 B3 B4 C11 -95.6(2) . . . . ?
B8 B3 B4 C11 -133.2(2) . . . . ?
B2 B3 B4 C11 -32.5(2) . . . . ?
C11 B3 B4 B9 95.2(2) . . . . ?
B7 B3 B4 B9 -0.4(3) . . . . ?
B8 B3 B4 B9 -38.0(2) . . . . ?
B2 B3 B4 B9 62.7(3) . . . . ?
C11 B3 B4 B8 133.2(2) . . . . ?
B7 B3 B4 B8 37.6(2) . . . . ?
B2 B3 B4 B8 100.7(2) . . . . ?
C11 B3 B4 B5 32.3(2) . . . . ?
B7 B3 B4 B5 -63.3(3) . . . . ?
B8 B3 B4 B5 -100.9(2) . . . . ?
B2 B3 B4 B5 -0.2(3) . . . . ?
B3 C11 B5 B9 -4.1(3) . . . . ?
B2 C11 B5 B9 67.2(3) . . . . ?
B1 C11 B5 B9 103.0(2) . . . . ?
B4 C11 B5 B9 -40.4(2) . . . . ?
B3 C11 B5 B1 -107.1(3) . . . . ?
B2 C11 B5 B1 -35.8(2) . . . . ?
B4 C11 B5 B1 -143.4(2) . . . . ?
B3 C11 B5 B10 -66.6(3) . . . . ?
B2 C11 B5 B10 4.6(3) . . . . ?
B1 C11 B5 B10 40.4(2) . . . . ?
B4 C11 B5 B10 -103.0(2) . . . . ?
B3 C11 B5 B4 36.4(2) . . . . ?
B2 C11 B5 B4 107.6(3) . . . . ?
B1 C11 B5 B4 143.4(2) . . . . ?
B6 B1 B5 C11 95.9(2) . . . . ?
B2 B1 B5 C11 32.2(2) . . . . ?
B10 B1 B5 C11 133.5(2) . . . . ?
C11 B1 B5 B9 -95.6(2) . . . . ?
B6 B1 B5 B9 0.3(3) . . . . ?
B2 B1 B5 B9 -63.4(3) . . . . ?
B10 B1 B5 B9 37.9(2) . . . . ?
C11 B1 B5 B10 -133.5(2) . . . . ?
B6 B1 B5 B10 -37.6(2) . . . . ?
B2 B1 B5 B10 -101.3(2) . . . . ?
C11 B1 B5 B4 -32.3(2) . . . . ?
B6 B1 B5 B4 63.6(3) . . . . ?
B2 B1 B5 B4 -0.1(3) . . . . ?
B10 B1 B5 B4 101.2(2) . . . . ?
B9 B4 B5 C11 -133.3(2) . . . . ?
B8 B4 B5 C11 -95.4(2) . . . . ?
B3 B4 B5 C11 -32.1(2) . . . . ?
C11 B4 B5 B9 133.3(2) . . . . ?
B8 B4 B5 B9 37.9(2) . . . . ?
B3 B4 B5 B9 101.2(2) . . . . ?
C11 B4 B5 B1 32.3(2) . . . . ?
B9 B4 B5 B1 -101.1(2) . . . . ?
B8 B4 B5 B1 -63.1(3) . . . . ?
B3 B4 B5 B1 0.2(3) . . . . ?
C11 B4 B5 B10 95.8(2) . . . . ?
B9 B4 B5 B10 -37.5(2) . . . . ?
B8 B4 B5 B10 0.5(3) . . . . ?
B3 B4 B5 B10 63.7(3) . . . . ?
C11 B1 B6 B2 -39.8(2) . . . . ?
B5 B1 B6 B2 -101.2(2) . . . . ?
B10 B1 B6 B2 -138.7(2) . . . . ?
C11 B1 B6 B7 -2.5(3) . . . . ?
B5 B1 B6 B7 -63.9(3) . . . . ?
B2 B1 B6 B7 37.3(2) . . . . ?
B10 B1 B6 B7 -101.4(2) . . . . ?
C11 B1 B6 B10 98.9(2) . . . . ?
B5 B1 B6 B10 37.5(2) . . . . ?
B2 B1 B6 B10 138.7(2) . . . . ?
C11 B1 B6 B11 61.3(3) . . . . ?
B5 B1 B6 B11 -0.1(3) . . . . ?
B2 B1 B6 B11 101.2(2) . . . . ?
B10 B1 B6 B11 -37.6(2) . . . . ?
C11 B1 B6 Br1 -149.7(2) . . . . ?
B5 B1 B6 Br1 148.9(2) . . . . ?
B2 B1 B6 Br1 -109.9(2) . . . . ?
B10 B1 B6 Br1 111.4(2) . . . . ?
C11 B2 B6 B1 39.9(2) . . . . ?
B7 B2 B6 B1 138.0(2) . . . . ?
B3 B2 B6 B1 100.6(2) . . . . ?
C11 B2 B6 B7 -98.1(2) . . . . ?
B1 B2 B6 B7 -138.0(2) . . . . ?
B3 B2 B6 B7 -37.4(2) . . . . ?
C11 B2 B6 B10 2.9(3) . . . . ?
B7 B2 B6 B10 101.0(2) . . . . ?
B1 B2 B6 B10 -37.0(2) . . . . ?
B3 B2 B6 B10 63.6(3) . . . . ?
C11 B2 B6 B11 -60.9(3) . . . . ?
B7 B2 B6 B11 37.3(2) . . . . ?
B1 B2 B6 B11 -100.8(2) . . . . ?
B3 B2 B6 B11 -0.2(3) . . . . ?
C11 B2 B6 Br1 151.0(2) . . . . ?
B7 B2 B6 Br1 -110.9(2) . . . . ?
B1 B2 B6 Br1 111.1(2) . . . . ?
B3 B2 B6 Br1 -148.3(2) . . . . ?
C11 B2 B7 B3 -39.6(2) . . . . ?
B1 B2 B7 B3 -100.7(2) . . . . ?
B6 B2 B7 B3 -138.1(2) . . . . ?
C11 B2 B7 B6 98.4(2) . . . . ?
B1 B2 B7 B6 37.4(2) . . . . ?
B3 B2 B7 B6 138.1(2) . . . . ?
C11 B2 B7 B8 -2.2(3) . . . . ?
B1 B2 B7 B8 -63.2(3) . . . . ?
B6 B2 B7 B8 -100.6(2) . . . . ?
B3 B2 B7 B8 37.5(2) . . . . ?
C11 B2 B7 B11 61.2(3) . . . . ?
B1 B2 B7 B11 0.2(3) . . . . ?
B6 B2 B7 B11 -37.3(2) . . . . ?
B3 B2 B7 B11 100.8(2) . . . . ?
C11 B2 B7 Br2 -150.4(2) . . . . ?
B1 B2 B7 Br2 148.6(2) . . . . ?
B6 B2 B7 Br2 111.1(3) . . . . ?
B3 B2 B7 Br2 -110.8(3) . . . . ?
C11 B3 B7 B2 39.7(2) . . . . ?
B8 B3 B7 B2 138.2(2) . . . . ?
B4 B3 B7 B2 100.9(2) . . . . ?
C11 B3 B7 B6 2.1(3) . . . . ?
B8 B3 B7 B6 100.6(2) . . . . ?
B2 B3 B7 B6 -37.6(2) . . . . ?
B4 B3 B7 B6 63.3(3) . . . . ?
C11 B3 B7 B8 -98.5(2) . . . . ?
B2 B3 B7 B8 -138.2(2) . . . . ?
B4 B3 B7 B8 -37.3(2) . . . . ?
C11 B3 B7 B11 -61.7(3) . . . . ?
B8 B3 B7 B11 36.8(2) . . . . ?
B2 B3 B7 B11 -101.4(2) . . . . ?
B4 B3 B7 B11 -0.6(3) . . . . ?
C11 B3 B7 Br2 151.5(2) . . . . ?
B8 B3 B7 Br2 -110.1(2) . . . . ?
B2 B3 B7 Br2 111.7(3) . . . . ?
B4 B3 B7 Br2 -147.4(2) . . . . ?
B1 B6 B7 B2 -37.5(2) . . . . ?
B10 B6 B7 B2 -100.9(2) . . . . ?
B11 B6 B7 B2 -138.6(2) . . . . ?
Br1 B6 B7 B2 109.8(2) . . . . ?
B1 B6 B7 B3 0.2(3) . . . . ?
B2 B6 B7 B3 37.7(2) . . . . ?
B10 B6 B7 B3 -63.2(3) . . . . ?
B11 B6 B7 B3 -100.9(2) . . . . ?
Br1 B6 B7 B3 147.5(2) . . . . ?
B1 B6 B7 B8 63.8(3) . . . . ?
B2 B6 B7 B8 101.3(2) . . . . ?
B10 B6 B7 B8 0.4(3) . . . . ?
B11 B6 B7 B8 -37.3(2) . . . . ?
Br1 B6 B7 B8 -148.9(2) . . . . ?
B1 B6 B7 B11 101.1(2) . . . . ?
B2 B6 B7 B11 138.6(2) . . . . ?
B10 B6 B7 B11 37.7(2) . . . . ?
Br1 B6 B7 B11 -111.6(2) . . . . ?
B1 B6 B7 Br2 -149.0(2) . . . . ?
B2 B6 B7 Br2 -111.5(3) . . . . ?
B10 B6 B7 Br2 147.6(2) . . . . ?
B11 B6 B7 Br2 109.9(2) . . . . ?
Br1 B6 B7 Br2 -1.7(3) . . . . ?
C11 B4 B8 B3 39.5(2) . . . . ?
B9 B4 B8 B3 137.9(2) . . . . ?
B5 B4 B8 B3 100.4(2) . . . . ?
C11 B4 B8 B11 -61.8(3) . . . . ?
B9 B4 B8 B11 36.6(2) . . . . ?
B5 B4 B8 B11 -0.8(3) . . . . ?
B3 B4 B8 B11 -101.3(2) . . . . ?
C11 B4 B8 B7 2.2(3) . . . . ?
B9 B4 B8 B7 100.6(2) . . . . ?
B5 B4 B8 B7 63.1(3) . . . . ?
B3 B4 B8 B7 -37.3(2) . . . . ?
C11 B4 B8 B9 -98.4(2) . . . . ?
B5 B4 B8 B9 -37.5(2) . . . . ?
B3 B4 B8 B9 -137.9(2) . . . . ?
C11 B4 B8 Br3 150.0(2) . . . . ?
B9 B4 B8 Br3 -111.6(2) . . . . ?
B5 B4 B8 Br3 -149.1(2) . . . . ?
B3 B4 B8 Br3 110.5(3) . . . . ?
C11 B3 B8 B4 -39.9(2) . . . . ?
B7 B3 B8 B4 -138.1(2) . . . . ?
B2 B3 B8 B4 -100.9(2) . . . . ?
C11 B3 B8 B11 61.0(3) . . . . ?
B7 B3 B8 B11 -37.2(2) . . . . ?
B2 B3 B8 B11 0.1(3) . . . . ?
B4 B3 B8 B11 100.9(2) . . . . ?
C11 B3 B8 B7 98.1(2) . . . . ?
B2 B3 B8 B7 37.2(2) . . . . ?
B4 B3 B8 B7 138.1(2) . . . . ?
C11 B3 B8 B9 -2.6(3) . . . . ?
B7 B3 B8 B9 -100.8(2) . . . . ?
B2 B3 B8 B9 -63.6(3) . . . . ?
B4 B3 B8 B9 37.3(2) . . . . ?
C11 B3 B8 Br3 -150.6(2) . . . . ?
B7 B3 B8 Br3 111.3(2) . . . . ?
B2 B3 B8 Br3 148.5(2) . . . . ?
B4 B3 B8 Br3 -110.6(2) . . . . ?
B2 B7 B8 B4 0.0(3) . . . . ?
B3 B7 B8 B4 37.6(2) . . . . ?
B6 B7 B8 B4 -63.6(3) . . . . ?
B11 B7 B8 B4 -101.2(2) . . . . ?
Br2 B7 B8 B4 148.7(2) . . . . ?
B2 B7 B8 B3 -37.6(2) . . . . ?
B6 B7 B8 B3 -101.2(2) . . . . ?
B11 B7 B8 B3 -138.8(2) . . . . ?
Br2 B7 B8 B3 111.1(2) . . . . ?
B2 B7 B8 B11 101.2(2) . . . . ?
B3 B7 B8 B11 138.8(2) . . . . ?
B6 B7 B8 B11 37.6(2) . . . . ?
Br2 B7 B8 B11 -110.1(2) . . . . ?
B2 B7 B8 B9 62.8(3) . . . . ?
B3 B7 B8 B9 100.4(2) . . . . ?
B6 B7 B8 B9 -0.8(3) . . . . ?
B11 B7 B8 B9 -38.4(2) . . . . ?
Br2 B7 B8 B9 -148.5(2) . . . . ?
B2 B7 B8 Br3 -147.5(2) . . . . ?
B3 B7 B8 Br3 -109.9(3) . . . . ?
B6 B7 B8 Br3 148.9(2) . . . . ?
B11 B7 B8 Br3 111.3(3) . . . . ?
Br2 B7 B8 Br3 1.2(3) . . . . ?
C11 B5 B9 B4 39.8(2) . . . . ?
B1 B5 B9 B4 100.7(2) . . . . ?
B10 B5 B9 B4 138.4(2) . . . . ?
C11 B5 B9 B10 -98.6(2) . . . . ?
B1 B5 B9 B10 -37.7(2) . . . . ?
B4 B5 B9 B10 -138.4(2) . . . . ?
C11 B5 B9 B8 2.0(3) . . . . ?
B1 B5 B9 B8 62.9(3) . . . . ?
B10 B5 B9 B8 100.7(2) . . . . ?
B4 B5 B9 B8 -37.7(2) . . . . ?
C11 B5 B9 B11 -61.3(3) . . . . ?
B1 B5 B9 B11 -0.4(3) . . . . ?
B10 B5 B9 B11 37.4(2) . . . . ?
B4 B5 B9 B11 -101.0(2) . . . . ?
C11 B5 B9 Br4 149.90(19) . . . . ?
B1 B5 B9 Br4 -149.2(2) . . . . ?
B10 B5 B9 Br4 -111.5(2) . . . . ?
B4 B5 B9 Br4 110.1(2) . . . . ?
C11 B4 B9 B5 -39.7(2) . . . . ?
B8 B4 B9 B5 -137.8(2) . . . . ?
B3 B4 B9 B5 -100.1(2) . . . . ?
C11 B4 B9 B10 -2.3(3) . . . . ?
B8 B4 B9 B10 -100.4(2) . . . . ?
B5 B4 B9 B10 37.4(2) . . . . ?
B3 B4 B9 B10 -62.7(3) . . . . ?
C11 B4 B9 B8 98.1(2) . . . . ?
B5 B4 B9 B8 137.8(2) . . . . ?
B3 B4 B9 B8 37.7(2) . . . . ?
C11 B4 B9 B11 61.6(3) . . . . ?
B8 B4 B9 B11 -36.5(2) . . . . ?
B5 B4 B9 B11 101.3(2) . . . . ?
B3 B4 B9 B11 1.2(3) . . . . ?
C11 B4 B9 Br4 -150.5(2) . . . . ?
B8 B4 B9 Br4 111.4(2) . . . . ?
B5 B4 B9 Br4 -110.8(2) . . . . ?
B3 B4 B9 Br4 149.1(2) . . . . ?
B4 B8 B9 B5 38.1(2) . . . . ?
B3 B8 B9 B5 0.4(3) . . . . ?
B11 B8 B9 B5 -101.1(2) . . . . ?
B7 B8 B9 B5 -62.6(3) . . . . ?
Br3 B8 B9 B5 147.8(2) . . . . ?
B3 B8 B9 B4 -37.7(2) . . . . ?
B11 B8 B9 B4 -139.2(2) . . . . ?
B7 B8 B9 B4 -100.7(2) . . . . ?
Br3 B8 B9 B4 109.8(2) . . . . ?
B4 B8 B9 B10 101.7(2) . . . . ?
B3 B8 B9 B10 64.0(3) . . . . ?
B11 B8 B9 B10 -37.5(2) . . . . ?
B7 B8 B9 B10 1.0(3) . . . . ?
Br3 B8 B9 B10 -148.6(2) . . . . ?
B4 B8 B9 B11 139.2(2) . . . . ?
B3 B8 B9 B11 101.5(2) . . . . ?
B7 B8 B9 B11 38.5(2) . . . . ?
Br3 B8 B9 B11 -111.0(2) . . . . ?
B4 B8 B9 Br4 -109.5(2) . . . . ?
B3 B8 B9 Br4 -147.2(2) . . . . ?
B11 B8 B9 Br4 111.3(2) . . . . ?
B7 B8 B9 Br4 149.8(2) . . . . ?
Br3 B8 B9 Br4 0.3(3) . . . . ?
C11 B5 B10 B1 -39.6(2) . . . . ?
B9 B5 B10 B1 -137.9(2) . . . . ?
B4 B5 B10 B1 -100.7(2) . . . . ?
C11 B5 B10 B9 98.3(2) . . . . ?
B1 B5 B10 B9 137.9(2) . . . . ?
B4 B5 B10 B9 37.2(2) . . . . ?
C11 B5 B10 B6 -2.4(3) . . . . ?
B9 B5 B10 B6 -100.6(2) . . . . ?
B1 B5 B10 B6 37.2(2) . . . . ?
B4 B5 B10 B6 -63.4(3) . . . . ?
C11 B5 B10 B11 61.2(3) . . . . ?
B9 B5 B10 B11 -37.1(2) . . . . ?
B1 B5 B10 B11 100.8(2) . . . . ?
B4 B5 B10 B11 0.1(3) . . . . ?
C11 B5 B10 Br5 -150.96(19) . . . . ?
B9 B5 B10 Br5 110.8(2) . . . . ?
B1 B5 B10 Br5 -111.4(2) . . . . ?
B4 B5 B10 Br5 148.0(2) . . . . ?
C11 B1 B10 B5 39.9(2) . . . . ?
B6 B1 B10 B5 138.1(2) . . . . ?
B2 B1 B10 B5 101.0(2) . . . . ?
C11 B1 B10 B9 2.7(3) . . . . ?
B6 B1 B10 B9 100.9(2) . . . . ?
B5 B1 B10 B9 -37.2(2) . . . . ?
B2 B1 B10 B9 63.8(3) . . . . ?
C11 B1 B10 B6 -98.2(2) . . . . ?
B5 B1 B10 B6 -138.1(2) . . . . ?
B2 B1 B10 B6 -37.1(2) . . . . ?
C11 B1 B10 B11 -60.7(3) . . . . ?
B6 B1 B10 B11 37.5(2) . . . . ?
B5 B1 B10 B11 -100.6(2) . . . . ?
B2 B1 B10 B11 0.4(3) . . . . ?
C11 B1 B10 Br5 149.9(2) . . . . ?
B6 B1 B10 Br5 -111.8(2) . . . . ?
B5 B1 B10 Br5 110.1(2) . . . . ?
B2 B1 B10 Br5 -149.0(2) . . . . ?
B4 B9 B10 B5 -37.7(2) . . . . ?
B8 B9 B10 B5 -101.2(2) . . . . ?
B11 B9 B10 B5 -138.5(2) . . . . ?
Br4 B9 B10 B5 110.0(2) . . . . ?
B5 B9 B10 B1 37.4(2) . . . . ?
B4 B9 B10 B1 -0.2(3) . . . . ?
B8 B9 B10 B1 -63.7(3) . . . . ?
B11 B9 B10 B1 -101.0(2) . . . . ?
Br4 B9 B10 B1 147.5(2) . . . . ?
B5 B9 B10 B6 100.4(2) . . . . ?
B4 B9 B10 B6 62.7(3) . . . . ?
B8 B9 B10 B6 -0.8(3) . . . . ?
B11 B9 B10 B6 -38.1(2) . . . . ?
Br4 B9 B10 B6 -149.6(2) . . . . ?
B5 B9 B10 B11 138.5(2) . . . . ?
B4 B9 B10 B11 100.8(2) . . . . ?
B8 B9 B10 B11 37.3(2) . . . . ?
Br4 B9 B10 B11 -111.5(2) . . . . ?
B5 B9 B10 Br5 -109.9(2) . . . . ?
B4 B9 B10 Br5 -147.6(2) . . . . ?
B8 B9 B10 Br5 148.9(2) . . . . ?
B11 B9 B10 Br5 111.6(2) . . . . ?
Br4 B9 B10 Br5 0.1(3) . . . . ?
B1 B6 B10 B5 -37.4(2) . . . . ?
B2 B6 B10 B5 -0.3(3) . . . . ?
B7 B6 B10 B5 63.0(3) . . . . ?
B11 B6 B10 B5 100.7(2) . . . . ?
Br1 B6 B10 B5 -148.0(2) . . . . ?
B2 B6 B10 B1 37.0(2) . . . . ?
B7 B6 B10 B1 100.3(2) . . . . ?
B11 B6 B10 B1 138.1(2) . . . . ?
Br1 B6 B10 B1 -110.6(2) . . . . ?
B1 B6 B10 B9 -100.1(2) . . . . ?
B2 B6 B10 B9 -63.0(3) . . . . ?
B7 B6 B10 B9 0.3(3) . . . . ?
B11 B6 B10 B9 38.0(2) . . . . ?
Br1 B6 B10 B9 149.3(2) . . . . ?
B1 B6 B10 B11 -138.1(2) . . . . ?
B2 B6 B10 B11 -101.1(2) . . . . ?
B7 B6 B10 B11 -37.8(2) . . . . ?
Br1 B6 B10 B11 111.3(2) . . . . ?
B1 B6 B10 Br5 110.7(2) . . . . ?
B2 B6 B10 Br5 147.7(2) . . . . ?
B7 B6 B10 Br5 -149.0(2) . . . . ?
B11 B6 B10 Br5 -111.2(2) . . . . ?
Br1 B6 B10 Br5 0.1(3) . . . . ?
B4 B8 B11 B9 -36.3(2) . . . . ?
B3 B8 B11 B9 -100.2(2) . . . . ?
B7 B8 B11 B9 -137.1(2) . . . . ?
Br3 B8 B11 B9 111.6(2) . . . . ?
B4 B8 B11 B6 63.7(3) . . . . ?
B3 B8 B11 B6 -0.2(3) . . . . ?
B7 B8 B11 B6 -37.0(2) . . . . ?
B9 B8 B11 B6 100.1(2) . . . . ?
Br3 B8 B11 B6 -148.3(2) . . . . ?
B4 B8 B11 B10 0.9(3) . . . . ?
B3 B8 B11 B10 -63.0(3) . . . . ?
B7 B8 B11 B10 -99.8(2) . . . . ?
B9 B8 B11 B10 37.2(2) . . . . ?
Br3 B8 B11 B10 148.9(2) . . . . ?
B4 B8 B11 B7 100.7(2) . . . . ?
B3 B8 B11 B7 36.8(2) . . . . ?
B9 B8 B11 B7 137.1(2) . . . . ?
Br3 B8 B11 B7 -111.3(2) . . . . ?
B4 B8 B11 Br6 -147.8(2) . . . . ?
B3 B8 B11 Br6 148.3(2) . . . . ?
B7 B8 B11 Br6 111.4(2) . . . . ?
B9 B8 B11 Br6 -111.5(2) . . . . ?
Br3 B8 B11 Br6 0.1(3) . . . . ?
B5 B9 B11 B8 100.8(2) . . . . ?
B4 B9 B11 B8 36.6(2) . . . . ?
B10 B9 B11 B8 138.1(2) . . . . ?
Br4 B9 B11 B8 -110.8(2) . . . . ?
B5 B9 B11 B6 0.3(3) . . . . ?
B4 B9 B11 B6 -64.0(3) . . . . ?
B10 B9 B11 B6 37.6(2) . . . . ?
B8 B9 B11 B6 -100.5(2) . . . . ?
Br4 B9 B11 B6 148.7(2) . . . . ?
B5 B9 B11 B10 -37.3(2) . . . . ?
B4 B9 B11 B10 -101.6(2) . . . . ?
B8 B9 B11 B10 -138.1(2) . . . . ?
Br4 B9 B11 B10 111.1(2) . . . . ?
B5 B9 B11 B7 62.7(3) . . . . ?
B4 B9 B11 B7 -1.5(3) . . . . ?
B10 B9 B11 B7 100.0(2) . . . . ?
B8 B9 B11 B7 -38.1(2) . . . . ?
Br4 B9 B11 B7 -148.9(2) . . . . ?
B5 B9 B11 Br6 -148.9(2) . . . . ?
B4 B9 B11 Br6 146.8(2) . . . . ?
B10 B9 B11 Br6 -111.6(2) . . . . ?
B8 B9 B11 Br6 110.3(2) . . . . ?
Br4 B9 B11 Br6 -0.5(3) . . . . ?
B1 B6 B11 B8 -63.4(3) . . . . ?
B2 B6 B11 B8 0.2(3) . . . . ?
B7 B6 B11 B8 37.2(2) . . . . ?
B10 B6 B11 B8 -100.8(2) . . . . ?
Br1 B6 B11 B8 147.9(2) . . . . ?
B1 B6 B11 B9 -0.2(3) . . . . ?
B2 B6 B11 B9 63.4(3) . . . . ?
B7 B6 B11 B9 100.4(2) . . . . ?
B10 B6 B11 B9 -37.6(2) . . . . ?
Br1 B6 B11 B9 -148.9(2) . . . . ?
B1 B6 B11 B10 37.5(2) . . . . ?
B2 B6 B11 B10 101.1(2) . . . . ?
B7 B6 B11 B10 138.0(2) . . . . ?
Br1 B6 B11 B10 -111.3(2) . . . . ?
B1 B6 B11 B7 -100.6(2) . . . . ?
B2 B6 B11 B7 -37.0(2) . . . . ?
B10 B6 B11 B7 -138.0(2) . . . . ?
Br1 B6 B11 B7 110.7(3) . . . . ?
B1 B6 B11 Br6 148.8(2) . . . . ?
B2 B6 B11 Br6 -147.6(2) . . . . ?
B7 B6 B11 Br6 -110.7(2) . . . . ?
B10 B6 B11 Br6 111.3(2) . . . . ?
Br1 B6 B11 Br6 0.0(3) . . . . ?
B5 B10 B11 B8 -0.6(3) . . . . ?
B1 B10 B11 B8 62.7(3) . . . . ?
B9 B10 B11 B8 -37.4(2) . . . . ?
B6 B10 B11 B8 100.0(2) . . . . ?
Br5 B10 B11 B8 -148.0(2) . . . . ?
B5 B10 B11 B9 36.8(2) . . . . ?
B1 B10 B11 B9 100.1(2) . . . . ?
B6 B10 B11 B9 137.4(2) . . . . ?
Br5 B10 B11 B9 -110.6(2) . . . . ?
B5 B10 B11 B6 -100.6(2) . . . . ?
B1 B10 B11 B6 -37.3(2) . . . . ?
B9 B10 B11 B6 -137.4(2) . . . . ?
Br5 B10 B11 B6 112.0(2) . . . . ?
B5 B10 B11 B7 -63.6(3) . . . . ?
B1 B10 B11 B7 -0.3(3) . . . . ?
B9 B10 B11 B7 -100.4(2) . . . . ?
B6 B10 B11 B7 37.0(2) . . . . ?
Br5 B10 B11 B7 149.0(2) . . . . ?
B5 B10 B11 Br6 147.7(2) . . . . ?
B1 B10 B11 Br6 -149.0(2) . . . . ?
B9 B10 B11 Br6 110.8(2) . . . . ?
B6 B10 B11 Br6 -111.7(2) . . . . ?
Br5 B10 B11 Br6 0.2(3) . . . . ?
B2 B7 B11 B8 -100.9(2) . . . . ?
B3 B7 B11 B8 -36.9(2) . . . . ?
B6 B7 B11 B8 -138.1(2) . . . . ?
Br2 B7 B11 B8 110.2(2) . . . . ?
B2 B7 B11 B9 -62.7(3) . . . . ?
B3 B7 B11 B9 1.3(3) . . . . ?
B6 B7 B11 B9 -99.9(2) . . . . ?
B8 B7 B11 B9 38.2(2) . . . . ?
Br2 B7 B11 B9 148.4(2) . . . . ?
B2 B7 B11 B6 37.2(2) . . . . ?
B3 B7 B11 B6 101.2(2) . . . . ?
B8 B7 B11 B6 138.1(2) . . . . ?
Br2 B7 B11 B6 -111.7(2) . . . . ?
B2 B7 B11 B10 0.1(3) . . . . ?
B3 B7 B11 B10 64.0(3) . . . . ?
B6 B7 B11 B10 -37.1(2) . . . . ?
B8 B7 B11 B10 101.0(2) . . . . ?
Br2 B7 B11 B10 -148.8(2) . . . . ?
B2 B7 B11 Br6 149.0(2) . . . . ?
B3 B7 B11 Br6 -147.0(2) . . . . ?
B6 B7 B11 Br6 111.8(2) . . . . ?
B8 B7 B11 Br6 -110.1(2) . . . . ?
Br2 B7 B11 Br6 0.1(3) . . . . ?

_refine_diff_density_max         1.553
_refine_diff_density_min         -1.488
_refine_diff_density_rms         0.145



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RS138_0m
_database_code_depnum_ccdc_archive 'CCDC 2011367'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C H6 B11 Br6, C10 H12 Se4'
_chemical_formula_sum            'C11 H18 B11 Br6 Se4'
_chemical_formula_weight         1064.46

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'
Br Br -0.2901 2.4595 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   8.8819(5)
_cell_length_b                   21.3136(10)
_cell_length_c                   15.0603(8)
_cell_angle_alpha                90
_cell_angle_beta                 92.345(2)
_cell_angle_gamma                90
_cell_volume                     2848.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9938
_cell_measurement_theta_min      2.7857
_cell_measurement_theta_max      33.0871

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.482
_exptl_crystal_F_000             1940
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    13.572
_shelx_estimated_absorpt_T_min   0.098
_shelx_estimated_absorpt_T_max   0.271
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3765
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            90334
_diffrn_reflns_av_unetI/netI     0.0400
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.295
_diffrn_reflns_theta_max         33.260
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10935
_reflns_number_gt                8422
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 v2018.1-0 (Bruker, 2018)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev988 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0441P)²+0.9735P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00055(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10935
_refine_ls_number_parameters     294
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_ref         0.0851
_refine_ls_wR_factor_gt          0.0780
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

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
Br1 Br 0.00074(3) 0.32763(2) 0.87309(2) 0.01503(6) Uani 1 1 d . . . . .
Br2 Br -0.06617(4) 0.43850(2) 1.06702(2) 0.02159(7) Uani 1 1 d . . . . .
Br3 Br -0.29962(3) 0.28976(2) 1.03892(2) 0.02085(7) Uani 1 1 d . . . . .
Br4 Br -0.03834(4) 0.15809(2) 0.95682(2) 0.02245(7) Uani 1 1 d . . . . .
Br5 Br 0.34927(3) 0.22913(2) 0.93128(2) 0.01701(6) Uani 1 1 d . . . . .
Br6 Br 0.33780(3) 0.40281(2) 1.00081(2) 0.01693(6) Uani 1 1 d . . . . .
Se1 Se -0.24915(3) 0.00681(2) 1.15562(2) 0.01785(7) Uani 1 1 d . . . . .
Se2 Se -0.43422(3) 0.12697(2) 1.10406(2) 0.01658(6) Uani 1 1 d . . . . .
Se3 Se -0.22958(3) -0.02863(2) 0.93426(2) 0.01786(6) Uani 1 1 d . . . . .
Se4 Se -0.42618(3) 0.09001(2) 0.88792(2) 0.01571(6) Uani 1 1 d . . . . .
C1 C -0.3369(3) 0.05559(13) 1.06503(18) 0.0141(5) Uani 1 1 d . . . . .
C2 C -0.3092(3) 0.06001(13) 1.24736(19) 0.0166(5) Uani 1 1 d . . . . .
C3 C -0.2631(4) 0.04006(16) 1.3404(2) 0.0257(7) Uani 1 1 d . . . . .
H3A H -0.324884 0.004351 1.357730 0.039 Uiso 1 1 calc R U . . .
H3B H -0.277677 0.075051 1.381371 0.039 Uiso 1 1 calc R U . . .
H3C H -0.156664 0.027787 1.342669 0.039 Uiso 1 1 calc R U . . .
C4 C -0.3868(3) 0.11214(14) 1.22477(18) 0.0182(5) Uani 1 1 d . . . . .
C5 C -0.4381(4) 0.16172(16) 1.2877(2) 0.0267(7) Uani 1 1 d . . . . .
H5A H -0.358645 0.193291 1.296530 0.040 Uiso 1 1 calc R U . . .
H5B H -0.459427 0.142402 1.344872 0.040 Uiso 1 1 calc R U . . .
H5C H -0.529584 0.181802 1.262723 0.040 Uiso 1 1 calc R U . . .
C6 C -0.3334(3) 0.04067(13) 0.97581(18) 0.0143(5) Uani 1 1 d . . . . .
C7 C -0.2687(3) -0.00843(14) 0.81301(19) 0.0171(5) Uani 1 1 d . . . . .
C8 C -0.2004(4) -0.05207(16) 0.7477(2) 0.0258(7) Uani 1 1 d . . . . .
H8A H -0.252027 -0.092684 0.748933 0.039 Uiso 1 1 calc R U . . .
H8B H -0.093255 -0.057918 0.763609 0.039 Uiso 1 1 calc R U . . .
H8C H -0.211373 -0.034126 0.687867 0.039 Uiso 1 1 calc R U . . .
C9 C -0.3535(3) 0.04205(13) 0.79330(18) 0.0155(5) Uani 1 1 d . . . . .
C10 C -0.4032(4) 0.06552(17) 0.7028(2) 0.0244(6) Uani 1 1 d . . . . .
H10A H -0.389483 0.032344 0.658850 0.037 Uiso 1 1 calc R U . . .
H10B H -0.342767 0.102168 0.687714 0.037 Uiso 1 1 calc R U . . .
H10C H -0.509815 0.077360 0.702905 0.037 Uiso 1 1 calc R U . . .
C11 C 0.1429(3) 0.26624(14) 1.19755(18) 0.0166(5) Uani 1 1 d . . . . .
H11 H 0.173580 0.252847 1.267890 0.020 Uiso 1 1 calc R U . . .
B1 B 0.0549(3) 0.30474(13) 0.99517(18) 0.0097(5) Uani 1 1 d . . . . .
B2 B 0.0229(3) 0.35650(15) 1.0860(2) 0.0128(5) Uani 1 1 d . . . . .
B3 B -0.0866(3) 0.28616(15) 1.0723(2) 0.0134(5) Uani 1 1 d . . . . .
B4 B 0.0351(3) 0.22607(15) 1.0341(2) 0.0129(5) Uani 1 1 d . . . . .
B5 B 0.2177(3) 0.25895(14) 1.0226(2) 0.0124(5) Uani 1 1 d . . . . .
B6 B 0.2114(3) 0.33991(14) 1.05505(19) 0.0116(5) Uani 1 1 d . . . . .
B7 B -0.0167(4) 0.30979(16) 1.1795(2) 0.0160(6) Uani 1 1 d . . . . .
H7 H -0.093000 0.326099 1.232242 0.019 Uiso 1 1 calc R U . . .
B8 B -0.0094(4) 0.22950(16) 1.1476(2) 0.0165(6) Uani 1 1 d . . . . .
H8 H -0.080741 0.193162 1.179293 0.020 Uiso 1 1 calc R U . . .
B9 B 0.1784(4) 0.21336(15) 1.1173(2) 0.0161(6) Uani 1 1 d . . . . .
H9 H 0.230401 0.166110 1.129400 0.019 Uiso 1 1 calc R U . . .
B10 B 0.2872(3) 0.28278(15) 1.13008(19) 0.0146(6) Uani 1 1 d . . . . .
H10 H 0.409944 0.281246 1.150253 0.018 Uiso 1 1 calc R U . . .
B11 B 0.1670(4) 0.34271(16) 1.1686(2) 0.0154(6) Uani 1 1 d . . . . .
H11A H 0.210941 0.380610 1.214146 0.018 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Br1 B1 1.944(3) . ?
Br2 B2 1.935(3) . ?
Br3 B3 1.939(3) . ?
Br4 B4 1.954(3) . ?
Br5 B5 1.948(3) . ?
Br6 B6 1.949(3) . ?
Se1 C1 1.861(3) . ?
Se1 C2 1.881(3) . ?
Se2 C1 1.857(3) . ?
Se2 C4 1.876(3) . ?
Se3 C6 1.863(3) . ?
Se3 C7 1.895(3) . ?
Se4 C6 1.857(3) . ?
Se4 C9 1.889(3) . ?
C1 C6 1.382(4) . ?
C2 C4 1.344(4) . ?
C2 C3 1.505(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.503(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C7 C9 1.340(4) . ?
C7 C8 1.500(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.500(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 B9 1.691(5) . ?
C11 B11 1.703(4) . ?
C11 B10 1.705(4) . ?
C11 B7 1.707(4) . ?
C11 B8 1.710(4) . ?
C11 H11 1.1200 . ?
B1 B5 1.779(4) . ?
B1 B4 1.787(4) . ?
B1 B2 1.790(4) . ?
B1 B6 1.790(4) . ?
B1 B3 1.790(4) . ?
B2 B11 1.771(4) . ?
B2 B7 1.772(4) . ?
B2 B6 1.791(4) . ?
B2 B3 1.795(4) . ?
B3 B8 1.776(4) . ?
B3 B7 1.780(4) . ?
B3 B4 1.786(4) . ?
B4 B9 1.770(4) . ?
B4 B8 1.772(4) . ?
B4 B5 1.782(4) . ?
B5 B9 1.772(4) . ?
B5 B10 1.782(4) . ?
B5 B6 1.795(4) . ?
B6 B11 1.771(4) . ?
B6 B10 1.775(4) . ?
B7 B8 1.780(5) . ?
B7 B11 1.789(4) . ?
B7 H7 1.1200 . ?
B8 B9 1.780(5) . ?
B8 H8 1.1200 . ?
B9 B10 1.774(5) . ?
B9 H9 1.1200 . ?
B10 B11 1.777(5) . ?
B10 H10 1.1200 . ?
B11 H11A 1.1200 . ?

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
C1 Se1 C2 94.53(12) . . ?
C1 Se2 C4 94.57(12) . . ?
C6 Se3 C7 93.99(12) . . ?
C6 Se4 C9 94.36(12) . . ?
C6 C1 Se2 121.7(2) . . ?
C6 C1 Se1 124.0(2) . . ?
Se2 C1 Se1 114.33(14) . . ?
C4 C2 C3 125.9(3) . . ?
C4 C2 Se1 118.1(2) . . ?
C3 C2 Se1 116.0(2) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 C5 126.0(3) . . ?
C2 C4 Se2 118.5(2) . . ?
C5 C4 Se2 115.5(2) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 C6 Se4 122.4(2) . . ?
C1 C6 Se3 122.7(2) . . ?
Se4 C6 Se3 114.90(14) . . ?
C9 C7 C8 126.3(3) . . ?
C9 C7 Se3 118.4(2) . . ?
C8 C7 Se3 115.3(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 C10 127.6(3) . . ?
C7 C9 Se4 118.3(2) . . ?
C10 C9 Se4 114.1(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
B9 C11 B11 115.2(2) . . ?
B9 C11 B10 62.96(19) . . ?
B11 C11 B10 62.87(18) . . ?
B9 C11 B7 115.2(2) . . ?
B11 C11 B7 63.31(19) . . ?
B10 C11 B7 115.6(2) . . ?
B9 C11 B8 63.10(19) . . ?
B11 C11 B8 115.5(2) . . ?
B10 C11 B8 115.6(2) . . ?
B7 C11 B8 62.78(19) . . ?
B9 C11 H11 117.4 . . ?
B11 C11 H11 117.3 . . ?
B10 C11 H11 117.2 . . ?
B7 C11 H11 117.2 . . ?
B8 C11 H11 117.2 . . ?
B5 B1 B4 59.96(17) . . ?
B5 B1 B2 108.3(2) . . ?
B4 B1 B2 107.86(19) . . ?
B5 B1 B6 60.38(17) . . ?
B4 B1 B6 108.2(2) . . ?
B2 B1 B6 60.06(16) . . ?
B5 B1 B3 108.3(2) . . ?
B4 B1 B3 59.90(17) . . ?
B2 B1 B3 60.18(16) . . ?
B6 B1 B3 108.51(19) . . ?
B5 B1 Br1 121.68(18) . . ?
B4 B1 Br1 121.44(18) . . ?
B2 B1 Br1 121.85(18) . . ?
B6 B1 Br1 121.91(18) . . ?
B3 B1 Br1 121.03(18) . . ?
B11 B2 B7 60.67(17) . . ?
B11 B2 B1 107.6(2) . . ?
B7 B2 B1 107.7(2) . . ?
B11 B2 B6 59.62(17) . . ?
B7 B2 B6 108.3(2) . . ?
B1 B2 B6 59.99(16) . . ?
B11 B2 B3 108.4(2) . . ?
B7 B2 B3 59.88(17) . . ?
B1 B2 B3 59.93(17) . . ?
B6 B2 B3 108.3(2) . . ?
B11 B2 Br2 122.2(2) . . ?
B7 B2 Br2 122.1(2) . . ?
B1 B2 Br2 121.36(18) . . ?
B6 B2 Br2 121.37(19) . . ?
B3 B2 Br2 121.4(2) . . ?
B8 B3 B7 60.06(18) . . ?
B8 B3 B4 59.66(18) . . ?
B7 B3 B4 107.6(2) . . ?
B8 B3 B1 107.5(2) . . ?
B7 B3 B1 107.3(2) . . ?
B4 B3 B1 59.96(16) . . ?
B8 B3 B2 107.5(2) . . ?
B7 B3 B2 59.41(17) . . ?
B4 B3 B2 107.7(2) . . ?
B1 B3 B2 59.88(16) . . ?
B8 B3 Br3 122.7(2) . . ?
B7 B3 Br3 121.64(19) . . ?
B4 B3 Br3 122.82(19) . . ?
B1 B3 Br3 121.82(19) . . ?
B2 B3 Br3 121.0(2) . . ?
B9 B4 B8 60.34(18) . . ?
B9 B4 B5 59.84(17) . . ?
B8 B4 B5 108.5(2) . . ?
B9 B4 B3 108.0(2) . . ?
B8 B4 B3 59.88(18) . . ?
B5 B4 B3 108.3(2) . . ?
B9 B4 B1 107.3(2) . . ?
B8 B4 B1 107.9(2) . . ?
B5 B4 B1 59.79(16) . . ?
B3 B4 B1 60.14(17) . . ?
B9 B4 Br4 121.4(2) . . ?
B8 B4 Br4 121.54(19) . . ?
B5 B4 Br4 121.1(2) . . ?
B3 B4 Br4 122.13(19) . . ?
B1 B4 Br4 122.39(18) . . ?
B9 B5 B1 107.6(2) . . ?
B9 B5 B4 59.75(17) . . ?
B1 B5 B4 60.25(17) . . ?
B9 B5 B10 59.87(17) . . ?
B1 B5 B10 107.6(2) . . ?
B4 B5 B10 107.9(2) . . ?
B9 B5 B6 107.4(2) . . ?
B1 B5 B6 60.12(17) . . ?
B4 B5 B6 108.2(2) . . ?
B10 B5 B6 59.50(17) . . ?
B9 B5 Br5 122.2(2) . . ?
B1 B5 Br5 121.34(18) . . ?
B4 B5 Br5 120.98(19) . . ?
B10 B5 Br5 122.61(19) . . ?
B6 B5 Br5 122.15(19) . . ?
B11 B6 B10 60.15(18) . . ?
B11 B6 B1 107.5(2) . . ?
B10 B6 B1 107.4(2) . . ?
B11 B6 B2 59.62(17) . . ?
B10 B6 B2 107.7(2) . . ?
B1 B6 B2 59.95(16) . . ?
B11 B6 B5 107.8(2) . . ?
B10 B6 B5 59.89(17) . . ?
B1 B6 B5 59.50(16) . . ?
B2 B6 B5 107.5(2) . . ?
B11 B6 Br6 122.43(19) . . ?
B10 B6 Br6 121.92(19) . . ?
B1 B6 Br6 121.70(18) . . ?
B2 B6 Br6 122.26(19) . . ?
B5 B6 Br6 121.49(18) . . ?
C11 B7 B2 104.0(2) . . ?
C11 B7 B8 58.71(18) . . ?
B2 B7 B8 108.4(2) . . ?
C11 B7 B3 104.3(2) . . ?
B2 B7 B3 60.71(17) . . ?
B8 B7 B3 59.85(18) . . ?
C11 B7 B11 58.25(18) . . ?
B2 B7 B11 59.66(17) . . ?
B8 B7 B11 108.0(2) . . ?
B3 B7 B11 108.2(2) . . ?
C11 B7 H7 125.4 . . ?
B2 B7 H7 122.3 . . ?
B8 B7 H7 121.3 . . ?
B3 B7 H7 122.2 . . ?
B11 B7 H7 121.6 . . ?
C11 B8 B4 103.9(2) . . ?
C11 B8 B3 104.3(2) . . ?
B4 B8 B3 60.46(17) . . ?
C11 B8 B7 58.51(18) . . ?
B4 B8 B7 108.2(2) . . ?
B3 B8 B7 60.09(18) . . ?
C11 B8 B9 57.94(18) . . ?
B4 B8 B9 59.79(18) . . ?
B3 B8 B9 108.0(2) . . ?
B7 B8 B9 107.5(2) . . ?
C11 B8 H8 125.5 . . ?
B4 B8 H8 122.4 . . ?
B3 B8 H8 122.1 . . ?
B7 B8 H8 121.5 . . ?
B9 B8 H8 121.9 . . ?
C11 B9 B4 104.7(2) . . ?
C11 B9 B5 105.0(2) . . ?
B4 B9 B5 60.41(17) . . ?
C11 B9 B10 58.89(18) . . ?
B4 B9 B10 108.8(2) . . ?
B5 B9 B10 60.35(17) . . ?
C11 B9 B8 58.96(18) . . ?
B4 B9 B8 59.88(18) . . ?
B5 B9 B8 108.5(2) . . ?
B10 B9 B8 108.9(2) . . ?
C11 B9 H9 124.8 . . ?
B4 B9 H9 122.2 . . ?
B5 B9 H9 122.0 . . ?
B10 B9 H9 120.9 . . ?
B8 B9 H9 121.1 . . ?
C11 B10 B9 58.15(18) . . ?
C11 B10 B6 104.3(2) . . ?
B9 B10 B6 108.2(2) . . ?
C11 B10 B11 58.51(18) . . ?
B9 B10 B11 107.6(2) . . ?
B6 B10 B11 59.82(17) . . ?
C11 B10 B5 104.0(2) . . ?
B9 B10 B5 59.78(17) . . ?
B6 B10 B5 60.61(16) . . ?
B11 B10 B5 108.1(2) . . ?
C11 B10 H10 125.4 . . ?
B9 B10 H10 121.7 . . ?
B6 B10 H10 122.2 . . ?
B11 B10 H10 121.6 . . ?
B5 B10 H10 122.3 . . ?
C11 B11 B6 104.5(2) . . ?
C11 B11 B2 104.1(2) . . ?
B6 B11 B2 60.75(17) . . ?
C11 B11 B10 58.62(18) . . ?
B6 B11 B10 60.03(17) . . ?
B2 B11 B10 108.5(2) . . ?
C11 B11 B7 58.44(18) . . ?
B6 B11 B7 108.4(2) . . ?
B2 B11 B7 59.67(17) . . ?
B10 B11 B7 108.1(2) . . ?
C11 B11 H11A 125.3 . . ?
B6 B11 H11A 122.0 . . ?
B2 B11 H11A 122.3 . . ?
B10 B11 H11A 121.3 . . ?
B7 B11 H11A 121.5 . . ?

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
C4 Se2 C1 C6 -179.9(2) . . . . ?
C4 Se2 C1 Se1 0.92(17) . . . . ?
C2 Se1 C1 C6 -179.4(3) . . . . ?
C2 Se1 C1 Se2 -0.27(16) . . . . ?
C1 Se1 C2 C4 -0.9(3) . . . . ?
C1 Se1 C2 C3 179.9(2) . . . . ?
C3 C2 C4 C5 2.2(5) . . . . ?
Se1 C2 C4 C5 -177.0(3) . . . . ?
C3 C2 C4 Se2 -179.2(2) . . . . ?
Se1 C2 C4 Se2 1.7(3) . . . . ?
C1 Se2 C4 C2 -1.6(3) . . . . ?
C1 Se2 C4 C5 177.2(2) . . . . ?
Se2 C1 C6 Se4 -0.4(4) . . . . ?
Se1 C1 C6 Se4 178.67(14) . . . . ?
Se2 C1 C6 Se3 177.22(14) . . . . ?
Se1 C1 C6 Se3 -3.7(4) . . . . ?
C9 Se4 C6 C1 175.3(3) . . . . ?
C9 Se4 C6 Se3 -2.56(17) . . . . ?
C7 Se3 C6 C1 -175.0(3) . . . . ?
C7 Se3 C6 Se4 2.81(17) . . . . ?
C6 Se3 C7 C9 -2.1(3) . . . . ?
C6 Se3 C7 C8 178.3(2) . . . . ?
C8 C7 C9 C10 1.9(5) . . . . ?
Se3 C7 C9 C10 -177.7(2) . . . . ?
C8 C7 C9 Se4 -179.7(3) . . . . ?
Se3 C7 C9 Se4 0.7(3) . . . . ?
C6 Se4 C9 C7 1.1(3) . . . . ?
C6 Se4 C9 C10 179.8(2) . . . . ?
B5 B1 B2 B11 0.4(3) . . . . ?
B4 B1 B2 B11 63.8(3) . . . . ?
B6 B1 B2 B11 -37.3(2) . . . . ?
B3 B1 B2 B11 101.5(2) . . . . ?
Br1 B1 B2 B11 -148.44(19) . . . . ?
B5 B1 B2 B7 -63.6(3) . . . . ?
B4 B1 B2 B7 -0.2(3) . . . . ?
B6 B1 B2 B7 -101.3(2) . . . . ?
B3 B1 B2 B7 37.5(2) . . . . ?
Br1 B1 B2 B7 147.55(19) . . . . ?
B5 B1 B2 B6 37.75(19) . . . . ?
B4 B1 B2 B6 101.2(2) . . . . ?
B3 B1 B2 B6 138.8(2) . . . . ?
Br1 B1 B2 B6 -111.1(2) . . . . ?
B5 B1 B2 B3 -101.0(2) . . . . ?
B4 B1 B2 B3 -37.6(2) . . . . ?
B6 B1 B2 B3 -138.8(2) . . . . ?
Br1 B1 B2 B3 110.1(2) . . . . ?
B5 B1 B2 Br2 148.37(19) . . . . ?
B4 B1 B2 Br2 -148.22(19) . . . . ?
B6 B1 B2 Br2 110.6(2) . . . . ?
B3 B1 B2 Br2 -110.6(2) . . . . ?
Br1 B1 B2 Br2 -0.5(3) . . . . ?
B5 B1 B3 B8 0.6(3) . . . . ?
B4 B1 B3 B8 37.4(2) . . . . ?
B2 B1 B3 B8 -100.4(2) . . . . ?
B6 B1 B3 B8 -63.4(3) . . . . ?
Br1 B1 B3 B8 148.16(19) . . . . ?
B5 B1 B3 B7 63.9(3) . . . . ?
B4 B1 B3 B7 100.6(2) . . . . ?
B2 B1 B3 B7 -37.2(2) . . . . ?
B6 B1 B3 B7 -0.1(3) . . . . ?
Br1 B1 B3 B7 -148.6(2) . . . . ?
B5 B1 B3 B4 -36.8(2) . . . . ?
B2 B1 B3 B4 -137.8(2) . . . . ?
B6 B1 B3 B4 -100.8(2) . . . . ?
Br1 B1 B3 B4 110.8(2) . . . . ?
B5 B1 B3 B2 101.0(2) . . . . ?
B4 B1 B3 B2 137.8(2) . . . . ?
B6 B1 B3 B2 37.0(2) . . . . ?
Br1 B1 B3 B2 -111.4(2) . . . . ?
B5 B1 B3 Br3 -149.0(2) . . . . ?
B4 B1 B3 Br3 -112.2(2) . . . . ?
B2 B1 B3 Br3 110.0(2) . . . . ?
B6 B1 B3 Br3 147.0(2) . . . . ?
Br1 B1 B3 Br3 -1.4(3) . . . . ?
B11 B2 B3 B8 0.4(3) . . . . ?
B7 B2 B3 B8 -37.4(2) . . . . ?
B1 B2 B3 B8 100.5(2) . . . . ?
B6 B2 B3 B8 63.6(3) . . . . ?
Br2 B2 B3 B8 -148.9(2) . . . . ?
B11 B2 B3 B7 37.9(2) . . . . ?
B1 B2 B3 B7 137.9(2) . . . . ?
B6 B2 B3 B7 101.0(2) . . . . ?
Br2 B2 B3 B7 -111.5(2) . . . . ?
B11 B2 B3 B4 -62.5(3) . . . . ?
B7 B2 B3 B4 -100.3(2) . . . . ?
B1 B2 B3 B4 37.61(19) . . . . ?
B6 B2 B3 B4 0.7(3) . . . . ?
Br2 B2 B3 B4 148.18(19) . . . . ?
B11 B2 B3 B1 -100.1(2) . . . . ?
B7 B2 B3 B1 -137.9(2) . . . . ?
B6 B2 B3 B1 -36.91(19) . . . . ?
Br2 B2 B3 B1 110.6(2) . . . . ?
B11 B2 B3 Br3 148.7(2) . . . . ?
B7 B2 B3 Br3 110.8(2) . . . . ?
B1 B2 B3 Br3 -111.2(2) . . . . ?
B6 B2 B3 Br3 -148.15(19) . . . . ?
Br2 B2 B3 Br3 -0.7(3) . . . . ?
B8 B3 B4 B9 -37.8(2) . . . . ?
B7 B3 B4 B9 -0.2(3) . . . . ?
B1 B3 B4 B9 100.1(2) . . . . ?
B2 B3 B4 B9 62.5(3) . . . . ?
Br3 B3 B4 B9 -149.3(2) . . . . ?
B7 B3 B4 B8 37.7(2) . . . . ?
B1 B3 B4 B8 137.9(2) . . . . ?
B2 B3 B4 B8 100.3(2) . . . . ?
Br3 B3 B4 B8 -111.5(2) . . . . ?
B8 B3 B4 B5 -101.2(2) . . . . ?
B7 B3 B4 B5 -63.5(3) . . . . ?
B1 B3 B4 B5 36.73(19) . . . . ?
B2 B3 B4 B5 -0.8(3) . . . . ?
Br3 B3 B4 B5 147.3(2) . . . . ?
B8 B3 B4 B1 -137.9(2) . . . . ?
B7 B3 B4 B1 -100.2(2) . . . . ?
B2 B3 B4 B1 -37.58(19) . . . . ?
Br3 B3 B4 B1 110.6(2) . . . . ?
B8 B3 B4 Br4 110.5(2) . . . . ?
B7 B3 B4 Br4 148.1(2) . . . . ?
B1 B3 B4 Br4 -111.6(2) . . . . ?
B2 B3 B4 Br4 -149.21(19) . . . . ?
Br3 B3 B4 Br4 -1.0(3) . . . . ?
B5 B1 B4 B9 37.8(2) . . . . ?
B2 B1 B4 B9 -63.4(3) . . . . ?
B6 B1 B4 B9 0.1(3) . . . . ?
B3 B1 B4 B9 -101.2(2) . . . . ?
Br1 B1 B4 B9 148.7(2) . . . . ?
B5 B1 B4 B8 101.4(2) . . . . ?
B2 B1 B4 B8 0.2(3) . . . . ?
B6 B1 B4 B8 63.7(3) . . . . ?
B3 B1 B4 B8 -37.5(2) . . . . ?
Br1 B1 B4 B8 -147.67(19) . . . . ?
B2 B1 B4 B5 -101.2(2) . . . . ?
B6 B1 B4 B5 -37.7(2) . . . . ?
B3 B1 B4 B5 -138.9(2) . . . . ?
Br1 B1 B4 B5 110.9(2) . . . . ?
B5 B1 B4 B3 138.9(2) . . . . ?
B2 B1 B4 B3 37.76(19) . . . . ?
B6 B1 B4 B3 101.3(2) . . . . ?
Br1 B1 B4 B3 -110.1(2) . . . . ?
B5 B1 B4 Br4 -109.8(2) . . . . ?
B2 B1 B4 Br4 149.0(2) . . . . ?
B6 B1 B4 Br4 -147.50(19) . . . . ?
B3 B1 B4 Br4 111.2(2) . . . . ?
Br1 B1 B4 Br4 1.1(3) . . . . ?
B4 B1 B5 B9 -37.8(2) . . . . ?
B2 B1 B5 B9 62.7(3) . . . . ?
B6 B1 B5 B9 100.3(2) . . . . ?
B3 B1 B5 B9 -1.0(3) . . . . ?
Br1 B1 B5 B9 -148.3(2) . . . . ?
B2 B1 B5 B4 100.5(2) . . . . ?
B6 B1 B5 B4 138.1(2) . . . . ?
B3 B1 B5 B4 36.8(2) . . . . ?
Br1 B1 B5 B4 -110.6(2) . . . . ?
B4 B1 B5 B10 -100.9(2) . . . . ?
B2 B1 B5 B10 -0.4(3) . . . . ?
B6 B1 B5 B10 37.18(19) . . . . ?
B3 B1 B5 B10 -64.2(3) . . . . ?
Br1 B1 B5 B10 148.51(19) . . . . ?
B4 B1 B5 B6 -138.1(2) . . . . ?
B2 B1 B5 B6 -37.61(19) . . . . ?
B3 B1 B5 B6 -101.4(2) . . . . ?
Br1 B1 B5 B6 111.3(2) . . . . ?
B4 B1 B5 Br5 110.3(2) . . . . ?
B2 B1 B5 Br5 -149.25(19) . . . . ?
B6 B1 B5 Br5 -111.6(2) . . . . ?
B3 B1 B5 Br5 147.01(19) . . . . ?
Br1 B1 B5 Br5 -0.3(3) . . . . ?
B8 B4 B5 B9 37.1(2) . . . . ?
B3 B4 B5 B9 100.6(2) . . . . ?
B1 B4 B5 B9 137.5(2) . . . . ?
Br4 B4 B5 B9 -110.7(2) . . . . ?
B9 B4 B5 B1 -137.5(2) . . . . ?
B8 B4 B5 B1 -100.4(2) . . . . ?
B3 B4 B5 B1 -36.88(19) . . . . ?
Br4 B4 B5 B1 111.9(2) . . . . ?
B9 B4 B5 B10 -37.0(2) . . . . ?
B8 B4 B5 B10 0.1(3) . . . . ?
B3 B4 B5 B10 63.6(3) . . . . ?
B1 B4 B5 B10 100.5(2) . . . . ?
Br4 B4 B5 B10 -147.7(2) . . . . ?
B9 B4 B5 B6 -99.9(2) . . . . ?
B8 B4 B5 B6 -62.8(3) . . . . ?
B3 B4 B5 B6 0.7(3) . . . . ?
B1 B4 B5 B6 37.56(19) . . . . ?
Br4 B4 B5 B6 149.42(19) . . . . ?
B9 B4 B5 Br5 111.7(2) . . . . ?
B8 B4 B5 Br5 148.8(2) . . . . ?
B3 B4 B5 Br5 -147.71(19) . . . . ?
B1 B4 B5 Br5 -110.8(2) . . . . ?
Br4 B4 B5 Br5 1.0(3) . . . . ?
B5 B1 B6 B11 -100.7(2) . . . . ?
B4 B1 B6 B11 -63.2(3) . . . . ?
B2 B1 B6 B11 37.3(2) . . . . ?
B3 B1 B6 B11 0.3(3) . . . . ?
Br1 B1 B6 B11 148.3(2) . . . . ?
B5 B1 B6 B10 -37.3(2) . . . . ?
B4 B1 B6 B10 0.2(3) . . . . ?
B2 B1 B6 B10 100.7(2) . . . . ?
B3 B1 B6 B10 63.6(3) . . . . ?
Br1 B1 B6 B10 -148.26(19) . . . . ?
B5 B1 B6 B2 -138.0(2) . . . . ?
B4 B1 B6 B2 -100.5(2) . . . . ?
B3 B1 B6 B2 -37.1(2) . . . . ?
Br1 B1 B6 B2 111.0(2) . . . . ?
B4 B1 B6 B5 37.48(19) . . . . ?
B2 B1 B6 B5 138.0(2) . . . . ?
B3 B1 B6 B5 101.0(2) . . . . ?
Br1 B1 B6 B5 -111.0(2) . . . . ?
B5 B1 B6 Br6 110.4(2) . . . . ?
B4 B1 B6 Br6 147.90(19) . . . . ?
B2 B1 B6 Br6 -111.6(2) . . . . ?
B3 B1 B6 Br6 -148.62(19) . . . . ?
Br1 B1 B6 Br6 -0.5(3) . . . . ?
B7 B2 B6 B11 -37.6(2) . . . . ?
B1 B2 B6 B11 -137.9(2) . . . . ?
B3 B2 B6 B11 -101.0(2) . . . . ?
Br2 B2 B6 B11 111.5(2) . . . . ?
B11 B2 B6 B10 37.6(2) . . . . ?
B7 B2 B6 B10 0.0(3) . . . . ?
B1 B2 B6 B10 -100.3(2) . . . . ?
B3 B2 B6 B10 -63.4(3) . . . . ?
Br2 B2 B6 B10 149.1(2) . . . . ?
B11 B2 B6 B1 137.9(2) . . . . ?
B7 B2 B6 B1 100.3(2) . . . . ?
B3 B2 B6 B1 36.89(19) . . . . ?
Br2 B2 B6 B1 -110.6(2) . . . . ?
B11 B2 B6 B5 100.8(2) . . . . ?
B7 B2 B6 B5 63.1(3) . . . . ?
B1 B2 B6 B5 -37.17(18) . . . . ?
B3 B2 B6 B5 -0.3(3) . . . . ?
Br2 B2 B6 B5 -147.76(19) . . . . ?
B11 B2 B6 Br6 -111.4(2) . . . . ?
B7 B2 B6 Br6 -149.0(2) . . . . ?
B1 B2 B6 Br6 110.7(2) . . . . ?
B3 B2 B6 Br6 147.55(19) . . . . ?
Br2 B2 B6 Br6 0.1(3) . . . . ?
B9 B5 B6 B11 -0.4(3) . . . . ?
B1 B5 B6 B11 100.3(2) . . . . ?
B4 B5 B6 B11 62.6(3) . . . . ?
B10 B5 B6 B11 -37.8(2) . . . . ?
Br5 B5 B6 B11 -149.42(19) . . . . ?
B9 B5 B6 B10 37.3(2) . . . . ?
B1 B5 B6 B10 138.1(2) . . . . ?
B4 B5 B6 B10 100.4(2) . . . . ?
Br5 B5 B6 B10 -111.6(2) . . . . ?
B9 B5 B6 B1 -100.7(2) . . . . ?
B4 B5 B6 B1 -37.61(19) . . . . ?
B10 B5 B6 B1 -138.1(2) . . . . ?
Br5 B5 B6 B1 110.3(2) . . . . ?
B9 B5 B6 B2 -63.3(2) . . . . ?
B1 B5 B6 B2 37.37(18) . . . . ?
B4 B5 B6 B2 -0.2(3) . . . . ?
B10 B5 B6 B2 -100.7(2) . . . . ?
Br5 B5 B6 B2 147.69(19) . . . . ?
B9 B5 B6 Br6 148.54(19) . . . . ?
B1 B5 B6 Br6 -110.8(2) . . . . ?
B4 B5 B6 Br6 -148.37(19) . . . . ?
B10 B5 B6 Br6 111.2(2) . . . . ?
Br5 B5 B6 Br6 -0.4(3) . . . . ?
B9 C11 B7 B2 -66.8(3) . . . . ?
B11 C11 B7 B2 40.0(2) . . . . ?
B10 C11 B7 B2 3.8(3) . . . . ?
B8 C11 B7 B2 -103.2(2) . . . . ?
B9 C11 B7 B8 36.4(2) . . . . ?
B11 C11 B7 B8 143.2(2) . . . . ?
B10 C11 B7 B8 107.0(2) . . . . ?
B9 C11 B7 B3 -4.0(3) . . . . ?
B11 C11 B7 B3 102.8(2) . . . . ?
B10 C11 B7 B3 66.6(3) . . . . ?
B8 C11 B7 B3 -40.4(2) . . . . ?
B9 C11 B7 B11 -106.8(2) . . . . ?
B10 C11 B7 B11 -36.2(2) . . . . ?
B8 C11 B7 B11 -143.2(2) . . . . ?
B11 B2 B7 C11 -39.3(2) . . . . ?
B1 B2 B7 C11 61.3(3) . . . . ?
B6 B2 B7 C11 -2.1(3) . . . . ?
B3 B2 B7 C11 98.8(2) . . . . ?
Br2 B2 B7 C11 -151.0(2) . . . . ?
B11 B2 B7 B8 -100.5(2) . . . . ?
B1 B2 B7 B8 0.1(3) . . . . ?
B6 B2 B7 B8 -63.4(3) . . . . ?
B3 B2 B7 B8 37.6(2) . . . . ?
Br2 B2 B7 B8 147.8(2) . . . . ?
B11 B2 B7 B3 -138.1(2) . . . . ?
B1 B2 B7 B3 -37.5(2) . . . . ?
B6 B2 B7 B3 -100.9(2) . . . . ?
Br2 B2 B7 B3 110.3(2) . . . . ?
B1 B2 B7 B11 100.6(2) . . . . ?
B6 B2 B7 B11 37.2(2) . . . . ?
B3 B2 B7 B11 138.1(2) . . . . ?
Br2 B2 B7 B11 -111.7(2) . . . . ?
B8 B3 B7 C11 39.8(2) . . . . ?
B4 B3 B7 C11 2.3(3) . . . . ?
B1 B3 B7 C11 -60.8(3) . . . . ?
B2 B3 B7 C11 -98.2(2) . . . . ?
Br3 B3 B7 C11 152.0(2) . . . . ?
B8 B3 B7 B2 138.0(2) . . . . ?
B4 B3 B7 B2 100.5(2) . . . . ?
B1 B3 B7 B2 37.4(2) . . . . ?
Br3 B3 B7 B2 -109.8(2) . . . . ?
B4 B3 B7 B8 -37.5(2) . . . . ?
B1 B3 B7 B8 -100.6(2) . . . . ?
B2 B3 B7 B8 -138.0(2) . . . . ?
Br3 B3 B7 B8 112.1(2) . . . . ?
B8 B3 B7 B11 100.6(2) . . . . ?
B4 B3 B7 B11 63.1(3) . . . . ?
B1 B3 B7 B11 0.0(3) . . . . ?
B2 B3 B7 B11 -37.4(2) . . . . ?
Br3 B3 B7 B11 -147.2(2) . . . . ?
B9 C11 B8 B4 -40.0(2) . . . . ?
B11 C11 B8 B4 66.7(3) . . . . ?
B10 C11 B8 B4 -4.0(3) . . . . ?
B7 C11 B8 B4 103.1(2) . . . . ?
B9 C11 B8 B3 -102.5(2) . . . . ?
B11 C11 B8 B3 4.1(3) . . . . ?
B10 C11 B8 B3 -66.5(3) . . . . ?
B7 C11 B8 B3 40.5(2) . . . . ?
B9 C11 B8 B7 -143.0(2) . . . . ?
B11 C11 B8 B7 -36.4(2) . . . . ?
B10 C11 B8 B7 -107.0(3) . . . . ?
B11 C11 B8 B9 106.6(2) . . . . ?
B10 C11 B8 B9 36.0(2) . . . . ?
B7 C11 B8 B9 143.0(2) . . . . ?
B9 B4 B8 C11 39.0(2) . . . . ?
B5 B4 B8 C11 2.1(3) . . . . ?
B3 B4 B8 C11 -98.8(2) . . . . ?
B1 B4 B8 C11 -61.1(3) . . . . ?
Br4 B4 B8 C11 149.8(2) . . . . ?
B9 B4 B8 B3 137.8(2) . . . . ?
B5 B4 B8 B3 100.9(2) . . . . ?
B1 B4 B8 B3 37.7(2) . . . . ?
Br4 B4 B8 B3 -111.4(2) . . . . ?
B9 B4 B8 B7 100.0(2) . . . . ?
B5 B4 B8 B7 63.1(3) . . . . ?
B3 B4 B8 B7 -37.8(2) . . . . ?
B1 B4 B8 B7 -0.2(3) . . . . ?
Br4 B4 B8 B7 -149.3(2) . . . . ?
B5 B4 B8 B9 -36.9(2) . . . . ?
B3 B4 B8 B9 -137.8(2) . . . . ?
B1 B4 B8 B9 -100.2(2) . . . . ?
Br4 B4 B8 B9 110.7(2) . . . . ?
B7 B3 B8 C11 -39.7(2) . . . . ?
B4 B3 B8 C11 98.0(2) . . . . ?
B1 B3 B8 C11 60.5(3) . . . . ?
B2 B3 B8 C11 -2.6(3) . . . . ?
Br3 B3 B8 C11 -150.2(2) . . . . ?
B7 B3 B8 B4 -137.8(2) . . . . ?
B1 B3 B8 B4 -37.5(2) . . . . ?
B2 B3 B8 B4 -100.6(2) . . . . ?
Br3 B3 B8 B4 111.8(2) . . . . ?
B4 B3 B8 B7 137.8(2) . . . . ?
B1 B3 B8 B7 100.3(2) . . . . ?
B2 B3 B8 B7 37.1(2) . . . . ?
Br3 B3 B8 B7 -110.5(2) . . . . ?
B7 B3 B8 B9 -100.2(2) . . . . ?
B4 B3 B8 B9 37.6(2) . . . . ?
B1 B3 B8 B9 0.1(3) . . . . ?
B2 B3 B8 B9 -63.0(3) . . . . ?
Br3 B3 B8 B9 149.3(2) . . . . ?
B2 B7 B8 C11 95.5(2) . . . . ?
B3 B7 B8 C11 133.4(2) . . . . ?
B11 B7 B8 C11 32.37(19) . . . . ?
C11 B7 B8 B4 -95.4(2) . . . . ?
B2 B7 B8 B4 0.1(3) . . . . ?
B3 B7 B8 B4 38.0(2) . . . . ?
B11 B7 B8 B4 -63.1(3) . . . . ?
C11 B7 B8 B3 -133.4(2) . . . . ?
B2 B7 B8 B3 -37.9(2) . . . . ?
B11 B7 B8 B3 -101.1(2) . . . . ?
C11 B7 B8 B9 -32.31(19) . . . . ?
B2 B7 B8 B9 63.2(3) . . . . ?
B3 B7 B8 B9 101.1(2) . . . . ?
B11 B7 B8 B9 0.1(3) . . . . ?
B11 C11 B9 B4 -67.0(3) . . . . ?
B10 C11 B9 B4 -103.3(2) . . . . ?
B7 C11 B9 B4 3.9(3) . . . . ?
B8 C11 B9 B4 40.2(2) . . . . ?
B11 C11 B9 B5 -4.3(3) . . . . ?
B10 C11 B9 B5 -40.6(2) . . . . ?
B7 C11 B9 B5 66.6(3) . . . . ?
B8 C11 B9 B5 102.9(2) . . . . ?
B11 C11 B9 B10 36.3(2) . . . . ?
B7 C11 B9 B10 107.2(2) . . . . ?
B8 C11 B9 B10 143.5(2) . . . . ?
B11 C11 B9 B8 -107.2(2) . . . . ?
B10 C11 B9 B8 -143.5(2) . . . . ?
B7 C11 B9 B8 -36.3(2) . . . . ?
B8 B4 B9 C11 -39.7(2) . . . . ?
B5 B4 B9 C11 99.1(2) . . . . ?
B3 B4 B9 C11 -2.1(3) . . . . ?
B1 B4 B9 C11 61.3(3) . . . . ?
Br4 B4 B9 C11 -150.69(19) . . . . ?
B8 B4 B9 B5 -138.8(2) . . . . ?
B3 B4 B9 B5 -101.2(2) . . . . ?
B1 B4 B9 B5 -37.7(2) . . . . ?
Br4 B4 B9 B5 110.2(2) . . . . ?
B8 B4 B9 B10 -101.4(3) . . . . ?
B5 B4 B9 B10 37.4(2) . . . . ?
B3 B4 B9 B10 -63.8(3) . . . . ?
B1 B4 B9 B10 -0.3(3) . . . . ?
Br4 B4 B9 B10 147.7(2) . . . . ?
B5 B4 B9 B8 138.8(2) . . . . ?
B3 B4 B9 B8 37.6(2) . . . . ?
B1 B4 B9 B8 101.1(2) . . . . ?
Br4 B4 B9 B8 -111.0(2) . . . . ?
B1 B5 B9 C11 -60.7(3) . . . . ?
B4 B5 B9 C11 -98.7(2) . . . . ?
B10 B5 B9 C11 39.9(2) . . . . ?
B6 B5 B9 C11 2.7(3) . . . . ?
Br5 B5 B9 C11 151.6(2) . . . . ?
B1 B5 B9 B4 38.0(2) . . . . ?
B10 B5 B9 B4 138.6(2) . . . . ?
B6 B5 B9 B4 101.4(2) . . . . ?
Br5 B5 B9 B4 -109.7(2) . . . . ?
B1 B5 B9 B10 -100.5(2) . . . . ?
B4 B5 B9 B10 -138.6(2) . . . . ?
B6 B5 B9 B10 -37.2(2) . . . . ?
Br5 B5 B9 B10 111.8(2) . . . . ?
B1 B5 B9 B8 1.1(3) . . . . ?
B4 B5 B9 B8 -36.9(2) . . . . ?
B10 B5 B9 B8 101.6(3) . . . . ?
B6 B5 B9 B8 64.4(3) . . . . ?
Br5 B5 B9 B8 -146.6(2) . . . . ?
B4 B8 B9 C11 133.8(2) . . . . ?
B3 B8 B9 C11 95.9(2) . . . . ?
B7 B8 B9 C11 32.53(19) . . . . ?
C11 B8 B9 B4 -133.8(2) . . . . ?
B3 B8 B9 B4 -37.9(2) . . . . ?
B7 B8 B9 B4 -101.3(2) . . . . ?
C11 B8 B9 B5 -96.7(2) . . . . ?
B4 B8 B9 B5 37.2(2) . . . . ?
B3 B8 B9 B5 -0.7(3) . . . . ?
B7 B8 B9 B5 -64.1(3) . . . . ?
C11 B8 B9 B10 -32.6(2) . . . . ?
B4 B8 B9 B10 101.3(2) . . . . ?
B3 B8 B9 B10 63.4(3) . . . . ?
B7 B8 B9 B10 0.0(3) . . . . ?
B11 C11 B10 B9 -143.0(2) . . . . ?
B7 C11 B10 B9 -106.6(3) . . . . ?
B8 C11 B10 B9 -36.1(2) . . . . ?
B9 C11 B10 B6 102.8(2) . . . . ?
B11 C11 B10 B6 -40.2(2) . . . . ?
B7 C11 B10 B6 -3.8(3) . . . . ?
B8 C11 B10 B6 66.7(3) . . . . ?
B9 C11 B10 B11 143.0(2) . . . . ?
B7 C11 B10 B11 36.3(2) . . . . ?
B8 C11 B10 B11 106.9(3) . . . . ?
B9 C11 B10 B5 40.1(2) . . . . ?
B11 C11 B10 B5 -102.9(2) . . . . ?
B7 C11 B10 B5 -66.5(3) . . . . ?
B8 C11 B10 B5 4.0(3) . . . . ?
B4 B9 B10 C11 96.2(2) . . . . ?
B5 B9 B10 C11 133.7(2) . . . . ?
B8 B9 B10 C11 32.6(2) . . . . ?
C11 B9 B10 B6 -95.8(2) . . . . ?
B4 B9 B10 B6 0.4(3) . . . . ?
B5 B9 B10 B6 37.9(2) . . . . ?
B8 B9 B10 B6 -63.2(3) . . . . ?
C11 B9 B10 B11 -32.60(19) . . . . ?
B4 B9 B10 B11 63.6(3) . . . . ?
B5 B9 B10 B11 101.1(2) . . . . ?
B8 B9 B10 B11 0.0(3) . . . . ?
C11 B9 B10 B5 -133.7(2) . . . . ?
B4 B9 B10 B5 -37.4(2) . . . . ?
B8 B9 B10 B5 -101.1(2) . . . . ?
B11 B6 B10 C11 39.5(2) . . . . ?
B1 B6 B10 C11 -61.1(2) . . . . ?
B2 B6 B10 C11 2.2(3) . . . . ?
B5 B6 B10 C11 -98.2(2) . . . . ?
Br6 B6 B10 C11 151.30(19) . . . . ?
B11 B6 B10 B9 100.2(2) . . . . ?
B1 B6 B10 B9 -0.4(3) . . . . ?
B2 B6 B10 B9 62.8(3) . . . . ?
B5 B6 B10 B9 -37.5(2) . . . . ?
Br6 B6 B10 B9 -148.0(2) . . . . ?
B1 B6 B10 B11 -100.6(2) . . . . ?
B2 B6 B10 B11 -37.4(2) . . . . ?
B5 B6 B10 B11 -137.7(2) . . . . ?
Br6 B6 B10 B11 111.8(2) . . . . ?
B11 B6 B10 B5 137.7(2) . . . . ?
B1 B6 B10 B5 37.14(19) . . . . ?
B2 B6 B10 B5 100.4(2) . . . . ?
Br6 B6 B10 B5 -110.5(2) . . . . ?
B9 B5 B10 C11 -39.3(2) . . . . ?
B1 B5 B10 C11 61.3(3) . . . . ?
B4 B5 B10 C11 -2.3(3) . . . . ?
B6 B5 B10 C11 98.7(2) . . . . ?
Br5 B5 B10 C11 -150.4(2) . . . . ?
B1 B5 B10 B9 100.5(2) . . . . ?
B4 B5 B10 B9 36.9(2) . . . . ?
B6 B5 B10 B9 138.0(2) . . . . ?
Br5 B5 B10 B9 -111.1(2) . . . . ?
B9 B5 B10 B6 -138.0(2) . . . . ?
B1 B5 B10 B6 -37.5(2) . . . . ?
B4 B5 B10 B6 -101.1(2) . . . . ?
Br5 B5 B10 B6 110.9(2) . . . . ?
B9 B5 B10 B11 -100.3(2) . . . . ?
B1 B5 B10 B11 0.3(3) . . . . ?
B4 B5 B10 B11 -63.3(3) . . . . ?
B6 B5 B10 B11 37.7(2) . . . . ?
Br5 B5 B10 B11 148.6(2) . . . . ?
B9 C11 B11 B6 4.0(3) . . . . ?
B10 C11 B11 B6 40.33(19) . . . . ?
B7 C11 B11 B6 -102.9(2) . . . . ?
B8 C11 B11 B6 -66.8(3) . . . . ?
B9 C11 B11 B2 66.9(3) . . . . ?
B10 C11 B11 B2 103.2(2) . . . . ?
B7 C11 B11 B2 -40.0(2) . . . . ?
B8 C11 B11 B2 -3.9(3) . . . . ?
B9 C11 B11 B10 -36.4(2) . . . . ?
B7 C11 B11 B10 -143.3(2) . . . . ?
B8 C11 B11 B10 -107.1(3) . . . . ?
B9 C11 B11 B7 106.9(2) . . . . ?
B10 C11 B11 B7 143.3(2) . . . . ?
B8 C11 B11 B7 36.2(2) . . . . ?
B10 B6 B11 C11 -39.6(2) . . . . ?
B1 B6 B11 C11 60.8(3) . . . . ?
B2 B6 B11 C11 98.3(2) . . . . ?
B5 B6 B11 C11 -2.0(3) . . . . ?
Br6 B6 B11 C11 -150.59(19) . . . . ?
B10 B6 B11 B2 -137.9(2) . . . . ?
B1 B6 B11 B2 -37.5(2) . . . . ?
B5 B6 B11 B2 -100.2(2) . . . . ?
Br6 B6 B11 B2 111.1(2) . . . . ?
B1 B6 B11 B10 100.4(2) . . . . ?
B2 B6 B11 B10 137.9(2) . . . . ?
B5 B6 B11 B10 37.7(2) . . . . ?
Br6 B6 B11 B10 -111.0(2) . . . . ?
B10 B6 B11 B7 -100.7(2) . . . . ?
B1 B6 B11 B7 -0.3(3) . . . . ?
B2 B6 B11 B7 37.2(2) . . . . ?
B5 B6 B11 B7 -63.0(3) . . . . ?
Br6 B6 B11 B7 148.3(2) . . . . ?
B7 B2 B11 C11 39.4(2) . . . . ?
B1 B2 B11 C11 -61.4(3) . . . . ?
B6 B2 B11 C11 -98.9(2) . . . . ?
B3 B2 B11 C11 1.9(3) . . . . ?
Br2 B2 B11 C11 150.95(19) . . . . ?
B7 B2 B11 B6 138.3(2) . . . . ?
B1 B2 B11 B6 37.5(2) . . . . ?
B3 B2 B11 B6 100.8(2) . . . . ?
Br2 B2 B11 B6 -110.1(2) . . . . ?
B7 B2 B11 B10 100.6(2) . . . . ?
B1 B2 B11 B10 -0.3(3) . . . . ?
B6 B2 B11 B10 -37.7(2) . . . . ?
B3 B2 B11 B10 63.1(3) . . . . ?
Br2 B2 B11 B10 -147.9(2) . . . . ?
B1 B2 B11 B7 -100.9(2) . . . . ?
B6 B2 B11 B7 -138.3(2) . . . . ?
B3 B2 B11 B7 -37.5(2) . . . . ?
Br2 B2 B11 B7 111.5(2) . . . . ?
B9 B10 B11 C11 32.46(19) . . . . ?
B6 B10 B11 C11 133.7(2) . . . . ?
B5 B10 B11 C11 95.6(2) . . . . ?
C11 B10 B11 B6 -133.7(2) . . . . ?
B9 B10 B11 B6 -101.2(2) . . . . ?
B5 B10 B11 B6 -38.1(2) . . . . ?
C11 B10 B11 B2 -95.6(2) . . . . ?
B9 B10 B11 B2 -63.1(3) . . . . ?
B6 B10 B11 B2 38.1(2) . . . . ?
B5 B10 B11 B2 0.0(3) . . . . ?
C11 B10 B11 B7 -32.41(19) . . . . ?
B9 B10 B11 B7 0.1(3) . . . . ?
B6 B10 B11 B7 101.3(2) . . . . ?
B5 B10 B11 B7 63.2(3) . . . . ?
B2 B7 B11 C11 -133.7(2) . . . . ?
B8 B7 B11 C11 -32.55(19) . . . . ?
B3 B7 B11 C11 -95.9(2) . . . . ?
C11 B7 B11 B6 96.0(2) . . . . ?
B2 B7 B11 B6 -37.7(2) . . . . ?
B8 B7 B11 B6 63.5(3) . . . . ?
B3 B7 B11 B6 0.2(3) . . . . ?
C11 B7 B11 B2 133.7(2) . . . . ?
B8 B7 B11 B2 101.2(2) . . . . ?
B3 B7 B11 B2 37.9(2) . . . . ?
C11 B7 B11 B10 32.48(19) . . . . ?
B2 B7 B11 B10 -101.2(2) . . . . ?
B8 B7 B11 B10 -0.1(3) . . . . ?
B3 B7 B11 B10 -63.4(3) . . . . ?

_refine_diff_density_max         1.419
_refine_diff_density_min         -1.590
_refine_diff_density_rms         0.200



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RS153_0m
_database_code_depnum_ccdc_archive 'CCDC 2011368'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '3(C13 H36 B11), 3(C10 H12 Se4), C H2 Cl2'
_chemical_formula_sum            'C70 H146 B33 Cl2 Se12'
_chemical_formula_weight         2363.01

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.7943 1.1372 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   9.1263(13)
_cell_length_b                   74.893(11)
_cell_length_c                   15.658(2)
_cell_angle_alpha                90
_cell_angle_beta                 104.505(10)
_cell_angle_gamma                90
_cell_volume                     10361(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9774
_cell_measurement_theta_min      2.9742
_cell_measurement_theta_max      78.4821

_exptl_crystal_description       rod
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_F_000             4692
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    5.646
_shelx_estimated_absorpt_T_min   0.384
_shelx_estimated_absorpt_T_max   0.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2399
_exptl_absorpt_correction_T_max  0.3901
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'I-mu-S microsource X-ray tube'
_diffrn_source_current           '1.0 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'laterally graded multilayer (Goebel) mirror'
_diffrn_measurement_device_type  
;
Bruker AXS D8 Quest CMOS diffractometer with PhotonII charge-integrating pixel 
array detector (CPAD)
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean 7.4074
_diffrn_reflns_number            81535
_diffrn_reflns_av_unetI/netI     0.0330
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -92
_diffrn_reflns_limit_k_max       90
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.974
_diffrn_reflns_theta_max         78.967
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             21428
_reflns_number_gt                18574
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 v2018.1-0 (Bruker, 2018)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev1030 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
The position of the C atoms in the carborane anions were located from 
difference density maps and occupancy refinements. No indication of C/B 
disorder was observed for all three anions. 

One of the carborane anions is disordered by rotation in space. The 
two disordered moieties were restrained to have similar geometries as 
the other two not disordered anions. Uij components of ADPs for 
disordered atoms closer to each other than 2.0 Angstrom were restrained 
to be similar. Subject to these conditions the occupancy ratio refined 
to 0.521(4) to 0.479(4). 

The methylene chloride solvate molecule is disordered over two orientations. 
The two disordered moieties were restrained to have similar geometries. 
Uij components of ADPs for disordered atoms closer to each other than 
2.0 Angstrom were restrained to be similar. Subject to these conditions 
the occupancy ratio refined to 0.526(6) to 0.474(6). 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0438P)²+23.9180P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21428
_refine_ls_number_parameters     1359
_refine_ls_number_restraints     1899
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0512
_refine_ls_wR_factor_ref         0.1241
_refine_ls_wR_factor_gt          0.1203
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Se1 Se -0.10215(6) 0.36741(2) 0.30111(4) 0.05025(13) Uani 1 1 d . . . . .
Se2 Se 0.02646(6) 0.34855(2) 0.48164(4) 0.04435(12) Uani 1 1 d . . . . .
Se3 Se -0.35491(5) 0.33346(2) 0.23900(3) 0.04283(11) Uani 1 1 d . . . . .
Se4 Se -0.18957(5) 0.31198(2) 0.40694(3) 0.04206(11) Uani 1 1 d . . . . .
Se5 Se 0.25803(5) 0.34737(2) 0.29952(3) 0.03675(10) Uani 1 1 d . . . . .
Se6 Se 0.23190(5) 0.31153(2) 0.39700(3) 0.03875(11) Uani 1 1 d . . . . .
Se7 Se -0.04112(5) 0.33487(2) 0.13161(3) 0.04109(11) Uani 1 1 d . . . . .
Se8 Se -0.03974(5) 0.29747(2) 0.22061(3) 0.04064(11) Uani 1 1 d . . . . .
Se9 Se 0.05411(6) 0.46399(2) 0.04311(5) 0.05630(15) Uani 1 1 d . . . . .
Se10 Se 0.17332(6) 0.49551(2) 0.17217(4) 0.06123(16) Uani 1 1 d . . . . .
Se11 Se 0.19068(7) 0.48318(2) -0.11265(4) 0.05568(14) Uani 1 1 d . . . . .
Se12 Se 0.31026(6) 0.51568(2) 0.00991(4) 0.04605(12) Uani 1 1 d . . . . .
C71 C 0.712(3) 0.3652(3) 0.7128(18) 0.119(4) Uani 0.526(6) 1 d D U P A 1
H71A H 0.762931 0.372021 0.766349 0.143 Uiso 0.526(6) 1 calc R U P A 1
H71B H 0.627245 0.372655 0.679301 0.143 Uiso 0.526(6) 1 calc R U P A 1
Cl1 Cl 0.8386(10) 0.36232(12) 0.6494(5) 0.0818(17) Uani 0.526(6) 1 d D U P A 1
Cl2 Cl 0.6401(6) 0.34635(7) 0.7445(4) 0.120(2) Uani 0.526(6) 1 d D U P A 1
C71B C 0.723(2) 0.3619(5) 0.7286(19) 0.122(4) Uani 0.474(6) 1 d D U P A 2
H71C H 0.747371 0.354373 0.782185 0.147 Uiso 0.474(6) 1 calc R U P A 2
H71D H 0.743279 0.374512 0.747444 0.147 Uiso 0.474(6) 1 calc R U P A 2
Cl1B Cl 0.8384(13) 0.35609(17) 0.6622(8) 0.134(4) Uani 0.474(6) 1 d D U P A 2
Cl2B Cl 0.5387(6) 0.35962(11) 0.6775(4) 0.134(3) Uani 0.474(6) 1 d D U P A 2
C1 C -0.1058(5) 0.34734(6) 0.3707(3) 0.0385(9) Uani 1 1 d . . . . .
C2 C -0.2005(5) 0.33310(6) 0.3427(3) 0.0377(9) Uani 1 1 d . . . . .
C3 C 0.0721(10) 0.39876(8) 0.3663(5) 0.093(3) Uani 1 1 d . . . . .
H3A H 0.131229 0.405000 0.418604 0.140 Uiso 1 1 calc R U . . .
H3B H -0.021528 0.405373 0.341415 0.140 Uiso 1 1 calc R U . . .
H3C H 0.131443 0.397926 0.322196 0.140 Uiso 1 1 calc R U . . .
C4 C 0.0338(7) 0.38022(6) 0.3917(4) 0.0598(15) Uani 1 1 d . . . . .
C5 C 0.0879(6) 0.37222(7) 0.4687(4) 0.0552(13) Uani 1 1 d . . . . .
C6 C 0.1964(8) 0.37963(9) 0.5493(5) 0.079(2) Uani 1 1 d . . . . .
H6A H 0.285502 0.371874 0.565952 0.118 Uiso 1 1 calc R U . . .
H6B H 0.146733 0.380202 0.597921 0.118 Uiso 1 1 calc R U . . .
H6C H 0.227783 0.391648 0.536564 0.118 Uiso 1 1 calc R U . . .
C7 C -0.5682(5) 0.30481(8) 0.1880(4) 0.0580(14) Uani 1 1 d . . . . .
H7A H -0.614020 0.294428 0.209247 0.087 Uiso 1 1 calc R U . . .
H7B H -0.537156 0.301560 0.134439 0.087 Uiso 1 1 calc R U . . .
H7C H -0.642077 0.314551 0.174621 0.087 Uiso 1 1 calc R U . . .
C8 C -0.4319(5) 0.31077(6) 0.2579(3) 0.0435(10) Uani 1 1 d . . . . .
C9 C -0.3625(5) 0.30169(6) 0.3298(3) 0.0448(10) Uani 1 1 d . . . . .
C10 C -0.4036(6) 0.28334(7) 0.3556(4) 0.0622(15) Uani 1 1 d . . . . .
H10A H -0.491513 0.278899 0.311115 0.093 Uiso 1 1 calc R U . . .
H10B H -0.428092 0.283949 0.413009 0.093 Uiso 1 1 calc R U . . .
H10C H -0.317814 0.275239 0.359552 0.093 Uiso 1 1 calc R U . . .
C11 C 0.1576(4) 0.32571(5) 0.2980(3) 0.0324(8) Uani 1 1 d . . . . .
C12 C 0.0418(4) 0.32034(5) 0.2281(3) 0.0347(8) Uani 1 1 d . . . . .
C13 C 0.5168(6) 0.35724(7) 0.4372(3) 0.0491(11) Uani 1 1 d . . . . .
H13A H 0.598548 0.352853 0.485861 0.074 Uiso 1 1 calc R U . . .
H13B H 0.467535 0.367478 0.457357 0.074 Uiso 1 1 calc R U . . .
H13C H 0.558743 0.360925 0.388122 0.074 Uiso 1 1 calc R U . . .
C14 C 0.4026(5) 0.34262(6) 0.4069(3) 0.0396(9) Uani 1 1 d . . . . .
C15 C 0.3927(5) 0.32728(6) 0.4485(3) 0.0420(10) Uani 1 1 d . . . . .
C16 C 0.4958(6) 0.32110(8) 0.5341(4) 0.0600(14) Uani 1 1 d . . . . .
H16A H 0.585133 0.328842 0.549493 0.090 Uiso 1 1 calc R U . . .
H16B H 0.527536 0.308778 0.527655 0.090 Uiso 1 1 calc R U . . .
H16C H 0.441850 0.321659 0.580813 0.090 Uiso 1 1 calc R U . . .
C17 C -0.2620(6) 0.32238(8) -0.0214(4) 0.0638(16) Uani 1 1 d . . . . .
H17A H -0.275482 0.312111 -0.061436 0.096 Uiso 1 1 calc R U . . .
H17B H -0.210438 0.331998 -0.044758 0.096 Uiso 1 1 calc R U . . .
H17C H -0.361188 0.326584 -0.016372 0.096 Uiso 1 1 calc R U . . .
C18 C -0.1684(5) 0.31692(7) 0.0680(3) 0.0454(11) Uani 1 1 d . . . . .
C19 C -0.1695(5) 0.30096(6) 0.1068(3) 0.0446(11) Uani 1 1 d . . . . .
C20 C -0.2656(6) 0.28517(7) 0.0685(4) 0.0604(14) Uani 1 1 d . . . . .
H20A H -0.333954 0.288537 0.011968 0.091 Uiso 1 1 calc R U . . .
H20B H -0.325185 0.281341 0.109352 0.091 Uiso 1 1 calc R U . . .
H20C H -0.200293 0.275346 0.059341 0.091 Uiso 1 1 calc R U . . .
C21 C 0.1522(5) 0.48598(6) 0.0605(3) 0.0436(10) Uani 1 1 d . . . . .
C22 C 0.2095(5) 0.49384(6) -0.0035(3) 0.0404(9) Uani 1 1 d . . . . .
C23 C -0.0423(7) 0.44562(9) 0.1809(6) 0.091(3) Uani 1 1 d . . . . .
H23A H 0.036248 0.436950 0.207599 0.137 Uiso 1 1 calc R U . . .
H23B H -0.108236 0.440512 0.127273 0.137 Uiso 1 1 calc R U . . .
H23C H -0.102441 0.448523 0.222811 0.137 Uiso 1 1 calc R U . . .
C24 C 0.0307(6) 0.46231(9) 0.1578(5) 0.0650(16) Uani 1 1 d . . . . .
C25 C 0.0814(6) 0.47549(11) 0.2132(4) 0.0726(19) Uani 1 1 d . . . . .
C26 C 0.0702(9) 0.47648(15) 0.3075(5) 0.114(3) Uani 1 1 d . . . . .
H26A H 0.022560 0.487779 0.317058 0.171 Uiso 1 1 calc R U . . .
H26B H 0.171869 0.475809 0.347192 0.171 Uiso 1 1 calc R U . . .
H26C H 0.009007 0.466492 0.319589 0.171 Uiso 1 1 calc R U . . .
C27 C 0.3207(9) 0.49767(12) -0.2469(5) 0.096(2) Uani 1 1 d . . . . .
H27A H 0.371141 0.507962 -0.265768 0.144 Uiso 1 1 calc R U . . .
H27B H 0.222469 0.495760 -0.288860 0.144 Uiso 1 1 calc R U . . .
H27C H 0.383770 0.487016 -0.245001 0.144 Uiso 1 1 calc R U . . .
C28 C 0.2968(6) 0.50124(8) -0.1549(4) 0.0579(13) Uani 1 1 d . . . . .
C29 C 0.3477(5) 0.51521(7) -0.1036(4) 0.0496(11) Uani 1 1 d . . . . .
C30 C 0.4362(6) 0.53084(8) -0.1254(5) 0.0680(17) Uani 1 1 d . . . . .
H30A H 0.537304 0.530992 -0.084903 0.102 Uiso 1 1 calc R U . . .
H30B H 0.383353 0.541975 -0.119213 0.102 Uiso 1 1 calc R U . . .
H30C H 0.445369 0.529705 -0.186167 0.102 Uiso 1 1 calc R U . . .
C45 C 0.0310(5) 0.27854(7) 0.8404(3) 0.0556(13) Uani 1 1 d D . . . .
B12 B 0.1570(5) 0.26148(7) 0.8306(3) 0.0437(12) Uani 1 1 d D . . . .
B13 B 0.2252(5) 0.28271(7) 0.8697(3) 0.0455(12) Uani 1 1 d D . . . .
B14 B 0.0979(5) 0.29892(7) 0.8119(3) 0.0441(12) Uani 1 1 d D . . . .
B15 B -0.0504(5) 0.28791(6) 0.7366(3) 0.0429(11) Uani 1 1 d D . . . .
B16 B -0.0147(5) 0.26454(6) 0.7479(3) 0.0414(11) Uani 1 1 d D . . . .
B17 B 0.1582(5) 0.26020(6) 0.7173(3) 0.0397(11) Uani 1 1 d D . . . .
B18 B 0.3053(5) 0.27158(7) 0.7931(3) 0.0425(11) Uani 1 1 d D . . . .
B19 B 0.2687(5) 0.29478(7) 0.7821(3) 0.0431(11) Uani 1 1 d D . . . .
B20 B 0.0993(6) 0.29793(6) 0.6996(3) 0.0440(11) Uani 1 1 d D . . . .
B21 B 0.0294(6) 0.27650(6) 0.6593(3) 0.0417(11) Uani 1 1 d D . . . .
B22 B 0.2279(6) 0.28085(6) 0.6871(3) 0.0412(11) Uani 1 1 d D . . . .
C46 C -0.0608(7) 0.27777(9) 0.9133(4) 0.0693(16) Uani 1 1 d D . . . .
H46A H -0.037481 0.288341 0.951146 0.104 Uiso 1 1 calc R U . . .
H46B H -0.032536 0.266988 0.949136 0.104 Uiso 1 1 calc R U . . .
H46C H -0.169450 0.277486 0.884924 0.104 Uiso 1 1 calc R U . . .
C47 C 0.1828(7) 0.24441(8) 0.8940(4) 0.0673(16) Uani 1 1 d D . . . .
H47A H 0.256499 0.236412 0.877837 0.101 Uiso 1 1 calc R U . . .
H47B H 0.086603 0.238096 0.887537 0.101 Uiso 1 1 calc R U . . .
H47C H 0.221104 0.248271 0.955310 0.101 Uiso 1 1 calc R U . . .
C48 C 0.3114(7) 0.28612(10) 0.9697(4) 0.0739(18) Uani 1 1 d D . . . .
H48A H 0.367725 0.297367 0.974333 0.111 Uiso 1 1 calc R U . . .
H48B H 0.381932 0.276278 0.990789 0.111 Uiso 1 1 calc R U . . .
H48C H 0.237787 0.286822 1.005621 0.111 Uiso 1 1 calc R U . . .
C49 C 0.0703(7) 0.31686(8) 0.8596(4) 0.0680(16) Uani 1 1 d D . . . .
H49A H 0.129155 0.326546 0.842265 0.102 Uiso 1 1 calc R U . . .
H49B H 0.102283 0.315213 0.923650 0.102 Uiso 1 1 calc R U . . .
H49C H -0.037522 0.319907 0.842264 0.102 Uiso 1 1 calc R U . . .
C50 C -0.2173(6) 0.29580(8) 0.7126(4) 0.0627(15) Uani 1 1 d D . . . .
H50A H -0.220232 0.306736 0.677842 0.094 Uiso 1 1 calc R U . . .
H50B H -0.247407 0.298546 0.767018 0.094 Uiso 1 1 calc R U . . .
H50C H -0.287255 0.286998 0.678199 0.094 Uiso 1 1 calc R U . . .
C51 C -0.1493(6) 0.25063(7) 0.7356(4) 0.0600(14) Uani 1 1 d D . . . .
H51A H -0.238974 0.255404 0.693639 0.090 Uiso 1 1 calc R U . . .
H51B H -0.172599 0.248538 0.792570 0.090 Uiso 1 1 calc R U . . .
H51C H -0.119441 0.239355 0.713057 0.090 Uiso 1 1 calc R U . . .
C52 C 0.1898(6) 0.24177(6) 0.6732(4) 0.0564(14) Uani 1 1 d D . . . .
H52A H 0.100009 0.238368 0.627148 0.085 Uiso 1 1 calc R U . . .
H52B H 0.212860 0.232422 0.718333 0.085 Uiso 1 1 calc R U . . .
H52C H 0.276034 0.243254 0.646991 0.085 Uiso 1 1 calc R U . . .
C53 C 0.4755(6) 0.26419(8) 0.8228(4) 0.0633(15) Uani 1 1 d D . . . .
H53A H 0.495830 0.256651 0.775927 0.095 Uiso 1 1 calc R U . . .
H53B H 0.488237 0.257144 0.876905 0.095 Uiso 1 1 calc R U . . .
H53C H 0.546282 0.274260 0.833704 0.095 Uiso 1 1 calc R U . . .
C54 C 0.4014(6) 0.30924(8) 0.7999(4) 0.0638(15) Uani 1 1 d D . . . .
H54A H 0.378343 0.318410 0.753796 0.096 Uiso 1 1 calc R U . . .
H54B H 0.497091 0.303379 0.799195 0.096 Uiso 1 1 calc R U . . .
H54C H 0.410193 0.314814 0.857575 0.096 Uiso 1 1 calc R U . . .
C55 C 0.0737(7) 0.31535(6) 0.6392(4) 0.0606(14) Uani 1 1 d D . . . .
H55A H 0.106162 0.312984 0.585128 0.091 Uiso 1 1 calc R U . . .
H55B H 0.133054 0.325244 0.671372 0.091 Uiso 1 1 calc R U . . .
H55C H -0.033904 0.318525 0.623812 0.091 Uiso 1 1 calc R U . . .
C56 C -0.0658(6) 0.27377(7) 0.5594(3) 0.0593(14) Uani 1 1 d D . . . .
H56A H -0.008494 0.278555 0.519259 0.089 Uiso 1 1 calc R U . . .
H56B H -0.162629 0.280062 0.549949 0.089 Uiso 1 1 calc R U . . .
H56C H -0.084417 0.261002 0.547699 0.089 Uiso 1 1 calc R U . . .
C57 C 0.3257(6) 0.28194(7) 0.6159(4) 0.0560(13) Uani 1 1 d D . . . .
H57A H 0.267330 0.288086 0.563042 0.084 Uiso 1 1 calc R U . . .
H57B H 0.350587 0.269843 0.600192 0.084 Uiso 1 1 calc R U . . .
H57C H 0.419361 0.288553 0.640746 0.084 Uiso 1 1 calc R U . . .
C58 C 0.2689(5) 0.39724(6) -0.0974(3) 0.0500(12) Uani 1 1 d D . . . .
B23 B 0.4648(5) 0.39644(7) -0.0562(3) 0.0428(11) Uani 1 1 d D . . . .
B24 B 0.3561(5) 0.37677(7) -0.0660(3) 0.0415(11) Uani 1 1 d D . . . .
B25 B 0.1814(5) 0.38193(6) -0.0424(3) 0.0398(11) Uani 1 1 d D . . . .
B26 B 0.1825(5) 0.40512(6) -0.0169(3) 0.0381(10) Uani 1 1 d D . . . .
B27 B 0.3587(5) 0.41419(6) -0.0268(3) 0.0427(11) Uani 1 1 d D . . . .
B28 B 0.5061(5) 0.40375(6) 0.0546(3) 0.0398(11) Uani 1 1 d D . . . .
B29 B 0.5042(5) 0.38056(6) 0.0293(3) 0.0381(10) Uani 1 1 d D . . . .
B30 B 0.3287(5) 0.37144(6) 0.0378(3) 0.0370(10) Uani 1 1 d D . . . .
B31 B 0.2204(5) 0.38904(6) 0.0694(3) 0.0349(10) Uani 1 1 d D . . . .
B32 B 0.3306(5) 0.40904(6) 0.0794(3) 0.0363(10) Uani 1 1 d D . . . .
B33 B 0.4201(5) 0.38814(6) 0.1137(3) 0.0349(10) Uani 1 1 d D . . . .
C59 C 0.2018(7) 0.40093(9) -0.1980(4) 0.0701(17) Uani 1 1 d D . . . .
H59A H 0.283420 0.404452 -0.224989 0.105 Uiso 1 1 calc R U . . .
H59B H 0.127032 0.410565 -0.205348 0.105 Uiso 1 1 calc R U . . .
H59C H 0.152945 0.390081 -0.226710 0.105 Uiso 1 1 calc R U . . .
C60 C 0.5739(7) 0.39977(8) -0.1187(4) 0.0685(17) Uani 1 1 d D . . . .
H60A H 0.675454 0.395398 -0.089949 0.103 Uiso 1 1 calc R U . . .
H60B H 0.578453 0.412589 -0.130365 0.103 Uiso 1 1 calc R U . . .
H60C H 0.535321 0.393398 -0.174449 0.103 Uiso 1 1 calc R U . . .
C61 C 0.3665(7) 0.36235(8) -0.1386(4) 0.0655(15) Uani 1 1 d D . . . .
H61A H 0.377307 0.368425 -0.192128 0.098 Uiso 1 1 calc R U . . .
H61B H 0.274213 0.355097 -0.152429 0.098 Uiso 1 1 calc R U . . .
H61C H 0.454415 0.354637 -0.116042 0.098 Uiso 1 1 calc R U . . .
C62 C 0.0296(5) 0.37190(7) -0.0912(4) 0.0565(13) Uani 1 1 d D . . . .
H62A H 0.012490 0.373375 -0.155089 0.085 Uiso 1 1 calc R U . . .
H62B H -0.055846 0.376990 -0.072007 0.085 Uiso 1 1 calc R U . . .
H62C H 0.038731 0.359166 -0.076375 0.085 Uiso 1 1 calc R U . . .
C63 C 0.0305(5) 0.41664(7) -0.0431(3) 0.0477(11) Uani 1 1 d D . . . .
H63A H 0.047791 0.427364 -0.075105 0.072 Uiso 1 1 calc R U . . .
H63B H 0.000776 0.420132 0.010473 0.072 Uiso 1 1 calc R U . . .
H63C H -0.050286 0.409490 -0.080792 0.072 Uiso 1 1 calc R U . . .
C64 C 0.3705(7) 0.43388(7) -0.0626(4) 0.0588(14) Uani 1 1 d D . . . .
H64A H 0.475422 0.436319 -0.063977 0.088 Uiso 1 1 calc R U . . .
H64B H 0.338894 0.442483 -0.023565 0.088 Uiso 1 1 calc R U . . .
H64C H 0.304594 0.434969 -0.122268 0.088 Uiso 1 1 calc R U . . .
C65 C 0.6605(5) 0.41403(7) 0.0982(4) 0.0551(13) Uani 1 1 d D . . . .
H65A H 0.690639 0.421241 0.053259 0.083 Uiso 1 1 calc R U . . .
H65B H 0.740098 0.405317 0.122656 0.083 Uiso 1 1 calc R U . . .
H65C H 0.645295 0.421826 0.145548 0.083 Uiso 1 1 calc R U . . .
C66 C 0.6572(5) 0.36904(6) 0.0482(4) 0.0484(11) Uani 1 1 d D . . . .
H66A H 0.688244 0.367445 -0.006875 0.073 Uiso 1 1 calc R U . . .
H66B H 0.639527 0.357331 0.071743 0.073 Uiso 1 1 calc R U . . .
H66C H 0.737151 0.375296 0.091224 0.073 Uiso 1 1 calc R U . . .
C67 C 0.3166(5) 0.35083(6) 0.0638(3) 0.0450(10) Uani 1 1 d D . . . .
H67A H 0.216680 0.346182 0.033705 0.068 Uiso 1 1 calc R U . . .
H67B H 0.330804 0.349820 0.127798 0.068 Uiso 1 1 calc R U . . .
H67C H 0.395104 0.343911 0.045914 0.068 Uiso 1 1 calc R U . . .
C68 C 0.1028(5) 0.38567(6) 0.1281(3) 0.0431(10) Uani 1 1 d D . . . .
H68A H 0.039996 0.396325 0.126831 0.065 Uiso 1 1 calc R U . . .
H68B H 0.158213 0.383141 0.189023 0.065 Uiso 1 1 calc R U . . .
H68C H 0.038068 0.375467 0.104385 0.065 Uiso 1 1 calc R U . . .
C69 C 0.3208(5) 0.42425(6) 0.1495(3) 0.0452(10) Uani 1 1 d D . . . .
H69A H 0.293196 0.435620 0.118698 0.068 Uiso 1 1 calc R U . . .
H69B H 0.419285 0.425455 0.192058 0.068 Uiso 1 1 calc R U . . .
H69C H 0.243950 0.420981 0.180578 0.068 Uiso 1 1 calc R U . . .
C70 C 0.4909(5) 0.38396(6) 0.2166(3) 0.0414(10) Uani 1 1 d D . . . .
H70A H 0.515249 0.371225 0.224250 0.062 Uiso 1 1 calc R U . . .
H70B H 0.417206 0.387099 0.250191 0.062 Uiso 1 1 calc R U . . .
H70C H 0.583213 0.391015 0.238088 0.062 Uiso 1 1 calc R U . . .
C31 C 0.7125(9) 0.42898(11) 0.6407(5) 0.0411(15) Uani 0.521(4) 1 d D U P B 1
B1 B 0.8167(9) 0.42874(11) 0.5610(5) 0.0380(16) Uani 0.521(4) 1 d D U P B 1
B2 B 0.8419(9) 0.44614(12) 0.6412(5) 0.0390(16) Uani 0.521(4) 1 d D U P B 1
B3 B 0.6639(10) 0.45072(11) 0.6623(5) 0.0398(16) Uani 0.521(4) 1 d D U P B 1
B4 B 0.5285(9) 0.43630(12) 0.5951(6) 0.0382(15) Uani 0.521(4) 1 d D U P B 1
B5 B 0.6225(9) 0.42256(10) 0.5331(6) 0.0389(16) Uani 0.521(4) 1 d D U P B 1
B6 B 0.6948(9) 0.43666(11) 0.4620(6) 0.0398(16) Uani 0.521(4) 1 d D U P B 1
B7 B 0.8305(9) 0.45110(12) 0.5302(5) 0.0400(15) Uani 0.521(4) 1 d D U P B 1
B8 B 0.7358(10) 0.46468(10) 0.5912(5) 0.0403(15) Uani 0.521(4) 1 d D U P B 1
B9 B 0.5412(9) 0.45879(11) 0.5629(6) 0.0404(16) Uani 0.521(4) 1 d D U P B 1
B10 B 0.5154(9) 0.44145(12) 0.4828(6) 0.0415(16) Uani 0.521(4) 1 d D U P B 1
B11 B 0.6457(10) 0.45902(11) 0.4809(5) 0.0407(16) Uani 0.521(4) 1 d D U P B 1
C32 C 0.7471(14) 0.41462(18) 0.7151(9) 0.059(3) Uani 0.521(4) 1 d D U P B 1
H32A H 0.828895 0.406832 0.707097 0.088 Uiso 0.521(4) 1 calc R U P B 1
H32B H 0.656066 0.407465 0.712299 0.088 Uiso 0.521(4) 1 calc R U P B 1
H32C H 0.777948 0.420530 0.772646 0.088 Uiso 0.521(4) 1 calc R U P B 1
C33 C 0.9459(10) 0.41439(14) 0.5637(7) 0.052(2) Uani 0.521(4) 1 d D U P B 1
H33A H 0.900422 0.403269 0.536296 0.078 Uiso 0.521(4) 1 calc R U P B 1
H33B H 1.000042 0.412083 0.625060 0.078 Uiso 0.521(4) 1 calc R U P B 1
H33C H 1.016961 0.418963 0.531242 0.078 Uiso 0.521(4) 1 calc R U P B 1
C34 C 0.9957(10) 0.44761(15) 0.7162(7) 0.051(2) Uani 0.521(4) 1 d D U P B 1
H34A H 1.049214 0.436159 0.721822 0.077 Uiso 0.521(4) 1 calc R U P B 1
H34B H 0.972971 0.450613 0.772459 0.077 Uiso 0.521(4) 1 calc R U P B 1
H34C H 1.059401 0.456955 0.700536 0.077 Uiso 0.521(4) 1 calc R U P B 1
C35 C 0.6526(15) 0.45629(17) 0.7591(7) 0.053(3) Uani 0.521(4) 1 d D U P B 1
H35A H 0.550877 0.460861 0.756310 0.080 Uiso 0.521(4) 1 calc R U P B 1
H35B H 0.727520 0.465586 0.782447 0.080 Uiso 0.521(4) 1 calc R U P B 1
H35C H 0.672477 0.445832 0.797945 0.080 Uiso 0.521(4) 1 calc R U P B 1
C36 C 0.3909(11) 0.42859(16) 0.6298(8) 0.058(2) Uani 0.521(4) 1 d D U P B 1
H36A H 0.310194 0.424604 0.579563 0.087 Uiso 0.521(4) 1 calc R U P B 1
H36B H 0.351831 0.437948 0.661928 0.087 Uiso 0.521(4) 1 calc R U P B 1
H36C H 0.426049 0.418469 0.669353 0.087 Uiso 0.521(4) 1 calc R U P B 1
C37 C 0.5753(12) 0.40239(11) 0.5100(8) 0.058(3) Uani 0.521(4) 1 d D U P B 1
H37A H 0.515840 0.401591 0.448652 0.088 Uiso 0.521(4) 1 calc R U P B 1
H37B H 0.514502 0.398092 0.549277 0.088 Uiso 0.521(4) 1 calc R U P B 1
H37C H 0.666518 0.395024 0.517872 0.088 Uiso 0.521(4) 1 calc R U P B 1
C38 C 0.7128(16) 0.42984(16) 0.3679(7) 0.054(3) Uani 0.521(4) 1 d D U P B 1
H38A H 0.633137 0.435151 0.320885 0.081 Uiso 0.521(4) 1 calc R U P B 1
H38B H 0.704001 0.416799 0.365023 0.081 Uiso 0.521(4) 1 calc R U P B 1
H38C H 0.812094 0.433405 0.360396 0.081 Uiso 0.521(4) 1 calc R U P B 1
C39 C 0.9770(10) 0.45805(16) 0.4991(8) 0.063(3) Uani 0.521(4) 1 d D U P B 1
H39A H 0.993400 0.450386 0.451673 0.095 Uiso 0.521(4) 1 calc R U P B 1
H39B H 1.066369 0.457623 0.549227 0.095 Uiso 0.521(4) 1 calc R U P B 1
H39C H 0.960006 0.470365 0.477760 0.095 Uiso 0.521(4) 1 calc R U P B 1
C40 C 0.7926(12) 0.48463(11) 0.6203(7) 0.057(2) Uani 0.521(4) 1 d D U P B 1
H40A H 0.805039 0.491269 0.568697 0.086 Uiso 0.521(4) 1 calc R U P B 1
H40B H 0.889640 0.484104 0.664665 0.086 Uiso 0.521(4) 1 calc R U P B 1
H40C H 0.717542 0.490654 0.645363 0.086 Uiso 0.521(4) 1 calc R U P B 1
C41 C 0.4111(11) 0.47272(13) 0.5660(7) 0.055(2) Uani 0.521(4) 1 d D U P B 1
H41A H 0.455464 0.484597 0.580382 0.083 Uiso 0.521(4) 1 calc R U P B 1
H41B H 0.359805 0.469050 0.611164 0.083 Uiso 0.521(4) 1 calc R U P B 1
H41C H 0.337744 0.473095 0.508364 0.083 Uiso 0.521(4) 1 calc R U P B 1
C42 C 0.3602(11) 0.43903(15) 0.4088(8) 0.051(3) Uani 0.521(4) 1 d D U P B 1
H42A H 0.353201 0.448158 0.363097 0.077 Uiso 0.521(4) 1 calc R U P B 1
H42B H 0.274694 0.440298 0.435719 0.077 Uiso 0.521(4) 1 calc R U P B 1
H42C H 0.357554 0.427148 0.382215 0.077 Uiso 0.521(4) 1 calc R U P B 1
C43 C 0.6195(13) 0.47344(14) 0.4028(7) 0.059(2) Uani 0.521(4) 1 d D U P B 1
H43A H 0.677466 0.469970 0.360569 0.089 Uiso 0.521(4) 1 calc R U P B 1
H43B H 0.653422 0.485202 0.427442 0.089 Uiso 0.521(4) 1 calc R U P B 1
H43C H 0.511629 0.473965 0.372746 0.089 Uiso 0.521(4) 1 calc R U P B 1
C31B C 0.7365(10) 0.42967(12) 0.6293(6) 0.0424(16) Uani 0.479(4) 1 d D U P B 2
B1B B 0.8304(9) 0.43588(13) 0.5493(6) 0.0393(16) Uani 0.479(4) 1 d D U P B 2
B2B B 0.8118(10) 0.45119(12) 0.6332(6) 0.0403(16) Uani 0.479(4) 1 d D U P B 2
B3B B 0.6330(10) 0.44759(12) 0.6551(6) 0.0391(16) Uani 0.479(4) 1 d D U P B 2
B4B B 0.5410(10) 0.43022(12) 0.5849(6) 0.0414(17) Uani 0.479(4) 1 d D U P B 2
B5B B 0.6630(10) 0.42276(11) 0.5199(6) 0.0421(17) Uani 0.479(4) 1 d D U P B 2
B6B B 0.6897(10) 0.44078(12) 0.4518(6) 0.0405(17) Uani 0.479(4) 1 d D U P B 2
B7B B 0.7810(10) 0.45831(12) 0.5225(6) 0.0390(16) Uani 0.479(4) 1 d D U P B 2
B8B B 0.6586(10) 0.46534(11) 0.5864(6) 0.0378(15) Uani 0.479(4) 1 d D U P B 2
B9B B 0.4910(9) 0.45256(12) 0.5575(6) 0.0399(16) Uani 0.479(4) 1 d D U P B 2
B10B B 0.5092(10) 0.43725(12) 0.4738(6) 0.0412(17) Uani 0.479(4) 1 d D U P B 2
B11B B 0.5822(10) 0.45912(11) 0.4749(6) 0.0399(17) Uani 0.479(4) 1 d D U P B 2
C32B C 0.8044(16) 0.41564(19) 0.7029(9) 0.061(3) Uani 0.479(4) 1 d D U P B 2
H32D H 0.860304 0.406544 0.679050 0.092 Uiso 0.479(4) 1 calc R U P B 2
H32E H 0.722163 0.409954 0.722944 0.092 Uiso 0.479(4) 1 calc R U P B 2
H32F H 0.873031 0.421665 0.752766 0.092 Uiso 0.479(4) 1 calc R U P B 2
C33B C 0.9908(11) 0.42734(18) 0.5506(8) 0.064(3) Uani 0.479(4) 1 d D U P B 2
H33D H 1.033641 0.433351 0.506804 0.095 Uiso 0.479(4) 1 calc R U P B 2
H33E H 0.978240 0.414596 0.536418 0.095 Uiso 0.479(4) 1 calc R U P B 2
H33F H 1.059161 0.428814 0.609358 0.095 Uiso 0.479(4) 1 calc R U P B 2
C34B C 0.9549(12) 0.45740(17) 0.7080(7) 0.057(3) Uani 0.479(4) 1 d D U P B 2
H34D H 0.998869 0.468106 0.688432 0.085 Uiso 0.479(4) 1 calc R U P B 2
H34E H 1.030444 0.447819 0.719747 0.085 Uiso 0.479(4) 1 calc R U P B 2
H34F H 0.923488 0.460091 0.762084 0.085 Uiso 0.479(4) 1 calc R U P B 2
C35B C 0.6061(17) 0.4504(2) 0.7512(7) 0.057(3) Uani 0.479(4) 1 d D U P B 2
H35D H 0.500692 0.447615 0.749972 0.086 Uiso 0.479(4) 1 calc R U P B 2
H35E H 0.627416 0.462881 0.769379 0.086 Uiso 0.479(4) 1 calc R U P B 2
H35F H 0.673684 0.442537 0.793318 0.086 Uiso 0.479(4) 1 calc R U P B 2
C36B C 0.4288(13) 0.41723(17) 0.6179(9) 0.064(3) Uani 0.479(4) 1 d D U P B 2
H36D H 0.344533 0.413973 0.568031 0.096 Uiso 0.479(4) 1 calc R U P B 2
H36E H 0.389322 0.423297 0.662988 0.096 Uiso 0.479(4) 1 calc R U P B 2
H36F H 0.483252 0.406423 0.643190 0.096 Uiso 0.479(4) 1 calc R U P B 2
C37B C 0.6642(17) 0.40238(13) 0.4909(9) 0.070(3) Uani 0.479(4) 1 d D U P B 2
H37D H 0.703472 0.401517 0.438240 0.106 Uiso 0.479(4) 1 calc R U P B 2
H37E H 0.560852 0.397633 0.477620 0.106 Uiso 0.479(4) 1 calc R U P B 2
H37F H 0.728852 0.395461 0.538905 0.106 Uiso 0.479(4) 1 calc R U P B 2
C38B C 0.7180(18) 0.43791(19) 0.3555(7) 0.057(3) Uani 0.479(4) 1 d D U P B 2
H38D H 0.669502 0.426793 0.329992 0.086 Uiso 0.479(4) 1 calc R U P B 2
H38E H 0.827054 0.437223 0.360315 0.086 Uiso 0.479(4) 1 calc R U P B 2
H38F H 0.674849 0.447969 0.317405 0.086 Uiso 0.479(4) 1 calc R U P B 2
C39B C 0.8942(12) 0.47211(15) 0.4925(8) 0.061(3) Uani 0.479(4) 1 d D U P B 2
H39D H 0.933112 0.466712 0.445572 0.092 Uiso 0.479(4) 1 calc R U P B 2
H39E H 0.978747 0.474897 0.543062 0.092 Uiso 0.479(4) 1 calc R U P B 2
H39F H 0.839407 0.483113 0.470572 0.092 Uiso 0.479(4) 1 calc R U P B 2
C40B C 0.6490(15) 0.48565(13) 0.6157(9) 0.070(3) Uani 0.479(4) 1 d D U P B 2
H40D H 0.732669 0.488190 0.667130 0.105 Uiso 0.479(4) 1 calc R U P B 2
H40E H 0.552454 0.487660 0.630898 0.105 Uiso 0.479(4) 1 calc R U P B 2
H40F H 0.655895 0.493558 0.566987 0.105 Uiso 0.479(4) 1 calc R U P B 2
C41B C 0.3320(10) 0.46082(17) 0.5613(8) 0.059(3) Uani 0.479(4) 1 d D U P B 2
H41D H 0.255291 0.457578 0.507669 0.089 Uiso 0.479(4) 1 calc R U P B 2
H41E H 0.340417 0.473852 0.565698 0.089 Uiso 0.479(4) 1 calc R U P B 2
H41F H 0.302466 0.456116 0.612983 0.089 Uiso 0.479(4) 1 calc R U P B 2
C42B C 0.3636(14) 0.43045(19) 0.4008(9) 0.062(3) Uani 0.479(4) 1 d D U P B 2
H42D H 0.355874 0.436993 0.345680 0.093 Uiso 0.479(4) 1 calc R U P B 2
H42E H 0.272373 0.432554 0.421665 0.093 Uiso 0.479(4) 1 calc R U P B 2
H42F H 0.373554 0.417652 0.390550 0.093 Uiso 0.479(4) 1 calc R U P B 2
C43B C 0.5074(13) 0.47358(15) 0.4015(7) 0.058(3) Uani 0.479(4) 1 d D U P B 2
H43D H 0.483559 0.467947 0.343139 0.086 Uiso 0.479(4) 1 calc R U P B 2
H43E H 0.578662 0.483424 0.402695 0.086 Uiso 0.479(4) 1 calc R U P B 2
H43F H 0.414330 0.478211 0.413715 0.086 Uiso 0.479(4) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Se1 C1 1.861(4) . ?
Se1 C4 1.895(6) . ?
Se2 C1 1.853(5) . ?
Se2 C5 1.886(5) . ?
Se3 C2 1.865(4) . ?
Se3 C8 1.890(5) . ?
Se4 C2 1.863(4) . ?
Se4 C9 1.895(5) . ?
Se5 C11 1.860(4) . ?
Se5 C14 1.893(5) . ?
Se6 C11 1.862(4) . ?
Se6 C15 1.898(4) . ?
Se7 C12 1.862(4) . ?
Se7 C18 1.889(5) . ?
Se8 C12 1.860(4) . ?
Se8 C19 1.894(5) . ?
Se9 C21 1.861(5) . ?
Se9 C24 1.865(7) . ?
Se10 C21 1.854(5) . ?
Se10 C25 1.906(6) . ?
Se11 C22 1.856(5) . ?
Se11 C28 1.878(6) . ?
Se12 C22 1.862(4) . ?
Se12 C29 1.892(5) . ?
C71 Cl2 1.69(2) . ?
C71 Cl1 1.715(13) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C71B Cl2B 1.68(2) . ?
C71B Cl1B 1.711(15) . ?
C71B H71C 0.9900 . ?
C71B H71D 0.9900 . ?
C1 C2 1.374(6) . ?
C3 C4 1.509(7) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.325(9) . ?
C5 C6 1.502(8) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.505(6) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.331(7) . ?
C9 C10 1.506(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.377(6) . ?
C13 C14 1.504(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.334(6) . ?
C15 C16 1.505(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.502(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.342(7) . ?
C19 C20 1.505(7) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.372(7) . ?
C23 C24 1.502(8) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.318(10) . ?
C25 C26 1.508(10) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.534(8) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.330(8) . ?
C29 C30 1.509(7) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C45 C46 1.577(7) . ?
C45 B14 1.743(7) . ?
C45 B13 1.743(7) . ?
C45 B12 1.751(6) . ?
C45 B16 1.753(7) . ?
C45 B15 1.755(7) . ?
B12 C47 1.598(6) . ?
B12 B13 1.760(7) . ?
B12 B18 1.774(7) . ?
B12 B16 1.781(7) . ?
B12 B17 1.780(7) . ?
B13 C48 1.586(7) . ?
B13 B18 1.763(7) . ?
B13 B14 1.766(7) . ?
B13 B19 1.769(7) . ?
B14 C49 1.588(7) . ?
B14 B15 1.762(7) . ?
B14 B19 1.762(7) . ?
B14 B20 1.763(7) . ?
B15 C50 1.589(6) . ?
B15 B20 1.779(7) . ?
B15 B21 1.780(7) . ?
B15 B16 1.781(6) . ?
B16 C51 1.584(6) . ?
B16 B21 1.780(7) . ?
B16 B17 1.790(6) . ?
B17 C52 1.602(6) . ?
B17 B18 1.772(7) . ?
B17 B21 1.778(6) . ?
B17 B22 1.781(6) . ?
B18 C53 1.604(6) . ?
B18 B19 1.769(7) . ?
B18 B22 1.774(7) . ?
B19 C54 1.597(7) . ?
B19 B20 1.764(7) . ?
B19 B22 1.778(7) . ?
B20 C55 1.594(6) . ?
B20 B22 1.780(7) . ?
B20 B21 1.783(6) . ?
B21 C56 1.602(6) . ?
B21 B22 1.784(7) . ?
B22 C57 1.595(6) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.565(7) . ?
C58 B24 1.740(6) . ?
C58 B23 1.743(6) . ?
C58 B25 1.743(7) . ?
C58 B27 1.747(7) . ?
C58 B26 1.748(6) . ?
B23 C60 1.580(6) . ?
B23 B29 1.759(6) . ?
B23 B24 1.761(7) . ?
B23 B28 1.767(7) . ?
B23 B27 1.772(6) . ?
B24 C61 1.588(7) . ?
B24 B30 1.752(6) . ?
B24 B29 1.767(7) . ?
B24 B25 1.767(6) . ?
B25 C62 1.593(6) . ?
B25 B30 1.776(6) . ?
B25 B31 1.778(6) . ?
B25 B26 1.781(6) . ?
B26 C63 1.598(6) . ?
B26 B31 1.778(6) . ?
B26 B32 1.780(6) . ?
B26 B27 1.788(6) . ?
B27 C64 1.590(6) . ?
B27 B28 1.785(6) . ?
B27 B32 1.787(6) . ?
B28 C65 1.601(6) . ?
B28 B29 1.780(6) . ?
B28 B32 1.785(6) . ?
B28 B33 1.790(6) . ?
B29 C66 1.604(5) . ?
B29 B30 1.777(6) . ?
B29 B33 1.780(6) . ?
B30 C67 1.608(6) . ?
B30 B33 1.783(6) . ?
B30 B31 1.790(6) . ?
B31 C68 1.598(6) . ?
B31 B33 1.782(6) . ?
B31 B32 1.789(6) . ?
B32 C69 1.600(6) . ?
B32 B33 1.785(6) . ?
B33 C70 1.609(6) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C31 C32 1.559(10) . ?
C31 B4 1.741(10) . ?
C31 B3 1.743(10) . ?
C31 B2 1.744(10) . ?
C31 B5 1.746(10) . ?
C31 B1 1.748(10) . ?
B1 C33 1.589(9) . ?
B1 B7 1.756(11) . ?
B1 B6 1.769(10) . ?
B1 B5 1.777(10) . ?
B1 B2 1.784(10) . ?
B2 C34 1.592(10) . ?
B2 B7 1.755(10) . ?
B2 B8 1.760(11) . ?
B2 B3 1.770(10) . ?
B3 C35 1.601(10) . ?
B3 B8 1.768(10) . ?
B3 B4 1.774(10) . ?
B3 B9 1.780(10) . ?
B4 C36 1.597(9) . ?
B4 B9 1.771(10) . ?
B4 B10 1.776(10) . ?
B4 B5 1.777(10) . ?
B5 C37 1.588(10) . ?
B5 B6 1.778(10) . ?
B5 B10 1.787(10) . ?
B6 C38 1.606(10) . ?
B6 B11 1.778(10) . ?
B6 B7 1.784(10) . ?
B6 B10 1.784(10) . ?
B7 C39 1.619(9) . ?
B7 B8 1.763(10) . ?
B7 B11 1.772(11) . ?
B8 C40 1.610(9) . ?
B8 B11 1.769(10) . ?
B8 B9 1.775(11) . ?
B9 C41 1.591(9) . ?
B9 B10 1.780(10) . ?
B9 B11 1.781(10) . ?
B10 C42 1.600(10) . ?
B10 B11 1.779(10) . ?
B11 C43 1.604(10) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C31B C32B 1.567(11) . ?
C31B B4B 1.745(10) . ?
C31B B3B 1.746(10) . ?
C31B B2B 1.748(10) . ?
C31B B1B 1.749(11) . ?
C31B B5B 1.754(10) . ?
B1B C33B 1.593(10) . ?
B1B B7B 1.763(11) . ?
B1B B6B 1.770(11) . ?
B1B B5B 1.778(11) . ?
B1B B2B 1.783(11) . ?
B2B C34B 1.590(10) . ?
B2B B8B 1.761(11) . ?
B2B B7B 1.767(11) . ?
B2B B3B 1.771(11) . ?
B3B C35B 1.599(11) . ?
B3B B8B 1.763(10) . ?
B3B B4B 1.773(11) . ?
B3B B9B 1.779(10) . ?
B4B C36B 1.591(10) . ?
B4B B9B 1.759(11) . ?
B4B B10B 1.770(11) . ?
B4B B5B 1.776(11) . ?
B5B C37B 1.593(11) . ?
B5B B6B 1.775(11) . ?
B5B B10B 1.778(11) . ?
B6B C38B 1.608(10) . ?
B6B B11B 1.777(11) . ?
B6B B7B 1.783(10) . ?
B6B B10B 1.785(10) . ?
B7B C39B 1.612(10) . ?
B7B B8B 1.757(10) . ?
B7B B11B 1.781(11) . ?
B8B C40B 1.597(10) . ?
B8B B9B 1.764(11) . ?
B8B B11B 1.772(10) . ?
B9B C41B 1.592(10) . ?
B9B B11B 1.773(11) . ?
B9B B10B 1.780(11) . ?
B10B C42B 1.604(10) . ?
B10B B11B 1.767(11) . ?
B11B C43B 1.602(10) . ?
C32B H32D 0.9800 . ?
C32B H32E 0.9800 . ?
C32B H32F 0.9800 . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
C36B H36D 0.9800 . ?
C36B H36E 0.9800 . ?
C36B H36F 0.9800 . ?
C37B H37D 0.9800 . ?
C37B H37E 0.9800 . ?
C37B H37F 0.9800 . ?
C38B H38D 0.9800 . ?
C38B H38E 0.9800 . ?
C38B H38F 0.9800 . ?
C39B H39D 0.9800 . ?
C39B H39E 0.9800 . ?
C39B H39F 0.9800 . ?
C40B H40D 0.9800 . ?
C40B H40E 0.9800 . ?
C40B H40F 0.9800 . ?
C41B H41D 0.9800 . ?
C41B H41E 0.9800 . ?
C41B H41F 0.9800 . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
C43B H43D 0.9800 . ?
C43B H43E 0.9800 . ?
C43B H43F 0.9800 . ?

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
C1 Se1 C4 94.3(2) . . ?
C1 Se2 C5 95.0(2) . . ?
C2 Se3 C8 94.6(2) . . ?
C2 Se4 C9 94.5(2) . . ?
C11 Se5 C14 94.55(18) . . ?
C11 Se6 C15 94.61(19) . . ?
C12 Se7 C18 94.8(2) . . ?
C12 Se8 C19 94.5(2) . . ?
C21 Se9 C24 94.9(3) . . ?
C21 Se10 C25 93.7(3) . . ?
C22 Se11 C28 94.5(2) . . ?
C22 Se12 C29 94.5(2) . . ?
Cl2 C71 Cl1 115.6(13) . . ?
Cl2 C71 H71A 108.4 . . ?
Cl1 C71 H71A 108.4 . . ?
Cl2 C71 H71B 108.4 . . ?
Cl1 C71 H71B 108.4 . . ?
H71A C71 H71B 107.4 . . ?
Cl2B C71B Cl1B 112.2(14) . . ?
Cl2B C71B H71C 109.2 . . ?
Cl1B C71B H71C 109.2 . . ?
Cl2B C71B H71D 109.2 . . ?
Cl1B C71B H71D 109.2 . . ?
H71C C71B H71D 107.9 . . ?
C2 C1 Se2 123.1(3) . . ?
C2 C1 Se1 122.9(4) . . ?
Se2 C1 Se1 114.0(2) . . ?
C1 C2 Se4 122.9(3) . . ?
C1 C2 Se3 122.9(3) . . ?
Se4 C2 Se3 114.1(2) . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C3 126.7(6) . . ?
C5 C4 Se1 118.5(4) . . ?
C3 C4 Se1 114.8(5) . . ?
C4 C5 C6 127.9(5) . . ?
C4 C5 Se2 118.0(4) . . ?
C6 C5 Se2 114.1(5) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C7 126.5(5) . . ?
C9 C8 Se3 118.4(4) . . ?
C7 C8 Se3 115.1(4) . . ?
C8 C9 C10 126.6(5) . . ?
C8 C9 Se4 118.4(4) . . ?
C10 C9 Se4 115.0(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Se5 122.9(3) . . ?
C12 C11 Se6 122.8(3) . . ?
Se5 C11 Se6 114.3(2) . . ?
C11 C12 Se8 122.3(3) . . ?
C11 C12 Se7 123.3(3) . . ?
Se8 C12 Se7 114.3(2) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C13 126.8(4) . . ?
C15 C14 Se5 118.5(3) . . ?
C13 C14 Se5 114.7(3) . . ?
C14 C15 C16 126.6(4) . . ?
C14 C15 Se6 117.9(3) . . ?
C16 C15 Se6 115.5(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C17 126.7(5) . . ?
C19 C18 Se7 117.9(4) . . ?
C17 C18 Se7 115.4(4) . . ?
C18 C19 C20 126.1(5) . . ?
C18 C19 Se8 118.4(4) . . ?
C20 C19 Se8 115.5(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Se10 123.7(3) . . ?
C22 C21 Se9 122.0(4) . . ?
Se10 C21 Se9 114.3(3) . . ?
C21 C22 Se11 121.5(3) . . ?
C21 C22 Se12 124.2(3) . . ?
Se11 C22 Se12 114.2(2) . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C23 124.6(7) . . ?
C25 C24 Se9 118.5(4) . . ?
C23 C24 Se9 116.9(6) . . ?
C24 C25 C26 125.6(7) . . ?
C24 C25 Se10 118.6(5) . . ?
C26 C25 Se10 115.8(6) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C27 126.5(6) . . ?
C29 C28 Se11 119.1(4) . . ?
C27 C28 Se11 114.4(5) . . ?
C28 C29 C30 126.8(5) . . ?
C28 C29 Se12 117.7(4) . . ?
C30 C29 Se12 115.5(4) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C46 C45 B14 120.1(4) . . ?
C46 C45 B13 120.4(4) . . ?
B14 C45 B13 60.8(3) . . ?
C46 C45 B12 121.0(4) . . ?
B14 C45 B12 109.7(3) . . ?
B13 C45 B12 60.5(3) . . ?
C46 C45 B16 121.1(4) . . ?
B14 C45 B16 109.8(4) . . ?
B13 C45 B16 109.9(3) . . ?
B12 C45 B16 61.1(3) . . ?
C46 C45 B15 120.4(4) . . ?
B14 C45 B15 60.5(3) . . ?
B13 C45 B15 109.8(4) . . ?
B12 C45 B15 110.2(4) . . ?
B16 C45 B15 61.0(3) . . ?
C47 B12 C45 121.8(4) . . ?
C47 B12 B13 121.5(4) . . ?
C45 B12 B13 59.5(3) . . ?
C47 B12 B18 122.7(4) . . ?
C45 B12 B18 106.8(3) . . ?
B13 B12 B18 59.8(3) . . ?
C47 B12 B16 121.4(4) . . ?
C45 B12 B16 59.5(3) . . ?
B13 B12 B16 107.9(3) . . ?
B18 B12 B16 108.0(3) . . ?
C47 B12 B17 122.6(4) . . ?
C45 B12 B17 107.1(3) . . ?
B13 B12 B17 107.8(3) . . ?
B18 B12 B17 59.8(3) . . ?
B16 B12 B17 60.4(3) . . ?
C48 B13 C45 120.6(4) . . ?
C48 B13 B12 122.2(5) . . ?
C45 B13 B12 60.0(3) . . ?
C48 B13 B18 124.0(4) . . ?
C45 B13 B18 107.7(4) . . ?
B12 B13 B18 60.5(3) . . ?
C48 B13 B14 119.7(4) . . ?
C45 B13 B14 59.6(3) . . ?
B12 B13 B14 108.2(3) . . ?
B18 B13 B14 107.9(3) . . ?
C48 B13 B19 122.1(4) . . ?
C45 B13 B19 107.3(3) . . ?
B12 B13 B19 108.7(3) . . ?
B18 B13 B19 60.1(3) . . ?
B14 B13 B19 59.8(3) . . ?
C49 B14 C45 120.9(4) . . ?
C49 B14 B15 121.7(4) . . ?
C45 B14 B15 60.1(3) . . ?
C49 B14 B19 121.9(4) . . ?
C45 B14 B19 107.6(3) . . ?
B15 B14 B19 108.8(3) . . ?
C49 B14 B20 123.1(4) . . ?
C45 B14 B20 108.0(3) . . ?
B15 B14 B20 60.6(3) . . ?
B19 B14 B20 60.1(3) . . ?
C49 B14 B13 120.1(4) . . ?
C45 B14 B13 59.6(3) . . ?
B15 B14 B13 108.5(3) . . ?
B19 B14 B13 60.2(3) . . ?
B20 B14 B13 108.3(3) . . ?
C50 B15 C45 121.7(4) . . ?
C50 B15 B14 121.0(4) . . ?
C45 B15 B14 59.4(3) . . ?
C50 B15 B20 122.4(4) . . ?
C45 B15 B20 106.8(3) . . ?
B14 B15 B20 59.7(3) . . ?
C50 B15 B21 123.3(4) . . ?
C45 B15 B21 106.7(3) . . ?
B14 B15 B21 107.6(3) . . ?
B20 B15 B21 60.1(3) . . ?
C50 B15 B16 122.0(4) . . ?
C45 B15 B16 59.4(3) . . ?
B14 B15 B16 107.7(3) . . ?
B20 B15 B16 108.1(3) . . ?
B21 B15 B16 60.0(3) . . ?
C51 B16 C45 120.7(4) . . ?
C51 B16 B21 123.8(4) . . ?
C45 B16 B21 106.8(3) . . ?
C51 B16 B12 121.2(4) . . ?
C45 B16 B12 59.4(3) . . ?
B21 B16 B12 107.6(3) . . ?
C51 B16 B15 121.1(4) . . ?
C45 B16 B15 59.6(3) . . ?
B21 B16 B15 60.0(3) . . ?
B12 B16 B15 107.7(3) . . ?
C51 B16 B17 123.8(4) . . ?
C45 B16 B17 106.6(3) . . ?
B21 B16 B17 59.7(3) . . ?
B12 B16 B17 59.8(3) . . ?
B15 B16 B17 107.7(3) . . ?
C52 B17 B18 121.0(4) . . ?
C52 B17 B21 122.6(4) . . ?
B18 B17 B21 107.7(3) . . ?
C52 B17 B22 121.2(4) . . ?
B18 B17 B22 59.9(3) . . ?
B21 B17 B22 60.2(3) . . ?
C52 B17 B12 121.6(4) . . ?
B18 B17 B12 59.9(3) . . ?
B21 B17 B12 107.7(3) . . ?
B22 B17 B12 108.1(3) . . ?
C52 B17 B16 122.6(4) . . ?
B18 B17 B16 107.7(3) . . ?
B21 B17 B16 59.9(3) . . ?
B22 B17 B16 108.1(3) . . ?
B12 B17 B16 59.8(3) . . ?
C53 B18 B13 120.2(4) . . ?
C53 B18 B19 120.8(4) . . ?
B13 B18 B19 60.1(3) . . ?
C53 B18 B17 123.0(4) . . ?
B13 B18 B17 108.0(3) . . ?
B19 B18 B17 108.3(3) . . ?
C53 B18 B22 122.4(4) . . ?
B13 B18 B22 108.4(3) . . ?
B19 B18 B22 60.2(3) . . ?
B17 B18 B22 60.3(3) . . ?
C53 B18 B12 121.4(4) . . ?
B13 B18 B12 59.7(3) . . ?
B19 B18 B12 108.0(3) . . ?
B17 B18 B12 60.3(3) . . ?
B22 B18 B12 108.6(3) . . ?
C54 B19 B14 121.1(4) . . ?
C54 B19 B20 121.6(4) . . ?
B14 B19 B20 60.0(3) . . ?
C54 B19 B18 122.2(4) . . ?
B14 B19 B18 107.8(3) . . ?
B20 B19 B18 108.2(3) . . ?
C54 B19 B13 121.3(4) . . ?
B14 B19 B13 60.0(3) . . ?
B20 B19 B13 108.1(3) . . ?
B18 B19 B13 59.8(3) . . ?
C54 B19 B22 122.3(4) . . ?
B14 B19 B22 108.1(3) . . ?
B20 B19 B22 60.3(3) . . ?
B18 B19 B22 60.0(3) . . ?
B13 B19 B22 108.0(3) . . ?
C55 B20 B14 121.4(4) . . ?
C55 B20 B19 121.0(4) . . ?
B14 B20 B19 59.9(3) . . ?
C55 B20 B15 121.9(4) . . ?
B14 B20 B15 59.6(3) . . ?
B19 B20 B15 108.0(3) . . ?
C55 B20 B22 121.7(4) . . ?
B14 B20 B22 108.0(3) . . ?
B19 B20 B22 60.2(3) . . ?
B15 B20 B22 108.3(3) . . ?
C55 B20 B21 122.7(4) . . ?
B14 B20 B21 107.4(3) . . ?
B19 B20 B21 108.0(3) . . ?
B15 B20 B21 60.0(3) . . ?
B22 B20 B21 60.1(3) . . ?
C56 B21 B17 122.6(4) . . ?
C56 B21 B15 120.8(4) . . ?
B17 B21 B15 108.2(3) . . ?
C56 B21 B16 121.6(4) . . ?
B17 B21 B16 60.4(3) . . ?
B15 B21 B16 60.0(3) . . ?
C56 B21 B20 121.3(4) . . ?
B17 B21 B20 107.8(3) . . ?
B15 B21 B20 59.9(3) . . ?
B16 B21 B20 108.0(3) . . ?
C56 B21 B22 122.1(4) . . ?
B17 B21 B22 60.0(3) . . ?
B15 B21 B22 108.1(3) . . ?
B16 B21 B22 108.4(3) . . ?
B20 B21 B22 59.9(3) . . ?
C57 B22 B18 120.8(4) . . ?
C57 B22 B19 121.2(4) . . ?
B18 B22 B19 59.7(3) . . ?
C57 B22 B20 122.6(4) . . ?
B18 B22 B20 107.3(3) . . ?
B19 B22 B20 59.5(3) . . ?
C57 B22 B17 122.0(4) . . ?
B18 B22 B17 59.8(3) . . ?
B19 B22 B17 107.5(3) . . ?
B20 B22 B17 107.8(3) . . ?
C57 B22 B21 123.4(4) . . ?
B18 B22 B21 107.4(3) . . ?
B19 B22 B21 107.3(3) . . ?
B20 B22 B21 60.0(3) . . ?
B17 B22 B21 59.9(3) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
B12 C47 H47A 109.5 . . ?
B12 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
B12 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
B13 C48 H48A 109.5 . . ?
B13 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
B13 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
B14 C49 H49A 109.5 . . ?
B14 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
B14 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
B15 C50 H50A 109.5 . . ?
B15 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
B15 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
B16 C51 H51A 109.5 . . ?
B16 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
B16 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
B17 C52 H52A 109.5 . . ?
B17 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
B17 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
B18 C53 H53A 109.5 . . ?
B18 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
B18 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
B19 C54 H54A 109.5 . . ?
B19 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
B19 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
B20 C55 H55A 109.5 . . ?
B20 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
B20 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
B21 C56 H56A 109.5 . . ?
B21 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
B21 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
B22 C57 H57A 109.5 . . ?
B22 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
B22 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 B24 118.4(4) . . ?
C59 C58 B23 119.0(4) . . ?
B24 C58 B23 60.7(3) . . ?
C59 C58 B25 120.1(4) . . ?
B24 C58 B25 61.0(3) . . ?
B23 C58 B25 110.4(3) . . ?
C59 C58 B27 120.8(4) . . ?
B24 C58 B27 110.6(3) . . ?
B23 C58 B27 61.0(3) . . ?
B25 C58 B27 111.5(3) . . ?
C59 C58 B26 122.2(4) . . ?
B24 C58 B26 110.5(3) . . ?
B23 C58 B26 110.5(3) . . ?
B25 C58 B26 61.4(3) . . ?
B27 C58 B26 61.5(3) . . ?
C60 B23 C58 120.8(4) . . ?
C60 B23 B29 122.5(4) . . ?
C58 B23 B29 107.5(3) . . ?
C60 B23 B24 120.4(4) . . ?
C58 B23 B24 59.6(3) . . ?
B29 B23 B24 60.3(3) . . ?
C60 B23 B28 123.1(4) . . ?
C58 B23 B28 107.4(3) . . ?
B29 B23 B28 60.6(3) . . ?
B24 B23 B28 108.8(3) . . ?
C60 B23 B27 120.8(4) . . ?
C58 B23 B27 59.6(3) . . ?
B29 B23 B27 109.3(3) . . ?
B24 B23 B27 108.5(3) . . ?
B28 B23 B27 60.6(3) . . ?
C61 B24 C58 120.1(4) . . ?
C61 B24 B30 123.9(4) . . ?
C58 B24 B30 107.5(3) . . ?
C61 B24 B23 119.9(4) . . ?
C58 B24 B23 59.7(3) . . ?
B30 B24 B23 108.5(3) . . ?
C61 B24 B29 122.9(4) . . ?
C58 B24 B29 107.2(3) . . ?
B30 B24 B29 60.6(3) . . ?
B23 B24 B29 59.8(3) . . ?
C61 B24 B25 121.1(4) . . ?
C58 B24 B25 59.6(3) . . ?
B30 B24 B25 60.6(3) . . ?
B23 B24 B25 108.5(3) . . ?
B29 B24 B25 109.1(3) . . ?
C62 B25 C58 121.6(4) . . ?
C62 B25 B24 121.3(4) . . ?
C58 B25 B24 59.4(3) . . ?
C62 B25 B30 122.9(4) . . ?
C58 B25 B30 106.3(3) . . ?
B24 B25 B30 59.2(2) . . ?
C62 B25 B31 123.3(4) . . ?
C58 B25 B31 106.6(3) . . ?
B24 B25 B31 107.6(3) . . ?
B30 B25 B31 60.5(2) . . ?
C62 B25 B26 121.5(4) . . ?
C58 B25 B26 59.5(3) . . ?
B24 B25 B26 107.8(3) . . ?
B30 B25 B26 108.2(3) . . ?
B31 B25 B26 59.9(3) . . ?
C63 B26 C58 121.1(4) . . ?
C63 B26 B31 123.5(4) . . ?
C58 B26 B31 106.4(3) . . ?
C63 B26 B32 123.7(4) . . ?
C58 B26 B32 106.4(3) . . ?
B31 B26 B32 60.4(2) . . ?
C63 B26 B25 120.9(4) . . ?
C58 B26 B25 59.2(3) . . ?
B31 B26 B25 59.9(3) . . ?
B32 B26 B25 108.1(3) . . ?
C63 B26 B27 121.0(4) . . ?
C58 B26 B27 59.2(3) . . ?
B31 B26 B27 108.4(3) . . ?
B32 B26 B27 60.1(3) . . ?
B25 B26 B27 107.8(3) . . ?
C64 B27 C58 120.9(4) . . ?
C64 B27 B23 121.0(4) . . ?
C58 B27 B23 59.4(3) . . ?
C64 B27 B28 123.5(4) . . ?
C58 B27 B28 106.5(3) . . ?
B23 B27 B28 59.6(3) . . ?
C64 B27 B32 124.5(4) . . ?
C58 B27 B32 106.1(3) . . ?
B23 B27 B32 107.1(3) . . ?
B28 B27 B32 60.0(3) . . ?
C64 B27 B26 121.6(4) . . ?
C58 B27 B26 59.2(3) . . ?
B23 B27 B26 107.4(3) . . ?
B28 B27 B26 107.8(3) . . ?
B32 B27 B26 59.7(3) . . ?
C65 B28 B23 121.1(4) . . ?
C65 B28 B29 121.5(3) . . ?
B23 B28 B29 59.5(3) . . ?
C65 B28 B27 121.3(4) . . ?
B23 B28 B27 59.8(3) . . ?
B29 B28 B27 107.8(3) . . ?
C65 B28 B32 122.8(4) . . ?
B23 B28 B32 107.4(3) . . ?
B29 B28 B32 107.8(3) . . ?
B27 B28 B32 60.1(3) . . ?
C65 B28 B33 123.1(4) . . ?
B23 B28 B33 107.0(3) . . ?
B29 B28 B33 59.8(2) . . ?
B27 B28 B33 107.8(3) . . ?
B32 B28 B33 59.9(2) . . ?
C66 B29 B23 120.4(3) . . ?
C66 B29 B24 121.0(4) . . ?
B23 B29 B24 59.9(3) . . ?
C66 B29 B30 122.6(4) . . ?
B23 B29 B30 107.5(3) . . ?
B24 B29 B30 59.2(3) . . ?
C66 B29 B28 121.6(4) . . ?
B23 B29 B28 59.9(3) . . ?
B24 B29 B28 107.9(3) . . ?
B30 B29 B28 108.5(3) . . ?
C66 B29 B33 123.5(4) . . ?
B23 B29 B33 107.8(3) . . ?
B24 B29 B33 107.3(3) . . ?
B30 B29 B33 60.2(2) . . ?
B28 B29 B33 60.4(3) . . ?
C67 B30 B24 119.3(4) . . ?
C67 B30 B25 121.1(4) . . ?
B24 B30 B25 60.1(3) . . ?
C67 B30 B29 120.6(3) . . ?
B24 B30 B29 60.1(3) . . ?
B25 B30 B29 108.3(3) . . ?
C67 B30 B33 123.7(4) . . ?
B24 B30 B33 107.9(3) . . ?
B25 B30 B33 107.8(3) . . ?
B29 B30 B33 60.0(3) . . ?
C67 B30 B31 124.0(3) . . ?
B24 B30 B31 107.8(3) . . ?
B25 B30 B31 59.8(2) . . ?
B29 B30 B31 108.0(3) . . ?
B33 B30 B31 59.8(2) . . ?
C68 B31 B26 120.9(3) . . ?
C68 B31 B25 121.4(4) . . ?
B26 B31 B25 60.1(3) . . ?
C68 B31 B33 122.6(4) . . ?
B26 B31 B33 107.9(3) . . ?
B25 B31 B33 107.8(3) . . ?
C68 B31 B32 121.7(4) . . ?
B26 B31 B32 59.9(3) . . ?
B25 B31 B32 107.8(3) . . ?
B33 B31 B32 60.0(2) . . ?
C68 B31 B30 122.6(3) . . ?
B26 B31 B30 107.7(3) . . ?
B25 B31 B30 59.7(3) . . ?
B33 B31 B30 59.9(2) . . ?
B32 B31 B30 107.7(3) . . ?
C69 B32 B26 122.5(3) . . ?
C69 B32 B33 121.2(4) . . ?
B26 B32 B33 107.7(3) . . ?
C69 B32 B28 121.0(4) . . ?
B26 B32 B28 108.1(3) . . ?
B33 B32 B28 60.2(2) . . ?
C69 B32 B27 122.0(4) . . ?
B26 B32 B27 60.2(3) . . ?
B33 B32 B27 108.0(3) . . ?
B28 B32 B27 60.0(3) . . ?
C69 B32 B31 122.0(4) . . ?
B26 B32 B31 59.8(3) . . ?
B33 B32 B31 59.8(2) . . ?
B28 B32 B31 108.1(3) . . ?
B27 B32 B31 107.9(3) . . ?
C70 B33 B29 122.8(3) . . ?
C70 B33 B31 120.8(3) . . ?
B29 B33 B31 108.2(3) . . ?
C70 B33 B30 122.3(3) . . ?
B29 B33 B30 59.8(2) . . ?
B31 B33 B30 60.3(2) . . ?
C70 B33 B32 120.7(3) . . ?
B29 B33 B32 107.8(3) . . ?
B31 B33 B32 60.2(2) . . ?
B30 B33 B32 108.2(3) . . ?
C70 B33 B28 121.8(4) . . ?
B29 B33 B28 59.8(3) . . ?
B31 B33 B28 108.2(3) . . ?
B30 B33 B28 107.8(3) . . ?
B32 B33 B28 59.9(2) . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
B23 C60 H60A 109.5 . . ?
B23 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
B23 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
B24 C61 H61A 109.5 . . ?
B24 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
B24 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
B25 C62 H62A 109.5 . . ?
B25 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
B25 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
B26 C63 H63A 109.5 . . ?
B26 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
B26 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
B27 C64 H64A 109.5 . . ?
B27 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
B27 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
B28 C65 H65A 109.5 . . ?
B28 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
B28 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
B29 C66 H66A 109.5 . . ?
B29 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
B29 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
B30 C67 H67A 109.5 . . ?
B30 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
B30 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
B31 C68 H68A 109.5 . . ?
B31 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
B31 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
B32 C69 H69A 109.5 . . ?
B32 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
B32 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
B33 C70 H70A 109.5 . . ?
B33 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
B33 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C32 C31 B4 121.2(7) . . ?
C32 C31 B3 120.9(8) . . ?
B4 C31 B3 61.2(4) . . ?
C32 C31 B2 119.7(7) . . ?
B4 C31 B2 110.6(6) . . ?
B3 C31 B2 61.0(4) . . ?
C32 C31 B5 119.3(8) . . ?
B4 C31 B5 61.3(4) . . ?
B3 C31 B5 111.3(5) . . ?
B2 C31 B5 111.2(5) . . ?
C32 C31 B1 118.8(8) . . ?
B4 C31 B1 110.6(5) . . ?
B3 C31 B1 111.0(6) . . ?
B2 C31 B1 61.4(4) . . ?
B5 C31 B1 61.1(4) . . ?
C33 B1 C31 121.4(7) . . ?
C33 B1 B7 123.2(7) . . ?
C31 B1 B7 106.0(5) . . ?
C33 B1 B6 123.3(6) . . ?
C31 B1 B6 106.7(5) . . ?
B7 B1 B6 60.8(4) . . ?
C33 B1 B5 121.2(7) . . ?
C31 B1 B5 59.4(4) . . ?
B7 B1 B5 108.5(5) . . ?
B6 B1 B5 60.2(4) . . ?
C33 B1 B2 120.8(6) . . ?
C31 B1 B2 59.2(4) . . ?
B7 B1 B2 59.4(4) . . ?
B6 B1 B2 108.3(5) . . ?
B5 B1 B2 108.0(5) . . ?
C34 B2 C31 121.7(7) . . ?
C34 B2 B7 122.6(7) . . ?
C31 B2 B7 106.2(5) . . ?
C34 B2 B8 124.0(7) . . ?
C31 B2 B8 106.4(5) . . ?
B7 B2 B8 60.2(4) . . ?
C34 B2 B3 122.0(7) . . ?
C31 B2 B3 59.4(4) . . ?
B7 B2 B3 108.3(5) . . ?
B8 B2 B3 60.1(4) . . ?
C34 B2 B1 120.3(7) . . ?
C31 B2 B1 59.4(4) . . ?
B7 B2 B1 59.5(4) . . ?
B8 B2 B1 107.7(5) . . ?
B3 B2 B1 108.1(5) . . ?
C35 B3 C31 120.5(7) . . ?
C35 B3 B8 124.4(7) . . ?
C31 B3 B8 106.1(5) . . ?
C35 B3 B2 120.5(7) . . ?
C31 B3 B2 59.5(4) . . ?
B8 B3 B2 59.7(4) . . ?
C35 B3 B4 121.3(7) . . ?
C31 B3 B4 59.3(4) . . ?
B8 B3 B4 107.4(5) . . ?
B2 B3 B4 107.9(5) . . ?
C35 B3 B9 124.3(7) . . ?
C31 B3 B9 106.4(5) . . ?
B8 B3 B9 60.0(4) . . ?
B2 B3 B9 108.0(5) . . ?
B4 B3 B9 59.7(4) . . ?
C36 B4 C31 120.5(7) . . ?
C36 B4 B9 123.7(7) . . ?
C31 B4 B9 106.9(5) . . ?
C36 B4 B3 120.6(7) . . ?
C31 B4 B3 59.4(4) . . ?
B9 B4 B3 60.3(4) . . ?
C36 B4 B10 123.5(7) . . ?
C31 B4 B10 107.0(5) . . ?
B9 B4 B10 60.2(4) . . ?
B3 B4 B10 108.6(5) . . ?
C36 B4 B5 120.4(7) . . ?
C31 B4 B5 59.5(4) . . ?
B9 B4 B5 108.7(5) . . ?
B3 B4 B5 108.4(5) . . ?
B10 B4 B5 60.4(4) . . ?
C37 B5 C31 121.1(7) . . ?
C37 B5 B1 120.1(7) . . ?
C31 B5 B1 59.5(4) . . ?
C37 B5 B4 122.4(7) . . ?
C31 B5 B4 59.2(4) . . ?
B1 B5 B4 107.7(5) . . ?
C37 B5 B6 123.0(7) . . ?
C31 B5 B6 106.4(5) . . ?
B1 B5 B6 59.7(4) . . ?
B4 B5 B6 107.7(5) . . ?
C37 B5 B10 124.4(7) . . ?
C31 B5 B10 106.3(5) . . ?
B1 B5 B10 107.7(5) . . ?
B4 B5 B10 59.8(4) . . ?
B6 B5 B10 60.1(4) . . ?
C38 B6 B1 120.8(7) . . ?
C38 B6 B11 122.7(7) . . ?
B1 B6 B11 107.4(5) . . ?
C38 B6 B5 121.7(7) . . ?
B1 B6 B5 60.1(4) . . ?
B11 B6 B5 107.8(5) . . ?
C38 B6 B7 121.8(7) . . ?
B1 B6 B7 59.2(4) . . ?
B11 B6 B7 59.7(4) . . ?
B5 B6 B7 107.2(5) . . ?
C38 B6 B10 122.7(7) . . ?
B1 B6 B10 108.2(5) . . ?
B11 B6 B10 59.9(4) . . ?
B5 B6 B10 60.2(4) . . ?
B7 B6 B10 107.5(5) . . ?
C39 B7 B1 120.8(7) . . ?
C39 B7 B2 121.1(7) . . ?
B1 B7 B2 61.1(4) . . ?
C39 B7 B8 122.1(7) . . ?
B1 B7 B8 108.8(5) . . ?
B2 B7 B8 60.0(4) . . ?
C39 B7 B11 121.9(7) . . ?
B1 B7 B11 108.2(5) . . ?
B2 B7 B11 108.4(5) . . ?
B8 B7 B11 60.0(4) . . ?
C39 B7 B6 121.1(7) . . ?
B1 B7 B6 60.0(4) . . ?
B2 B7 B6 109.0(5) . . ?
B8 B7 B6 108.2(5) . . ?
B11 B7 B6 60.0(4) . . ?
C40 B8 B2 120.3(7) . . ?
C40 B8 B7 121.5(7) . . ?
B2 B8 B7 59.7(4) . . ?
C40 B8 B3 121.0(7) . . ?
B2 B8 B3 60.2(4) . . ?
B7 B8 B3 108.0(5) . . ?
C40 B8 B11 122.5(7) . . ?
B2 B8 B11 108.3(5) . . ?
B7 B8 B11 60.2(4) . . ?
B3 B8 B11 108.6(5) . . ?
C40 B8 B9 122.2(7) . . ?
B2 B8 B9 108.7(5) . . ?
B7 B8 B9 108.5(5) . . ?
B3 B8 B9 60.3(4) . . ?
B11 B8 B9 60.3(4) . . ?
C41 B9 B4 120.8(7) . . ?
C41 B9 B8 122.5(7) . . ?
B4 B9 B8 107.3(5) . . ?
C41 B9 B3 120.5(7) . . ?
B4 B9 B3 60.0(4) . . ?
B8 B9 B3 59.6(4) . . ?
C41 B9 B10 122.2(7) . . ?
B4 B9 B10 60.0(4) . . ?
B8 B9 B10 107.7(5) . . ?
B3 B9 B10 108.2(5) . . ?
C41 B9 B11 123.7(7) . . ?
B4 B9 B11 107.5(5) . . ?
B8 B9 B11 59.7(4) . . ?
B3 B9 B11 107.5(5) . . ?
B10 B9 B11 59.9(4) . . ?
C42 B10 B4 121.4(7) . . ?
C42 B10 B11 123.1(7) . . ?
B4 B10 B11 107.3(5) . . ?
C42 B10 B9 122.0(7) . . ?
B4 B10 B9 59.7(4) . . ?
B11 B10 B9 60.1(4) . . ?
C42 B10 B6 122.1(7) . . ?
B4 B10 B6 107.5(5) . . ?
B11 B10 B6 59.9(4) . . ?
B9 B10 B6 108.1(5) . . ?
C42 B10 B5 121.1(7) . . ?
B4 B10 B5 59.8(4) . . ?
B11 B10 B5 107.4(5) . . ?
B9 B10 B5 107.8(5) . . ?
B6 B10 B5 59.7(4) . . ?
C43 B11 B8 121.8(7) . . ?
C43 B11 B7 120.1(7) . . ?
B8 B11 B7 59.7(4) . . ?
C43 B11 B6 120.2(7) . . ?
B8 B11 B6 108.3(5) . . ?
B7 B11 B6 60.3(4) . . ?
C43 B11 B10 122.6(7) . . ?
B8 B11 B10 108.1(5) . . ?
B7 B11 B10 108.2(5) . . ?
B6 B11 B10 60.2(4) . . ?
C43 B11 B9 123.5(7) . . ?
B8 B11 B9 60.0(4) . . ?
B7 B11 B9 107.8(5) . . ?
B6 B11 B9 108.3(5) . . ?
B10 B11 B9 60.0(4) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
B1 C33 H33A 109.5 . . ?
B1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
B1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
B2 C34 H34A 109.5 . . ?
B2 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
B2 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
B3 C35 H35A 109.5 . . ?
B3 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
B3 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
B4 C36 H36A 109.5 . . ?
B4 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
B4 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
B5 C37 H37A 109.5 . . ?
B5 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
B5 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
B6 C38 H38A 109.5 . . ?
B6 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
B6 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
B7 C39 H39A 109.5 . . ?
B7 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
B7 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
B8 C40 H40A 109.5 . . ?
B8 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
B8 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
B9 C41 H41A 109.5 . . ?
B9 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
B9 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
B10 C42 H42A 109.5 . . ?
B10 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
B10 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
B11 C43 H43A 109.5 . . ?
B11 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
B11 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C32B C31B B4B 119.0(8) . . ?
C32B C31B B3B 118.8(8) . . ?
B4B C31B B3B 61.0(5) . . ?
C32B C31B B2B 120.9(8) . . ?
B4B C31B B2B 110.2(6) . . ?
B3B C31B B2B 60.9(5) . . ?
C32B C31B B1B 122.0(8) . . ?
B4B C31B B1B 110.1(6) . . ?
B3B C31B B1B 110.6(6) . . ?
B2B C31B B1B 61.3(5) . . ?
C32B C31B B5B 120.3(8) . . ?
B4B C31B B5B 61.0(5) . . ?
B3B C31B B5B 110.9(6) . . ?
B2B C31B B5B 110.9(6) . . ?
B1B C31B B5B 61.0(5) . . ?
C33B B1B C31B 119.9(8) . . ?
C33B B1B B7B 124.4(8) . . ?
C31B B1B B7B 106.4(5) . . ?
C33B B1B B6B 124.0(7) . . ?
C31B B1B B6B 107.0(5) . . ?
B7B B1B B6B 60.6(4) . . ?
C33B B1B B5B 120.6(8) . . ?
C31B B1B B5B 59.7(4) . . ?
B7B B1B B5B 108.2(5) . . ?
B6B B1B B5B 60.0(4) . . ?
C33B B1B B2B 120.4(7) . . ?
C31B B1B B2B 59.3(4) . . ?
B7B B1B B2B 59.8(4) . . ?
B6B B1B B2B 108.6(6) . . ?
B5B B1B B2B 108.2(5) . . ?
C34B B2B C31B 122.6(8) . . ?
C34B B2B B8B 123.4(8) . . ?
C31B B2B B8B 106.0(6) . . ?
C34B B2B B7B 122.3(7) . . ?
C31B B2B B7B 106.3(6) . . ?
B8B B2B B7B 59.7(5) . . ?
C34B B2B B3B 121.8(7) . . ?
C31B B2B B3B 59.5(4) . . ?
B8B B2B B3B 59.9(4) . . ?
B7B B2B B3B 108.0(6) . . ?
C34B B2B B1B 121.2(8) . . ?
C31B B2B B1B 59.4(5) . . ?
B8B B2B B1B 107.1(6) . . ?
B7B B2B B1B 59.6(5) . . ?
B3B B2B B1B 107.9(5) . . ?
C35B B3B C31B 122.7(8) . . ?
C35B B3B B8B 123.3(8) . . ?
C31B B3B B8B 106.1(6) . . ?
C35B B3B B2B 121.9(8) . . ?
C31B B3B B2B 59.6(4) . . ?
B8B B3B B2B 59.8(5) . . ?
C35B B3B B4B 121.4(8) . . ?
C31B B3B B4B 59.5(4) . . ?
B8B B3B B4B 106.8(6) . . ?
B2B B3B B4B 107.9(6) . . ?
C35B B3B B9B 122.1(8) . . ?
C31B B3B B9B 106.4(6) . . ?
B8B B3B B9B 59.8(5) . . ?
B2B B3B B9B 108.0(6) . . ?
B4B B3B B9B 59.4(5) . . ?
C36B B4B C31B 122.2(8) . . ?
C36B B4B B9B 120.8(8) . . ?
C31B B4B B9B 107.3(6) . . ?
C36B B4B B10B 122.8(7) . . ?
C31B B4B B10B 107.4(6) . . ?
B9B B4B B10B 60.6(4) . . ?
C36B B4B B3B 119.3(8) . . ?
C31B B4B B3B 59.5(4) . . ?
B9B B4B B3B 60.5(5) . . ?
B10B B4B B3B 109.1(6) . . ?
C36B B4B B5B 122.8(8) . . ?
C31B B4B B5B 59.8(4) . . ?
B9B B4B B5B 108.7(6) . . ?
B10B B4B B5B 60.2(5) . . ?
B3B B4B B5B 108.6(5) . . ?
C37B B5B C31B 122.2(8) . . ?
C37B B5B B6B 123.1(8) . . ?
C31B B5B B6B 106.6(6) . . ?
C37B B5B B10B 122.0(8) . . ?
C31B B5B B10B 106.6(6) . . ?
B6B B5B B10B 60.3(4) . . ?
C37B B5B B4B 121.0(8) . . ?
C31B B5B B4B 59.3(4) . . ?
B6B B5B B4B 107.7(6) . . ?
B10B B5B B4B 59.7(4) . . ?
C37B B5B B1B 122.5(8) . . ?
C31B B5B B1B 59.4(4) . . ?
B6B B5B B1B 59.8(5) . . ?
B10B B5B B1B 107.9(6) . . ?
B4B B5B B1B 107.4(6) . . ?
C38B B6B B1B 122.0(8) . . ?
C38B B6B B5B 122.7(8) . . ?
B1B B6B B5B 60.2(5) . . ?
C38B B6B B11B 121.4(8) . . ?
B1B B6B B11B 107.6(6) . . ?
B5B B6B B11B 107.4(6) . . ?
C38B B6B B7B 121.4(8) . . ?
B1B B6B B7B 59.5(5) . . ?
B5B B6B B7B 107.5(6) . . ?
B11B B6B B7B 60.0(5) . . ?
C38B B6B B10B 122.3(8) . . ?
B1B B6B B10B 107.9(6) . . ?
B5B B6B B10B 59.9(4) . . ?
B11B B6B B10B 59.5(5) . . ?
B7B B6B B10B 107.4(6) . . ?
C39B B7B B8B 121.3(7) . . ?
C39B B7B B1B 122.4(7) . . ?
B8B B7B B1B 108.1(5) . . ?
C39B B7B B2B 121.6(7) . . ?
B8B B7B B2B 60.0(4) . . ?
B1B B7B B2B 60.7(4) . . ?
C39B B7B B11B 121.1(7) . . ?
B8B B7B B11B 60.1(4) . . ?
B1B B7B B11B 107.8(5) . . ?
B2B B7B B11B 108.4(5) . . ?
C39B B7B B6B 121.6(7) . . ?
B8B B7B B6B 108.0(5) . . ?
B1B B7B B6B 59.9(4) . . ?
B2B B7B B6B 108.7(6) . . ?
B11B B7B B6B 59.8(4) . . ?
C40B B8B B7B 122.5(8) . . ?
C40B B8B B2B 123.3(8) . . ?
B7B B8B B2B 60.3(4) . . ?
C40B B8B B3B 121.2(7) . . ?
B7B B8B B3B 108.8(6) . . ?
B2B B8B B3B 60.3(4) . . ?
C40B B8B B9B 118.9(8) . . ?
B7B B8B B9B 109.0(5) . . ?
B2B B8B B9B 109.1(5) . . ?
B3B B8B B9B 60.6(4) . . ?
C40B B8B B11B 119.8(7) . . ?
B7B B8B B11B 60.6(4) . . ?
B2B B8B B11B 109.0(5) . . ?
B3B B8B B11B 108.9(6) . . ?
B9B B8B B11B 60.2(4) . . ?
C41B B9B B4B 122.9(7) . . ?
C41B B9B B8B 121.3(8) . . ?
B4B B9B B8B 107.3(5) . . ?
C41B B9B B11B 121.3(7) . . ?
B4B B9B B11B 107.5(5) . . ?
B8B B9B B11B 60.1(4) . . ?
C41B B9B B3B 121.6(7) . . ?
B4B B9B B3B 60.1(4) . . ?
B8B B9B B3B 59.7(4) . . ?
B11B B9B B3B 108.1(6) . . ?
C41B B9B B10B 122.2(7) . . ?
B4B B9B B10B 60.0(4) . . ?
B8B B9B B10B 107.7(5) . . ?
B11B B9B B10B 59.6(4) . . ?
B3B B9B B10B 108.4(5) . . ?
C42B B10B B11B 123.0(8) . . ?
C42B B10B B4B 120.6(8) . . ?
B11B B10B B4B 107.3(6) . . ?
C42B B10B B5B 121.6(8) . . ?
B11B B10B B5B 107.7(6) . . ?
B4B B10B B5B 60.1(5) . . ?
C42B B10B B9B 121.0(8) . . ?
B11B B10B B9B 60.0(5) . . ?
B4B B10B B9B 59.4(5) . . ?
B5B B10B B9B 107.7(6) . . ?
C42B B10B B6B 123.3(8) . . ?
B11B B10B B6B 60.0(4) . . ?
B4B B10B B6B 107.6(6) . . ?
B5B B10B B6B 59.7(5) . . ?
B9B B10B B6B 107.9(6) . . ?
C43B B11B B10B 121.9(7) . . ?
C43B B11B B8B 121.4(7) . . ?
B10B B11B B8B 107.9(6) . . ?
C43B B11B B9B 121.1(7) . . ?
B10B B11B B9B 60.4(5) . . ?
B8B B11B B9B 59.7(4) . . ?
C43B B11B B6B 122.3(7) . . ?
B10B B11B B6B 60.5(4) . . ?
B8B B11B B6B 107.6(6) . . ?
B9B B11B B6B 108.6(6) . . ?
C43B B11B B7B 122.0(7) . . ?
B10B B11B B7B 108.3(6) . . ?
B8B B11B B7B 59.3(4) . . ?
B9B B11B B7B 107.5(5) . . ?
B6B B11B B7B 60.2(4) . . ?
C31B C32B H32D 109.5 . . ?
C31B C32B H32E 109.5 . . ?
H32D C32B H32E 109.5 . . ?
C31B C32B H32F 109.5 . . ?
H32D C32B H32F 109.5 . . ?
H32E C32B H32F 109.5 . . ?
B1B C33B H33D 109.5 . . ?
B1B C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
B1B C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
B2B C34B H34D 109.5 . . ?
B2B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
B2B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
B3B C35B H35D 109.5 . . ?
B3B C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
B3B C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
B4B C36B H36D 109.5 . . ?
B4B C36B H36E 109.5 . . ?
H36D C36B H36E 109.5 . . ?
B4B C36B H36F 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 109.5 . . ?
B5B C37B H37D 109.5 . . ?
B5B C37B H37E 109.5 . . ?
H37D C37B H37E 109.5 . . ?
B5B C37B H37F 109.5 . . ?
H37D C37B H37F 109.5 . . ?
H37E C37B H37F 109.5 . . ?
B6B C38B H38D 109.5 . . ?
B6B C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
B6B C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
B7B C39B H39D 109.5 . . ?
B7B C39B H39E 109.5 . . ?
H39D C39B H39E 109.5 . . ?
B7B C39B H39F 109.5 . . ?
H39D C39B H39F 109.5 . . ?
H39E C39B H39F 109.5 . . ?
B8B C40B H40D 109.5 . . ?
B8B C40B H40E 109.5 . . ?
H40D C40B H40E 109.5 . . ?
B8B C40B H40F 109.5 . . ?
H40D C40B H40F 109.5 . . ?
H40E C40B H40F 109.5 . . ?
B9B C41B H41D 109.5 . . ?
B9B C41B H41E 109.5 . . ?
H41D C41B H41E 109.5 . . ?
B9B C41B H41F 109.5 . . ?
H41D C41B H41F 109.5 . . ?
H41E C41B H41F 109.5 . . ?
B10B C42B H42D 109.5 . . ?
B10B C42B H42E 109.5 . . ?
H42D C42B H42E 109.5 . . ?
B10B C42B H42F 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
B11B C43B H43D 109.5 . . ?
B11B C43B H43E 109.5 . . ?
H43D C43B H43E 109.5 . . ?
B11B C43B H43F 109.5 . . ?
H43D C43B H43F 109.5 . . ?
H43E C43B H43F 109.5 . . ?

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
C5 Se2 C1 C2 -173.6(4) . . . . ?
C5 Se2 C1 Se1 5.1(3) . . . . ?
C4 Se1 C1 C2 173.8(4) . . . . ?
C4 Se1 C1 Se2 -4.9(3) . . . . ?
Se2 C1 C2 Se4 -8.4(5) . . . . ?
Se1 C1 C2 Se4 173.0(2) . . . . ?
Se2 C1 C2 Se3 169.7(2) . . . . ?
Se1 C1 C2 Se3 -8.9(5) . . . . ?
C9 Se4 C2 C1 174.9(4) . . . . ?
C9 Se4 C2 Se3 -3.3(3) . . . . ?
C8 Se3 C2 C1 -175.3(4) . . . . ?
C8 Se3 C2 Se4 2.9(3) . . . . ?
C1 Se1 C4 C5 2.7(4) . . . . ?
C1 Se1 C4 C3 -178.9(4) . . . . ?
C3 C4 C5 C6 1.6(10) . . . . ?
Se1 C4 C5 C6 179.8(5) . . . . ?
C3 C4 C5 Se2 -177.7(5) . . . . ?
Se1 C4 C5 Se2 0.5(6) . . . . ?
C1 Se2 C5 C4 -3.5(4) . . . . ?
C1 Se2 C5 C6 177.2(4) . . . . ?
C2 Se3 C8 C9 -1.2(4) . . . . ?
C2 Se3 C8 C7 179.1(4) . . . . ?
C7 C8 C9 C10 1.3(8) . . . . ?
Se3 C8 C9 C10 -178.5(4) . . . . ?
C7 C8 C9 Se4 178.7(4) . . . . ?
Se3 C8 C9 Se4 -1.0(5) . . . . ?
C2 Se4 C9 C8 2.6(4) . . . . ?
C2 Se4 C9 C10 -179.6(4) . . . . ?
C14 Se5 C11 C12 -174.3(4) . . . . ?
C14 Se5 C11 Se6 3.4(2) . . . . ?
C15 Se6 C11 C12 174.0(4) . . . . ?
C15 Se6 C11 Se5 -3.7(2) . . . . ?
Se5 C11 C12 Se8 171.5(2) . . . . ?
Se6 C11 C12 Se8 -6.1(5) . . . . ?
Se5 C11 C12 Se7 -6.1(5) . . . . ?
Se6 C11 C12 Se7 176.4(2) . . . . ?
C19 Se8 C12 C11 -175.3(4) . . . . ?
C19 Se8 C12 Se7 2.5(2) . . . . ?
C18 Se7 C12 C11 174.6(4) . . . . ?
C18 Se7 C12 Se8 -3.1(2) . . . . ?
C11 Se5 C14 C15 -1.6(4) . . . . ?
C11 Se5 C14 C13 179.7(3) . . . . ?
C13 C14 C15 C16 -1.3(8) . . . . ?
Se5 C14 C15 C16 -179.8(4) . . . . ?
C13 C14 C15 Se6 177.7(4) . . . . ?
Se5 C14 C15 Se6 -0.8(5) . . . . ?
C11 Se6 C15 C14 2.8(4) . . . . ?
C11 Se6 C15 C16 -178.1(4) . . . . ?
C12 Se7 C18 C19 3.0(4) . . . . ?
C12 Se7 C18 C17 -178.6(4) . . . . ?
C17 C18 C19 C20 -0.1(8) . . . . ?
Se7 C18 C19 C20 178.2(4) . . . . ?
C17 C18 C19 Se8 180.0(4) . . . . ?
Se7 C18 C19 Se8 -1.7(5) . . . . ?
C12 Se8 C19 C18 -0.5(4) . . . . ?
C12 Se8 C19 C20 179.6(4) . . . . ?
C25 Se10 C21 C22 -175.0(4) . . . . ?
C25 Se10 C21 Se9 2.1(3) . . . . ?
C24 Se9 C21 C22 175.3(4) . . . . ?
C24 Se9 C21 Se10 -1.9(3) . . . . ?
Se10 C21 C22 Se11 177.7(2) . . . . ?
Se9 C21 C22 Se11 0.8(6) . . . . ?
Se10 C21 C22 Se12 -2.6(6) . . . . ?
Se9 C21 C22 Se12 -179.4(2) . . . . ?
C28 Se11 C22 C21 -178.6(4) . . . . ?
C28 Se11 C22 Se12 1.6(3) . . . . ?
C29 Se12 C22 C21 178.9(4) . . . . ?
C29 Se12 C22 Se11 -1.3(3) . . . . ?
C21 Se9 C24 C25 0.7(5) . . . . ?
C21 Se9 C24 C23 -177.9(4) . . . . ?
C23 C24 C25 C26 -2.3(10) . . . . ?
Se9 C24 C25 C26 179.1(6) . . . . ?
C23 C24 C25 Se10 179.2(4) . . . . ?
Se9 C24 C25 Se10 0.6(7) . . . . ?
C22 Se11 C28 C29 -1.3(5) . . . . ?
C22 Se11 C28 C27 176.4(5) . . . . ?
C27 C28 C29 C30 1.8(10) . . . . ?
Se11 C28 C29 C30 179.3(4) . . . . ?
C27 C28 C29 Se12 -176.9(5) . . . . ?
Se11 C28 C29 Se12 0.6(6) . . . . ?
C22 Se12 C29 C28 0.5(4) . . . . ?
C22 Se12 C29 C30 -178.4(4) . . . . ?
C46 C45 B12 C47 0.7(7) . . . . ?
B14 C45 B12 C47 147.5(5) . . . . ?
B13 C45 B12 C47 110.4(5) . . . . ?
B16 C45 B12 C47 -110.2(5) . . . . ?
B15 C45 B12 C47 -147.7(5) . . . . ?
C46 C45 B12 B13 -109.7(5) . . . . ?
B14 C45 B12 B13 37.2(3) . . . . ?
B16 C45 B12 B13 139.4(4) . . . . ?
B15 C45 B12 B13 101.9(4) . . . . ?
C46 C45 B12 B18 -147.8(5) . . . . ?
B14 C45 B12 B18 -0.9(5) . . . . ?
B13 C45 B12 B18 -38.1(3) . . . . ?
B16 C45 B12 B18 101.4(4) . . . . ?
B15 C45 B12 B18 63.9(4) . . . . ?
C46 C45 B12 B16 110.9(5) . . . . ?
B14 C45 B12 B16 -102.3(4) . . . . ?
B13 C45 B12 B16 -139.4(4) . . . . ?
B15 C45 B12 B16 -37.5(3) . . . . ?
C46 C45 B12 B17 149.4(5) . . . . ?
B14 C45 B12 B17 -63.7(4) . . . . ?
B13 C45 B12 B17 -100.9(4) . . . . ?
B16 C45 B12 B17 38.5(3) . . . . ?
B15 C45 B12 B17 1.0(5) . . . . ?
C46 C45 B13 C48 -1.1(7) . . . . ?
B14 C45 B13 C48 108.7(5) . . . . ?
B12 C45 B13 C48 -112.0(5) . . . . ?
B16 C45 B13 C48 -149.2(5) . . . . ?
B15 C45 B13 C48 145.4(5) . . . . ?
C46 C45 B13 B12 110.8(5) . . . . ?
B14 C45 B13 B12 -139.4(4) . . . . ?
B16 C45 B13 B12 -37.3(3) . . . . ?
B15 C45 B13 B12 -102.6(4) . . . . ?
C46 C45 B13 B18 149.4(4) . . . . ?
B14 C45 B13 B18 -100.8(4) . . . . ?
B12 C45 B13 B18 38.6(3) . . . . ?
B16 C45 B13 B18 1.3(5) . . . . ?
B15 C45 B13 B18 -64.0(4) . . . . ?
C46 C45 B13 B14 -109.8(5) . . . . ?
B12 C45 B13 B14 139.4(4) . . . . ?
B16 C45 B13 B14 102.1(4) . . . . ?
B15 C45 B13 B14 36.8(3) . . . . ?
C46 C45 B13 B19 -147.2(4) . . . . ?
B14 C45 B13 B19 -37.4(3) . . . . ?
B12 C45 B13 B19 101.9(4) . . . . ?
B16 C45 B13 B19 64.7(4) . . . . ?
B15 C45 B13 B19 -0.6(5) . . . . ?
C47 B12 B13 C48 -1.7(7) . . . . ?
C45 B12 B13 C48 109.3(5) . . . . ?
B18 B12 B13 C48 -113.8(5) . . . . ?
B16 B12 B13 C48 145.3(4) . . . . ?
B17 B12 B13 C48 -150.9(4) . . . . ?
C47 B12 B13 C45 -110.9(5) . . . . ?
B18 B12 B13 C45 136.9(4) . . . . ?
B16 B12 B13 C45 36.1(3) . . . . ?
B17 B12 B13 C45 99.8(4) . . . . ?
C47 B12 B13 B18 112.1(5) . . . . ?
C45 B12 B13 B18 -136.9(4) . . . . ?
B16 B12 B13 B18 -100.9(4) . . . . ?
B17 B12 B13 B18 -37.1(3) . . . . ?
C47 B12 B13 B14 -147.2(4) . . . . ?
C45 B12 B13 B14 -36.2(3) . . . . ?
B18 B12 B13 B14 100.7(4) . . . . ?
B16 B12 B13 B14 -0.2(5) . . . . ?
B17 B12 B13 B14 63.6(4) . . . . ?
C47 B12 B13 B19 149.4(4) . . . . ?
C45 B12 B13 B19 -99.7(4) . . . . ?
B18 B12 B13 B19 37.3(3) . . . . ?
B16 B12 B13 B19 -63.6(4) . . . . ?
B17 B12 B13 B19 0.2(4) . . . . ?
C46 C45 B14 C49 1.1(7) . . . . ?
B13 C45 B14 C49 -109.1(5) . . . . ?
B12 C45 B14 C49 -146.1(4) . . . . ?
B16 C45 B14 C49 148.5(4) . . . . ?
B15 C45 B14 C49 111.2(5) . . . . ?
C46 C45 B14 B15 -110.1(5) . . . . ?
B13 C45 B14 B15 139.7(4) . . . . ?
B12 C45 B14 B15 102.7(4) . . . . ?
B16 C45 B14 B15 37.3(3) . . . . ?
C46 C45 B14 B19 147.9(4) . . . . ?
B13 C45 B14 B19 37.7(3) . . . . ?
B12 C45 B14 B19 0.7(5) . . . . ?
B16 C45 B14 B19 -64.7(4) . . . . ?
B15 C45 B14 B19 -102.0(4) . . . . ?
C46 C45 B14 B20 -148.7(4) . . . . ?
B13 C45 B14 B20 101.1(4) . . . . ?
B12 C45 B14 B20 64.1(4) . . . . ?
B16 C45 B14 B20 -1.3(4) . . . . ?
B15 C45 B14 B20 -38.6(3) . . . . ?
C46 C45 B14 B13 110.2(5) . . . . ?
B12 C45 B14 B13 -37.0(3) . . . . ?
B16 C45 B14 B13 -102.4(4) . . . . ?
B15 C45 B14 B13 -139.7(4) . . . . ?
C48 B13 B14 C49 0.2(7) . . . . ?
C45 B13 B14 C49 110.3(5) . . . . ?
B12 B13 B14 C49 146.7(4) . . . . ?
B18 B13 B14 C49 -149.3(5) . . . . ?
B19 B13 B14 C49 -111.8(5) . . . . ?
C48 B13 B14 C45 -110.1(5) . . . . ?
B12 B13 B14 C45 36.4(3) . . . . ?
B18 B13 B14 C45 100.4(4) . . . . ?
B19 B13 B14 C45 137.8(4) . . . . ?
C48 B13 B14 B15 -146.4(5) . . . . ?
C45 B13 B14 B15 -36.3(3) . . . . ?
B12 B13 B14 B15 0.1(5) . . . . ?
B18 B13 B14 B15 64.1(5) . . . . ?
B19 B13 B14 B15 101.6(4) . . . . ?
C48 B13 B14 B19 112.0(5) . . . . ?
C45 B13 B14 B19 -137.8(4) . . . . ?
B12 B13 B14 B19 -101.4(4) . . . . ?
B18 B13 B14 B19 -37.5(3) . . . . ?
C48 B13 B14 B20 149.3(5) . . . . ?
C45 B13 B14 B20 -100.6(4) . . . . ?
B12 B13 B14 B20 -64.2(4) . . . . ?
B18 B13 B14 B20 -0.2(5) . . . . ?
B19 B13 B14 B20 37.3(3) . . . . ?
C46 C45 B15 C50 -0.1(7) . . . . ?
B14 C45 B15 C50 -109.7(5) . . . . ?
B13 C45 B15 C50 -146.6(4) . . . . ?
B12 C45 B15 C50 148.5(4) . . . . ?
B16 C45 B15 C50 111.0(5) . . . . ?
C46 C45 B15 B14 109.6(5) . . . . ?
B13 C45 B15 B14 -36.9(3) . . . . ?
B12 C45 B15 B14 -101.8(4) . . . . ?
B16 C45 B15 B14 -139.3(3) . . . . ?
C46 C45 B15 B20 147.5(5) . . . . ?
B14 C45 B15 B20 37.8(3) . . . . ?
B13 C45 B15 B20 0.9(5) . . . . ?
B12 C45 B15 B20 -63.9(4) . . . . ?
B16 C45 B15 B20 -101.5(4) . . . . ?
C46 C45 B15 B21 -149.4(5) . . . . ?
B14 C45 B15 B21 100.9(4) . . . . ?
B13 C45 B15 B21 64.0(4) . . . . ?
B12 C45 B15 B21 -0.8(5) . . . . ?
B16 C45 B15 B21 -38.4(3) . . . . ?
C46 C45 B15 B16 -111.1(5) . . . . ?
B14 C45 B15 B16 139.3(3) . . . . ?
B13 C45 B15 B16 102.4(4) . . . . ?
B12 C45 B15 B16 37.5(3) . . . . ?
C49 B14 B15 C50 1.1(7) . . . . ?
C45 B14 B15 C50 111.0(5) . . . . ?
B19 B14 B15 C50 -149.0(5) . . . . ?
B20 B14 B15 C50 -111.9(5) . . . . ?
B13 B14 B15 C50 147.0(5) . . . . ?
C49 B14 B15 C45 -109.9(5) . . . . ?
B19 B14 B15 C45 100.0(4) . . . . ?
B20 B14 B15 C45 137.1(3) . . . . ?
B13 B14 B15 C45 36.1(3) . . . . ?
C49 B14 B15 B20 112.9(5) . . . . ?
C45 B14 B15 B20 -137.1(3) . . . . ?
B19 B14 B15 B20 -37.2(3) . . . . ?
B13 B14 B15 B20 -101.1(4) . . . . ?
C49 B14 B15 B21 150.7(5) . . . . ?
C45 B14 B15 B21 -99.4(4) . . . . ?
B19 B14 B15 B21 0.6(5) . . . . ?
B20 B14 B15 B21 37.8(3) . . . . ?
B13 B14 B15 B21 -63.3(4) . . . . ?
C49 B14 B15 B16 -146.0(5) . . . . ?
C45 B14 B15 B16 -36.1(3) . . . . ?
B19 B14 B15 B16 63.9(4) . . . . ?
B20 B14 B15 B16 101.1(4) . . . . ?
B13 B14 B15 B16 0.0(5) . . . . ?
C46 C45 B16 C51 -0.4(7) . . . . ?
B14 C45 B16 C51 -147.5(4) . . . . ?
B13 C45 B16 C51 147.4(4) . . . . ?
B12 C45 B16 C51 110.4(5) . . . . ?
B15 C45 B16 C51 -110.4(5) . . . . ?
C46 C45 B16 B21 148.4(4) . . . . ?
B14 C45 B16 B21 1.3(4) . . . . ?
B13 C45 B16 B21 -63.8(4) . . . . ?
B12 C45 B16 B21 -100.8(4) . . . . ?
B15 C45 B16 B21 38.4(3) . . . . ?
C46 C45 B16 B12 -110.8(5) . . . . ?
B14 C45 B16 B12 102.2(4) . . . . ?
B13 C45 B16 B12 37.0(3) . . . . ?
B15 C45 B16 B12 139.2(4) . . . . ?
C46 C45 B16 B15 110.0(5) . . . . ?
B14 C45 B16 B15 -37.1(3) . . . . ?
B13 C45 B16 B15 -102.2(4) . . . . ?
B12 C45 B16 B15 -139.2(4) . . . . ?
C46 C45 B16 B17 -148.9(4) . . . . ?
B14 C45 B16 B17 64.0(4) . . . . ?
B13 C45 B16 B17 -1.1(5) . . . . ?
B12 C45 B16 B17 -38.2(3) . . . . ?
B15 C45 B16 B17 101.1(4) . . . . ?
C47 B12 B16 C51 1.4(7) . . . . ?
C45 B12 B16 C51 -109.6(5) . . . . ?
B13 B12 B16 C51 -145.7(4) . . . . ?
B18 B12 B16 C51 151.1(4) . . . . ?
B17 B12 B16 C51 113.6(5) . . . . ?
C47 B12 B16 C45 111.0(5) . . . . ?
B13 B12 B16 C45 -36.1(3) . . . . ?
B18 B12 B16 C45 -99.3(4) . . . . ?
B17 B12 B16 C45 -136.8(4) . . . . ?
C47 B12 B16 B21 -149.5(4) . . . . ?
C45 B12 B16 B21 99.5(4) . . . . ?
B13 B12 B16 B21 63.4(4) . . . . ?
B18 B12 B16 B21 0.2(5) . . . . ?
B17 B12 B16 B21 -37.3(3) . . . . ?
C47 B12 B16 B15 147.2(4) . . . . ?
C45 B12 B16 B15 36.2(3) . . . . ?
B13 B12 B16 B15 0.2(4) . . . . ?
B18 B12 B16 B15 -63.1(4) . . . . ?
B17 B12 B16 B15 -100.5(4) . . . . ?
C47 B12 B16 B17 -112.3(5) . . . . ?
C45 B12 B16 B17 136.8(3) . . . . ?
B13 B12 B16 B17 100.7(4) . . . . ?
B18 B12 B16 B17 37.5(3) . . . . ?
C50 B15 B16 C51 -0.9(7) . . . . ?
C45 B15 B16 C51 109.7(5) . . . . ?
B14 B15 B16 C51 145.8(5) . . . . ?
B20 B15 B16 C51 -151.1(4) . . . . ?
B21 B15 B16 C51 -113.7(5) . . . . ?
C50 B15 B16 C45 -110.6(5) . . . . ?
B14 B15 B16 C45 36.1(3) . . . . ?
B20 B15 B16 C45 99.2(4) . . . . ?
B21 B15 B16 C45 136.6(3) . . . . ?
C50 B15 B16 B21 112.8(5) . . . . ?
C45 B15 B16 B21 -136.6(3) . . . . ?
B14 B15 B16 B21 -100.5(4) . . . . ?
B20 B15 B16 B21 -37.4(3) . . . . ?
C50 B15 B16 B12 -146.7(5) . . . . ?
C45 B15 B16 B12 -36.2(3) . . . . ?
B14 B15 B16 B12 -0.1(5) . . . . ?
B20 B15 B16 B12 63.0(4) . . . . ?
B21 B15 B16 B12 100.5(4) . . . . ?
C50 B15 B16 B17 150.2(5) . . . . ?
C45 B15 B16 B17 -99.3(4) . . . . ?
B14 B15 B16 B17 -63.2(4) . . . . ?
B20 B15 B16 B17 -0.1(5) . . . . ?
B21 B15 B16 B17 37.4(3) . . . . ?
C47 B12 B17 C52 -1.6(7) . . . . ?
C45 B12 B17 C52 -150.1(4) . . . . ?
B13 B12 B17 C52 147.2(4) . . . . ?
B18 B12 B17 C52 110.1(5) . . . . ?
B16 B12 B17 C52 -111.9(4) . . . . ?
C47 B12 B17 B18 -111.7(5) . . . . ?
C45 B12 B17 B18 99.9(4) . . . . ?
B13 B12 B17 B18 37.1(3) . . . . ?
B16 B12 B17 B18 138.0(3) . . . . ?
C47 B12 B17 B21 147.6(4) . . . . ?
C45 B12 B17 B21 -0.8(4) . . . . ?
B13 B12 B17 B21 -63.5(4) . . . . ?
B18 B12 B17 B21 -100.7(3) . . . . ?
B16 B12 B17 B21 37.3(3) . . . . ?
C47 B12 B17 B22 -148.8(4) . . . . ?
C45 B12 B17 B22 62.8(4) . . . . ?
B13 B12 B17 B22 0.0(4) . . . . ?
B18 B12 B17 B22 -37.1(3) . . . . ?
B16 B12 B17 B22 100.9(4) . . . . ?
C47 B12 B17 B16 110.3(5) . . . . ?
C45 B12 B17 B16 -38.1(3) . . . . ?
B13 B12 B17 B16 -100.9(3) . . . . ?
B18 B12 B17 B16 -138.0(3) . . . . ?
C51 B16 B17 C52 1.0(7) . . . . ?
C45 B16 B17 C52 148.3(4) . . . . ?
B21 B16 B17 C52 -111.6(5) . . . . ?
B12 B16 B17 C52 110.3(5) . . . . ?
B15 B16 B17 C52 -149.1(4) . . . . ?
C51 B16 B17 B18 -146.8(5) . . . . ?
C45 B16 B17 B18 0.5(4) . . . . ?
B21 B16 B17 B18 100.6(4) . . . . ?
B12 B16 B17 B18 -37.5(3) . . . . ?
B15 B16 B17 B18 63.2(4) . . . . ?
C51 B16 B17 B21 112.6(5) . . . . ?
C45 B16 B17 B21 -100.1(4) . . . . ?
B12 B16 B17 B21 -138.1(3) . . . . ?
B15 B16 B17 B21 -37.5(3) . . . . ?
C51 B16 B17 B22 149.9(5) . . . . ?
C45 B16 B17 B22 -62.8(4) . . . . ?
B21 B16 B17 B22 37.3(3) . . . . ?
B12 B16 B17 B22 -100.8(4) . . . . ?
B15 B16 B17 B22 -0.2(5) . . . . ?
C51 B16 B17 B12 -109.3(5) . . . . ?
C45 B16 B17 B12 38.0(3) . . . . ?
B21 B16 B17 B12 138.1(3) . . . . ?
B15 B16 B17 B12 100.6(4) . . . . ?
C48 B13 B18 C53 0.0(8) . . . . ?
C45 B13 B18 C53 -149.3(4) . . . . ?
B12 B13 B18 C53 -110.9(5) . . . . ?
B14 B13 B18 C53 147.8(4) . . . . ?
B19 B13 B18 C53 110.5(5) . . . . ?
C48 B13 B18 B19 -110.5(6) . . . . ?
C45 B13 B18 B19 100.2(4) . . . . ?
B12 B13 B18 B19 138.6(3) . . . . ?
B14 B13 B18 B19 37.3(3) . . . . ?
C48 B13 B18 B17 148.3(5) . . . . ?
C45 B13 B18 B17 -1.0(5) . . . . ?
B12 B13 B18 B17 37.4(3) . . . . ?
B14 B13 B18 B17 -63.9(4) . . . . ?
B19 B13 B18 B17 -101.2(4) . . . . ?
C48 B13 B18 B22 -147.9(5) . . . . ?
C45 B13 B18 B22 62.9(4) . . . . ?
B12 B13 B18 B22 101.2(4) . . . . ?
B14 B13 B18 B22 0.0(5) . . . . ?
B19 B13 B18 B22 -37.4(3) . . . . ?
C48 B13 B18 B12 110.9(6) . . . . ?
C45 B13 B18 B12 -38.4(3) . . . . ?
B14 B13 B18 B12 -101.2(4) . . . . ?
B19 B13 B18 B12 -138.6(3) . . . . ?
C52 B17 B18 C53 -0.9(7) . . . . ?
B21 B17 B18 C53 -149.3(4) . . . . ?
B22 B17 B18 C53 -111.4(5) . . . . ?
B12 B17 B18 C53 110.1(5) . . . . ?
B16 B17 B18 C53 147.5(4) . . . . ?
C52 B17 B18 B13 -148.1(4) . . . . ?
B21 B17 B18 B13 63.4(4) . . . . ?
B22 B17 B18 B13 101.4(4) . . . . ?
B12 B17 B18 B13 -37.1(3) . . . . ?
B16 B17 B18 B13 0.3(4) . . . . ?
C52 B17 B18 B19 148.3(4) . . . . ?
B21 B17 B18 B19 -0.2(4) . . . . ?
B22 B17 B18 B19 37.7(3) . . . . ?
B12 B17 B18 B19 -100.8(4) . . . . ?
B16 B17 B18 B19 -63.4(4) . . . . ?
C52 B17 B18 B22 110.5(4) . . . . ?
B21 B17 B18 B22 -37.9(3) . . . . ?
B12 B17 B18 B22 -138.5(3) . . . . ?
B16 B17 B18 B22 -101.1(4) . . . . ?
C52 B17 B18 B12 -111.0(4) . . . . ?
B21 B17 B18 B12 100.6(4) . . . . ?
B22 B17 B18 B12 138.5(3) . . . . ?
B16 B17 B18 B12 37.4(3) . . . . ?
C47 B12 B18 C53 -1.2(7) . . . . ?
C45 B12 B18 C53 146.9(5) . . . . ?
B13 B12 B18 C53 109.0(5) . . . . ?
B16 B12 B18 C53 -150.4(4) . . . . ?
B17 B12 B18 C53 -112.7(5) . . . . ?
C47 B12 B18 B13 -110.2(5) . . . . ?
C45 B12 B18 B13 38.0(3) . . . . ?
B16 B12 B18 B13 100.6(4) . . . . ?
B17 B12 B18 B13 138.3(3) . . . . ?
C47 B12 B18 B19 -147.3(5) . . . . ?
C45 B12 B18 B19 0.8(5) . . . . ?
B13 B12 B18 B19 -37.1(3) . . . . ?
B16 B12 B18 B19 63.5(4) . . . . ?
B17 B12 B18 B19 101.2(4) . . . . ?
C47 B12 B18 B17 111.5(5) . . . . ?
C45 B12 B18 B17 -100.4(4) . . . . ?
B13 B12 B18 B17 -138.3(3) . . . . ?
B16 B12 B18 B17 -37.7(3) . . . . ?
C47 B12 B18 B22 148.9(5) . . . . ?
C45 B12 B18 B22 -63.0(4) . . . . ?
B13 B12 B18 B22 -100.9(4) . . . . ?
B16 B12 B18 B22 -0.3(5) . . . . ?
B17 B12 B18 B22 37.4(3) . . . . ?
C49 B14 B19 C54 -1.6(7) . . . . ?
C45 B14 B19 C54 -148.0(5) . . . . ?
B15 B14 B19 C54 148.4(4) . . . . ?
B20 B14 B19 C54 111.0(5) . . . . ?
B13 B14 B19 C54 -110.6(5) . . . . ?
C49 B14 B19 B20 -112.6(5) . . . . ?
C45 B14 B19 B20 101.0(4) . . . . ?
B15 B14 B19 B20 37.4(3) . . . . ?
B13 B14 B19 B20 138.4(4) . . . . ?
C49 B14 B19 B18 146.2(5) . . . . ?
C45 B14 B19 B18 -0.1(5) . . . . ?
B15 B14 B19 B18 -63.8(4) . . . . ?
B20 B14 B19 B18 -101.2(4) . . . . ?
B13 B14 B19 B18 37.3(3) . . . . ?
C49 B14 B19 B13 109.0(5) . . . . ?
C45 B14 B19 B13 -37.4(3) . . . . ?
B15 B14 B19 B13 -101.0(4) . . . . ?
B20 B14 B19 B13 -138.4(4) . . . . ?
C49 B14 B19 B22 -150.3(5) . . . . ?
C45 B14 B19 B22 63.3(4) . . . . ?
B15 B14 B19 B22 -0.3(5) . . . . ?
B20 B14 B19 B22 -37.7(3) . . . . ?
B13 B14 B19 B22 100.7(4) . . . . ?
C53 B18 B19 C54 0.7(7) . . . . ?
B13 B18 B19 C54 110.0(5) . . . . ?
B17 B18 B19 C54 -149.2(4) . . . . ?
B22 B18 B19 C54 -111.5(5) . . . . ?
B12 B18 B19 C54 147.0(5) . . . . ?
C53 B18 B19 B14 -146.7(4) . . . . ?
B13 B18 B19 B14 -37.4(3) . . . . ?
B17 B18 B19 B14 63.3(4) . . . . ?
B22 B18 B19 B14 101.1(4) . . . . ?
B12 B18 B19 B14 -0.4(5) . . . . ?
C53 B18 B19 B20 149.8(4) . . . . ?
B13 B18 B19 B20 -100.8(4) . . . . ?
B17 B18 B19 B20 -0.1(5) . . . . ?
B22 B18 B19 B20 37.7(3) . . . . ?
B12 B18 B19 B20 -63.8(4) . . . . ?
C53 B18 B19 B13 -109.4(5) . . . . ?
B17 B18 B19 B13 100.7(4) . . . . ?
B22 B18 B19 B13 138.5(3) . . . . ?
B12 B18 B19 B13 36.9(3) . . . . ?
C53 B18 B19 B22 112.2(5) . . . . ?
B13 B18 B19 B22 -138.5(3) . . . . ?
B17 B18 B19 B22 -37.8(3) . . . . ?
B12 B18 B19 B22 -101.5(4) . . . . ?
C48 B13 B19 C54 2.1(7) . . . . ?
C45 B13 B19 C54 147.6(4) . . . . ?
B12 B13 B19 C54 -149.0(4) . . . . ?
B18 B13 B19 C54 -111.5(5) . . . . ?
B14 B13 B19 C54 110.3(5) . . . . ?
C48 B13 B19 B14 -108.2(5) . . . . ?
C45 B13 B19 B14 37.3(3) . . . . ?
B12 B13 B19 B14 100.7(4) . . . . ?
B18 B13 B19 B14 138.1(4) . . . . ?
C48 B13 B19 B20 -145.4(5) . . . . ?
C45 B13 B19 B20 0.1(5) . . . . ?
B12 B13 B19 B20 63.5(4) . . . . ?
B18 B13 B19 B20 100.9(4) . . . . ?
B14 B13 B19 B20 -37.2(3) . . . . ?
C48 B13 B19 B18 113.7(5) . . . . ?
C45 B13 B19 B18 -100.8(4) . . . . ?
B12 B13 B19 B18 -37.4(3) . . . . ?
B14 B13 B19 B18 -138.1(4) . . . . ?
C48 B13 B19 B22 150.8(5) . . . . ?
C45 B13 B19 B22 -63.7(4) . . . . ?
B12 B13 B19 B22 -0.3(4) . . . . ?
B18 B13 B19 B22 37.1(3) . . . . ?
B14 B13 B19 B22 -101.0(4) . . . . ?
C49 B14 B20 C55 0.5(7) . . . . ?
C45 B14 B20 C55 149.4(4) . . . . ?
B15 B14 B20 C55 111.1(5) . . . . ?
B19 B14 B20 C55 -110.2(5) . . . . ?
B13 B14 B20 C55 -147.5(4) . . . . ?
C49 B14 B20 B19 110.7(5) . . . . ?
C45 B14 B20 B19 -100.4(4) . . . . ?
B15 B14 B20 B19 -138.7(3) . . . . ?
B13 B14 B20 B19 -37.3(3) . . . . ?
C49 B14 B20 B15 -110.6(5) . . . . ?
C45 B14 B20 B15 38.3(3) . . . . ?
B19 B14 B20 B15 138.7(3) . . . . ?
B13 B14 B20 B15 101.4(4) . . . . ?
C49 B14 B20 B22 148.3(4) . . . . ?
C45 B14 B20 B22 -62.7(4) . . . . ?
B15 B14 B20 B22 -101.1(3) . . . . ?
B19 B14 B20 B22 37.7(3) . . . . ?
B13 B14 B20 B22 0.3(5) . . . . ?
C49 B14 B20 B21 -148.3(4) . . . . ?
C45 B14 B20 B21 0.7(4) . . . . ?
B15 B14 B20 B21 -37.7(3) . . . . ?
B19 B14 B20 B21 101.1(4) . . . . ?
B13 B14 B20 B21 63.7(4) . . . . ?
C54 B19 B20 C55 0.6(7) . . . . ?
B14 B19 B20 C55 110.7(5) . . . . ?
B18 B19 B20 C55 -148.8(4) . . . . ?
B13 B19 B20 C55 147.9(5) . . . . ?
B22 B19 B20 C55 -111.3(5) . . . . ?
C54 B19 B20 B14 -110.2(5) . . . . ?
B18 B19 B20 B14 100.4(4) . . . . ?
B13 B19 B20 B14 37.2(3) . . . . ?
B22 B19 B20 B14 138.0(3) . . . . ?
C54 B19 B20 B15 -146.9(4) . . . . ?
B14 B19 B20 B15 -36.8(3) . . . . ?
B18 B19 B20 B15 63.7(4) . . . . ?
B13 B19 B20 B15 0.4(5) . . . . ?
B22 B19 B20 B15 101.2(4) . . . . ?
C54 B19 B20 B22 111.8(5) . . . . ?
B14 B19 B20 B22 -138.0(3) . . . . ?
B18 B19 B20 B22 -37.5(3) . . . . ?
B13 B19 B20 B22 -100.8(4) . . . . ?
C54 B19 B20 B21 149.7(4) . . . . ?
B14 B19 B20 B21 -100.1(4) . . . . ?
B18 B19 B20 B21 0.3(5) . . . . ?
B13 B19 B20 B21 -62.9(4) . . . . ?
B22 B19 B20 B21 37.9(3) . . . . ?
C50 B15 B20 C55 -0.7(7) . . . . ?
C45 B15 B20 C55 -148.0(4) . . . . ?
B14 B15 B20 C55 -110.3(5) . . . . ?
B21 B15 B20 C55 112.1(5) . . . . ?
B16 B15 B20 C55 149.4(4) . . . . ?
C50 B15 B20 B14 109.6(5) . . . . ?
C45 B15 B20 B14 -37.7(3) . . . . ?
B21 B15 B20 B14 -137.7(3) . . . . ?
B16 B15 B20 B14 -100.3(4) . . . . ?
C50 B15 B20 B19 146.5(4) . . . . ?
C45 B15 B20 B19 -0.8(4) . . . . ?
B14 B15 B20 B19 36.9(3) . . . . ?
B21 B15 B20 B19 -100.8(4) . . . . ?
B16 B15 B20 B19 -63.4(4) . . . . ?
C50 B15 B20 B22 -149.8(4) . . . . ?
C45 B15 B20 B22 62.9(4) . . . . ?
B14 B15 B20 B22 100.6(4) . . . . ?
B21 B15 B20 B22 -37.1(3) . . . . ?
B16 B15 B20 B22 0.3(5) . . . . ?
C50 B15 B20 B21 -112.7(5) . . . . ?
C45 B15 B20 B21 100.0(4) . . . . ?
B14 B15 B20 B21 137.7(3) . . . . ?
B16 B15 B20 B21 37.4(3) . . . . ?
C52 B17 B21 C56 1.0(6) . . . . ?
B18 B17 B21 C56 148.8(4) . . . . ?
B22 B17 B21 C56 111.0(5) . . . . ?
B12 B17 B21 C56 -147.9(4) . . . . ?
B16 B17 B21 C56 -110.6(5) . . . . ?
C52 B17 B21 B15 149.2(4) . . . . ?
B18 B17 B21 B15 -63.0(4) . . . . ?
B22 B17 B21 B15 -100.8(4) . . . . ?
B12 B17 B21 B15 0.3(4) . . . . ?
B16 B17 B21 B15 37.6(3) . . . . ?
C52 B17 B21 B16 111.5(4) . . . . ?
B18 B17 B21 B16 -100.6(4) . . . . ?
B22 B17 B21 B16 -138.4(4) . . . . ?
B12 B17 B21 B16 -37.3(3) . . . . ?
C52 B17 B21 B20 -147.5(4) . . . . ?
B18 B17 B21 B20 0.4(4) . . . . ?
B22 B17 B21 B20 -37.4(3) . . . . ?
B12 B17 B21 B20 63.6(4) . . . . ?
B16 B17 B21 B20 101.0(4) . . . . ?
C52 B17 B21 B22 -110.0(4) . . . . ?
B18 B17 B21 B22 37.8(3) . . . . ?
B12 B17 B21 B22 101.1(4) . . . . ?
B16 B17 B21 B22 138.4(4) . . . . ?
C50 B15 B21 C56 0.5(7) . . . . ?
C45 B15 B21 C56 149.2(4) . . . . ?
B14 B15 B21 C56 -148.3(4) . . . . ?
B20 B15 B21 C56 -110.7(4) . . . . ?
B16 B15 B21 C56 111.1(5) . . . . ?
C50 B15 B21 B17 -148.4(4) . . . . ?
C45 B15 B21 B17 0.3(4) . . . . ?
B14 B15 B21 B17 62.8(4) . . . . ?
B20 B15 B21 B17 100.4(4) . . . . ?
B16 B15 B21 B17 -37.8(3) . . . . ?
C50 B15 B21 B16 -110.6(5) . . . . ?
C45 B15 B21 B16 38.1(3) . . . . ?
B14 B15 B21 B16 100.6(4) . . . . ?
B20 B15 B21 B16 138.2(3) . . . . ?
C50 B15 B21 B20 111.2(5) . . . . ?
C45 B15 B21 B20 -100.1(4) . . . . ?
B14 B15 B21 B20 -37.6(3) . . . . ?
B16 B15 B21 B20 -138.2(3) . . . . ?
C50 B15 B21 B22 148.1(4) . . . . ?
C45 B15 B21 B22 -63.2(4) . . . . ?
B14 B15 B21 B22 -0.7(4) . . . . ?
B20 B15 B21 B22 36.9(3) . . . . ?
B16 B15 B21 B22 -101.3(4) . . . . ?
C51 B16 B21 C56 -0.5(7) . . . . ?
C45 B16 B21 C56 -148.0(4) . . . . ?
B12 B16 B21 C56 149.5(4) . . . . ?
B15 B16 B21 C56 -109.8(5) . . . . ?
B17 B16 B21 C56 112.2(5) . . . . ?
C51 B16 B21 B17 -112.6(5) . . . . ?
C45 B16 B21 B17 99.8(4) . . . . ?
B12 B16 B21 B17 37.3(3) . . . . ?
B15 B16 B21 B17 138.0(3) . . . . ?
C51 B16 B21 B15 109.4(5) . . . . ?
C45 B16 B21 B15 -38.2(3) . . . . ?
B12 B16 B21 B15 -100.7(4) . . . . ?
B17 B16 B21 B15 -138.0(3) . . . . ?
C51 B16 B21 B20 146.7(4) . . . . ?
C45 B16 B21 B20 -0.9(4) . . . . ?
B12 B16 B21 B20 -63.4(4) . . . . ?
B15 B16 B21 B20 37.3(3) . . . . ?
B17 B16 B21 B20 -100.7(4) . . . . ?
C51 B16 B21 B22 -149.9(4) . . . . ?
C45 B16 B21 B22 62.5(4) . . . . ?
B12 B16 B21 B22 0.0(4) . . . . ?
B15 B16 B21 B22 100.7(4) . . . . ?
B17 B16 B21 B22 -37.3(3) . . . . ?
C55 B20 B21 C56 -0.8(7) . . . . ?
B14 B20 B21 C56 147.4(4) . . . . ?
B19 B20 B21 C56 -149.4(4) . . . . ?
B15 B20 B21 C56 109.9(5) . . . . ?
B22 B20 B21 C56 -111.5(5) . . . . ?
C55 B20 B21 B17 148.1(5) . . . . ?
B14 B20 B21 B17 -63.7(4) . . . . ?
B19 B20 B21 B17 -0.4(5) . . . . ?
B15 B20 B21 B17 -101.2(4) . . . . ?
B22 B20 B21 B17 37.5(3) . . . . ?
C55 B20 B21 B15 -110.7(5) . . . . ?
B14 B20 B21 B15 37.5(3) . . . . ?
B19 B20 B21 B15 100.8(4) . . . . ?
B22 B20 B21 B15 138.7(3) . . . . ?
C55 B20 B21 B16 -148.1(5) . . . . ?
B14 B20 B21 B16 0.1(4) . . . . ?
B19 B20 B21 B16 63.4(4) . . . . ?
B15 B20 B21 B16 -37.4(3) . . . . ?
B22 B20 B21 B16 101.3(4) . . . . ?
C55 B20 B21 B22 110.6(5) . . . . ?
B14 B20 B21 B22 -101.2(4) . . . . ?
B19 B20 B21 B22 -37.9(3) . . . . ?
B15 B20 B21 B22 -138.7(3) . . . . ?
C53 B18 B22 C57 0.8(7) . . . . ?
B13 B18 B22 C57 147.8(4) . . . . ?
B19 B18 B22 C57 110.5(4) . . . . ?
B17 B18 B22 C57 -111.5(4) . . . . ?
B12 B18 B22 C57 -148.9(4) . . . . ?
C53 B18 B22 B19 -109.7(5) . . . . ?
B13 B18 B22 B19 37.3(3) . . . . ?
B17 B18 B22 B19 138.0(3) . . . . ?
B12 B18 B22 B19 100.6(4) . . . . ?
C53 B18 B22 B20 -146.8(4) . . . . ?
B13 B18 B22 B20 0.2(4) . . . . ?
B19 B18 B22 B20 -37.1(3) . . . . ?
B17 B18 B22 B20 100.9(3) . . . . ?
B12 B18 B22 B20 63.5(4) . . . . ?
C53 B18 B22 B17 112.3(5) . . . . ?
B13 B18 B22 B17 -100.7(4) . . . . ?
B19 B18 B22 B17 -138.0(3) . . . . ?
B12 B18 B22 B17 -37.4(3) . . . . ?
C53 B18 B22 B21 150.0(4) . . . . ?
B13 B18 B22 B21 -63.0(4) . . . . ?
B19 B18 B22 B21 -100.3(4) . . . . ?
B17 B18 B22 B21 37.7(3) . . . . ?
B12 B18 B22 B21 0.3(5) . . . . ?
C54 B19 B22 C57 1.3(7) . . . . ?
B14 B19 B22 C57 149.6(4) . . . . ?
B20 B19 B22 C57 112.0(5) . . . . ?
B18 B19 B22 C57 -109.9(5) . . . . ?
B13 B19 B22 C57 -146.9(4) . . . . ?
C54 B19 B22 B18 111.3(5) . . . . ?
B14 B19 B22 B18 -100.5(4) . . . . ?
B20 B19 B22 B18 -138.1(4) . . . . ?
B13 B19 B22 B18 -37.0(3) . . . . ?
C54 B19 B22 B20 -110.7(5) . . . . ?
B14 B19 B22 B20 37.6(3) . . . . ?
B18 B19 B22 B20 138.1(4) . . . . ?
B13 B19 B22 B20 101.0(4) . . . . ?
C54 B19 B22 B17 148.6(4) . . . . ?
B14 B19 B22 B17 -63.1(4) . . . . ?
B20 B19 B22 B17 -100.7(4) . . . . ?
B18 B19 B22 B17 37.3(3) . . . . ?
B13 B19 B22 B17 0.3(4) . . . . ?
C54 B19 B22 B21 -148.3(4) . . . . ?
B14 B19 B22 B21 -0.1(4) . . . . ?
B20 B19 B22 B21 -37.7(3) . . . . ?
B18 B19 B22 B21 100.4(3) . . . . ?
B13 B19 B22 B21 63.4(4) . . . . ?
C55 B20 B22 C57 0.5(7) . . . . ?
B14 B20 B22 C57 -147.2(4) . . . . ?
B19 B20 B22 C57 -109.7(5) . . . . ?
B15 B20 B22 C57 149.7(4) . . . . ?
B21 B20 B22 C57 112.7(5) . . . . ?
C55 B20 B22 B18 147.4(4) . . . . ?
B14 B20 B22 B18 -0.3(4) . . . . ?
B19 B20 B22 B18 37.2(3) . . . . ?
B15 B20 B22 B18 -63.4(4) . . . . ?
B21 B20 B22 B18 -100.5(4) . . . . ?
C55 B20 B22 B19 110.2(5) . . . . ?
B14 B20 B22 B19 -37.5(3) . . . . ?
B15 B20 B22 B19 -100.7(4) . . . . ?
B21 B20 B22 B19 -137.7(4) . . . . ?
C55 B20 B22 B17 -149.6(4) . . . . ?
B14 B20 B22 B17 62.7(4) . . . . ?
B19 B20 B22 B17 100.2(4) . . . . ?
B15 B20 B22 B17 -0.4(5) . . . . ?
B21 B20 B22 B17 -37.4(3) . . . . ?
C55 B20 B22 B21 -112.2(5) . . . . ?
B14 B20 B22 B21 100.1(4) . . . . ?
B19 B20 B22 B21 137.7(4) . . . . ?
B15 B20 B22 B21 37.0(3) . . . . ?
C52 B17 B22 C57 -0.6(7) . . . . ?
B18 B17 B22 C57 109.6(5) . . . . ?
B21 B17 B22 C57 -112.8(5) . . . . ?
B12 B17 B22 C57 146.7(4) . . . . ?
B16 B17 B22 C57 -150.0(4) . . . . ?
C52 B17 B22 B18 -110.2(5) . . . . ?
B21 B17 B22 B18 137.6(3) . . . . ?
B12 B17 B22 B18 37.1(3) . . . . ?
B16 B17 B22 B18 100.4(4) . . . . ?
C52 B17 B22 B19 -147.5(4) . . . . ?
B18 B17 B22 B19 -37.3(3) . . . . ?
B21 B17 B22 B19 100.2(4) . . . . ?
B12 B17 B22 B19 -0.2(4) . . . . ?
B16 B17 B22 B19 63.1(4) . . . . ?
C52 B17 B22 B20 149.7(4) . . . . ?
B18 B17 B22 B20 -100.1(4) . . . . ?
B21 B17 B22 B20 37.5(3) . . . . ?
B12 B17 B22 B20 -62.9(4) . . . . ?
B16 B17 B22 B20 0.4(5) . . . . ?
C52 B17 B22 B21 112.2(5) . . . . ?
B18 B17 B22 B21 -137.6(3) . . . . ?
B12 B17 B22 B21 -100.5(4) . . . . ?
B16 B17 B22 B21 -37.2(3) . . . . ?
C56 B21 B22 C57 -1.3(7) . . . . ?
B17 B21 B22 C57 110.6(5) . . . . ?
B15 B21 B22 C57 -148.4(4) . . . . ?
B16 B21 B22 C57 148.0(4) . . . . ?
B20 B21 B22 C57 -111.4(5) . . . . ?
C56 B21 B22 B18 -149.5(4) . . . . ?
B17 B21 B22 B18 -37.7(3) . . . . ?
B15 B21 B22 B18 63.4(4) . . . . ?
B16 B21 B22 B18 -0.2(4) . . . . ?
B20 B21 B22 B18 100.3(4) . . . . ?
C56 B21 B22 B19 147.6(4) . . . . ?
B17 B21 B22 B19 -100.6(4) . . . . ?
B15 B21 B22 B19 0.5(4) . . . . ?
B16 B21 B22 B19 -63.1(4) . . . . ?
B20 B21 B22 B19 37.4(3) . . . . ?
C56 B21 B22 B20 110.2(5) . . . . ?
B17 B21 B22 B20 -138.0(4) . . . . ?
B15 B21 B22 B20 -37.0(3) . . . . ?
B16 B21 B22 B20 -100.5(4) . . . . ?
C56 B21 B22 B17 -111.8(5) . . . . ?
B15 B21 B22 B17 101.0(4) . . . . ?
B16 B21 B22 B17 37.5(3) . . . . ?
B20 B21 B22 B17 138.0(4) . . . . ?
C59 C58 B23 C60 1.3(7) . . . . ?
B24 C58 B23 C60 109.5(5) . . . . ?
B25 C58 B23 C60 146.2(4) . . . . ?
B27 C58 B23 C60 -110.0(5) . . . . ?
B26 C58 B23 C60 -147.8(4) . . . . ?
C59 C58 B23 B29 -146.3(4) . . . . ?
B24 C58 B23 B29 -38.0(3) . . . . ?
B25 C58 B23 B29 -1.4(5) . . . . ?
B27 C58 B23 B29 102.5(4) . . . . ?
B26 C58 B23 B29 64.6(4) . . . . ?
C59 C58 B23 B24 -108.2(5) . . . . ?
B25 C58 B23 B24 36.7(3) . . . . ?
B27 C58 B23 B24 140.6(3) . . . . ?
B26 C58 B23 B24 102.7(4) . . . . ?
C59 C58 B23 B28 149.8(4) . . . . ?
B24 C58 B23 B28 -101.9(4) . . . . ?
B25 C58 B23 B28 -65.3(4) . . . . ?
B27 C58 B23 B28 38.6(3) . . . . ?
B26 C58 B23 B28 0.7(4) . . . . ?
C59 C58 B23 B27 111.2(5) . . . . ?
B24 C58 B23 B27 -140.6(3) . . . . ?
B25 C58 B23 B27 -103.9(4) . . . . ?
B26 C58 B23 B27 -37.9(3) . . . . ?
C59 C58 B24 C61 0.0(7) . . . . ?
B23 C58 B24 C61 -109.2(5) . . . . ?
B25 C58 B24 C61 110.6(5) . . . . ?
B27 C58 B24 C61 -145.6(4) . . . . ?
B26 C58 B24 C61 148.2(4) . . . . ?
C59 C58 B24 B30 -149.2(4) . . . . ?
B23 C58 B24 B30 101.6(4) . . . . ?
B25 C58 B24 B30 -38.6(3) . . . . ?
B27 C58 B24 B30 65.2(4) . . . . ?
B26 C58 B24 B30 -1.0(5) . . . . ?
C59 C58 B24 B23 109.2(5) . . . . ?
B25 C58 B24 B23 -140.2(4) . . . . ?
B27 C58 B24 B23 -36.4(3) . . . . ?
B26 C58 B24 B23 -102.7(4) . . . . ?
C59 C58 B24 B29 147.0(4) . . . . ?
B23 C58 B24 B29 37.8(3) . . . . ?
B25 C58 B24 B29 -102.4(3) . . . . ?
B27 C58 B24 B29 1.3(4) . . . . ?
B26 C58 B24 B29 -64.9(4) . . . . ?
C59 C58 B24 B25 -110.6(5) . . . . ?
B23 C58 B24 B25 140.2(4) . . . . ?
B27 C58 B24 B25 103.8(4) . . . . ?
B26 C58 B24 B25 37.5(3) . . . . ?
C60 B23 B24 C61 -0.6(7) . . . . ?
C58 B23 B24 C61 109.6(5) . . . . ?
B29 B23 B24 C61 -113.0(5) . . . . ?
B28 B23 B24 C61 -150.8(4) . . . . ?
B27 B23 B24 C61 144.9(4) . . . . ?
C60 B23 B24 C58 -110.1(5) . . . . ?
B29 B23 B24 C58 137.4(3) . . . . ?
B28 B23 B24 C58 99.6(3) . . . . ?
B27 B23 B24 C58 35.3(3) . . . . ?
C60 B23 B24 B30 150.0(4) . . . . ?
C58 B23 B24 B30 -99.9(3) . . . . ?
B29 B23 B24 B30 37.5(3) . . . . ?
B28 B23 B24 B30 -0.3(4) . . . . ?
B27 B23 B24 B30 -64.6(4) . . . . ?
C60 B23 B24 B29 112.5(5) . . . . ?
C58 B23 B24 B29 -137.4(3) . . . . ?
B28 B23 B24 B29 -37.8(3) . . . . ?
B27 B23 B24 B29 -102.1(4) . . . . ?
C60 B23 B24 B25 -145.7(4) . . . . ?
C58 B23 B24 B25 -35.6(3) . . . . ?
B29 B23 B24 B25 101.8(4) . . . . ?
B28 B23 B24 B25 64.0(4) . . . . ?
B27 B23 B24 B25 -0.3(5) . . . . ?
C59 C58 B25 C62 -2.2(6) . . . . ?
B24 C58 B25 C62 -110.1(4) . . . . ?
B23 C58 B25 C62 -146.7(4) . . . . ?
B27 C58 B25 C62 147.5(4) . . . . ?
B26 C58 B25 C62 110.4(4) . . . . ?
C59 C58 B25 B24 107.9(5) . . . . ?
B23 C58 B25 B24 -36.6(3) . . . . ?
B27 C58 B25 B24 -102.4(4) . . . . ?
B26 C58 B25 B24 -139.5(4) . . . . ?
C59 C58 B25 B30 145.5(4) . . . . ?
B24 C58 B25 B30 37.7(3) . . . . ?
B23 C58 B25 B30 1.1(4) . . . . ?
B27 C58 B25 B30 -64.8(4) . . . . ?
B26 C58 B25 B30 -101.8(3) . . . . ?
C59 C58 B25 B31 -151.1(4) . . . . ?
B24 C58 B25 B31 101.0(3) . . . . ?
B23 C58 B25 B31 64.4(4) . . . . ?
B27 C58 B25 B31 -1.4(4) . . . . ?
B26 C58 B25 B31 -38.5(3) . . . . ?
C59 C58 B25 B26 -112.6(4) . . . . ?
B24 C58 B25 B26 139.5(4) . . . . ?
B23 C58 B25 B26 102.9(4) . . . . ?
B27 C58 B25 B26 37.1(3) . . . . ?
C61 B24 B25 C62 1.7(7) . . . . ?
C58 B24 B25 C62 110.7(5) . . . . ?
B30 B24 B25 C62 -112.3(5) . . . . ?
B23 B24 B25 C62 146.4(4) . . . . ?
B29 B24 B25 C62 -150.1(4) . . . . ?
C61 B24 B25 C58 -109.0(5) . . . . ?
B30 B24 B25 C58 137.0(4) . . . . ?
B23 B24 B25 C58 35.6(3) . . . . ?
B29 B24 B25 C58 99.2(4) . . . . ?
C61 B24 B25 B30 114.0(5) . . . . ?
C58 B24 B25 B30 -137.0(4) . . . . ?
B23 B24 B25 B30 -101.3(4) . . . . ?
B29 B24 B25 B30 -37.8(3) . . . . ?
C61 B24 B25 B31 151.8(4) . . . . ?
C58 B24 B25 B31 -99.2(4) . . . . ?
B30 B24 B25 B31 37.7(3) . . . . ?
B23 B24 B25 B31 -63.6(4) . . . . ?
B29 B24 B25 B31 0.0(4) . . . . ?
C61 B24 B25 B26 -145.0(4) . . . . ?
C58 B24 B25 B26 -36.0(3) . . . . ?
B30 B24 B25 B26 101.0(4) . . . . ?
B23 B24 B25 B26 -0.4(5) . . . . ?
B29 B24 B25 B26 63.2(4) . . . . ?
C59 C58 B26 C63 -0.4(7) . . . . ?
B24 C58 B26 C63 -147.1(4) . . . . ?
B23 C58 B26 C63 147.5(4) . . . . ?
B25 C58 B26 C63 -109.8(5) . . . . ?
B27 C58 B26 C63 109.9(5) . . . . ?
C59 C58 B26 B31 147.8(5) . . . . ?
B24 C58 B26 B31 1.1(5) . . . . ?
B23 C58 B26 B31 -64.3(4) . . . . ?
B25 C58 B26 B31 38.4(3) . . . . ?
B27 C58 B26 B31 -102.0(3) . . . . ?
C59 C58 B26 B32 -149.0(5) . . . . ?
B24 C58 B26 B32 64.3(4) . . . . ?
B23 C58 B26 B32 -1.1(4) . . . . ?
B25 C58 B26 B32 101.6(3) . . . . ?
B27 C58 B26 B32 -38.7(3) . . . . ?
C59 C58 B26 B25 109.4(5) . . . . ?
B24 C58 B26 B25 -37.4(3) . . . . ?
B23 C58 B26 B25 -102.7(4) . . . . ?
B27 C58 B26 B25 -140.4(3) . . . . ?
C59 C58 B26 B27 -110.3(5) . . . . ?
B24 C58 B26 B27 103.0(4) . . . . ?
B23 C58 B26 B27 37.7(3) . . . . ?
B25 C58 B26 B27 140.4(3) . . . . ?
C62 B25 B26 C63 -0.5(6) . . . . ?
C58 B25 B26 C63 110.1(4) . . . . ?
B24 B25 B26 C63 146.1(4) . . . . ?
B30 B25 B26 C63 -151.3(4) . . . . ?
B31 B25 B26 C63 -113.4(4) . . . . ?
C62 B25 B26 C58 -110.6(5) . . . . ?
B24 B25 B26 C58 36.0(3) . . . . ?
B30 B25 B26 C58 98.6(3) . . . . ?
B31 B25 B26 C58 136.5(3) . . . . ?
C62 B25 B26 B31 112.9(5) . . . . ?
C58 B25 B26 B31 -136.5(3) . . . . ?
B24 B25 B26 B31 -100.5(3) . . . . ?
B30 B25 B26 B31 -37.9(3) . . . . ?
C62 B25 B26 B32 150.7(4) . . . . ?
C58 B25 B26 B32 -98.7(3) . . . . ?
B24 B25 B26 B32 -62.7(4) . . . . ?
B30 B25 B26 B32 -0.1(4) . . . . ?
B31 B25 B26 B32 37.8(3) . . . . ?
C62 B25 B26 B27 -145.8(4) . . . . ?
C58 B25 B26 B27 -35.1(3) . . . . ?
B24 B25 B26 B27 0.8(4) . . . . ?
B30 B25 B26 B27 63.5(4) . . . . ?
B31 B25 B26 B27 101.3(3) . . . . ?
C59 C58 B27 C64 1.6(6) . . . . ?
B24 C58 B27 C64 146.3(4) . . . . ?
B23 C58 B27 C64 110.0(4) . . . . ?
B25 C58 B27 C64 -147.8(4) . . . . ?
B26 C58 B27 C64 -110.8(4) . . . . ?
C59 C58 B27 B23 -108.4(5) . . . . ?
B24 C58 B27 B23 36.3(3) . . . . ?
B25 C58 B27 B23 102.2(4) . . . . ?
B26 C58 B27 B23 139.1(3) . . . . ?
C59 C58 B27 B28 -146.3(4) . . . . ?
B24 C58 B27 B28 -1.6(4) . . . . ?
B23 C58 B27 B28 -37.9(3) . . . . ?
B25 C58 B27 B28 64.2(4) . . . . ?
B26 C58 B27 B28 101.2(3) . . . . ?
C59 C58 B27 B32 150.9(4) . . . . ?
B24 C58 B27 B32 -64.4(4) . . . . ?
B23 C58 B27 B32 -100.7(3) . . . . ?
B25 C58 B27 B32 1.5(4) . . . . ?
B26 C58 B27 B32 38.5(3) . . . . ?
C59 C58 B27 B26 112.5(5) . . . . ?
B24 C58 B27 B26 -102.8(4) . . . . ?
B23 C58 B27 B26 -139.1(3) . . . . ?
B25 C58 B27 B26 -37.0(3) . . . . ?
C60 B23 B27 C64 0.1(7) . . . . ?
C58 B23 B27 C64 -109.9(5) . . . . ?
B29 B23 B27 C64 150.7(4) . . . . ?
B24 B23 B27 C64 -145.2(5) . . . . ?
B28 B23 B27 C64 113.2(5) . . . . ?
C60 B23 B27 C58 110.0(5) . . . . ?
B29 B23 B27 C58 -99.4(4) . . . . ?
B24 B23 B27 C58 -35.3(3) . . . . ?
B28 B23 B27 C58 -136.9(3) . . . . ?
C60 B23 B27 B28 -113.2(5) . . . . ?
C58 B23 B27 B28 136.9(3) . . . . ?
B29 B23 B27 B28 37.5(3) . . . . ?
B24 B23 B27 B28 101.6(4) . . . . ?
C60 B23 B27 B32 -151.1(5) . . . . ?
C58 B23 B27 B32 98.9(4) . . . . ?
B29 B23 B27 B32 -0.5(5) . . . . ?
B24 B23 B27 B32 63.6(4) . . . . ?
B28 B23 B27 B32 -37.9(3) . . . . ?
C60 B23 B27 B26 146.1(5) . . . . ?
C58 B23 B27 B26 36.1(3) . . . . ?
B29 B23 B27 B26 -63.3(4) . . . . ?
B24 B23 B27 B26 0.8(5) . . . . ?
B28 B23 B27 B26 -100.8(4) . . . . ?
C63 B26 B27 C64 -0.6(7) . . . . ?
C58 B26 B27 C64 109.6(5) . . . . ?
B31 B26 B27 C64 -151.9(4) . . . . ?
B32 B26 B27 C64 -114.2(5) . . . . ?
B25 B26 B27 C64 144.7(4) . . . . ?
C63 B26 B27 C58 -110.1(4) . . . . ?
B31 B26 B27 C58 98.5(3) . . . . ?
B32 B26 B27 C58 136.2(3) . . . . ?
B25 B26 B27 C58 35.1(3) . . . . ?
C63 B26 B27 B23 -146.3(4) . . . . ?
C58 B26 B27 B23 -36.1(3) . . . . ?
B31 B26 B27 B23 62.4(4) . . . . ?
B32 B26 B27 B23 100.1(3) . . . . ?
B25 B26 B27 B23 -1.0(4) . . . . ?
C63 B26 B27 B28 150.9(4) . . . . ?
C58 B26 B27 B28 -99.0(4) . . . . ?
B31 B26 B27 B28 -0.4(4) . . . . ?
B32 B26 B27 B28 37.2(3) . . . . ?
B25 B26 B27 B28 -63.8(4) . . . . ?
C63 B26 B27 B32 113.7(4) . . . . ?
C58 B26 B27 B32 -136.2(3) . . . . ?
B31 B26 B27 B32 -37.7(3) . . . . ?
B25 B26 B27 B32 -101.1(3) . . . . ?
C60 B23 B28 C65 -1.0(6) . . . . ?
C58 B23 B28 C65 -148.7(4) . . . . ?
B29 B23 B28 C65 110.7(4) . . . . ?
B24 B23 B28 C65 148.3(4) . . . . ?
B27 B23 B28 C65 -110.5(4) . . . . ?
C60 B23 B28 B29 -111.7(5) . . . . ?
C58 B23 B28 B29 100.6(3) . . . . ?
B24 B23 B28 B29 37.6(3) . . . . ?
B27 B23 B28 B29 138.8(3) . . . . ?
C60 B23 B28 B27 109.5(5) . . . . ?
C58 B23 B28 B27 -38.2(3) . . . . ?
B29 B23 B28 B27 -138.8(3) . . . . ?
B24 B23 B28 B27 -101.2(3) . . . . ?
C60 B23 B28 B32 147.6(4) . . . . ?
C58 B23 B28 B32 -0.1(4) . . . . ?
B29 B23 B28 B32 -100.7(3) . . . . ?
B24 B23 B28 B32 -63.1(4) . . . . ?
B27 B23 B28 B32 38.1(3) . . . . ?
C60 B23 B28 B33 -149.4(4) . . . . ?
C58 B23 B28 B33 62.9(4) . . . . ?
B29 B23 B28 B33 -37.7(3) . . . . ?
B24 B23 B28 B33 -0.1(4) . . . . ?
B27 B23 B28 B33 101.1(3) . . . . ?
C64 B27 B28 C65 1.2(7) . . . . ?
C58 B27 B28 C65 148.1(4) . . . . ?
B23 B27 B28 C65 110.3(5) . . . . ?
B32 B27 B28 C65 -112.5(5) . . . . ?
B26 B27 B28 C65 -149.6(4) . . . . ?
C64 B27 B28 B23 -109.1(5) . . . . ?
C58 B27 B28 B23 37.8(3) . . . . ?
B32 B27 B28 B23 137.3(3) . . . . ?
B26 B27 B28 B23 100.1(4) . . . . ?
C64 B27 B28 B29 -145.6(4) . . . . ?
C58 B27 B28 B29 1.3(4) . . . . ?
B23 B27 B28 B29 -36.6(3) . . . . ?
B32 B27 B28 B29 100.7(3) . . . . ?
B26 B27 B28 B29 63.6(4) . . . . ?
C64 B27 B28 B32 113.7(5) . . . . ?
C58 B27 B28 B32 -99.4(3) . . . . ?
B23 B27 B28 B32 -137.3(3) . . . . ?
B26 B27 B28 B32 -37.1(3) . . . . ?
C64 B27 B28 B33 151.2(4) . . . . ?
C58 B27 B28 B33 -61.8(4) . . . . ?
B23 B27 B28 B33 -99.7(4) . . . . ?
B32 B27 B28 B33 37.6(3) . . . . ?
B26 B27 B28 B33 0.4(4) . . . . ?
C60 B23 B29 C66 1.4(7) . . . . ?
C58 B23 B29 C66 148.2(4) . . . . ?
B24 B23 B29 C66 110.5(5) . . . . ?
B28 B23 B29 C66 -111.2(5) . . . . ?
B27 B23 B29 C66 -148.6(4) . . . . ?
C60 B23 B29 B24 -109.1(5) . . . . ?
C58 B23 B29 B24 37.7(3) . . . . ?
B28 B23 B29 B24 138.3(3) . . . . ?
B27 B23 B29 B24 100.9(4) . . . . ?
C60 B23 B29 B30 -145.8(5) . . . . ?
C58 B23 B29 B30 1.1(4) . . . . ?
B24 B23 B29 B30 -36.6(3) . . . . ?
B28 B23 B29 B30 101.6(3) . . . . ?
B27 B23 B29 B30 64.2(4) . . . . ?
C60 B23 B29 B28 112.6(5) . . . . ?
C58 B23 B29 B28 -100.6(3) . . . . ?
B24 B23 B29 B28 -138.3(3) . . . . ?
B27 B23 B29 B28 -37.4(3) . . . . ?
C60 B23 B29 B33 150.8(5) . . . . ?
C58 B23 B29 B33 -62.4(4) . . . . ?
B24 B23 B29 B33 -100.1(3) . . . . ?
B28 B23 B29 B33 38.2(3) . . . . ?
B27 B23 B29 B33 0.7(5) . . . . ?
C61 B24 B29 C66 -1.5(7) . . . . ?
C58 B24 B29 C66 -147.3(4) . . . . ?
B30 B24 B29 C66 111.9(4) . . . . ?
B23 B24 B29 C66 -109.6(4) . . . . ?
B25 B24 B29 C66 149.7(4) . . . . ?
C61 B24 B29 B23 108.1(5) . . . . ?
C58 B24 B29 B23 -37.7(3) . . . . ?
B30 B24 B29 B23 -138.5(3) . . . . ?
B25 B24 B29 B23 -100.7(4) . . . . ?
C61 B24 B29 B30 -113.4(5) . . . . ?
C58 B24 B29 B30 100.8(3) . . . . ?
B23 B24 B29 B30 138.5(3) . . . . ?
B25 B24 B29 B30 37.8(3) . . . . ?
C61 B24 B29 B28 145.3(4) . . . . ?
C58 B24 B29 B28 -0.5(4) . . . . ?
B30 B24 B29 B28 -101.3(3) . . . . ?
B23 B24 B29 B28 37.2(3) . . . . ?
B25 B24 B29 B28 -63.5(4) . . . . ?
C61 B24 B29 B33 -151.0(4) . . . . ?
C58 B24 B29 B33 63.2(4) . . . . ?
B30 B24 B29 B33 -37.6(3) . . . . ?
B23 B24 B29 B33 100.9(3) . . . . ?
B25 B24 B29 B33 0.2(4) . . . . ?
C65 B28 B29 C66 -0.7(6) . . . . ?
B23 B28 B29 C66 109.3(4) . . . . ?
B27 B28 B29 C66 146.1(4) . . . . ?
B32 B28 B29 C66 -150.5(4) . . . . ?
B33 B28 B29 C66 -113.3(4) . . . . ?
C65 B28 B29 B23 -110.0(5) . . . . ?
B27 B28 B29 B23 36.7(3) . . . . ?
B32 B28 B29 B23 100.1(4) . . . . ?
B33 B28 B29 B23 137.4(3) . . . . ?
C65 B28 B29 B24 -147.3(4) . . . . ?
B23 B28 B29 B24 -37.2(3) . . . . ?
B27 B28 B29 B24 -0.5(4) . . . . ?
B32 B28 B29 B24 62.9(4) . . . . ?
B33 B28 B29 B24 100.2(3) . . . . ?
C65 B28 B29 B30 150.1(4) . . . . ?
B23 B28 B29 B30 -99.9(4) . . . . ?
B27 B28 B29 B30 -63.2(4) . . . . ?
B32 B28 B29 B30 0.2(4) . . . . ?
B33 B28 B29 B30 37.5(3) . . . . ?
C65 B28 B29 B33 112.6(5) . . . . ?
B23 B28 B29 B33 -137.4(3) . . . . ?
B27 B28 B29 B33 -100.7(3) . . . . ?
B32 B28 B29 B33 -37.2(3) . . . . ?
C61 B24 B30 C67 1.4(6) . . . . ?
C58 B24 B30 C67 149.2(4) . . . . ?
B23 B24 B30 C67 -147.7(4) . . . . ?
B29 B24 B30 C67 -110.5(4) . . . . ?
B25 B24 B30 C67 111.1(4) . . . . ?
C61 B24 B30 B25 -109.7(5) . . . . ?
C58 B24 B30 B25 38.1(3) . . . . ?
B23 B24 B30 B25 101.2(3) . . . . ?
B29 B24 B30 B25 138.4(3) . . . . ?
C61 B24 B30 B29 111.9(5) . . . . ?
C58 B24 B30 B29 -100.3(4) . . . . ?
B23 B24 B30 B29 -37.2(3) . . . . ?
B25 B24 B30 B29 -138.4(3) . . . . ?
C61 B24 B30 B33 149.6(4) . . . . ?
C58 B24 B30 B33 -62.6(4) . . . . ?
B23 B24 B30 B33 0.5(4) . . . . ?
B29 B24 B30 B33 37.7(3) . . . . ?
B25 B24 B30 B33 -100.7(3) . . . . ?
C61 B24 B30 B31 -147.2(4) . . . . ?
C58 B24 B30 B31 0.6(4) . . . . ?
B23 B24 B30 B31 63.7(4) . . . . ?
B29 B24 B30 B31 100.9(3) . . . . ?
B25 B24 B30 B31 -37.5(3) . . . . ?
C62 B25 B30 C67 1.3(6) . . . . ?
C58 B25 B30 C67 -146.0(4) . . . . ?
B24 B25 B30 C67 -108.2(4) . . . . ?
B31 B25 B30 C67 113.9(4) . . . . ?
B26 B25 B30 C67 151.5(4) . . . . ?
C62 B25 B30 B24 109.5(5) . . . . ?
C58 B25 B30 B24 -37.7(3) . . . . ?
B31 B25 B30 B24 -137.9(3) . . . . ?
B26 B25 B30 B24 -100.3(4) . . . . ?
C62 B25 B30 B29 146.8(4) . . . . ?
C58 B25 B30 B29 -0.4(4) . . . . ?
B24 B25 B30 B29 37.3(3) . . . . ?
B31 B25 B30 B29 -100.6(3) . . . . ?
B26 B25 B30 B29 -62.9(4) . . . . ?
C62 B25 B30 B33 -149.7(4) . . . . ?
C58 B25 B30 B33 63.1(4) . . . . ?
B24 B25 B30 B33 100.8(3) . . . . ?
B31 B25 B30 B33 -37.1(3) . . . . ?
B26 B25 B30 B33 0.5(4) . . . . ?
C62 B25 B30 B31 -112.6(5) . . . . ?
C58 B25 B30 B31 100.2(3) . . . . ?
B24 B25 B30 B31 137.9(3) . . . . ?
B26 B25 B30 B31 37.6(3) . . . . ?
C66 B29 B30 C67 -0.9(6) . . . . ?
B23 B29 B30 C67 145.3(4) . . . . ?
B24 B29 B30 C67 108.4(4) . . . . ?
B28 B29 B30 C67 -151.3(4) . . . . ?
B33 B29 B30 C67 -113.8(4) . . . . ?
C66 B29 B30 B24 -109.3(5) . . . . ?
B23 B29 B30 B24 36.9(3) . . . . ?
B28 B29 B30 B24 100.2(4) . . . . ?
B33 B29 B30 B24 137.8(3) . . . . ?
C66 B29 B30 B25 -146.7(4) . . . . ?
B23 B29 B30 B25 -0.4(4) . . . . ?
B24 B29 B30 B25 -37.3(3) . . . . ?
B28 B29 B30 B25 62.9(4) . . . . ?
B33 B29 B30 B25 100.5(3) . . . . ?
C66 B29 B30 B33 112.8(5) . . . . ?
B23 B29 B30 B33 -100.9(3) . . . . ?
B24 B29 B30 B33 -137.8(3) . . . . ?
B28 B29 B30 B33 -37.6(3) . . . . ?
C66 B29 B30 B31 150.0(4) . . . . ?
B23 B29 B30 B31 -63.7(4) . . . . ?
B24 B29 B30 B31 -100.6(3) . . . . ?
B28 B29 B30 B31 -0.4(4) . . . . ?
B33 B29 B30 B31 37.2(3) . . . . ?
C63 B26 B31 C68 -1.7(6) . . . . ?
C58 B26 B31 C68 -149.0(4) . . . . ?
B32 B26 B31 C68 111.2(4) . . . . ?
B25 B26 B31 C68 -110.9(4) . . . . ?
B27 B26 B31 C68 148.7(4) . . . . ?
C63 B26 B31 B25 109.2(5) . . . . ?
C58 B26 B31 B25 -38.1(3) . . . . ?
B32 B26 B31 B25 -137.9(3) . . . . ?
B27 B26 B31 B25 -100.4(3) . . . . ?
C63 B26 B31 B33 -150.2(4) . . . . ?
C58 B26 B31 B33 62.6(4) . . . . ?
B32 B26 B31 B33 -37.3(3) . . . . ?
B25 B26 B31 B33 100.6(3) . . . . ?
B27 B26 B31 B33 0.2(4) . . . . ?
C63 B26 B31 B32 -112.9(5) . . . . ?
C58 B26 B31 B32 99.9(3) . . . . ?
B25 B26 B31 B32 137.9(3) . . . . ?
B27 B26 B31 B32 37.6(3) . . . . ?
C63 B26 B31 B30 146.6(4) . . . . ?
C58 B26 B31 B30 -0.7(4) . . . . ?
B32 B26 B31 B30 -100.5(3) . . . . ?
B25 B26 B31 B30 37.4(3) . . . . ?
B27 B26 B31 B30 -63.0(4) . . . . ?
C62 B25 B31 C68 0.0(6) . . . . ?
C58 B25 B31 C68 148.3(4) . . . . ?
B24 B25 B31 C68 -149.2(4) . . . . ?
B30 B25 B31 C68 -112.0(4) . . . . ?
B26 B25 B31 C68 110.0(4) . . . . ?
C62 B25 B31 B26 -110.0(5) . . . . ?
C58 B25 B31 B26 38.2(3) . . . . ?
B24 B25 B31 B26 100.7(4) . . . . ?
B30 B25 B31 B26 137.9(3) . . . . ?
C62 B25 B31 B33 149.2(4) . . . . ?
C58 B25 B31 B33 -62.6(4) . . . . ?
B24 B25 B31 B33 -0.1(4) . . . . ?
B30 B25 B31 B33 37.1(3) . . . . ?
B26 B25 B31 B33 -100.8(3) . . . . ?
C62 B25 B31 B32 -147.5(4) . . . . ?
C58 B25 B31 B32 0.8(4) . . . . ?
B24 B25 B31 B32 63.2(4) . . . . ?
B30 B25 B31 B32 100.4(3) . . . . ?
B26 B25 B31 B32 -37.5(3) . . . . ?
C62 B25 B31 B30 112.1(5) . . . . ?
C58 B25 B31 B30 -99.7(3) . . . . ?
B24 B25 B31 B30 -37.2(3) . . . . ?
B26 B25 B31 B30 -137.9(3) . . . . ?
C67 B30 B31 C68 0.9(6) . . . . ?
B24 B30 B31 C68 147.7(4) . . . . ?
B25 B30 B31 C68 110.0(4) . . . . ?
B29 B30 B31 C68 -148.8(4) . . . . ?
B33 B30 B31 C68 -111.6(4) . . . . ?
C67 B30 B31 B26 -146.7(4) . . . . ?
B24 B30 B31 B26 0.0(4) . . . . ?
B25 B30 B31 B26 -37.6(3) . . . . ?
B29 B30 B31 B26 63.6(4) . . . . ?
B33 B30 B31 B26 100.8(3) . . . . ?
C67 B30 B31 B25 -109.2(5) . . . . ?
B24 B30 B31 B25 37.6(3) . . . . ?
B29 B30 B31 B25 101.1(4) . . . . ?
B33 B30 B31 B25 138.4(3) . . . . ?
C67 B30 B31 B33 112.5(5) . . . . ?
B24 B30 B31 B33 -100.8(3) . . . . ?
B25 B30 B31 B33 -138.4(3) . . . . ?
B29 B30 B31 B33 -37.2(3) . . . . ?
C67 B30 B31 B32 150.1(4) . . . . ?
B24 B30 B31 B32 -63.1(4) . . . . ?
B25 B30 B31 B32 -100.7(3) . . . . ?
B29 B30 B31 B32 0.4(4) . . . . ?
B33 B30 B31 B32 37.6(3) . . . . ?
C63 B26 B32 C69 1.8(6) . . . . ?
C58 B26 B32 C69 149.4(4) . . . . ?
B31 B26 B32 C69 -110.8(4) . . . . ?
B25 B26 B32 C69 -148.4(4) . . . . ?
B27 B26 B32 C69 111.1(4) . . . . ?
C63 B26 B32 B33 149.8(4) . . . . ?
C58 B26 B32 B33 -62.7(4) . . . . ?
B31 B26 B32 B33 37.2(3) . . . . ?
B25 B26 B32 B33 -0.4(4) . . . . ?
B27 B26 B32 B33 -101.0(3) . . . . ?
C63 B26 B32 B28 -146.6(4) . . . . ?
C58 B26 B32 B28 0.9(4) . . . . ?
B31 B26 B32 B28 100.8(3) . . . . ?
B25 B26 B32 B28 63.2(4) . . . . ?
B27 B26 B32 B28 -37.4(3) . . . . ?
C63 B26 B32 B27 -109.3(5) . . . . ?
C58 B26 B32 B27 38.3(3) . . . . ?
B31 B26 B32 B27 138.2(3) . . . . ?
B25 B26 B32 B27 100.6(3) . . . . ?
C63 B26 B32 B31 112.6(5) . . . . ?
C58 B26 B32 B31 -99.9(3) . . . . ?
B25 B26 B32 B31 -37.6(3) . . . . ?
B27 B26 B32 B31 -138.2(3) . . . . ?
C65 B28 B32 C69 -1.6(6) . . . . ?
B23 B28 B32 C69 -149.5(4) . . . . ?
B29 B28 B32 C69 147.8(4) . . . . ?
B27 B28 B32 C69 -111.5(4) . . . . ?
B33 B28 B32 C69 110.6(4) . . . . ?
C65 B28 B32 B26 147.4(4) . . . . ?
B23 B28 B32 B26 -0.5(4) . . . . ?
B29 B28 B32 B26 -63.2(4) . . . . ?
B27 B28 B32 B26 37.4(3) . . . . ?
B33 B28 B32 B26 -100.4(3) . . . . ?
C65 B28 B32 B33 -112.2(5) . . . . ?
B23 B28 B32 B33 99.9(3) . . . . ?
B29 B28 B32 B33 37.2(3) . . . . ?
B27 B28 B32 B33 137.9(3) . . . . ?
C65 B28 B32 B27 110.0(5) . . . . ?
B23 B28 B32 B27 -38.0(3) . . . . ?
B29 B28 B32 B27 -100.7(4) . . . . ?
B33 B28 B32 B27 -137.9(3) . . . . ?
C65 B28 B32 B31 -149.3(4) . . . . ?
B23 B28 B32 B31 62.7(4) . . . . ?
B29 B28 B32 B31 0.0(4) . . . . ?
B27 B28 B32 B31 100.7(4) . . . . ?
B33 B28 B32 B31 -37.2(3) . . . . ?
C64 B27 B32 C69 -2.3(6) . . . . ?
C58 B27 B32 C69 -150.1(4) . . . . ?
B23 B27 B32 C69 147.6(4) . . . . ?
B28 B27 B32 C69 109.9(4) . . . . ?
B26 B27 B32 C69 -111.9(4) . . . . ?
C64 B27 B32 B26 109.6(5) . . . . ?
C58 B27 B32 B26 -38.2(3) . . . . ?
B23 B27 B32 B26 -100.5(4) . . . . ?
B28 B27 B32 B26 -138.2(3) . . . . ?
C64 B27 B32 B33 -149.9(4) . . . . ?
C58 B27 B32 B33 62.3(4) . . . . ?
B23 B27 B32 B33 0.0(4) . . . . ?
B28 B27 B32 B33 -37.7(3) . . . . ?
B26 B27 B32 B33 100.5(3) . . . . ?
C64 B27 B32 B28 -112.1(5) . . . . ?
C58 B27 B32 B28 100.0(3) . . . . ?
B23 B27 B32 B28 37.8(3) . . . . ?
B26 B27 B32 B28 138.2(3) . . . . ?
C64 B27 B32 B31 146.9(4) . . . . ?
C58 B27 B32 B31 -1.0(4) . . . . ?
B23 B27 B32 B31 -63.2(4) . . . . ?
B28 B27 B32 B31 -101.0(3) . . . . ?
B26 B27 B32 B31 37.3(3) . . . . ?
C68 B31 B32 C69 1.9(6) . . . . ?
B26 B31 B32 C69 111.7(4) . . . . ?
B25 B31 B32 C69 149.3(4) . . . . ?
B33 B31 B32 C69 -110.1(4) . . . . ?
B30 B31 B32 C69 -147.7(4) . . . . ?
C68 B31 B32 B26 -109.8(4) . . . . ?
B25 B31 B32 B26 37.6(3) . . . . ?
B33 B31 B32 B26 138.2(3) . . . . ?
B30 B31 B32 B26 100.6(3) . . . . ?
C68 B31 B32 B33 112.0(4) . . . . ?
B26 B31 B32 B33 -138.2(3) . . . . ?
B25 B31 B32 B33 -100.6(3) . . . . ?
B30 B31 B32 B33 -37.6(3) . . . . ?
C68 B31 B32 B28 149.3(4) . . . . ?
B26 B31 B32 B28 -100.9(3) . . . . ?
B25 B31 B32 B28 -63.3(4) . . . . ?
B33 B31 B32 B28 37.3(3) . . . . ?
B30 B31 B32 B28 -0.3(4) . . . . ?
C68 B31 B32 B27 -147.3(4) . . . . ?
B26 B31 B32 B27 -37.5(3) . . . . ?
B25 B31 B32 B27 0.1(4) . . . . ?
B33 B31 B32 B27 100.8(3) . . . . ?
B30 B31 B32 B27 63.1(4) . . . . ?
C66 B29 B33 C70 -0.2(6) . . . . ?
B23 B29 B33 C70 -148.5(4) . . . . ?
B24 B29 B33 C70 148.4(4) . . . . ?
B30 B29 B33 C70 111.2(4) . . . . ?
B28 B29 B33 C70 -110.5(4) . . . . ?
C66 B29 B33 B31 -148.8(4) . . . . ?
B23 B29 B33 B31 62.9(4) . . . . ?
B24 B29 B33 B31 -0.2(4) . . . . ?
B30 B29 B33 B31 -37.4(3) . . . . ?
B28 B29 B33 B31 100.9(3) . . . . ?
C66 B29 B33 B30 -111.4(5) . . . . ?
B23 B29 B33 B30 100.3(4) . . . . ?
B24 B29 B33 B30 37.2(3) . . . . ?
B28 B29 B33 B30 138.3(3) . . . . ?
C66 B29 B33 B32 147.5(4) . . . . ?
B23 B29 B33 B32 -0.7(4) . . . . ?
B24 B29 B33 B32 -63.9(4) . . . . ?
B30 B29 B33 B32 -101.1(3) . . . . ?
B28 B29 B33 B32 37.2(3) . . . . ?
C66 B29 B33 B28 110.3(5) . . . . ?
B23 B29 B33 B28 -38.0(3) . . . . ?
B24 B29 B33 B28 -101.1(3) . . . . ?
B30 B29 B33 B28 -138.3(3) . . . . ?
C68 B31 B33 C70 -0.4(6) . . . . ?
B26 B31 B33 C70 147.4(4) . . . . ?
B25 B31 B33 C70 -149.1(4) . . . . ?
B32 B31 B33 C70 110.1(4) . . . . ?
B30 B31 B33 C70 -112.1(4) . . . . ?
C68 B31 B33 B29 148.9(4) . . . . ?
B26 B31 B33 B29 -63.3(4) . . . . ?
B25 B31 B33 B29 0.2(4) . . . . ?
B32 B31 B33 B29 -100.5(3) . . . . ?
B30 B31 B33 B29 37.2(3) . . . . ?
C68 B31 B33 B30 111.7(4) . . . . ?
B26 B31 B33 B30 -100.5(3) . . . . ?
B25 B31 B33 B30 -37.0(3) . . . . ?
B32 B31 B33 B30 -137.8(3) . . . . ?
C68 B31 B33 B32 -110.6(4) . . . . ?
B26 B31 B33 B32 37.3(3) . . . . ?
B25 B31 B33 B32 100.7(3) . . . . ?
B30 B31 B33 B32 137.8(3) . . . . ?
C68 B31 B33 B28 -147.8(4) . . . . ?
B26 B31 B33 B28 0.0(4) . . . . ?
B25 B31 B33 B28 63.5(4) . . . . ?
B32 B31 B33 B28 -37.2(3) . . . . ?
B30 B31 B33 B28 100.5(3) . . . . ?
C67 B30 B33 C70 -3.3(6) . . . . ?
B24 B30 B33 C70 -149.7(3) . . . . ?
B25 B30 B33 C70 146.8(4) . . . . ?
B29 B30 B33 C70 -112.0(4) . . . . ?
B31 B30 B33 C70 109.7(4) . . . . ?
C67 B30 B33 B29 108.7(4) . . . . ?
B24 B30 B33 B29 -37.7(3) . . . . ?
B25 B30 B33 B29 -101.3(3) . . . . ?
B31 B30 B33 B29 -138.3(3) . . . . ?
C67 B30 B33 B31 -112.9(4) . . . . ?
B24 B30 B33 B31 100.6(3) . . . . ?
B25 B30 B33 B31 37.1(3) . . . . ?
B29 B30 B33 B31 138.3(3) . . . . ?
C67 B30 B33 B32 -150.8(4) . . . . ?
B24 B30 B33 B32 62.7(4) . . . . ?
B25 B30 B33 B32 -0.8(4) . . . . ?
B29 B30 B33 B32 100.5(3) . . . . ?
B31 B30 B33 B32 -37.9(3) . . . . ?
C67 B30 B33 B28 145.9(4) . . . . ?
B24 B30 B33 B28 -0.6(4) . . . . ?
B25 B30 B33 B28 -64.1(4) . . . . ?
B29 B30 B33 B28 37.1(3) . . . . ?
B31 B30 B33 B28 -101.2(3) . . . . ?
C69 B32 B33 C70 1.1(6) . . . . ?
B26 B32 B33 C70 -147.4(4) . . . . ?
B28 B32 B33 C70 111.4(4) . . . . ?
B27 B32 B33 C70 149.0(4) . . . . ?
B31 B32 B33 C70 -110.3(4) . . . . ?
C69 B32 B33 B29 -147.5(4) . . . . ?
B26 B32 B33 B29 64.0(4) . . . . ?
B28 B32 B33 B29 -37.2(3) . . . . ?
B27 B32 B33 B29 0.4(4) . . . . ?
B31 B32 B33 B29 101.2(3) . . . . ?
C69 B32 B33 B31 111.3(4) . . . . ?
B26 B32 B33 B31 -37.2(3) . . . . ?
B28 B32 B33 B31 -138.4(3) . . . . ?
B27 B32 B33 B31 -100.7(4) . . . . ?
C69 B32 B33 B30 149.2(4) . . . . ?
B26 B32 B33 B30 0.7(4) . . . . ?
B28 B32 B33 B30 -100.5(3) . . . . ?
B27 B32 B33 B30 -62.8(4) . . . . ?
B31 B32 B33 B30 37.9(3) . . . . ?
C69 B32 B33 B28 -110.3(4) . . . . ?
B26 B32 B33 B28 101.2(4) . . . . ?
B27 B32 B33 B28 37.6(3) . . . . ?
B31 B32 B33 B28 138.4(3) . . . . ?
C65 B28 B33 C70 2.1(6) . . . . ?
B23 B28 B33 C70 149.7(4) . . . . ?
B29 B28 B33 C70 112.2(4) . . . . ?
B27 B28 B33 C70 -147.2(4) . . . . ?
B32 B28 B33 C70 -109.6(4) . . . . ?
C65 B28 B33 B29 -110.0(4) . . . . ?
B23 B28 B33 B29 37.6(3) . . . . ?
B27 B28 B33 B29 100.6(4) . . . . ?
B32 B28 B33 B29 138.2(3) . . . . ?
C65 B28 B33 B31 149.1(4) . . . . ?
B23 B28 B33 B31 -63.3(4) . . . . ?
B29 B28 B33 B31 -100.9(3) . . . . ?
B27 B28 B33 B31 -0.3(4) . . . . ?
B32 B28 B33 B31 37.4(3) . . . . ?
C65 B28 B33 B30 -147.2(4) . . . . ?
B23 B28 B33 B30 0.4(4) . . . . ?
B29 B28 B33 B30 -37.1(3) . . . . ?
B27 B28 B33 B30 63.4(4) . . . . ?
B32 B28 B33 B30 101.1(3) . . . . ?
C65 B28 B33 B32 111.7(5) . . . . ?
B23 B28 B33 B32 -100.7(3) . . . . ?
B29 B28 B33 B32 -138.2(3) . . . . ?
B27 B28 B33 B32 -37.6(3) . . . . ?
C32 C31 B1 C33 -0.6(11) . . . . ?
B4 C31 B1 C33 -147.5(7) . . . . ?
B3 C31 B1 C33 146.4(7) . . . . ?
B2 C31 B1 C33 109.5(8) . . . . ?
B5 C31 B1 C33 -110.1(8) . . . . ?
C32 C31 B1 B7 -148.2(8) . . . . ?
B4 C31 B1 B7 64.9(7) . . . . ?
B3 C31 B1 B7 -1.2(7) . . . . ?
B2 C31 B1 B7 -38.1(5) . . . . ?
B5 C31 B1 B7 102.3(6) . . . . ?
C32 C31 B1 B6 148.2(8) . . . . ?
B4 C31 B1 B6 1.2(7) . . . . ?
B3 C31 B1 B6 -64.8(7) . . . . ?
B2 C31 B1 B6 -101.7(6) . . . . ?
B5 C31 B1 B6 38.7(5) . . . . ?
C32 C31 B1 B5 109.5(9) . . . . ?
B4 C31 B1 B5 -37.4(5) . . . . ?
B3 C31 B1 B5 -103.5(6) . . . . ?
B2 C31 B1 B5 -140.4(6) . . . . ?
C32 C31 B1 B2 -110.1(9) . . . . ?
B4 C31 B1 B2 102.9(6) . . . . ?
B3 C31 B1 B2 36.9(5) . . . . ?
B5 C31 B1 B2 140.4(6) . . . . ?
C32 C31 B2 C34 -0.1(12) . . . . ?
B4 C31 B2 C34 148.2(8) . . . . ?
B3 C31 B2 C34 111.0(8) . . . . ?
B5 C31 B2 C34 -145.7(8) . . . . ?
B1 C31 B2 C34 -108.9(8) . . . . ?
C32 C31 B2 B7 146.9(9) . . . . ?
B4 C31 B2 B7 -64.8(7) . . . . ?
B3 C31 B2 B7 -102.0(6) . . . . ?
B5 C31 B2 B7 1.3(8) . . . . ?
B1 C31 B2 B7 38.1(5) . . . . ?
C32 C31 B2 B8 -150.1(9) . . . . ?
B4 C31 B2 B8 -1.8(7) . . . . ?
B3 C31 B2 B8 -39.0(5) . . . . ?
B5 C31 B2 B8 64.3(7) . . . . ?
B1 C31 B2 B8 101.1(6) . . . . ?
C32 C31 B2 B3 -111.1(9) . . . . ?
B4 C31 B2 B3 37.2(5) . . . . ?
B5 C31 B2 B3 103.4(6) . . . . ?
B1 C31 B2 B3 140.2(6) . . . . ?
C32 C31 B2 B1 108.7(9) . . . . ?
B4 C31 B2 B1 -102.9(6) . . . . ?
B3 C31 B2 B1 -140.2(6) . . . . ?
B5 C31 B2 B1 -36.8(5) . . . . ?
C33 B1 B2 C34 0.6(11) . . . . ?
C31 B1 B2 C34 111.2(8) . . . . ?
B7 B1 B2 C34 -112.3(8) . . . . ?
B6 B1 B2 C34 -149.9(7) . . . . ?
B5 B1 B2 C34 146.4(7) . . . . ?
C33 B1 B2 C31 -110.6(8) . . . . ?
B7 B1 B2 C31 136.5(6) . . . . ?
B6 B1 B2 C31 98.9(6) . . . . ?
B5 B1 B2 C31 35.2(5) . . . . ?
C33 B1 B2 B7 112.9(8) . . . . ?
C31 B1 B2 B7 -136.5(6) . . . . ?
B6 B1 B2 B7 -37.6(5) . . . . ?
B5 B1 B2 B7 -101.3(6) . . . . ?
C33 B1 B2 B8 150.5(7) . . . . ?
C31 B1 B2 B8 -99.0(6) . . . . ?
B7 B1 B2 B8 37.5(5) . . . . ?
B6 B1 B2 B8 -0.1(7) . . . . ?
B5 B1 B2 B8 -63.7(7) . . . . ?
C33 B1 B2 B3 -146.1(8) . . . . ?
C31 B1 B2 B3 -35.5(5) . . . . ?
B7 B1 B2 B3 101.0(6) . . . . ?
B6 B1 B2 B3 63.4(7) . . . . ?
B5 B1 B2 B3 -0.2(7) . . . . ?
C32 C31 B3 C35 -0.5(12) . . . . ?
B4 C31 B3 C35 110.6(8) . . . . ?
B2 C31 B3 C35 -109.7(8) . . . . ?
B5 C31 B3 C35 147.2(8) . . . . ?
B1 C31 B3 C35 -146.7(8) . . . . ?
C32 C31 B3 B8 147.9(8) . . . . ?
B4 C31 B3 B8 -101.0(6) . . . . ?
B2 C31 B3 B8 38.7(5) . . . . ?
B5 C31 B3 B8 -64.4(7) . . . . ?
B1 C31 B3 B8 1.7(7) . . . . ?
C32 C31 B3 B2 109.1(8) . . . . ?
B4 C31 B3 B2 -139.8(6) . . . . ?
B5 C31 B3 B2 -103.2(6) . . . . ?
B1 C31 B3 B2 -37.1(5) . . . . ?
C32 C31 B3 B4 -111.1(8) . . . . ?
B2 C31 B3 B4 139.8(6) . . . . ?
B5 C31 B3 B4 36.6(5) . . . . ?
B1 C31 B3 B4 102.7(6) . . . . ?
C32 C31 B3 B9 -149.3(8) . . . . ?
B4 C31 B3 B9 -38.2(5) . . . . ?
B2 C31 B3 B9 101.5(6) . . . . ?
B5 C31 B3 B9 -1.6(7) . . . . ?
B1 C31 B3 B9 64.5(7) . . . . ?
C34 B2 B3 C35 -0.8(12) . . . . ?
C31 B2 B3 C35 109.7(8) . . . . ?
B7 B2 B3 C35 -151.9(8) . . . . ?
B8 B2 B3 C35 -114.5(8) . . . . ?
B1 B2 B3 C35 145.1(8) . . . . ?
C34 B2 B3 C31 -110.5(8) . . . . ?
B7 B2 B3 C31 98.4(6) . . . . ?
B8 B2 B3 C31 135.9(6) . . . . ?
B1 B2 B3 C31 35.5(5) . . . . ?
C34 B2 B3 B8 113.6(8) . . . . ?
C31 B2 B3 B8 -135.9(6) . . . . ?
B7 B2 B3 B8 -37.5(5) . . . . ?
B1 B2 B3 B8 -100.4(6) . . . . ?
C34 B2 B3 B4 -146.2(8) . . . . ?
C31 B2 B3 B4 -35.7(5) . . . . ?
B7 B2 B3 B4 62.7(7) . . . . ?
B8 B2 B3 B4 100.1(6) . . . . ?
B1 B2 B3 B4 -0.3(7) . . . . ?
C34 B2 B3 B9 150.7(8) . . . . ?
C31 B2 B3 B9 -98.8(6) . . . . ?
B7 B2 B3 B9 -0.4(7) . . . . ?
B8 B2 B3 B9 37.0(5) . . . . ?
B1 B2 B3 B9 -63.4(7) . . . . ?
C32 C31 B4 C36 0.8(13) . . . . ?
B3 C31 B4 C36 -109.8(8) . . . . ?
B2 C31 B4 C36 -146.9(8) . . . . ?
B5 C31 B4 C36 109.5(8) . . . . ?
B1 C31 B4 C36 146.9(8) . . . . ?
C32 C31 B4 B9 149.3(9) . . . . ?
B3 C31 B4 B9 38.6(5) . . . . ?
B2 C31 B4 B9 1.5(7) . . . . ?
B5 C31 B4 B9 -102.1(6) . . . . ?
B1 C31 B4 B9 -64.7(7) . . . . ?
C32 C31 B4 B3 110.6(10) . . . . ?
B2 C31 B4 B3 -37.1(5) . . . . ?
B5 C31 B4 B3 -140.7(6) . . . . ?
B1 C31 B4 B3 -103.3(6) . . . . ?
C32 C31 B4 B10 -147.4(9) . . . . ?
B3 C31 B4 B10 101.9(6) . . . . ?
B2 C31 B4 B10 64.8(7) . . . . ?
B5 C31 B4 B10 -38.8(5) . . . . ?
B1 C31 B4 B10 -1.4(7) . . . . ?
C32 C31 B4 B5 -108.7(9) . . . . ?
B3 C31 B4 B5 140.7(6) . . . . ?
B2 C31 B4 B5 103.5(6) . . . . ?
B1 C31 B4 B5 37.4(5) . . . . ?
C35 B3 B4 C36 0.3(12) . . . . ?
C31 B3 B4 C36 109.6(8) . . . . ?
B8 B3 B4 C36 -151.7(8) . . . . ?
B2 B3 B4 C36 145.3(8) . . . . ?
B9 B3 B4 C36 -113.9(8) . . . . ?
C35 B3 B4 C31 -109.2(9) . . . . ?
B8 B3 B4 C31 98.7(6) . . . . ?
B2 B3 B4 C31 35.8(5) . . . . ?
B9 B3 B4 C31 136.6(6) . . . . ?
C35 B3 B4 B9 114.2(9) . . . . ?
C31 B3 B4 B9 -136.6(6) . . . . ?
B8 B3 B4 B9 -37.8(5) . . . . ?
B2 B3 B4 B9 -100.8(6) . . . . ?
C35 B3 B4 B10 151.6(8) . . . . ?
C31 B3 B4 B10 -99.2(6) . . . . ?
B8 B3 B4 B10 -0.5(7) . . . . ?
B2 B3 B4 B10 -63.4(7) . . . . ?
B9 B3 B4 B10 37.4(5) . . . . ?
C35 B3 B4 B5 -144.4(8) . . . . ?
C31 B3 B4 B5 -35.1(5) . . . . ?
B8 B3 B4 B5 63.6(7) . . . . ?
B2 B3 B4 B5 0.7(7) . . . . ?
B9 B3 B4 B5 101.4(6) . . . . ?
C32 C31 B5 C37 0.1(12) . . . . ?
B4 C31 B5 C37 -111.6(8) . . . . ?
B3 C31 B5 C37 -148.2(8) . . . . ?
B2 C31 B5 C37 145.8(8) . . . . ?
B1 C31 B5 C37 108.9(8) . . . . ?
C32 C31 B5 B1 -108.8(8) . . . . ?
B4 C31 B5 B1 139.6(6) . . . . ?
B3 C31 B5 B1 103.0(6) . . . . ?
B2 C31 B5 B1 36.9(5) . . . . ?
C32 C31 B5 B4 111.7(8) . . . . ?
B3 C31 B5 B4 -36.6(5) . . . . ?
B2 C31 B5 B4 -102.6(6) . . . . ?
B1 C31 B5 B4 -139.6(6) . . . . ?
C32 C31 B5 B6 -147.1(8) . . . . ?
B4 C31 B5 B6 101.2(6) . . . . ?
B3 C31 B5 B6 64.6(7) . . . . ?
B2 C31 B5 B6 -1.4(7) . . . . ?
B1 C31 B5 B6 -38.4(5) . . . . ?
C32 C31 B5 B10 150.0(8) . . . . ?
B4 C31 B5 B10 38.3(5) . . . . ?
B3 C31 B5 B10 1.7(7) . . . . ?
B2 C31 B5 B10 -64.3(7) . . . . ?
B1 C31 B5 B10 -101.3(6) . . . . ?
C33 B1 B5 C37 -0.1(12) . . . . ?
C31 B1 B5 C37 -110.6(9) . . . . ?
B7 B1 B5 C37 151.3(8) . . . . ?
B6 B1 B5 C37 113.0(9) . . . . ?
B2 B1 B5 C37 -145.8(8) . . . . ?
C33 B1 B5 C31 110.5(8) . . . . ?
B7 B1 B5 C31 -98.1(6) . . . . ?
B6 B1 B5 C31 -136.4(6) . . . . ?
B2 B1 B5 C31 -35.1(5) . . . . ?
C33 B1 B5 B4 146.3(7) . . . . ?
C31 B1 B5 B4 35.8(5) . . . . ?
B7 B1 B5 B4 -62.3(7) . . . . ?
B6 B1 B5 B4 -100.6(6) . . . . ?
B2 B1 B5 B4 0.6(7) . . . . ?
C33 B1 B5 B6 -113.1(8) . . . . ?
C31 B1 B5 B6 136.4(6) . . . . ?
B7 B1 B5 B6 38.3(5) . . . . ?
B2 B1 B5 B6 101.2(6) . . . . ?
C33 B1 B5 B10 -150.7(7) . . . . ?
C31 B1 B5 B10 98.9(6) . . . . ?
B7 B1 B5 B10 0.8(7) . . . . ?
B6 B1 B5 B10 -37.5(5) . . . . ?
B2 B1 B5 B10 63.7(7) . . . . ?
C36 B4 B5 C37 -0.1(11) . . . . ?
C31 B4 B5 C37 109.6(8) . . . . ?
B9 B4 B5 C37 -151.3(8) . . . . ?
B3 B4 B5 C37 144.7(8) . . . . ?
B10 B4 B5 C37 -113.9(8) . . . . ?
C36 B4 B5 C31 -109.7(8) . . . . ?
B9 B4 B5 C31 99.1(6) . . . . ?
B3 B4 B5 C31 35.1(5) . . . . ?
B10 B4 B5 C31 136.5(6) . . . . ?
C36 B4 B5 B1 -145.6(7) . . . . ?
C31 B4 B5 B1 -35.9(5) . . . . ?
B9 B4 B5 B1 63.2(7) . . . . ?
B3 B4 B5 B1 -0.8(7) . . . . ?
B10 B4 B5 B1 100.6(6) . . . . ?
C36 B4 B5 B6 151.4(7) . . . . ?
C31 B4 B5 B6 -98.9(6) . . . . ?
B9 B4 B5 B6 0.2(7) . . . . ?
B3 B4 B5 B6 -63.8(7) . . . . ?
B10 B4 B5 B6 37.6(5) . . . . ?
C36 B4 B5 B10 113.8(8) . . . . ?
C31 B4 B5 B10 -136.5(6) . . . . ?
B9 B4 B5 B10 -37.4(5) . . . . ?
B3 B4 B5 B10 -101.4(6) . . . . ?
C33 B1 B6 C38 -1.5(12) . . . . ?
C31 B1 B6 C38 -149.6(8) . . . . ?
B7 B1 B6 C38 111.1(8) . . . . ?
B5 B1 B6 C38 -111.3(9) . . . . ?
B2 B1 B6 C38 148.1(8) . . . . ?
C33 B1 B6 B11 -149.3(8) . . . . ?
C31 B1 B6 B11 62.7(7) . . . . ?
B7 B1 B6 B11 -36.7(5) . . . . ?
B5 B1 B6 B11 101.0(6) . . . . ?
B2 B1 B6 B11 0.3(7) . . . . ?
C33 B1 B6 B5 109.8(9) . . . . ?
C31 B1 B6 B5 -38.3(5) . . . . ?
B7 B1 B6 B5 -137.6(6) . . . . ?
B2 B1 B6 B5 -100.6(6) . . . . ?
C33 B1 B6 B7 -112.6(9) . . . . ?
C31 B1 B6 B7 99.4(6) . . . . ?
B5 B1 B6 B7 137.6(6) . . . . ?
B2 B1 B6 B7 37.0(5) . . . . ?
C33 B1 B6 B10 147.5(8) . . . . ?
C31 B1 B6 B10 -0.6(7) . . . . ?
B7 B1 B6 B10 -99.9(6) . . . . ?
B5 B1 B6 B10 37.7(5) . . . . ?
B2 B1 B6 B10 -62.9(7) . . . . ?
C37 B5 B6 C38 1.6(12) . . . . ?
C31 B5 B6 C38 148.1(8) . . . . ?
B1 B5 B6 C38 109.8(9) . . . . ?
B4 B5 B6 C38 -149.7(8) . . . . ?
B10 B5 B6 C38 -112.3(9) . . . . ?
C37 B5 B6 B1 -108.2(8) . . . . ?
C31 B5 B6 B1 38.3(5) . . . . ?
B4 B5 B6 B1 100.5(6) . . . . ?
B10 B5 B6 B1 137.9(6) . . . . ?
C37 B5 B6 B11 151.6(7) . . . . ?
C31 B5 B6 B11 -61.9(7) . . . . ?
B1 B5 B6 B11 -100.2(6) . . . . ?
B4 B5 B6 B11 0.3(7) . . . . ?
B10 B5 B6 B11 37.7(5) . . . . ?
C37 B5 B6 B7 -145.5(8) . . . . ?
C31 B5 B6 B7 1.0(7) . . . . ?
B1 B5 B6 B7 -37.3(5) . . . . ?
B4 B5 B6 B7 63.2(7) . . . . ?
B10 B5 B6 B7 100.7(6) . . . . ?
C37 B5 B6 B10 113.8(8) . . . . ?
C31 B5 B6 B10 -99.7(6) . . . . ?
B1 B5 B6 B10 -137.9(6) . . . . ?
B4 B5 B6 B10 -37.5(5) . . . . ?
C33 B1 B7 C39 2.1(11) . . . . ?
C31 B1 B7 C39 149.0(7) . . . . ?
B6 B1 B7 C39 -110.6(8) . . . . ?
B5 B1 B7 C39 -148.6(7) . . . . ?
B2 B1 B7 C39 111.0(8) . . . . ?
C33 B1 B7 B2 -108.9(8) . . . . ?
C31 B1 B7 B2 37.9(5) . . . . ?
B6 B1 B7 B2 138.4(5) . . . . ?
B5 B1 B7 B2 100.4(6) . . . . ?
C33 B1 B7 B8 -146.6(7) . . . . ?
C31 B1 B7 B8 0.2(7) . . . . ?
B6 B1 B7 B8 100.7(6) . . . . ?
B5 B1 B7 B8 62.6(7) . . . . ?
B2 B1 B7 B8 -37.7(5) . . . . ?
C33 B1 B7 B11 149.7(7) . . . . ?
C31 B1 B7 B11 -63.5(6) . . . . ?
B6 B1 B7 B11 37.0(5) . . . . ?
B5 B1 B7 B11 -1.0(7) . . . . ?
B2 B1 B7 B11 -101.4(6) . . . . ?
C33 B1 B7 B6 112.7(8) . . . . ?
C31 B1 B7 B6 -100.5(5) . . . . ?
B5 B1 B7 B6 -38.0(5) . . . . ?
B2 B1 B7 B6 -138.4(5) . . . . ?
C34 B2 B7 C39 -1.9(12) . . . . ?
C31 B2 B7 C39 -148.5(8) . . . . ?
B8 B2 B7 C39 111.6(9) . . . . ?
B3 B2 B7 C39 149.0(8) . . . . ?
B1 B2 B7 C39 -110.4(9) . . . . ?
C34 B2 B7 B1 108.5(8) . . . . ?
C31 B2 B7 B1 -38.1(5) . . . . ?
B8 B2 B7 B1 -138.0(5) . . . . ?
B3 B2 B7 B1 -100.6(6) . . . . ?
C34 B2 B7 B8 -113.5(9) . . . . ?
C31 B2 B7 B8 99.9(6) . . . . ?
B3 B2 B7 B8 37.4(5) . . . . ?
B1 B2 B7 B8 138.0(5) . . . . ?
C34 B2 B7 B11 -150.4(8) . . . . ?
C31 B2 B7 B11 63.0(7) . . . . ?
B8 B2 B7 B11 -36.9(5) . . . . ?
B3 B2 B7 B11 0.5(7) . . . . ?
B1 B2 B7 B11 101.1(6) . . . . ?
C34 B2 B7 B6 145.9(8) . . . . ?
C31 B2 B7 B6 -0.7(7) . . . . ?
B8 B2 B7 B6 -100.6(6) . . . . ?
B3 B2 B7 B6 -63.2(7) . . . . ?
B1 B2 B7 B6 37.4(5) . . . . ?
C38 B6 B7 C39 0.6(12) . . . . ?
B1 B6 B7 C39 109.9(9) . . . . ?
B11 B6 B7 C39 -111.4(9) . . . . ?
B5 B6 B7 C39 147.6(8) . . . . ?
B10 B6 B7 C39 -149.0(8) . . . . ?
C38 B6 B7 B1 -109.3(9) . . . . ?
B11 B6 B7 B1 138.7(5) . . . . ?
B5 B6 B7 B1 37.7(5) . . . . ?
B10 B6 B7 B1 101.1(6) . . . . ?
C38 B6 B7 B2 -147.2(8) . . . . ?
B1 B6 B7 B2 -37.9(5) . . . . ?
B11 B6 B7 B2 100.8(6) . . . . ?
B5 B6 B7 B2 -0.2(7) . . . . ?
B10 B6 B7 B2 63.2(7) . . . . ?
C38 B6 B7 B8 149.1(8) . . . . ?
B1 B6 B7 B8 -101.6(6) . . . . ?
B11 B6 B7 B8 37.1(5) . . . . ?
B5 B6 B7 B8 -63.9(7) . . . . ?
B10 B6 B7 B8 -0.5(7) . . . . ?
C38 B6 B7 B11 112.0(9) . . . . ?
B1 B6 B7 B11 -138.7(5) . . . . ?
B5 B6 B7 B11 -101.0(6) . . . . ?
B10 B6 B7 B11 -37.6(5) . . . . ?
C34 B2 B8 C40 0.2(12) . . . . ?
C31 B2 B8 C40 149.3(7) . . . . ?
B7 B2 B8 C40 -111.1(8) . . . . ?
B3 B2 B8 C40 110.6(8) . . . . ?
B1 B2 B8 C40 -148.3(7) . . . . ?
C34 B2 B8 B7 111.3(8) . . . . ?
C31 B2 B8 B7 -99.6(6) . . . . ?
B3 B2 B8 B7 -138.3(5) . . . . ?
B1 B2 B8 B7 -37.2(5) . . . . ?
C34 B2 B8 B3 -110.4(8) . . . . ?
C31 B2 B8 B3 38.7(5) . . . . ?
B7 B2 B8 B3 138.3(5) . . . . ?
B1 B2 B8 B3 101.1(6) . . . . ?
C34 B2 B8 B11 148.2(8) . . . . ?
C31 B2 B8 B11 -62.6(7) . . . . ?
B7 B2 B8 B11 37.0(5) . . . . ?
B3 B2 B8 B11 -101.3(6) . . . . ?
B1 B2 B8 B11 -0.3(7) . . . . ?
C34 B2 B8 B9 -147.8(8) . . . . ?
C31 B2 B8 B9 1.4(7) . . . . ?
B7 B2 B8 B9 101.0(6) . . . . ?
B3 B2 B8 B9 -37.3(5) . . . . ?
B1 B2 B8 B9 63.8(7) . . . . ?
C39 B7 B8 C40 -1.0(12) . . . . ?
B1 B7 B8 C40 147.3(7) . . . . ?
B2 B7 B8 C40 109.1(8) . . . . ?
B11 B7 B8 C40 -112.0(8) . . . . ?
B6 B7 B8 C40 -149.1(8) . . . . ?
C39 B7 B8 B2 -110.1(8) . . . . ?
B1 B7 B8 B2 38.2(5) . . . . ?
B11 B7 B8 B2 138.9(5) . . . . ?
B6 B7 B8 B2 101.8(6) . . . . ?
C39 B7 B8 B3 -147.5(8) . . . . ?
B1 B7 B8 B3 0.8(7) . . . . ?
B2 B7 B8 B3 -37.4(5) . . . . ?
B11 B7 B8 B3 101.5(6) . . . . ?
B6 B7 B8 B3 64.4(7) . . . . ?
C39 B7 B8 B11 111.1(9) . . . . ?
B1 B7 B8 B11 -100.7(6) . . . . ?
B2 B7 B8 B11 -138.9(5) . . . . ?
B6 B7 B8 B11 -37.1(5) . . . . ?
C39 B7 B8 B9 148.6(8) . . . . ?
B1 B7 B8 B9 -63.1(7) . . . . ?
B2 B7 B8 B9 -101.3(6) . . . . ?
B11 B7 B8 B9 37.6(5) . . . . ?
B6 B7 B8 B9 0.5(7) . . . . ?
C35 B3 B8 C40 -1.4(12) . . . . ?
C31 B3 B8 C40 -148.2(8) . . . . ?
B2 B3 B8 C40 -109.5(8) . . . . ?
B4 B3 B8 C40 149.6(8) . . . . ?
B9 B3 B8 C40 111.9(8) . . . . ?
C35 B3 B8 B2 108.2(9) . . . . ?
C31 B3 B8 B2 -38.7(5) . . . . ?
B4 B3 B8 B2 -100.9(6) . . . . ?
B9 B3 B8 B2 -138.6(5) . . . . ?
C35 B3 B8 B7 145.3(8) . . . . ?
C31 B3 B8 B7 -1.5(7) . . . . ?
B2 B3 B8 B7 37.2(5) . . . . ?
B4 B3 B8 B7 -63.7(7) . . . . ?
B9 B3 B8 B7 -101.4(6) . . . . ?
C35 B3 B8 B11 -150.9(8) . . . . ?
C31 B3 B8 B11 62.3(7) . . . . ?
B2 B3 B8 B11 101.0(6) . . . . ?
B4 B3 B8 B11 0.1(7) . . . . ?
B9 B3 B8 B11 -37.6(5) . . . . ?
C35 B3 B8 B9 -113.2(9) . . . . ?
C31 B3 B8 B9 99.9(6) . . . . ?
B2 B3 B8 B9 138.6(5) . . . . ?
B4 B3 B8 B9 37.7(5) . . . . ?
C36 B4 B9 C41 -0.8(12) . . . . ?
C31 B4 B9 C41 -147.9(7) . . . . ?
B3 B4 B9 C41 -109.7(8) . . . . ?
B10 B4 B9 C41 111.8(8) . . . . ?
B5 B4 B9 C41 149.3(7) . . . . ?
C36 B4 B9 B8 146.6(8) . . . . ?
C31 B4 B9 B8 -0.6(7) . . . . ?
B3 B4 B9 B8 37.6(5) . . . . ?
B10 B4 B9 B8 -100.9(6) . . . . ?
B5 B4 B9 B8 -63.4(7) . . . . ?
C36 B4 B9 B3 108.9(9) . . . . ?
C31 B4 B9 B3 -38.2(5) . . . . ?
B10 B4 B9 B3 -138.5(5) . . . . ?
B5 B4 B9 B3 -101.0(6) . . . . ?
C36 B4 B9 B10 -112.6(8) . . . . ?
C31 B4 B9 B10 100.3(6) . . . . ?
B3 B4 B9 B10 138.5(5) . . . . ?
B5 B4 B9 B10 37.5(5) . . . . ?
C36 B4 B9 B11 -150.6(8) . . . . ?
C31 B4 B9 B11 62.2(7) . . . . ?
B3 B4 B9 B11 100.5(6) . . . . ?
B10 B4 B9 B11 -38.0(5) . . . . ?
B5 B4 B9 B11 -0.6(7) . . . . ?
C40 B8 B9 C41 -1.1(12) . . . . ?
B2 B8 B9 C41 146.1(8) . . . . ?
B7 B8 B9 C41 -150.5(8) . . . . ?
B3 B8 B9 C41 108.9(8) . . . . ?
B11 B8 B9 C41 -112.9(8) . . . . ?
C40 B8 B9 B4 -147.7(7) . . . . ?
B2 B8 B9 B4 -0.5(7) . . . . ?
B7 B8 B9 B4 62.9(7) . . . . ?
B3 B8 B9 B4 -37.8(5) . . . . ?
B11 B8 B9 B4 100.5(6) . . . . ?
C40 B8 B9 B3 -109.9(8) . . . . ?
B2 B8 B9 B3 37.3(5) . . . . ?
B7 B8 B9 B3 100.7(6) . . . . ?
B11 B8 B9 B3 138.2(6) . . . . ?
C40 B8 B9 B10 149.0(7) . . . . ?
B2 B8 B9 B10 -63.8(7) . . . . ?
B7 B8 B9 B10 -0.4(7) . . . . ?
B3 B8 B9 B10 -101.0(6) . . . . ?
B11 B8 B9 B10 37.2(5) . . . . ?
C40 B8 B9 B11 111.8(8) . . . . ?
B2 B8 B9 B11 -100.9(6) . . . . ?
B7 B8 B9 B11 -37.5(5) . . . . ?
B3 B8 B9 B11 -138.2(6) . . . . ?
C35 B3 B9 C41 1.0(12) . . . . ?
C31 B3 B9 C41 148.3(8) . . . . ?
B8 B3 B9 C41 -112.2(8) . . . . ?
B2 B3 B9 C41 -149.1(8) . . . . ?
B4 B3 B9 C41 110.3(8) . . . . ?
C35 B3 B9 B4 -109.2(9) . . . . ?
C31 B3 B9 B4 38.0(5) . . . . ?
B8 B3 B9 B4 137.5(5) . . . . ?
B2 B3 B9 B4 100.6(6) . . . . ?
C35 B3 B9 B8 113.3(9) . . . . ?
C31 B3 B9 B8 -99.5(6) . . . . ?
B2 B3 B9 B8 -36.9(5) . . . . ?
B4 B3 B9 B8 -137.5(5) . . . . ?
C35 B3 B9 B10 -146.4(8) . . . . ?
C31 B3 B9 B10 0.9(7) . . . . ?
B8 B3 B9 B10 100.4(6) . . . . ?
B2 B3 B9 B10 63.5(7) . . . . ?
B4 B3 B9 B10 -37.1(5) . . . . ?
C35 B3 B9 B11 150.3(8) . . . . ?
C31 B3 B9 B11 -62.4(7) . . . . ?
B8 B3 B9 B11 37.1(5) . . . . ?
B2 B3 B9 B11 0.2(7) . . . . ?
B4 B3 B9 B11 -100.4(6) . . . . ?
C36 B4 B10 C42 1.6(12) . . . . ?
C31 B4 B10 C42 148.6(7) . . . . ?
B9 B4 B10 C42 -111.3(8) . . . . ?
B3 B4 B10 C42 -148.6(7) . . . . ?
B5 B4 B10 C42 110.3(8) . . . . ?
C36 B4 B10 B11 150.9(8) . . . . ?
C31 B4 B10 B11 -62.1(7) . . . . ?
B9 B4 B10 B11 38.1(5) . . . . ?
B3 B4 B10 B11 0.7(7) . . . . ?
B5 B4 B10 B11 -100.4(6) . . . . ?
C36 B4 B10 B9 112.8(9) . . . . ?
C31 B4 B10 B9 -100.1(6) . . . . ?
B3 B4 B10 B9 -37.4(5) . . . . ?
B5 B4 B10 B9 -138.5(5) . . . . ?
C36 B4 B10 B6 -146.1(8) . . . . ?
C31 B4 B10 B6 1.0(7) . . . . ?
B9 B4 B10 B6 101.1(6) . . . . ?
B3 B4 B10 B6 63.7(7) . . . . ?
B5 B4 B10 B6 -37.4(5) . . . . ?
C36 B4 B10 B5 -108.7(9) . . . . ?
C31 B4 B10 B5 38.4(5) . . . . ?
B9 B4 B10 B5 138.5(5) . . . . ?
B3 B4 B10 B5 101.1(6) . . . . ?
C41 B9 B10 C42 0.6(12) . . . . ?
B4 B9 B10 C42 110.2(9) . . . . ?
B8 B9 B10 C42 -149.6(8) . . . . ?
B3 B9 B10 C42 147.3(8) . . . . ?
B11 B9 B10 C42 -112.6(9) . . . . ?
C41 B9 B10 B4 -109.6(8) . . . . ?
B8 B9 B10 B4 100.2(6) . . . . ?
B3 B9 B10 B4 37.1(5) . . . . ?
B11 B9 B10 B4 137.2(6) . . . . ?
C41 B9 B10 B11 113.2(8) . . . . ?
B4 B9 B10 B11 -137.2(6) . . . . ?
B8 B9 B10 B11 -37.1(5) . . . . ?
B3 B9 B10 B11 -100.1(6) . . . . ?
C41 B9 B10 B6 150.3(8) . . . . ?
B4 B9 B10 B6 -100.1(6) . . . . ?
B8 B9 B10 B6 0.1(7) . . . . ?
B3 B9 B10 B6 -63.0(7) . . . . ?
B11 B9 B10 B6 37.1(5) . . . . ?
C41 B9 B10 B5 -146.6(8) . . . . ?
B4 B9 B10 B5 -37.0(5) . . . . ?
B8 B9 B10 B5 63.1(7) . . . . ?
B3 B9 B10 B5 0.1(7) . . . . ?
B11 B9 B10 B5 100.2(6) . . . . ?
C38 B6 B10 C42 0.7(12) . . . . ?
B1 B6 B10 C42 -147.6(8) . . . . ?
B11 B6 B10 C42 112.4(9) . . . . ?
B5 B6 B10 C42 -109.9(9) . . . . ?
B7 B6 B10 C42 149.9(8) . . . . ?
C38 B6 B10 B4 148.0(8) . . . . ?
B1 B6 B10 B4 -0.3(7) . . . . ?
B11 B6 B10 B4 -100.3(6) . . . . ?
B5 B6 B10 B4 37.4(5) . . . . ?
B7 B6 B10 B4 -62.8(7) . . . . ?
C38 B6 B10 B11 -111.7(9) . . . . ?
B1 B6 B10 B11 100.0(6) . . . . ?
B5 B6 B10 B11 137.7(6) . . . . ?
B7 B6 B10 B11 37.5(5) . . . . ?
C38 B6 B10 B9 -148.9(8) . . . . ?
B1 B6 B10 B9 62.8(7) . . . . ?
B11 B6 B10 B9 -37.2(5) . . . . ?
B5 B6 B10 B9 100.5(6) . . . . ?
B7 B6 B10 B9 0.3(7) . . . . ?
C38 B6 B10 B5 110.6(9) . . . . ?
B1 B6 B10 B5 -37.7(5) . . . . ?
B11 B6 B10 B5 -137.7(6) . . . . ?
B7 B6 B10 B5 -100.2(6) . . . . ?
C37 B5 B10 C42 0.0(13) . . . . ?
C31 B5 B10 C42 -148.6(8) . . . . ?
B1 B5 B10 C42 148.9(8) . . . . ?
B4 B5 B10 C42 -110.6(9) . . . . ?
B6 B5 B10 C42 111.5(9) . . . . ?
C37 B5 B10 B4 110.6(9) . . . . ?
C31 B5 B10 B4 -38.0(5) . . . . ?
B1 B5 B10 B4 -100.5(6) . . . . ?
B6 B5 B10 B4 -137.9(5) . . . . ?
C37 B5 B10 B11 -149.1(8) . . . . ?
C31 B5 B10 B11 62.3(7) . . . . ?
B1 B5 B10 B11 -0.2(7) . . . . ?
B4 B5 B10 B11 100.3(6) . . . . ?
B6 B5 B10 B11 -37.6(5) . . . . ?
C37 B5 B10 B9 147.5(8) . . . . ?
C31 B5 B10 B9 -1.1(7) . . . . ?
B1 B5 B10 B9 -63.6(7) . . . . ?
B4 B5 B10 B9 37.0(5) . . . . ?
B6 B5 B10 B9 -100.9(6) . . . . ?
C37 B5 B10 B6 -111.5(9) . . . . ?
C31 B5 B10 B6 99.9(6) . . . . ?
B1 B5 B10 B6 37.4(5) . . . . ?
B4 B5 B10 B6 137.9(5) . . . . ?
C40 B8 B11 C43 1.7(12) . . . . ?
B2 B8 B11 C43 -145.5(8) . . . . ?
B7 B8 B11 C43 -108.7(8) . . . . ?
B3 B8 B11 C43 150.6(8) . . . . ?
B9 B8 B11 C43 113.0(9) . . . . ?
C40 B8 B11 B7 110.4(8) . . . . ?
B2 B8 B11 B7 -36.8(5) . . . . ?
B3 B8 B11 B7 -100.6(6) . . . . ?
B9 B8 B11 B7 -138.3(5) . . . . ?
C40 B8 B11 B6 147.6(8) . . . . ?
B2 B8 B11 B6 0.5(7) . . . . ?
B7 B8 B11 B6 37.2(5) . . . . ?
B3 B8 B11 B6 -63.4(7) . . . . ?
B9 B8 B11 B6 -101.0(6) . . . . ?
C40 B8 B11 B10 -148.6(8) . . . . ?
B2 B8 B11 B10 64.2(7) . . . . ?
B7 B8 B11 B10 101.0(6) . . . . ?
B3 B8 B11 B10 0.3(8) . . . . ?
B9 B8 B11 B10 -37.3(5) . . . . ?
C40 B8 B11 B9 -111.3(8) . . . . ?
B2 B8 B11 B9 101.5(6) . . . . ?
B7 B8 B11 B9 138.3(5) . . . . ?
B3 B8 B11 B9 37.6(5) . . . . ?
C39 B7 B11 C43 0.3(12) . . . . ?
B1 B7 B11 C43 -146.8(7) . . . . ?
B2 B7 B11 C43 148.5(7) . . . . ?
B8 B7 B11 C43 111.6(8) . . . . ?
B6 B7 B11 C43 -109.8(8) . . . . ?
C39 B7 B11 B8 -111.3(9) . . . . ?
B1 B7 B11 B8 101.6(6) . . . . ?
B2 B7 B11 B8 36.9(5) . . . . ?
B6 B7 B11 B8 138.6(6) . . . . ?
C39 B7 B11 B6 110.1(8) . . . . ?
B1 B7 B11 B6 -37.0(5) . . . . ?
B2 B7 B11 B6 -101.7(6) . . . . ?
B8 B7 B11 B6 -138.6(6) . . . . ?
C39 B7 B11 B10 148.0(8) . . . . ?
B1 B7 B11 B10 0.9(7) . . . . ?
B2 B7 B11 B10 -63.8(7) . . . . ?
B8 B7 B11 B10 -100.7(6) . . . . ?
B6 B7 B11 B10 37.9(5) . . . . ?
C39 B7 B11 B9 -148.6(8) . . . . ?
B1 B7 B11 B9 64.3(7) . . . . ?
B2 B7 B11 B9 -0.4(7) . . . . ?
B8 B7 B11 B9 -37.3(5) . . . . ?
B6 B7 B11 B9 101.3(6) . . . . ?
C38 B6 B11 C43 -0.9(12) . . . . ?
B1 B6 B11 C43 146.1(8) . . . . ?
B5 B6 B11 C43 -150.5(7) . . . . ?
B7 B6 B11 C43 109.6(8) . . . . ?
B10 B6 B11 C43 -112.6(8) . . . . ?
C38 B6 B11 B8 -147.5(8) . . . . ?
B1 B6 B11 B8 -0.5(7) . . . . ?
B5 B6 B11 B8 62.9(7) . . . . ?
B7 B6 B11 B8 -37.0(5) . . . . ?
B10 B6 B11 B8 100.8(6) . . . . ?
C38 B6 B11 B7 -110.5(9) . . . . ?
B1 B6 B11 B7 36.5(5) . . . . ?
B5 B6 B11 B7 99.9(6) . . . . ?
B10 B6 B11 B7 137.8(6) . . . . ?
C38 B6 B11 B10 111.7(9) . . . . ?
B1 B6 B11 B10 -101.3(6) . . . . ?
B5 B6 B11 B10 -37.9(5) . . . . ?
B7 B6 B11 B10 -137.8(6) . . . . ?
C38 B6 B11 B9 149.0(8) . . . . ?
B1 B6 B11 B9 -64.1(7) . . . . ?
B5 B6 B11 B9 -0.6(7) . . . . ?
B7 B6 B11 B9 -100.5(6) . . . . ?
B10 B6 B11 B9 37.2(5) . . . . ?
C42 B10 B11 C43 -2.0(12) . . . . ?
B4 B10 B11 C43 -150.7(8) . . . . ?
B9 B10 B11 C43 -112.8(9) . . . . ?
B6 B10 B11 C43 108.8(8) . . . . ?
B5 B10 B11 C43 146.3(8) . . . . ?
C42 B10 B11 B8 148.0(8) . . . . ?
B4 B10 B11 B8 -0.6(7) . . . . ?
B9 B10 B11 B8 37.3(5) . . . . ?
B6 B10 B11 B8 -101.2(6) . . . . ?
B5 B10 B11 B8 -63.6(7) . . . . ?
C42 B10 B11 B7 -148.8(8) . . . . ?
B4 B10 B11 B7 62.6(7) . . . . ?
B9 B10 B11 B7 100.5(6) . . . . ?
B6 B10 B11 B7 -37.9(5) . . . . ?
B5 B10 B11 B7 -0.4(7) . . . . ?
C42 B10 B11 B6 -110.8(9) . . . . ?
B4 B10 B11 B6 100.5(6) . . . . ?
B9 B10 B11 B6 138.4(6) . . . . ?
B5 B10 B11 B6 37.5(5) . . . . ?
C42 B10 B11 B9 110.7(8) . . . . ?
B4 B10 B11 B9 -37.9(5) . . . . ?
B6 B10 B11 B9 -138.4(6) . . . . ?
B5 B10 B11 B9 -100.9(6) . . . . ?
C41 B9 B11 C43 0.6(12) . . . . ?
B4 B9 B11 C43 149.4(8) . . . . ?
B8 B9 B11 C43 -110.4(8) . . . . ?
B3 B9 B11 C43 -147.4(8) . . . . ?
B10 B9 B11 C43 111.3(9) . . . . ?
C41 B9 B11 B8 111.0(9) . . . . ?
B4 B9 B11 B8 -100.2(6) . . . . ?
B3 B9 B11 B8 -37.1(5) . . . . ?
B10 B9 B11 B8 -138.3(6) . . . . ?
C41 B9 B11 B7 148.2(8) . . . . ?
B4 B9 B11 B7 -63.1(7) . . . . ?
B8 B9 B11 B7 37.2(5) . . . . ?
B3 B9 B11 B7 0.1(7) . . . . ?
B10 B9 B11 B7 -101.1(6) . . . . ?
C41 B9 B11 B6 -148.0(8) . . . . ?
B4 B9 B11 B6 0.7(7) . . . . ?
B8 B9 B11 B6 101.0(6) . . . . ?
B3 B9 B11 B6 63.9(7) . . . . ?
B10 B9 B11 B6 -37.3(5) . . . . ?
C41 B9 B11 B10 -110.7(9) . . . . ?
B4 B9 B11 B10 38.1(5) . . . . ?
B8 B9 B11 B10 138.3(6) . . . . ?
B3 B9 B11 B10 101.3(6) . . . . ?
C32B C31B B1B C33B -0.6(13) . . . . ?
B4B C31B B1B C33B -147.6(8) . . . . ?
B3B C31B B1B C33B 146.8(8) . . . . ?
B2B C31B B1B C33B 109.7(9) . . . . ?
B5B C31B B1B C33B -110.1(9) . . . . ?
C32B C31B B1B B7B -148.7(9) . . . . ?
B4B C31B B1B B7B 64.4(7) . . . . ?
B3B C31B B1B B7B -1.2(7) . . . . ?
B2B C31B B1B B7B -38.3(5) . . . . ?
B5B C31B B1B B7B 101.9(6) . . . . ?
C32B C31B B1B B6B 147.8(9) . . . . ?
B4B C31B B1B B6B 0.8(8) . . . . ?
B3B C31B B1B B6B -64.8(7) . . . . ?
B2B C31B B1B B6B -101.9(6) . . . . ?
B5B C31B B1B B6B 38.3(5) . . . . ?
C32B C31B B1B B5B 109.5(10) . . . . ?
B4B C31B B1B B5B -37.5(6) . . . . ?
B3B C31B B1B B5B -103.1(6) . . . . ?
B2B C31B B1B B5B -140.2(6) . . . . ?
C32B C31B B1B B2B -110.4(10) . . . . ?
B4B C31B B1B B2B 102.7(6) . . . . ?
B3B C31B B1B B2B 37.1(6) . . . . ?
B5B C31B B1B B2B 140.2(6) . . . . ?
C32B C31B B2B C34B 2.4(13) . . . . ?
B4B C31B B2B C34B 147.8(8) . . . . ?
B3B C31B B2B C34B 110.5(9) . . . . ?
B1B C31B B2B C34B -109.7(9) . . . . ?
B5B C31B B2B C34B -146.5(8) . . . . ?
C32B C31B B2B B8B -147.2(9) . . . . ?
B4B C31B B2B B8B -1.8(8) . . . . ?
B3B C31B B2B B8B -39.1(5) . . . . ?
B1B C31B B2B B8B 100.6(6) . . . . ?
B5B C31B B2B B8B 63.8(7) . . . . ?
C32B C31B B2B B7B 150.3(9) . . . . ?
B4B C31B B2B B7B -64.3(7) . . . . ?
B3B C31B B2B B7B -101.6(6) . . . . ?
B1B C31B B2B B7B 38.2(5) . . . . ?
B5B C31B B2B B7B 1.4(8) . . . . ?
C32B C31B B2B B3B -108.1(10) . . . . ?
B4B C31B B2B B3B 37.3(6) . . . . ?
B1B C31B B2B B3B 139.8(6) . . . . ?
B5B C31B B2B B3B 102.9(6) . . . . ?
C32B C31B B2B B1B 112.1(9) . . . . ?
B4B C31B B2B B1B -102.5(6) . . . . ?
B3B C31B B2B B1B -139.8(6) . . . . ?
B5B C31B B2B B1B -36.8(6) . . . . ?
C33B B1B B2B C34B 3.0(13) . . . . ?
C31B B1B B2B C34B 111.9(9) . . . . ?
B7B B1B B2B C34B -111.6(9) . . . . ?
B6B B1B B2B C34B -148.9(8) . . . . ?
B5B B1B B2B C34B 147.4(8) . . . . ?
C33B B1B B2B C31B -108.9(9) . . . . ?
B7B B1B B2B C31B 136.5(6) . . . . ?
B6B B1B B2B C31B 99.2(6) . . . . ?
B5B B1B B2B C31B 35.6(5) . . . . ?
C33B B1B B2B B8B 152.3(8) . . . . ?
C31B B1B B2B B8B -98.9(6) . . . . ?
B7B B1B B2B B8B 37.6(5) . . . . ?
B6B B1B B2B B8B 0.3(8) . . . . ?
B5B B1B B2B B8B -63.3(7) . . . . ?
C33B B1B B2B B7B 114.6(9) . . . . ?
C31B B1B B2B B7B -136.5(6) . . . . ?
B6B B1B B2B B7B -37.3(5) . . . . ?
B5B B1B B2B B7B -100.9(6) . . . . ?
C33B B1B B2B B3B -144.7(9) . . . . ?
C31B B1B B2B B3B -35.8(5) . . . . ?
B7B B1B B2B B3B 100.7(6) . . . . ?
B6B B1B B2B B3B 63.4(7) . . . . ?
B5B B1B B2B B3B -0.2(8) . . . . ?
C32B C31B B3B C35B 0.8(13) . . . . ?
B4B C31B B3B C35B 109.9(9) . . . . ?
B2B C31B B3B C35B -110.6(9) . . . . ?
B1B C31B B3B C35B -147.9(9) . . . . ?
B5B C31B B3B C35B 146.4(9) . . . . ?
C32B C31B B3B B8B 150.5(9) . . . . ?
B4B C31B B3B B8B -100.3(6) . . . . ?
B2B C31B B3B B8B 39.1(5) . . . . ?
B1B C31B B3B B8B 1.9(8) . . . . ?
B5B C31B B3B B8B -63.9(7) . . . . ?
C32B C31B B3B B2B 111.4(9) . . . . ?
B4B C31B B3B B2B -139.4(6) . . . . ?
B1B C31B B3B B2B -37.2(5) . . . . ?
B5B C31B B3B B2B -103.0(7) . . . . ?
C32B C31B B3B B4B -109.2(9) . . . . ?
B2B C31B B3B B4B 139.4(6) . . . . ?
B1B C31B B3B B4B 102.2(6) . . . . ?
B5B C31B B3B B4B 36.5(6) . . . . ?
C32B C31B B3B B9B -147.0(9) . . . . ?
B4B C31B B3B B9B -37.8(5) . . . . ?
B2B C31B B3B B9B 101.6(6) . . . . ?
B1B C31B B3B B9B 64.4(7) . . . . ?
B5B C31B B3B B9B -1.4(8) . . . . ?
C34B B2B B3B C35B 0.1(13) . . . . ?
C31B B2B B3B C35B 111.8(10) . . . . ?
B8B B2B B3B C35B -112.7(10) . . . . ?
B7B B2B B3B C35B -149.5(9) . . . . ?
B1B B2B B3B C35B 147.6(9) . . . . ?
C34B B2B B3B C31B -111.7(9) . . . . ?
B8B B2B B3B C31B 135.5(6) . . . . ?
B7B B2B B3B C31B 98.7(6) . . . . ?
B1B B2B B3B C31B 35.7(5) . . . . ?
C34B B2B B3B B8B 112.9(9) . . . . ?
C31B B2B B3B B8B -135.5(6) . . . . ?
B7B B2B B3B B8B -36.8(5) . . . . ?
B1B B2B B3B B8B -99.7(6) . . . . ?
C34B B2B B3B B4B -147.7(8) . . . . ?
C31B B2B B3B B4B -36.0(5) . . . . ?
B8B B2B B3B B4B 99.4(6) . . . . ?
B7B B2B B3B B4B 62.6(7) . . . . ?
B1B B2B B3B B4B -0.3(8) . . . . ?
C34B B2B B3B B9B 149.5(8) . . . . ?
C31B B2B B3B B9B -98.8(6) . . . . ?
B8B B2B B3B B9B 36.7(5) . . . . ?
B7B B2B B3B B9B -0.1(8) . . . . ?
B1B B2B B3B B9B -63.1(7) . . . . ?
C32B C31B B4B C36B 1.3(14) . . . . ?
B3B C31B B4B C36B -107.5(10) . . . . ?
B2B C31B B4B C36B -144.8(9) . . . . ?
B1B C31B B4B C36B 149.4(9) . . . . ?
B5B C31B B4B C36B 111.9(10) . . . . ?
C32B C31B B4B B9B 147.4(9) . . . . ?
B3B C31B B4B B9B 38.5(5) . . . . ?
B2B C31B B4B B9B 1.3(8) . . . . ?
B1B C31B B4B B9B -64.5(7) . . . . ?
B5B C31B B4B B9B -102.0(6) . . . . ?
C32B C31B B4B B10B -148.8(9) . . . . ?
B3B C31B B4B B10B 102.3(6) . . . . ?
B2B C31B B4B B10B 65.1(7) . . . . ?
B1B C31B B4B B10B -0.7(8) . . . . ?
B5B C31B B4B B10B -38.2(5) . . . . ?
C32B C31B B4B B3B 108.8(10) . . . . ?
B2B C31B B4B B3B -37.3(5) . . . . ?
B1B C31B B4B B3B -103.1(6) . . . . ?
B5B C31B B4B B3B -140.6(6) . . . . ?
C32B C31B B4B B5B -110.6(10) . . . . ?
B3B C31B B4B B5B 140.6(6) . . . . ?
B2B C31B B4B B5B 103.3(6) . . . . ?
B1B C31B B4B B5B 37.5(6) . . . . ?
C35B B3B B4B C36B 0.3(13) . . . . ?
C31B B3B B4B C36B 112.2(9) . . . . ?
B8B B3B B4B C36B -148.7(8) . . . . ?
B2B B3B B4B C36B 148.3(8) . . . . ?
B9B B3B B4B C36B -110.9(9) . . . . ?
C35B B3B B4B C31B -112.0(10) . . . . ?
B8B B3B B4B C31B 99.0(6) . . . . ?
B2B B3B B4B C31B 36.1(5) . . . . ?
B9B B3B B4B C31B 136.9(6) . . . . ?
C35B B3B B4B B9B 111.2(9) . . . . ?
C31B B3B B4B B9B -136.9(6) . . . . ?
B8B B3B B4B B9B -37.8(5) . . . . ?
B2B B3B B4B B9B -100.8(6) . . . . ?
C35B B3B B4B B10B 148.7(9) . . . . ?
C31B B3B B4B B10B -99.4(6) . . . . ?
B8B B3B B4B B10B -0.3(8) . . . . ?
B2B B3B B4B B10B -63.3(7) . . . . ?
B9B B3B B4B B10B 37.5(5) . . . . ?
C35B B3B B4B B5B -147.3(9) . . . . ?
C31B B3B B4B B5B -35.4(5) . . . . ?
B8B B3B B4B B5B 63.7(7) . . . . ?
B2B B3B B4B B5B 0.7(8) . . . . ?
B9B B3B B4B B5B 101.5(6) . . . . ?
C32B C31B B5B C37B -0.9(13) . . . . ?
B4B C31B B5B C37B -109.5(10) . . . . ?
B3B C31B B5B C37B -146.0(9) . . . . ?
B2B C31B B5B C37B 148.3(9) . . . . ?
B1B C31B B5B C37B 111.4(10) . . . . ?
C32B C31B B5B B6B -150.3(8) . . . . ?
B4B C31B B5B B6B 101.1(6) . . . . ?
B3B C31B B5B B6B 64.6(7) . . . . ?
B2B C31B B5B B6B -1.1(8) . . . . ?
B1B C31B B5B B6B -38.1(5) . . . . ?
C32B C31B B5B B10B 146.5(9) . . . . ?
B4B C31B B5B B10B 37.9(5) . . . . ?
B3B C31B B5B B10B 1.4(8) . . . . ?
B2B C31B B5B B10B -64.4(7) . . . . ?
B1B C31B B5B B10B -101.3(6) . . . . ?
C32B C31B B5B B4B 108.6(9) . . . . ?
B3B C31B B5B B4B -36.5(6) . . . . ?
B2B C31B B5B B4B -102.2(6) . . . . ?
B1B C31B B5B B4B -139.2(6) . . . . ?
C32B C31B B5B B1B -112.2(9) . . . . ?
B4B C31B B5B B1B 139.2(6) . . . . ?
B3B C31B B5B B1B 102.7(7) . . . . ?
B2B C31B B5B B1B 37.0(6) . . . . ?
C36B B4B B5B C37B 0.5(13) . . . . ?
C31B B4B B5B C37B 111.5(9) . . . . ?
B9B B4B B5B C37B -149.0(8) . . . . ?
B10B B4B B5B C37B -111.4(9) . . . . ?
B3B B4B B5B C37B 146.8(8) . . . . ?
C36B B4B B5B C31B -111.0(9) . . . . ?
B9B B4B B5B C31B 99.5(6) . . . . ?
B10B B4B B5B C31B 137.1(6) . . . . ?
B3B B4B B5B C31B 35.3(5) . . . . ?
C36B B4B B5B B6B 149.8(8) . . . . ?
C31B B4B B5B B6B -99.2(6) . . . . ?
B9B B4B B5B B6B 0.4(8) . . . . ?
B10B B4B B5B B6B 37.9(5) . . . . ?
B3B B4B B5B B6B -63.9(7) . . . . ?
C36B B4B B5B B10B 111.9(9) . . . . ?
C31B B4B B5B B10B -137.1(6) . . . . ?
B9B B4B B5B B10B -37.6(5) . . . . ?
B3B B4B B5B B10B -101.8(6) . . . . ?
C36B B4B B5B B1B -147.1(8) . . . . ?
C31B B4B B5B B1B -36.1(5) . . . . ?
B9B B4B B5B B1B 63.4(7) . . . . ?
B10B B4B B5B B1B 101.0(6) . . . . ?
B3B B4B B5B B1B -0.8(8) . . . . ?
C33B B1B B5B C37B -2.0(13) . . . . ?
C31B B1B B5B C37B -111.0(10) . . . . ?
B7B B1B B5B C37B 150.4(9) . . . . ?
B6B B1B B5B C37B 112.2(10) . . . . ?
B2B B1B B5B C37B -146.4(9) . . . . ?
C33B B1B B5B C31B 108.9(9) . . . . ?
B7B B1B B5B C31B -98.7(6) . . . . ?
B6B B1B B5B C31B -136.9(6) . . . . ?
B2B B1B B5B C31B -35.4(5) . . . . ?
C33B B1B B5B B6B -114.2(9) . . . . ?
C31B B1B B5B B6B 136.9(6) . . . . ?
B7B B1B B5B B6B 38.2(5) . . . . ?
B2B B1B B5B B6B 101.4(6) . . . . ?
C33B B1B B5B B10B -152.0(8) . . . . ?
C31B B1B B5B B10B 99.1(6) . . . . ?
B7B B1B B5B B10B 0.4(8) . . . . ?
B6B B1B B5B B10B -37.8(5) . . . . ?
B2B B1B B5B B10B 63.7(7) . . . . ?
C33B B1B B5B B4B 145.0(8) . . . . ?
C31B B1B B5B B4B 36.1(5) . . . . ?
B7B B1B B5B B4B -62.6(7) . . . . ?
B6B B1B B5B B4B -100.8(6) . . . . ?
B2B B1B B5B B4B 0.6(8) . . . . ?
C33B B1B B6B C38B -3.5(13) . . . . ?
C31B B1B B6B C38B -150.3(8) . . . . ?
B7B B1B B6B C38B 110.2(9) . . . . ?
B5B B1B B6B C38B -112.1(9) . . . . ?
B2B B1B B6B C38B 147.1(8) . . . . ?
C33B B1B B6B B5B 108.6(10) . . . . ?
C31B B1B B6B B5B -38.1(5) . . . . ?
B7B B1B B6B B5B -137.7(6) . . . . ?
B2B B1B B6B B5B -100.7(6) . . . . ?
C33B B1B B6B B11B -151.0(9) . . . . ?
C31B B1B B6B B11B 62.3(7) . . . . ?
B7B B1B B6B B11B -37.3(5) . . . . ?
B5B B1B B6B B11B 100.4(6) . . . . ?
B2B B1B B6B B11B -0.3(8) . . . . ?
C33B B1B B6B B7B -113.7(10) . . . . ?
C31B B1B B6B B7B 99.5(6) . . . . ?
B5B B1B B6B B7B 137.7(6) . . . . ?
B2B B1B B6B B7B 36.9(5) . . . . ?
C33B B1B B6B B10B 146.2(9) . . . . ?
C31B B1B B6B B10B -0.5(8) . . . . ?
B7B B1B B6B B10B -100.1(6) . . . . ?
B5B B1B B6B B10B 37.6(5) . . . . ?
B2B B1B B6B B10B -63.1(7) . . . . ?
C37B B5B B6B C38B -0.3(14) . . . . ?
C31B B5B B6B C38B 148.8(9) . . . . ?
B10B B5B B6B C38B -111.2(10) . . . . ?
B4B B5B B6B C38B -148.9(9) . . . . ?
B1B B5B B6B C38B 110.9(10) . . . . ?
C37B B5B B6B B1B -111.2(10) . . . . ?
C31B B5B B6B B1B 37.9(5) . . . . ?
B10B B5B B6B B1B 137.9(6) . . . . ?
B4B B5B B6B B1B 100.2(6) . . . . ?
C37B B5B B6B B11B 148.0(9) . . . . ?
C31B B5B B6B B11B -62.9(7) . . . . ?
B10B B5B B6B B11B 37.1(5) . . . . ?
B4B B5B B6B B11B -0.5(7) . . . . ?
B1B B5B B6B B11B -100.7(6) . . . . ?
C37B B5B B6B B7B -148.7(9) . . . . ?
C31B B5B B6B B7B 0.4(8) . . . . ?
B10B B5B B6B B7B 100.4(6) . . . . ?
B4B B5B B6B B7B 62.7(7) . . . . ?
B1B B5B B6B B7B -37.5(5) . . . . ?
C37B B5B B6B B10B 110.9(9) . . . . ?
C31B B5B B6B B10B -100.0(6) . . . . ?
B4B B5B B6B B10B -37.7(5) . . . . ?
B1B B5B B6B B10B -137.9(6) . . . . ?
C33B B1B B7B C39B 2.7(12) . . . . ?
C31B B1B B7B C39B 148.8(8) . . . . ?
B6B B1B B7B C39B -110.5(9) . . . . ?
B5B B1B B7B C39B -148.4(8) . . . . ?
B2B B1B B7B C39B 110.7(9) . . . . ?
C33B B1B B7B B8B -146.1(8) . . . . ?
C31B B1B B7B B8B 0.1(7) . . . . ?
B6B B1B B7B B8B 100.7(6) . . . . ?
B5B B1B B7B B8B 62.8(7) . . . . ?
B2B B1B B7B B8B -38.0(5) . . . . ?
C33B B1B B7B B2B -108.1(9) . . . . ?
C31B B1B B7B B2B 38.1(5) . . . . ?
B6B B1B B7B B2B 138.8(6) . . . . ?
B5B B1B B7B B2B 100.9(6) . . . . ?
C33B B1B B7B B11B 150.3(8) . . . . ?
C31B B1B B7B B11B -63.5(7) . . . . ?
B6B B1B B7B B11B 37.2(5) . . . . ?
B5B B1B B7B B11B -0.7(7) . . . . ?
B2B B1B B7B B11B -101.6(6) . . . . ?
C33B B1B B7B B6B 113.1(9) . . . . ?
C31B B1B B7B B6B -100.7(6) . . . . ?
B5B B1B B7B B6B -37.9(5) . . . . ?
B2B B1B B7B B6B -138.8(6) . . . . ?
C34B B2B B7B C39B -2.2(13) . . . . ?
C31B B2B B7B C39B -150.2(8) . . . . ?
B8B B2B B7B C39B 110.4(9) . . . . ?
B3B B2B B7B C39B 147.3(8) . . . . ?
B1B B2B B7B C39B -112.1(9) . . . . ?
C34B B2B B7B B8B -112.6(9) . . . . ?
C31B B2B B7B B8B 99.4(6) . . . . ?
B3B B2B B7B B8B 36.8(5) . . . . ?
B1B B2B B7B B8B 137.5(6) . . . . ?
C34B B2B B7B B1B 109.9(9) . . . . ?
C31B B2B B7B B1B -38.1(5) . . . . ?
B8B B2B B7B B1B -137.5(6) . . . . ?
B3B B2B B7B B1B -100.6(6) . . . . ?
C34B B2B B7B B11B -149.6(8) . . . . ?
C31B B2B B7B B11B 62.4(7) . . . . ?
B8B B2B B7B B11B -37.0(5) . . . . ?
B3B B2B B7B B11B -0.2(8) . . . . ?
B1B B2B B7B B11B 100.5(6) . . . . ?
C34B B2B B7B B6B 146.9(8) . . . . ?
C31B B2B B7B B6B -1.1(8) . . . . ?
B8B B2B B7B B6B -100.4(6) . . . . ?
B3B B2B B7B B6B -63.6(7) . . . . ?
B1B B2B B7B B6B 37.0(5) . . . . ?
C38B B6B B7B C39B 0.6(13) . . . . ?
B1B B6B B7B C39B 111.7(9) . . . . ?
B5B B6B B7B C39B 149.5(8) . . . . ?
B11B B6B B7B C39B -110.0(9) . . . . ?
B10B B6B B7B C39B -147.3(8) . . . . ?
C38B B6B B7B B8B 148.0(9) . . . . ?
B1B B6B B7B B8B -100.9(6) . . . . ?
B5B B6B B7B B8B -63.2(7) . . . . ?
B11B B6B B7B B8B 37.3(5) . . . . ?
B10B B6B B7B B8B 0.0(8) . . . . ?
C38B B6B B7B B1B -111.1(9) . . . . ?
B5B B6B B7B B1B 37.8(5) . . . . ?
B11B B6B B7B B1B 138.2(6) . . . . ?
B10B B6B B7B B1B 100.9(6) . . . . ?
C38B B6B B7B B2B -148.5(9) . . . . ?
B1B B6B B7B B2B -37.4(5) . . . . ?
B5B B6B B7B B2B 0.4(8) . . . . ?
B11B B6B B7B B2B 100.9(6) . . . . ?
B10B B6B B7B B2B 63.6(7) . . . . ?
C38B B6B B7B B11B 110.7(10) . . . . ?
B1B B6B B7B B11B -138.2(6) . . . . ?
B5B B6B B7B B11B -100.4(6) . . . . ?
B10B B6B B7B B11B -37.3(5) . . . . ?
C39B B7B B8B C40B 1.8(13) . . . . ?
B1B B7B B8B C40B 151.0(8) . . . . ?
B2B B7B B8B C40B 112.7(9) . . . . ?
B11B B7B B8B C40B -108.5(9) . . . . ?
B6B B7B B8B C40B -145.7(8) . . . . ?
C39B B7B B8B B2B -110.9(9) . . . . ?
B1B B7B B8B B2B 38.3(5) . . . . ?
B11B B7B B8B B2B 138.8(6) . . . . ?
B6B B7B B8B B2B 101.7(6) . . . . ?
C39B B7B B8B B3B -148.1(8) . . . . ?
B1B B7B B8B B3B 1.1(8) . . . . ?
B2B B7B B8B B3B -37.3(5) . . . . ?
B11B B7B B8B B3B 101.6(6) . . . . ?
B6B B7B B8B B3B 64.4(7) . . . . ?
C39B B7B B8B B9B 147.5(8) . . . . ?
B1B B7B B8B B9B -63.3(7) . . . . ?
B2B B7B B8B B9B -101.7(6) . . . . ?
B11B B7B B8B B9B 37.2(5) . . . . ?
B6B B7B B8B B9B 0.0(8) . . . . ?
C39B B7B B8B B11B 110.3(9) . . . . ?
B1B B7B B8B B11B -100.5(6) . . . . ?
B2B B7B B8B B11B -138.8(6) . . . . ?
B6B B7B B8B B11B -37.1(5) . . . . ?
C34B B2B B8B C40B -0.5(13) . . . . ?
C31B B2B B8B C40B 148.8(9) . . . . ?
B7B B2B B8B C40B -111.4(9) . . . . ?
B3B B2B B8B C40B 109.8(9) . . . . ?
B1B B2B B8B C40B -149.0(8) . . . . ?
C34B B2B B8B B7B 110.9(9) . . . . ?
C31B B2B B8B B7B -99.8(6) . . . . ?
B3B B2B B8B B7B -138.7(6) . . . . ?
B1B B2B B8B B7B -37.6(5) . . . . ?
C34B B2B B8B B3B -110.4(9) . . . . ?
C31B B2B B8B B3B 39.0(5) . . . . ?
B7B B2B B8B B3B 138.7(6) . . . . ?
B1B B2B B8B B3B 101.2(6) . . . . ?
C34B B2B B8B B9B -147.7(8) . . . . ?
C31B B2B B8B B9B 1.7(7) . . . . ?
B7B B2B B8B B9B 101.5(6) . . . . ?
B3B B2B B8B B9B -37.3(5) . . . . ?
B1B B2B B8B B9B 63.9(7) . . . . ?
C34B B2B B8B B11B 148.3(8) . . . . ?
C31B B2B B8B B11B -62.4(7) . . . . ?
B7B B2B B8B B11B 37.4(5) . . . . ?
B3B B2B B8B B11B -101.4(6) . . . . ?
B1B B2B B8B B11B -0.2(8) . . . . ?
C35B B3B B8B C40B -2.7(13) . . . . ?
C31B B3B B8B C40B -152.2(8) . . . . ?
B2B B3B B8B C40B -113.2(9) . . . . ?
B4B B3B B8B C40B 145.6(8) . . . . ?
B9B B3B B8B C40B 107.9(9) . . . . ?
C35B B3B B8B B7B 147.7(9) . . . . ?
C31B B3B B8B B7B -1.8(8) . . . . ?
B2B B3B B8B B7B 37.2(5) . . . . ?
B4B B3B B8B B7B -64.0(7) . . . . ?
B9B B3B B8B B7B -101.7(6) . . . . ?
C35B B3B B8B B2B 110.5(9) . . . . ?
C31B B3B B8B B2B -39.0(5) . . . . ?
B4B B3B B8B B2B -101.3(6) . . . . ?
B9B B3B B8B B2B -138.9(6) . . . . ?
C35B B3B B8B B9B -110.6(9) . . . . ?
C31B B3B B8B B9B 99.9(6) . . . . ?
B2B B3B B8B B9B 138.9(6) . . . . ?
B4B B3B B8B B9B 37.6(5) . . . . ?
C35B B3B B8B B11B -147.9(9) . . . . ?
C31B B3B B8B B11B 62.7(7) . . . . ?
B2B B3B B8B B11B 101.7(6) . . . . ?
B4B B3B B8B B11B 0.4(8) . . . . ?
B9B B3B B8B B11B -37.2(5) . . . . ?
C36B B4B B9B C41B -1.8(13) . . . . ?
C31B B4B B9B C41B -148.4(8) . . . . ?
B10B B4B B9B C41B 111.0(9) . . . . ?
B3B B4B B9B C41B -110.3(9) . . . . ?
B5B B4B B9B C41B 148.4(8) . . . . ?
C36B B4B B9B B8B 146.4(8) . . . . ?
C31B B4B B9B B8B -0.2(7) . . . . ?
B10B B4B B9B B8B -100.8(6) . . . . ?
B3B B4B B9B B8B 37.9(5) . . . . ?
B5B B4B B9B B8B -63.4(7) . . . . ?
C36B B4B B9B B11B -150.2(8) . . . . ?
C31B B4B B9B B11B 63.1(7) . . . . ?
B10B B4B B9B B11B -37.4(5) . . . . ?
B3B B4B B9B B11B 101.2(6) . . . . ?
B5B B4B B9B B11B 0.0(8) . . . . ?
C36B B4B B9B B3B 108.6(9) . . . . ?
C31B B4B B9B B3B -38.1(5) . . . . ?
B10B B4B B9B B3B -138.7(6) . . . . ?
B5B B4B B9B B3B -101.3(6) . . . . ?
C36B B4B B9B B10B -112.8(9) . . . . ?
C31B B4B B9B B10B 100.6(6) . . . . ?
B3B B4B B9B B10B 138.7(6) . . . . ?
B5B B4B B9B B10B 37.4(5) . . . . ?
C40B B8B B9B C41B -0.8(12) . . . . ?
B7B B8B B9B C41B -147.9(8) . . . . ?
B2B B8B B9B C41B 147.9(8) . . . . ?
B3B B8B B9B C41B 110.7(8) . . . . ?
B11B B8B B9B C41B -110.6(9) . . . . ?
C40B B8B B9B B4B -149.7(8) . . . . ?
B7B B8B B9B B4B 63.3(7) . . . . ?
B2B B8B B9B B4B -0.9(7) . . . . ?
B3B B8B B9B B4B -38.1(5) . . . . ?
B11B B8B B9B B4B 100.6(6) . . . . ?
C40B B8B B9B B11B 109.7(9) . . . . ?
B7B B8B B9B B11B -37.3(5) . . . . ?
B2B B8B B9B B11B -101.5(6) . . . . ?
B3B B8B B9B B11B -138.7(6) . . . . ?
C40B B8B B9B B3B -111.6(9) . . . . ?
B7B B8B B9B B3B 101.4(6) . . . . ?
B2B B8B B9B B3B 37.2(5) . . . . ?
B11B B8B B9B B3B 138.7(6) . . . . ?
C40B B8B B9B B10B 147.1(8) . . . . ?
B7B B8B B9B B10B 0.0(7) . . . . ?
B2B B8B B9B B10B -64.2(7) . . . . ?
B3B B8B B9B B10B -101.4(6) . . . . ?
B11B B8B B9B B10B 37.4(5) . . . . ?
C35B B3B B9B C41B 2.4(13) . . . . ?
C31B B3B B9B C41B 150.4(8) . . . . ?
B8B B3B B9B C41B -110.3(9) . . . . ?
B2B B3B B9B C41B -146.9(8) . . . . ?
B4B B3B B9B C41B 112.5(9) . . . . ?
C35B B3B B9B B4B -110.1(9) . . . . ?
C31B B3B B9B B4B 37.9(5) . . . . ?
B8B B3B B9B B4B 137.2(6) . . . . ?
B2B B3B B9B B4B 100.5(6) . . . . ?
C35B B3B B9B B8B 112.6(9) . . . . ?
C31B B3B B9B B8B -99.3(6) . . . . ?
B2B B3B B9B B8B -36.7(5) . . . . ?
B4B B3B B9B B8B -137.2(6) . . . . ?
C35B B3B B9B B11B 149.7(9) . . . . ?
C31B B3B B9B B11B -62.3(7) . . . . ?
B8B B3B B9B B11B 37.0(5) . . . . ?
B2B B3B B9B B11B 0.3(8) . . . . ?
B4B B3B B9B B11B -100.2(6) . . . . ?
C35B B3B B9B B10B -147.2(9) . . . . ?
C31B B3B B9B B10B 0.8(8) . . . . ?
B8B B3B B9B B10B 100.2(6) . . . . ?
B2B B3B B9B B10B 63.5(7) . . . . ?
B4B B3B B9B B10B -37.1(5) . . . . ?
C36B B4B B10B C42B -0.6(13) . . . . ?
C31B B4B B10B C42B 149.3(9) . . . . ?
B9B B4B B10B C42B -110.3(9) . . . . ?
B3B B4B B10B C42B -147.7(9) . . . . ?
B5B B4B B10B C42B 111.3(9) . . . . ?
C36B B4B B10B B11B 147.2(9) . . . . ?
C31B B4B B10B B11B -62.9(7) . . . . ?
B9B B4B B10B B11B 37.6(5) . . . . ?
B3B B4B B10B B11B 0.1(8) . . . . ?
B5B B4B B10B B11B -100.9(6) . . . . ?
C36B B4B B10B B5B -111.9(10) . . . . ?
C31B B4B B10B B5B 38.0(5) . . . . ?
B9B B4B B10B B5B 138.5(6) . . . . ?
B3B B4B B10B B5B 101.0(6) . . . . ?
C36B B4B B10B B9B 109.6(10) . . . . ?
C31B B4B B10B B9B -100.4(6) . . . . ?
B3B B4B B10B B9B -37.4(5) . . . . ?
B5B B4B B10B B9B -138.5(6) . . . . ?
C36B B4B B10B B6B -149.5(9) . . . . ?
C31B B4B B10B B6B 0.4(8) . . . . ?
B9B B4B B10B B6B 100.8(6) . . . . ?
B3B B4B B10B B6B 63.4(7) . . . . ?
B5B B4B B10B B6B -37.6(5) . . . . ?
C37B B5B B10B C42B 0.2(14) . . . . ?
C31B B5B B10B C42B -147.2(9) . . . . ?
B6B B5B B10B C42B 112.8(10) . . . . ?
B4B B5B B10B C42B -109.6(10) . . . . ?
B1B B5B B10B C42B 150.4(9) . . . . ?
C37B B5B B10B B11B -150.1(9) . . . . ?
C31B B5B B10B B11B 62.5(7) . . . . ?
B6B B5B B10B B11B -37.5(5) . . . . ?
B4B B5B B10B B11B 100.2(6) . . . . ?
B1B B5B B10B B11B 0.1(8) . . . . ?
C37B B5B B10B B4B 109.8(10) . . . . ?
C31B B5B B10B B4B -37.6(5) . . . . ?
B6B B5B B10B B4B -137.6(6) . . . . ?
B1B B5B B10B B4B -100.1(6) . . . . ?
C37B B5B B10B B9B 146.6(9) . . . . ?
C31B B5B B10B B9B -0.8(8) . . . . ?
B6B B5B B10B B9B -100.8(6) . . . . ?
B4B B5B B10B B9B 36.8(5) . . . . ?
B1B B5B B10B B9B -63.3(7) . . . . ?
C37B B5B B10B B6B -112.6(10) . . . . ?
C31B B5B B10B B6B 100.0(6) . . . . ?
B4B B5B B10B B6B 137.6(6) . . . . ?
B1B B5B B10B B6B 37.5(5) . . . . ?
C41B B9B B10B C42B -2.7(13) . . . . ?
B4B B9B B10B C42B 109.5(9) . . . . ?
B8B B9B B10B C42B -150.3(9) . . . . ?
B11B B9B B10B C42B -112.7(10) . . . . ?
B3B B9B B10B C42B 146.6(9) . . . . ?
C41B B9B B10B B11B 110.0(9) . . . . ?
B4B B9B B10B B11B -137.8(6) . . . . ?
B8B B9B B10B B11B -37.6(5) . . . . ?
B3B B9B B10B B11B -100.7(6) . . . . ?
C41B B9B B10B B4B -112.2(9) . . . . ?
B8B B9B B10B B4B 100.2(6) . . . . ?
B11B B9B B10B B4B 137.8(6) . . . . ?
B3B B9B B10B B4B 37.1(5) . . . . ?
C41B B9B B10B B5B -149.4(8) . . . . ?
B4B B9B B10B B5B -37.1(5) . . . . ?
B8B B9B B10B B5B 63.1(7) . . . . ?
B11B B9B B10B B5B 100.6(6) . . . . ?
B3B B9B B10B B5B 0.0(8) . . . . ?
C41B B9B B10B B6B 147.5(8) . . . . ?
B4B B9B B10B B6B -100.2(6) . . . . ?
B8B B9B B10B B6B 0.0(7) . . . . ?
B11B B9B B10B B6B 37.6(5) . . . . ?
B3B B9B B10B B6B -63.1(7) . . . . ?
C38B B6B B10B C42B 1.8(13) . . . . ?
B1B B6B B10B C42B -147.8(9) . . . . ?
B5B B6B B10B C42B -110.1(10) . . . . ?
B11B B6B B10B C42B 111.9(9) . . . . ?
B7B B6B B10B C42B 149.5(9) . . . . ?
C38B B6B B10B B11B -110.1(9) . . . . ?
B1B B6B B10B B11B 100.3(6) . . . . ?
B5B B6B B10B B11B 138.0(6) . . . . ?
B7B B6B B10B B11B 37.6(5) . . . . ?
C38B B6B B10B B4B 149.7(9) . . . . ?
B1B B6B B10B B4B 0.1(8) . . . . ?
B5B B6B B10B B4B 37.8(5) . . . . ?
B11B B6B B10B B4B -100.2(6) . . . . ?
B7B B6B B10B B4B -62.7(7) . . . . ?
C38B B6B B10B B5B 111.9(9) . . . . ?
B1B B6B B10B B5B -37.7(5) . . . . ?
B11B B6B B10B B5B -138.0(6) . . . . ?
B7B B6B B10B B5B -100.5(6) . . . . ?
C38B B6B B10B B9B -147.6(9) . . . . ?
B1B B6B B10B B9B 62.8(7) . . . . ?
B5B B6B B10B B9B 100.5(6) . . . . ?
B11B B6B B10B B9B -37.5(5) . . . . ?
B7B B6B B10B B9B 0.0(8) . . . . ?
C42B B10B B11B C43B -0.7(13) . . . . ?
B4B B10B B11B C43B -147.6(8) . . . . ?
B5B B10B B11B C43B 149.1(8) . . . . ?
B9B B10B B11B C43B -110.3(9) . . . . ?
B6B B10B B11B C43B 111.8(9) . . . . ?
C42B B10B B11B B8B 147.0(9) . . . . ?
B4B B10B B11B B8B 0.1(8) . . . . ?
B5B B10B B11B B8B -63.2(7) . . . . ?
B9B B10B B11B B8B 37.4(5) . . . . ?
B6B B10B B11B B8B -100.5(6) . . . . ?
C42B B10B B11B B9B 109.6(10) . . . . ?
B4B B10B B11B B9B -37.3(5) . . . . ?
B5B B10B B11B B9B -100.6(6) . . . . ?
B6B B10B B11B B9B -138.0(6) . . . . ?
C42B B10B B11B B6B -112.5(10) . . . . ?
B4B B10B B11B B6B 100.7(6) . . . . ?
B5B B10B B11B B6B 37.3(5) . . . . ?
B9B B10B B11B B6B 138.0(6) . . . . ?
C42B B10B B11B B7B -150.3(9) . . . . ?
B4B B10B B11B B7B 62.8(7) . . . . ?
B5B B10B B11B B7B -0.5(8) . . . . ?
B9B B10B B11B B7B 100.1(6) . . . . ?
B6B B10B B11B B7B -37.8(5) . . . . ?
C40B B8B B11B C43B 1.8(12) . . . . ?
B7B B8B B11B C43B -111.0(9) . . . . ?
B2B B8B B11B C43B -148.2(8) . . . . ?
B3B B8B B11B C43B 147.6(8) . . . . ?
B9B B8B B11B C43B 110.2(9) . . . . ?
C40B B8B B11B B10B -146.1(8) . . . . ?
B7B B8B B11B B10B 101.1(6) . . . . ?
B2B B8B B11B B10B 63.9(7) . . . . ?
B3B B8B B11B B10B -0.3(8) . . . . ?
B9B B8B B11B B10B -37.7(5) . . . . ?
C40B B8B B11B B9B -108.3(9) . . . . ?
B7B B8B B11B B9B 138.8(6) . . . . ?
B2B B8B B11B B9B 101.6(6) . . . . ?
B3B B8B B11B B9B 37.4(5) . . . . ?
C40B B8B B11B B6B 150.1(8) . . . . ?
B7B B8B B11B B6B 37.2(5) . . . . ?
B2B B8B B11B B6B 0.0(8) . . . . ?
B3B B8B B11B B6B -64.2(7) . . . . ?
B9B B8B B11B B6B -101.6(6) . . . . ?
C40B B8B B11B B7B 112.8(9) . . . . ?
B2B B8B B11B B7B -37.2(5) . . . . ?
B3B B8B B11B B7B -101.4(6) . . . . ?
B9B B8B B11B B7B -138.8(6) . . . . ?
C41B B9B B11B C43B 0.0(13) . . . . ?
B4B B9B B11B C43B 149.1(8) . . . . ?
B8B B9B B11B C43B -110.6(9) . . . . ?
B3B B9B B11B C43B -147.4(8) . . . . ?
B10B B9B B11B C43B 111.5(9) . . . . ?
C41B B9B B11B B10B -111.5(9) . . . . ?
B4B B9B B11B B10B 37.6(5) . . . . ?
B8B B9B B11B B10B 137.9(6) . . . . ?
B3B B9B B11B B10B 101.1(6) . . . . ?
C41B B9B B11B B8B 110.6(9) . . . . ?
B4B B9B B11B B8B -100.3(6) . . . . ?
B3B B9B B11B B8B -36.8(5) . . . . ?
B10B B9B B11B B8B -137.9(6) . . . . ?
C41B B9B B11B B6B -149.4(8) . . . . ?
B4B B9B B11B B6B -0.3(8) . . . . ?
B8B B9B B11B B6B 100.0(6) . . . . ?
B3B B9B B11B B6B 63.2(7) . . . . ?
B10B B9B B11B B6B -37.9(5) . . . . ?
C41B B9B B11B B7B 147.0(8) . . . . ?
B4B B9B B11B B7B -63.9(7) . . . . ?
B8B B9B B11B B7B 36.4(5) . . . . ?
B3B B9B B11B B7B -0.4(8) . . . . ?
B10B B9B B11B B7B -101.5(6) . . . . ?
C38B B6B B11B C43B 0.4(13) . . . . ?
B1B B6B B11B C43B 148.1(8) . . . . ?
B5B B6B B11B C43B -148.4(8) . . . . ?
B7B B6B B11B C43B 111.1(9) . . . . ?
B10B B6B B11B C43B -111.1(9) . . . . ?
C38B B6B B11B B10B 111.5(9) . . . . ?
B1B B6B B11B B10B -100.8(6) . . . . ?
B5B B6B B11B B10B -37.3(5) . . . . ?
B7B B6B B11B B10B -137.8(6) . . . . ?
C38B B6B B11B B8B -147.5(9) . . . . ?
B1B B6B B11B B8B 0.2(8) . . . . ?
B5B B6B B11B B8B 63.7(7) . . . . ?
B7B B6B B11B B8B -36.8(5) . . . . ?
B10B B6B B11B B8B 101.0(6) . . . . ?
C38B B6B B11B B9B 149.4(9) . . . . ?
B1B B6B B11B B9B -62.9(7) . . . . ?
B5B B6B B11B B9B 0.5(8) . . . . ?
B7B B6B B11B B9B -100.0(6) . . . . ?
B10B B6B B11B B9B 37.9(5) . . . . ?
C38B B6B B11B B7B -110.7(9) . . . . ?
B1B B6B B11B B7B 37.0(5) . . . . ?
B5B B6B B11B B7B 100.5(6) . . . . ?
B10B B6B B11B B7B 137.8(6) . . . . ?
C39B B7B B11B C43B -0.6(12) . . . . ?
B8B B7B B11B C43B 110.1(9) . . . . ?
B1B B7B B11B C43B -148.8(8) . . . . ?
B2B B7B B11B C43B 147.0(8) . . . . ?
B6B B7B B11B C43B -111.6(9) . . . . ?
C39B B7B B11B B10B 149.0(8) . . . . ?
B8B B7B B11B B10B -100.4(6) . . . . ?
B1B B7B B11B B10B 0.8(7) . . . . ?
B2B B7B B11B B10B -63.4(7) . . . . ?
B6B B7B B11B B10B 38.0(5) . . . . ?
C39B B7B B11B B8B -110.7(9) . . . . ?
B1B B7B B11B B8B 101.1(6) . . . . ?
B2B B7B B11B B8B 36.9(5) . . . . ?
B6B B7B B11B B8B 138.4(6) . . . . ?
C39B B7B B11B B9B -147.2(8) . . . . ?
B8B B7B B11B B9B -36.6(5) . . . . ?
B1B B7B B11B B9B 64.6(7) . . . . ?
B2B B7B B11B B9B 0.4(8) . . . . ?
B6B B7B B11B B9B 101.8(6) . . . . ?
C39B B7B B11B B6B 111.0(9) . . . . ?
B8B B7B B11B B6B -138.4(6) . . . . ?
B1B B7B B11B B6B -37.2(5) . . . . ?
B2B B7B B11B B6B -101.4(6) . . . . ?

_refine_diff_density_max         1.087
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.089


