#------------------------------------------------------------------------------
#$Date: 2025-03-04 21:07:03 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298105 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/37/1573775.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1573775
loop_
_publ_author_name
'Wang, Zhen'
'Yu, Jiahui'
'Zhang, Jie'
'Zhang, Dengsong'
'Qiu, Zaozao'
'Xie, Zuowei'
_publ_section_title
;
 Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of
 BH/CH between o-carborane and arenes.
;
_journal_issue                   8
_journal_name_full               'Chemical science'
_journal_page_first              3705
_journal_page_last               3712
_journal_paper_doi               10.1039/d4sc08496a
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C22 H20 B10'
_chemical_formula_sum            'C22 H20 B10'
_chemical_formula_weight         392.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-05-22
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2024-11-29 deposited with the CCDC.	2025-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.6730(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.49140(10)
_cell_length_b                   17.9215(3)
_cell_length_c                   16.0970(3)
_cell_measurement_reflns_used    9879
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      54.903
_cell_measurement_theta_min      3.212
_cell_volume                     2160.99(6)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      213.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25343
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.967
_diffrn_reflns_theta_min         3.211
_diffrn_source_current           2.86
_diffrn_source_power             0.1995708
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.284
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.5963
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1625 before and 0.0678 after correction.
The Ratio of minimum to maximum transmission is 0.7942.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.170
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.047
_refine_ls_abs_structure_details
;
 Flack x determined using 2692 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.4(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         8013
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0546P)²+0.0734P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.1047
_reflns_Friedel_coverage         0.890
_reflns_Friedel_fraction_full    0.955
_reflns_Friedel_fraction_max     0.949
_reflns_number_gt                6749
_reflns_number_total             8013
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc08496a2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 1573766--1573777.cif.'
_cod_database_code               1573775
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.986
_shelx_estimated_absorpt_t_min   0.980
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6A), C7(H7), C8(H8A), C10(H10), C11(H11), C12(H12), C16(H16), C17(H17),
 C18(H18), C20(H20), C21(H21), C22(H22), C6A(H6AB), C7A(H7A), C8A(H8AB),
 C10A(H10B), C11A(H11B), C12A(H12B), C16A(H16A), C17A(H17A), C18A(H18A),
 C20A(H20A), C21A(H21A), C22A(H22A)
2.b Boron cage BH refined with riding coordinates:
 B3(H3), B5(H5), B6(H6), B8(H8), B9(H9), B10(H10A), B11(H11A), B12(H12A),
 B3A(H3A), B5A(H5A), B6A(H6AA), B8A(H8AA), B9A(H9A), B10A(H10C), B11A(H11C),
 B12A(H12C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9952(3) 0.59910(14) 1.00352(18) 0.0252(6) Uani 1 1 d . . . . .
C2 C 0.7956(3) 0.57592(14) 0.96844(18) 0.0250(6) Uani 1 1 d . . . . .
B3 B 0.8105(4) 0.60992(17) 1.0673(2) 0.0277(7) Uani 1 1 d . . . . .
H3 H 0.784216 0.576462 1.123857 0.033 Uiso 1 1 calc R U . . .
C3 C 0.7263(3) 0.50207(14) 0.93989(18) 0.0266(6) Uani 1 1 d . . . . .
B4 B 0.9852(4) 0.67825(17) 1.0627(2) 0.0303(8) Uani 1 1 d . . . . .
C4 C 0.6190(3) 0.51322(15) 0.86764(19) 0.0288(7) Uani 1 1 d . . . . .
B5 B 1.0657(4) 0.68088(18) 0.9587(2) 0.0315(8) Uani 1 1 d . . . . .
H5 H 1.206907 0.694989 0.945638 0.038 Uiso 1 1 calc R U . . .
C5 C 0.6077(4) 0.58781(15) 0.83682(19) 0.0317(7) Uani 1 1 d . . . . .
B6 B 0.9517(4) 0.61300(18) 0.9005(2) 0.0293(7) Uani 1 1 d . . . . .
H6 H 1.017316 0.581534 0.849863 0.035 Uiso 1 1 calc R U . . .
C6 C 0.5074(4) 0.59986(19) 0.7668(2) 0.0419(8) Uani 1 1 d . . . . .
H6A H 0.498625 0.648226 0.744493 0.050 Uiso 1 1 calc R U . . .
B7 B 0.7203(4) 0.63931(18) 0.8965(2) 0.0305(8) Uani 1 1 d . . . . .
C7 C 0.4170(4) 0.5403(2) 0.7277(2) 0.0503(9) Uani 1 1 d . . . . .
H7 H 0.348437 0.549920 0.679531 0.060 Uiso 1 1 calc R U . . .
B8 B 0.6373(4) 0.63885(17) 0.9999(2) 0.0309(8) Uani 1 1 d . . . . .
H8 H 0.495844 0.624929 1.012646 0.037 Uiso 1 1 calc R U . . .
C8 C 0.4258(4) 0.4693(2) 0.7575(2) 0.0459(9) Uani 1 1 d . . . . .
H8A H 0.363167 0.430855 0.730195 0.055 Uiso 1 1 calc R U . . .
B9 B 0.7553(5) 0.70562(18) 1.0598(2) 0.0351(8) Uani 1 1 d . . . . .
H9 H 0.693167 0.735973 1.112182 0.042 Uiso 1 1 calc R U . . .
C9 C 0.5292(4) 0.45316(17) 0.8295(2) 0.0355(7) Uani 1 1 d . . . . .
B10 B 0.9135(5) 0.74941(18) 0.9918(2) 0.0359(8) Uani 1 1 d . . . . .
H10A H 0.953465 0.808618 0.999984 0.043 Uiso 1 1 calc R U . . .
C10 C 0.5543(4) 0.38163(17) 0.8654(2) 0.0394(8) Uani 1 1 d . . . . .
H10 H 0.497441 0.340136 0.841063 0.047 Uiso 1 1 calc R U . . .
B11 B 0.8913(4) 0.70787(19) 0.8905(2) 0.0345(8) Uani 1 1 d . . . . .
H11A H 0.915794 0.739457 0.832449 0.041 Uiso 1 1 calc R U . . .
C11 C 0.6588(4) 0.37164(16) 0.9343(2) 0.0384(8) Uani 1 1 d . . . . .
H11 H 0.672894 0.323350 0.956246 0.046 Uiso 1 1 calc R U . . .
B12 B 0.6975(5) 0.72416(18) 0.9530(2) 0.0376(9) Uani 1 1 d . . . . .
H12A H 0.596399 0.766854 0.935650 0.045 Uiso 1 1 calc R U . . .
C12 C 0.7468(4) 0.43212(15) 0.9737(2) 0.0325(7) Uani 1 1 d . . . . .
H12 H 0.817318 0.424683 1.021700 0.039 Uiso 1 1 calc R U . . .
C13 C 1.1351(3) 0.55150(15) 1.04312(17) 0.0263(6) Uani 1 1 d . . . . .
C14 C 1.2073(3) 0.58977(15) 1.11329(18) 0.0282(6) Uani 1 1 d . . . . .
C15 C 1.1342(4) 0.66172(16) 1.12937(19) 0.0312(7) Uani 1 1 d . . . . .
C16 C 1.2048(4) 0.70033(18) 1.1962(2) 0.0427(8) Uani 1 1 d . . . . .
H16 H 1.160854 0.748029 1.209028 0.051 Uiso 1 1 calc R U . . .
C17 C 1.3422(5) 0.6690(2) 1.2454(2) 0.0498(9) Uani 1 1 d . . . . .
H17 H 1.388132 0.696490 1.290554 0.060 Uiso 1 1 calc R U . . .
C18 C 1.4108(4) 0.6000(2) 1.2297(2) 0.0467(9) Uani 1 1 d . . . . .
H18 H 1.502074 0.580534 1.263909 0.056 Uiso 1 1 calc R U . . .
C19 C 1.3442(3) 0.55751(18) 1.16170(19) 0.0345(7) Uani 1 1 d . . . . .
C20 C 1.4055(4) 0.48614(18) 1.1381(2) 0.0403(8) Uani 1 1 d . . . . .
H20 H 1.496331 0.462904 1.169552 0.048 Uiso 1 1 calc R U . . .
C21 C 1.3351(4) 0.45043(18) 1.0705(2) 0.0396(8) Uani 1 1 d . . . . .
H21 H 1.377967 0.402794 1.056669 0.047 Uiso 1 1 calc R U . . .
C22 C 1.1993(4) 0.48297(16) 1.0207(2) 0.0322(7) Uani 1 1 d . . . . .
H22 H 1.154350 0.458205 0.973416 0.039 Uiso 1 1 calc R U . . .
C1A C 0.5150(3) 0.40490(15) 0.43408(18) 0.0271(6) Uani 1 1 d . . . . .
C2A C 0.3092(3) 0.41424(15) 0.46718(18) 0.0272(6) Uani 1 1 d . . . . .
B3A B 0.3360(4) 0.39264(19) 0.3648(2) 0.0299(8) Uani 1 1 d . . . . .
H3A H 0.301441 0.430936 0.312874 0.036 Uiso 1 1 calc R U . . .
C3A C 0.2211(3) 0.48057(16) 0.50506(19) 0.0301(7) Uani 1 1 d . . . . .
B4A B 0.5293(4) 0.33270(18) 0.3637(2) 0.0305(7) Uani 1 1 d . . . . .
C4A C 0.1162(3) 0.45613(17) 0.57254(19) 0.0318(7) Uani 1 1 d . . . . .
B5A B 0.6079(4) 0.32227(18) 0.4689(2) 0.0325(8) Uani 1 1 d . . . . .
H5A H 0.751596 0.313719 0.483540 0.039 Uiso 1 1 calc R U . . .
C5A C 0.1231(4) 0.37849(17) 0.5916(2) 0.0352(7) Uani 1 1 d . . . . .
B6A B 0.4730(4) 0.37711(19) 0.5331(2) 0.0303(8) Uani 1 1 d . . . . .
H6AA H 0.527938 0.405329 0.589214 0.036 Uiso 1 1 calc R U . . .
C6A C 0.0223(4) 0.35349(19) 0.6569(2) 0.0468(9) Uani 1 1 d . . . . .
H6AB H 0.023379 0.302592 0.671029 0.056 Uiso 1 1 calc R U . . .
B7A B 0.2505(4) 0.34007(19) 0.5282(2) 0.0309(8) Uani 1 1 d . . . . .
C7A C -0.0825(5) 0.4038(2) 0.7027(2) 0.0577(10) Uani 1 1 d . . . . .
H7A H -0.150615 0.385698 0.747019 0.069 Uiso 1 1 calc R U . . .
B8A B 0.1711(4) 0.3478(2) 0.4231(2) 0.0337(8) Uani 1 1 d . . . . .
H8AA H 0.027175 0.355850 0.408623 0.040 Uiso 1 1 calc R U . . .
C8A C -0.0875(4) 0.4779(2) 0.6843(2) 0.0500(9) Uani 1 1 d . . . . .
H8AB H -0.159012 0.510008 0.715936 0.060 Uiso 1 1 calc R U . . .
B9A B 0.3098(5) 0.29465(19) 0.3574(2) 0.0358(8) Uani 1 1 d . . . . .
H9A H 0.258989 0.267755 0.299709 0.043 Uiso 1 1 calc R U . . .
C9A C 0.0139(4) 0.50724(19) 0.6181(2) 0.0398(8) Uani 1 1 d . . . . .
B10A B 0.4765(5) 0.25101(19) 0.4224(2) 0.0347(8) Uani 1 1 d . . . . .
H10C H 0.532906 0.195537 0.406908 0.042 Uiso 1 1 calc R U . . .
C10A C 0.0232(4) 0.58283(19) 0.5959(2) 0.0439(8) Uani 1 1 d . . . . .
H10B H -0.043199 0.618288 0.625477 0.053 Uiso 1 1 calc R U . . .
B11A B 0.4392(4) 0.27943(19) 0.5281(2) 0.0356(8) Uani 1 1 d . . . . .
H11C H 0.470315 0.242537 0.581761 0.043 Uiso 1 1 calc R U . . .
C11A C 0.1288(4) 0.60555(18) 0.5312(2) 0.0420(8) Uani 1 1 d . . . . .
H11B H 0.135250 0.656646 0.518362 0.050 Uiso 1 1 calc R U . . .
B12A B 0.2539(5) 0.26166(19) 0.4599(2) 0.0369(9) Uani 1 1 d . . . . .
H12C H 0.164975 0.212926 0.469230 0.044 Uiso 1 1 calc R U . . .
C12A C 0.2278(4) 0.55424(17) 0.4835(2) 0.0350(7) Uani 1 1 d . . . . .
H12B H 0.296078 0.570315 0.438227 0.042 Uiso 1 1 calc R U . . .
C13A C 0.6399(3) 0.46320(15) 0.40323(18) 0.0280(6) Uani 1 1 d . . . . .
C14A C 0.7246(3) 0.43628(16) 0.33081(18) 0.0285(6) Uani 1 1 d . . . . .
C15A C 0.6742(4) 0.36342(16) 0.30338(18) 0.0313(7) Uani 1 1 d . . . . .
C16A C 0.7588(4) 0.33542(18) 0.23502(19) 0.0404(8) Uani 1 1 d . . . . .
H16A H 0.728702 0.287714 0.215007 0.048 Uiso 1 1 calc R U . . .
C17A C 0.8903(4) 0.37762(19) 0.1946(2) 0.0461(9) Uani 1 1 d . . . . .
H17A H 0.948199 0.356886 0.148541 0.055 Uiso 1 1 calc R U . . .
C18A C 0.9364(4) 0.44766(18) 0.2202(2) 0.0415(8) Uani 1 1 d . . . . .
H18A H 1.023489 0.474690 0.191268 0.050 Uiso 1 1 calc R U . . .
C19A C 0.8531(4) 0.47966(17) 0.29015(19) 0.0334(7) Uani 1 1 d . . . . .
C20A C 0.8884(4) 0.55186(18) 0.3218(2) 0.0398(8) Uani 1 1 d . . . . .
H20A H 0.970782 0.582897 0.294901 0.048 Uiso 1 1 calc R U . . .
C21A C 0.8035(4) 0.57687(18) 0.3913(2) 0.0416(8) Uani 1 1 d . . . . .
H21A H 0.828236 0.625201 0.411037 0.050 Uiso 1 1 calc R U . . .
C22A C 0.6804(4) 0.53225(16) 0.4341(2) 0.0345(7) Uani 1 1 d . . . . .
H22A H 0.626964 0.549608 0.483036 0.041 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 B3 60.37(17) . . ?
C2 C1 B4 110.8(2) . . ?
C2 C1 B5 110.7(2) . . ?
C2 C1 B6 62.65(17) . . ?
B4 C1 B3 62.59(18) . . ?
B4 C1 B5 62.78(19) . . ?
B5 C1 B3 113.7(2) . . ?
B6 C1 B3 114.4(2) . . ?
B6 C1 B4 114.3(2) . . ?
B6 C1 B5 61.54(18) . . ?
C13 C1 C2 129.4(2) . . ?
C13 C1 B3 111.8(2) . . ?
C13 C1 B4 105.8(2) . . ?
C13 C1 B5 116.7(2) . . ?
C13 C1 B6 128.7(2) . . ?
C1 C2 B3 62.64(17) . . ?
C1 C2 B6 60.35(17) . . ?
C1 C2 B7 110.8(2) . . ?
C1 C2 B8 111.2(2) . . ?
B3 C2 B6 114.3(2) . . ?
B3 C2 B7 114.3(2) . . ?
B3 C2 B8 61.89(18) . . ?
C3 C2 C1 129.9(2) . . ?
C3 C2 B3 128.5(2) . . ?
C3 C2 B6 112.2(2) . . ?
C3 C2 B7 105.6(2) . . ?
C3 C2 B8 115.7(2) . . ?
B7 C2 B6 62.67(18) . . ?
B7 C2 B8 62.63(19) . . ?
B8 C2 B6 113.9(2) . . ?
C1 B3 H3 124.9 . . ?
C1 B3 B4 57.82(17) . . ?
C1 B3 B8 104.7(2) . . ?
C1 B3 B9 104.8(2) . . ?
C2 B3 C1 56.99(16) . . ?
C2 B3 H3 124.2 . . ?
C2 B3 B4 104.2(2) . . ?
C2 B3 B8 59.36(18) . . ?
C2 B3 B9 105.7(2) . . ?
B4 B3 H3 122.6 . . ?
B8 B3 H3 121.9 . . ?
B8 B3 B4 107.9(2) . . ?
B8 B3 B9 60.14(18) . . ?
B9 B3 H3 122.4 . . ?
B9 B3 B4 60.36(18) . . ?
C4 C3 C2 108.6(2) . . ?
C12 C3 C2 130.5(3) . . ?
C12 C3 C4 120.8(3) . . ?
C1 B4 B3 59.59(17) . . ?
C1 B4 B5 58.84(18) . . ?
C1 B4 B9 105.1(2) . . ?
C1 B4 B10 104.5(2) . . ?
B5 B4 B3 108.1(2) . . ?
B5 B4 B9 107.7(2) . . ?
B5 B4 B10 59.04(19) . . ?
B9 B4 B3 59.09(18) . . ?
B10 B4 B3 107.4(2) . . ?
B10 B4 B9 60.5(2) . . ?
C15 B4 C1 100.9(2) . . ?
C15 B4 B3 110.9(2) . . ?
C15 B4 B5 113.6(2) . . ?
C15 B4 B9 138.3(3) . . ?
C15 B4 B10 141.0(3) . . ?
C3 C4 C5 116.5(2) . . ?
C9 C4 C3 120.9(3) . . ?
C9 C4 C5 122.6(3) . . ?
C1 B5 B4 58.37(17) . . ?
C1 B5 H5 124.9 . . ?
C1 B5 B6 58.83(18) . . ?
C1 B5 B10 105.3(2) . . ?
C1 B5 B11 105.4(2) . . ?
B4 B5 H5 121.1 . . ?
B6 B5 B4 108.4(2) . . ?
B6 B5 H5 121.1 . . ?
B6 B5 B10 109.4(2) . . ?
B6 B5 B11 60.30(19) . . ?
B10 B5 B4 60.6(2) . . ?
B10 B5 H5 121.3 . . ?
B10 B5 B11 61.3(2) . . ?
B11 B5 B4 109.5(2) . . ?
B11 B5 H5 121.3 . . ?
C4 C5 B7 108.0(2) . . ?
C6 C5 C4 117.7(3) . . ?
C6 C5 B7 134.3(3) . . ?
C1 B6 C2 57.00(16) . . ?
C1 B6 B5 59.63(17) . . ?
C1 B6 H6 123.9 . . ?
C1 B6 B7 104.2(2) . . ?
C1 B6 B11 105.9(2) . . ?
C2 B6 B5 104.8(2) . . ?
C2 B6 H6 125.0 . . ?
C2 B6 B7 57.85(17) . . ?
C2 B6 B11 104.5(2) . . ?
B5 B6 H6 121.9 . . ?
B5 B6 B7 107.5(2) . . ?
B5 B6 B11 60.18(19) . . ?
B7 B6 H6 122.9 . . ?
B11 B6 H6 122.5 . . ?
B11 B6 B7 59.88(18) . . ?
C5 C6 H6A 119.8 . . ?
C5 C6 C7 120.5(3) . . ?
C7 C6 H6A 119.8 . . ?
C2 B7 B6 59.48(17) . . ?
C2 B7 B8 58.80(17) . . ?
C2 B7 B11 105.3(2) . . ?
C2 B7 B12 104.7(2) . . ?
C5 B7 C2 101.2(2) . . ?
C5 B7 B6 112.2(3) . . ?
C5 B7 B8 112.2(2) . . ?
C5 B7 B11 139.0(3) . . ?
C5 B7 B12 139.5(3) . . ?
B8 B7 B6 108.2(2) . . ?
B11 B7 B6 59.19(18) . . ?
B11 B7 B8 108.3(2) . . ?
B11 B7 B12 60.8(2) . . ?
B12 B7 B6 107.7(2) . . ?
B12 B7 B8 59.4(2) . . ?
C6 C7 H7 119.0 . . ?
C8 C7 C6 121.9(3) . . ?
C8 C7 H7 119.0 . . ?
C2 B8 B3 58.75(17) . . ?
C2 B8 B7 58.57(17) . . ?
C2 B8 H8 124.8 . . ?
C2 B8 B9 105.2(2) . . ?
C2 B8 B12 105.2(2) . . ?
B3 B8 B7 108.3(2) . . ?
B3 B8 H8 121.2 . . ?
B3 B8 B9 60.15(18) . . ?
B3 B8 B12 109.2(2) . . ?
B7 B8 H8 121.2 . . ?
B9 B8 B7 109.2(2) . . ?
B9 B8 H8 121.5 . . ?
B12 B8 B7 60.3(2) . . ?
B12 B8 H8 121.5 . . ?
B12 B8 B9 61.2(2) . . ?
C7 C8 H8A 119.9 . . ?
C7 C8 C9 120.2(3) . . ?
C9 C8 H8A 119.9 . . ?
B3 B9 B4 60.55(17) . . ?
B3 B9 H9 121.6 . . ?
B3 B9 B10 108.0(2) . . ?
B3 B9 B12 107.3(2) . . ?
B4 B9 H9 121.7 . . ?
B4 B9 B10 59.74(19) . . ?
B4 B9 B12 107.2(3) . . ?
B8 B9 B3 59.71(18) . . ?
B8 B9 B4 107.7(2) . . ?
B8 B9 H9 122.3 . . ?
B8 B9 B10 106.9(3) . . ?
B8 B9 B12 59.34(19) . . ?
B10 B9 H9 122.2 . . ?
B12 B9 H9 122.5 . . ?
B12 B9 B10 59.4(2) . . ?
C4 C9 C8 117.1(3) . . ?
C4 C9 C10 117.0(3) . . ?
C8 C9 C10 125.9(3) . . ?
B4 B10 B9 59.79(19) . . ?
B4 B10 H10A 121.8 . . ?
B4 B10 B11 107.9(2) . . ?
B5 B10 B4 60.39(19) . . ?
B5 B10 B9 108.2(2) . . ?
B5 B10 H10A 121.8 . . ?
B5 B10 B11 59.39(19) . . ?
B5 B10 B12 107.7(2) . . ?
B9 B10 H10A 121.5 . . ?
B11 B10 B9 108.4(2) . . ?
B11 B10 H10A 121.7 . . ?
B12 B10 B4 107.8(2) . . ?
B12 B10 B9 60.2(2) . . ?
B12 B10 H10A 121.7 . . ?
B12 B10 B11 60.3(2) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.5(3) . . ?
C11 C10 H10 119.2 . . ?
B5 B11 B6 59.52(18) . . ?
B5 B11 B7 107.8(2) . . ?
B5 B11 B10 59.3(2) . . ?
B5 B11 H11A 122.4 . . ?
B5 B11 B12 107.1(3) . . ?
B6 B11 B7 60.92(18) . . ?
B6 B11 B10 107.2(2) . . ?
B6 B11 H11A 121.5 . . ?
B6 B11 B12 108.2(2) . . ?
B7 B11 B10 107.2(3) . . ?
B7 B11 H11A 121.6 . . ?
B7 B11 B12 59.69(19) . . ?
B10 B11 H11A 122.5 . . ?
B10 B11 B12 59.5(2) . . ?
B12 B11 H11A 122.0 . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 121.6(3) . . ?
C12 C11 H11 119.2 . . ?
B7 B12 B9 107.9(2) . . ?
B7 B12 B10 107.6(2) . . ?
B7 B12 B11 59.56(19) . . ?
B7 B12 H12A 121.9 . . ?
B8 B12 B7 60.35(19) . . ?
B8 B12 B9 59.5(2) . . ?
B8 B12 B10 107.8(2) . . ?
B8 B12 B11 108.1(2) . . ?
B8 B12 H12A 121.8 . . ?
B9 B12 B11 108.5(2) . . ?
B9 B12 H12A 121.6 . . ?
B10 B12 B9 60.4(2) . . ?
B10 B12 B11 60.2(2) . . ?
B10 B12 H12A 121.7 . . ?
B11 B12 H12A 121.6 . . ?
C3 C12 C11 118.1(3) . . ?
C3 C12 H12 120.9 . . ?
C11 C12 H12 120.9 . . ?
C14 C13 C1 108.8(2) . . ?
C22 C13 C1 130.5(3) . . ?
C22 C13 C14 120.7(3) . . ?
C13 C14 C15 115.9(2) . . ?
C19 C14 C13 120.7(3) . . ?
C19 C14 C15 123.4(3) . . ?
C14 C15 B4 108.6(2) . . ?
C16 C15 B4 134.6(3) . . ?
C16 C15 C14 116.8(3) . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 118.9 . . ?
C18 C17 C16 122.1(3) . . ?
C18 C17 H17 118.9 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0(3) . . ?
C19 C18 H18 120.0 . . ?
C14 C19 C18 117.0(3) . . ?
C14 C19 C20 117.5(3) . . ?
C20 C19 C18 125.5(3) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.0(3) . . ?
C21 C20 H20 119.5 . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 121.9(3) . . ?
C22 C21 H21 119.0 . . ?
C13 C22 C21 118.2(3) . . ?
C13 C22 H22 120.9 . . ?
C21 C22 H22 120.9 . . ?
C2A C1A B3A 60.31(18) . . ?
C2A C1A B4A 110.8(2) . . ?
C2A C1A B5A 110.9(2) . . ?
C2A C1A B6A 62.77(17) . . ?
B4A C1A B3A 62.60(18) . . ?
B4A C1A B5A 62.73(19) . . ?
B5A C1A B3A 113.7(2) . . ?
B6A C1A B3A 114.3(2) . . ?
B6A C1A B4A 114.1(2) . . ?
B6A C1A B5A 61.53(19) . . ?
C13A C1A C2A 129.1(2) . . ?
C13A C1A B3A 110.8(2) . . ?
C13A C1A B4A 105.2(2) . . ?
C13A C1A B5A 117.2(2) . . ?
C13A C1A B6A 129.8(2) . . ?
C1A C2A B3A 62.81(18) . . ?
C1A C2A B6A 60.22(18) . . ?
C1A C2A B7A 110.7(2) . . ?
C1A C2A B8A 110.9(2) . . ?
B3A C2A B6A 114.3(2) . . ?
B3A C2A B7A 114.3(2) . . ?
B3A C2A B8A 61.52(18) . . ?
C3A C2A C1A 129.3(2) . . ?
C3A C2A B3A 129.2(2) . . ?
C3A C2A B6A 111.5(2) . . ?
C3A C2A B7A 105.4(2) . . ?
C3A C2A B8A 116.9(2) . . ?
B7A C2A B6A 62.52(17) . . ?
B7A C2A B8A 62.82(18) . . ?
B8A C2A B6A 113.6(2) . . ?
C1A B3A H3A 125.0 . . ?
C1A B3A B4A 58.04(17) . . ?
C1A B3A B8A 104.8(2) . . ?
C1A B3A B9A 104.5(2) . . ?
C2A B3A C1A 56.89(17) . . ?
C2A B3A H3A 123.9 . . ?
C2A B3A B4A 104.4(2) . . ?
C2A B3A B8A 59.72(18) . . ?
C2A B3A B9A 106.0(3) . . ?
B4A B3A H3A 122.8 . . ?
B8A B3A H3A 121.8 . . ?
B8A B3A B4A 107.6(2) . . ?
B8A B3A B9A 60.3(2) . . ?
B9A B3A H3A 122.5 . . ?
B9A B3A B4A 59.81(18) . . ?
C4A C3A C2A 108.6(2) . . ?
C12A C3A C2A 130.4(3) . . ?
C12A C3A C4A 121.1(3) . . ?
C1A B4A B3A 59.35(17) . . ?
C1A B4A B5A 58.73(18) . . ?
C1A B4A B9A 105.1(2) . . ?
C1A B4A B10A 104.6(2) . . ?
B5A B4A B3A 107.9(2) . . ?
B9A B4A B3A 59.18(18) . . ?
B9A B4A B5A 107.8(2) . . ?
B9A B4A B10A 60.48(19) . . ?
B10A B4A B3A 107.4(2) . . ?
B10A B4A B5A 59.27(19) . . ?
C15A B4A C1A 101.1(2) . . ?
C15A B4A B3A 111.1(2) . . ?
C15A B4A B5A 113.6(2) . . ?
C15A B4A B9A 138.2(3) . . ?
C15A B4A B10A 140.8(3) . . ?
C3A C4A C5A 116.6(3) . . ?
C9A C4A C3A 120.6(3) . . ?
C9A C4A C5A 122.8(3) . . ?
C1A B5A B4A 58.54(18) . . ?
C1A B5A H5A 125.0 . . ?
C1A B5A B6A 58.56(18) . . ?
C1A B5A B10A 105.1(2) . . ?
C1A B5A B11A 105.1(2) . . ?
B4A B5A H5A 121.3 . . ?
B6A B5A B4A 108.2(2) . . ?
B6A B5A H5A 121.1 . . ?
B6A B5A B10A 109.3(2) . . ?
B6A B5A B11A 60.36(19) . . ?
B10A B5A B4A 60.18(19) . . ?
B10A B5A H5A 121.5 . . ?
B11A B5A B4A 109.0(2) . . ?
B11A B5A H5A 121.6 . . ?
B11A B5A B10A 61.2(2) . . ?
C4A C5A B7A 108.0(3) . . ?
C6A C5A C4A 117.6(3) . . ?
C6A C5A B7A 134.4(3) . . ?
C1A B6A C2A 57.01(16) . . ?
C1A B6A B5A 59.91(18) . . ?
C1A B6A H6AA 123.9 . . ?
C1A B6A B7A 104.4(2) . . ?
C1A B6A B11A 105.9(3) . . ?
C2A B6A B5A 105.1(2) . . ?
C2A B6A H6AA 124.9 . . ?
C2A B6A B7A 57.87(17) . . ?
C2A B6A B11A 104.5(2) . . ?
B5A B6A H6AA 121.6 . . ?
B5A B6A B7A 107.9(2) . . ?
B5A B6A B11A 60.2(2) . . ?
B7A B6A H6AA 122.7 . . ?
B11A B6A H6AA 122.6 . . ?
B11A B6A B7A 60.00(19) . . ?
C5A C6A H6AB 119.8 . . ?
C5A C6A C7A 120.3(3) . . ?
C7A C6A H6AB 119.8 . . ?
C2A B7A B6A 59.61(17) . . ?
C2A B7A B8A 58.89(18) . . ?
C2A B7A B11A 105.3(2) . . ?
C2A B7A B12A 104.6(2) . . ?
C5A B7A C2A 101.2(2) . . ?
C5A B7A B6A 112.4(3) . . ?
C5A B7A B8A 112.5(2) . . ?
C5A B7A B11A 139.3(3) . . ?
C5A B7A B12A 139.6(3) . . ?
B8A B7A B6A 108.1(2) . . ?
B11A B7A B6A 59.33(19) . . ?
B11A B7A B8A 107.5(3) . . ?
B11A B7A B12A 60.2(2) . . ?
B12A B7A B6A 107.4(2) . . ?
B12A B7A B8A 59.1(2) . . ?
C6A C7A H7A 119.2 . . ?
C8A C7A C6A 121.7(3) . . ?
C8A C7A H7A 119.2 . . ?
C2A B8A B3A 58.76(18) . . ?
C2A B8A B7A 58.29(18) . . ?
C2A B8A H8AA 125.0 . . ?
C2A B8A B9A 105.3(2) . . ?
C2A B8A B12A 105.0(2) . . ?
B3A B8A B7A 108.2(2) . . ?
B3A B8A H8AA 121.1 . . ?
B3A B8A B9A 60.32(19) . . ?
B3A B8A B12A 109.5(2) . . ?
B7A B8A H8AA 121.3 . . ?
B9A B8A B7A 109.4(2) . . ?
B9A B8A H8AA 121.3 . . ?
B12A B8A B7A 60.3(2) . . ?
B12A B8A H8AA 121.4 . . ?
B12A B8A B9A 61.5(2) . . ?
C7A C8A H8AB 119.6 . . ?
C7A C8A C9A 120.8(3) . . ?
C9A C8A H8AB 119.6 . . ?
B3A B9A B4A 61.01(18) . . ?
B3A B9A H9A 121.6 . . ?
B3A B9A B10A 108.5(2) . . ?
B3A B9A B12A 106.9(3) . . ?
B4A B9A H9A 121.4 . . ?
B4A B9A B10A 59.96(19) . . ?
B4A B9A B12A 107.3(2) . . ?
B8A B9A B3A 59.42(19) . . ?
B8A B9A B4A 107.9(2) . . ?
B8A B9A H9A 122.4 . . ?
B8A B9A B10A 107.1(3) . . ?
B8A B9A B12A 59.1(2) . . ?
B10A B9A H9A 121.8 . . ?
B10A B9A B12A 59.5(2) . . ?
B12A B9A H9A 122.8 . . ?
C4A C9A C8A 116.8(3) . . ?
C10A C9A C4A 117.8(3) . . ?
C10A C9A C8A 125.3(3) . . ?
B4A B10A B9A 59.56(19) . . ?
B4A B10A H10C 121.8 . . ?
B4A B10A B11A 107.8(2) . . ?
B4A B10A B12A 107.7(2) . . ?
B5A B10A B4A 60.55(19) . . ?
B5A B10A B9A 108.1(2) . . ?
B5A B10A H10C 122.0 . . ?
B5A B10A B11A 59.27(19) . . ?
B5A B10A B12A 107.2(2) . . ?
B9A B10A H10C 121.5 . . ?
B9A B10A B11A 108.2(3) . . ?
B11A B10A H10C 122.0 . . ?
B12A B10A B9A 60.4(2) . . ?
B12A B10A H10C 122.0 . . ?
B12A B10A B11A 59.7(2) . . ?
C9A C10A H10B 119.7 . . ?
C11A C10A C9A 120.6(3) . . ?
C11A C10A H10B 119.7 . . ?
B5A B11A B6A 59.47(19) . . ?
B5A B11A B7A 107.9(2) . . ?
B5A B11A B10A 59.6(2) . . ?
B5A B11A H11C 122.2 . . ?
B5A B11A B12A 107.5(2) . . ?
B6A B11A B7A 60.67(18) . . ?
B6A B11A B10A 107.4(3) . . ?
B6A B11A H11C 121.7 . . ?
B6A B11A B12A 108.3(2) . . ?
B7A B11A B10A 107.7(3) . . ?
B7A B11A H11C 121.5 . . ?
B7A B11A B12A 60.0(2) . . ?
B10A B11A H11C 122.2 . . ?
B12A B11A B10A 59.8(2) . . ?
B12A B11A H11C 121.8 . . ?
C10A C11A H11B 119.1 . . ?
C10A C11A C12A 121.9(3) . . ?
C12A C11A H11B 119.1 . . ?
B7A B12A B9A 108.1(2) . . ?
B7A B12A B10A 108.2(2) . . ?
B7A B12A B11A 59.86(19) . . ?
B7A B12A H12C 121.5 . . ?
B8A B12A B7A 60.64(19) . . ?
B8A B12A B9A 59.43(19) . . ?
B8A B12A B10A 107.8(2) . . ?
B8A B12A B11A 108.5(2) . . ?
B8A B12A H12C 121.7 . . ?
B9A B12A H12C 121.8 . . ?
B10A B12A B9A 60.0(2) . . ?
B10A B12A H12C 121.7 . . ?
B11A B12A B9A 108.4(2) . . ?
B11A B12A B10A 60.4(2) . . ?
B11A B12A H12C 121.3 . . ?
C3A C12A C11A 118.0(3) . . ?
C3A C12A H12B 121.0 . . ?
C11A C12A H12B 121.0 . . ?
C14A C13A C1A 108.9(2) . . ?
C22A C13A C1A 130.6(3) . . ?
C22A C13A C14A 120.5(3) . . ?
C13A C14A C15A 116.5(3) . . ?
C19A C14A C13A 120.7(3) . . ?
C19A C14A C15A 122.8(3) . . ?
C14A C15A B4A 108.2(2) . . ?
C16A C15A B4A 134.4(3) . . ?
C16A C15A C14A 117.4(3) . . ?
C15A C16A H16A 119.8 . . ?
C15A C16A C17A 120.4(3) . . ?
C17A C16A H16A 119.8 . . ?
C16A C17A H17A 119.0 . . ?
C18A C17A C16A 122.1(3) . . ?
C18A C17A H17A 119.0 . . ?
C17A C18A H18A 120.0 . . ?
C17A C18A C19A 120.0(3) . . ?
C19A C18A H18A 120.0 . . ?
C14A C19A C18A 117.2(3) . . ?
C14A C19A C20A 117.7(3) . . ?
C20A C19A C18A 125.1(3) . . ?
C19A C20A H20A 119.8 . . ?
C21A C20A C19A 120.5(3) . . ?
C21A C20A H20A 119.8 . . ?
C20A C21A H21A 119.1 . . ?
C20A C21A C22A 121.9(3) . . ?
C22A C21A H21A 119.1 . . ?
C13A C22A C21A 118.7(3) . . ?
C13A C22A H22A 120.7 . . ?
C21A C22A H22A 120.7 . . ?
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 1.646(4) . ?
C1 B3 1.743(4) . ?
C1 B4 1.711(4) . ?
C1 B5 1.719(4) . ?
C1 B6 1.705(4) . ?
C1 C13 1.489(4) . ?
C2 B3 1.706(4) . ?
C2 C3 1.492(4) . ?
C2 B6 1.743(4) . ?
C2 B7 1.713(4) . ?
C2 B8 1.717(4) . ?
B3 H3 1.1100 . ?
B3 B4 1.794(4) . ?
B3 B8 1.760(4) . ?
B3 B9 1.768(4) . ?
C3 C4 1.420(4) . ?
C3 C12 1.375(4) . ?
B4 B5 1.787(5) . ?
B4 B9 1.791(5) . ?
B4 B10 1.790(5) . ?
B4 C15 1.568(4) . ?
C4 C5 1.428(4) . ?
C4 C9 1.407(4) . ?
B5 H5 1.1100 . ?
B5 B6 1.752(5) . ?
B5 B10 1.762(5) . ?
B5 B11 1.764(5) . ?
C5 C6 1.365(4) . ?
C5 B7 1.571(4) . ?
B6 H6 1.1100 . ?
B6 B7 1.797(4) . ?
B6 B11 1.766(5) . ?
C6 H6A 0.9400 . ?
C6 C7 1.408(5) . ?
B7 B8 1.783(5) . ?
B7 B11 1.779(5) . ?
B7 B12 1.781(5) . ?
C7 H7 0.9400 . ?
C7 C8 1.362(5) . ?
B8 H8 1.1100 . ?
B8 B9 1.768(5) . ?
B8 B12 1.766(5) . ?
C8 H8A 0.9400 . ?
C8 C9 1.416(4) . ?
B9 H9 1.1100 . ?
B9 B10 1.803(5) . ?
B9 B12 1.799(5) . ?
C9 C10 1.418(4) . ?
B10 H10A 1.1100 . ?
B10 B11 1.798(5) . ?
B10 B12 1.786(5) . ?
C10 H10 0.9400 . ?
C10 C11 1.363(4) . ?
B11 H11A 1.1100 . ?
B11 B12 1.800(5) . ?
C11 H11 0.9400 . ?
C11 C12 1.415(4) . ?
B12 H12A 1.1100 . ?
C12 H12 0.9400 . ?
C13 C14 1.423(4) . ?
C13 C22 1.369(4) . ?
C14 C15 1.426(4) . ?
C14 C19 1.406(4) . ?
C15 C16 1.379(4) . ?
C16 H16 0.9400 . ?
C16 C17 1.408(5) . ?
C17 H17 0.9400 . ?
C17 C18 1.364(5) . ?
C18 H18 0.9400 . ?
C18 C19 1.419(5) . ?
C19 C20 1.412(5) . ?
C20 H20 0.9400 . ?
C20 C21 1.364(4) . ?
C21 H21 0.9400 . ?
C21 C22 1.414(4) . ?
C22 H22 0.9400 . ?
C1A C2A 1.646(4) . ?
C1A B3A 1.748(4) . ?
C1A B4A 1.724(4) . ?
C1A B5A 1.727(4) . ?
C1A B6A 1.703(4) . ?
C1A C13A 1.492(4) . ?
C2A B3A 1.707(5) . ?
C2A C3A 1.493(4) . ?
C2A B6A 1.745(4) . ?
C2A B7A 1.713(4) . ?
C2A B8A 1.724(4) . ?
B3A H3A 1.1100 . ?
B3A B4A 1.804(4) . ?
B3A B8A 1.755(5) . ?
B3A B9A 1.771(5) . ?
C3A C4A 1.417(4) . ?
C3A C12A 1.366(4) . ?
B4A B5A 1.796(5) . ?
B4A B9A 1.782(5) . ?
B4A B10A 1.789(5) . ?
B4A C15A 1.565(4) . ?
C4A C5A 1.426(4) . ?
C4A C9A 1.406(4) . ?
B5A H5A 1.1100 . ?
B5A B6A 1.755(5) . ?
B5A B10A 1.773(5) . ?
B5A B11A 1.767(5) . ?
C5A C6A 1.376(4) . ?
C5A B7A 1.565(5) . ?
B6A H6AA 1.1100 . ?
B6A B7A 1.794(4) . ?
B6A B11A 1.770(5) . ?
C6A H6AB 0.9400 . ?
C6A C7A 1.409(5) . ?
B7A B8A 1.791(5) . ?
B7A B11A 1.783(5) . ?
B7A B12A 1.784(5) . ?
C7A H7A 0.9400 . ?
C7A C8A 1.361(5) . ?
B8A H8AA 1.1100 . ?
B8A B9A 1.770(5) . ?
B8A B12A 1.764(5) . ?
C8A H8AB 0.9400 . ?
C8A C9A 1.417(5) . ?
B9A H9A 1.1100 . ?
B9A B10A 1.799(5) . ?
B9A B12A 1.806(5) . ?
C9A C10A 1.403(5) . ?
B10A H10C 1.1100 . ?
B10A B11A 1.801(5) . ?
B10A B12A 1.790(5) . ?
C10A H10B 0.9400 . ?
C10A C11A 1.377(5) . ?
B11A H11C 1.1100 . ?
B11A B12A 1.788(5) . ?
C11A H11B 0.9400 . ?
C11A C12A 1.414(4) . ?
B12A H12C 1.1100 . ?
C12A H12B 0.9400 . ?
C13A C14A 1.418(4) . ?
C13A C22A 1.366(4) . ?
C14A C15A 1.428(4) . ?
C14A C19A 1.405(4) . ?
C15A C16A 1.371(4) . ?
C16A H16A 0.9400 . ?
C16A C17A 1.408(5) . ?
C17A H17A 0.9400 . ?
C17A C18A 1.364(5) . ?
C18A H18A 0.9400 . ?
C18A C19A 1.416(4) . ?
C19A C20A 1.414(4) . ?
C20A H20A 0.9400 . ?
C20A C21A 1.369(4) . ?
C21A H21A 0.9400 . ?
C21A C22A 1.407(4) . ?
C22A H22A 0.9400 . ?
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
C1 C2 B3 B4 34.95(19) . . . . ?
C1 C2 B3 B8 137.5(2) . . . . ?
C1 C2 B3 B9 97.6(2) . . . . ?
C1 C2 C3 C4 -138.4(3) . . . . ?
C1 C2 C3 C12 44.1(5) . . . . ?
C1 C2 B6 B5 -37.35(19) . . . . ?
C1 C2 B6 B7 -139.0(2) . . . . ?
C1 C2 B6 B11 -99.8(2) . . . . ?
C1 C2 B7 C5 146.9(2) . . . . ?
C1 C2 B7 B6 37.6(2) . . . . ?
C1 C2 B7 B8 -103.8(2) . . . . ?
C1 C2 B7 B11 -1.4(3) . . . . ?
C1 C2 B7 B12 -64.5(3) . . . . ?
C1 C2 B8 B3 -40.0(2) . . . . ?
C1 C2 B8 B7 103.2(2) . . . . ?
C1 C2 B8 B9 -0.3(3) . . . . ?
C1 C2 B8 B12 63.4(3) . . . . ?
C1 B3 B4 B5 34.6(2) . . . . ?
C1 B3 B4 B9 134.8(3) . . . . ?
C1 B3 B4 B10 96.9(2) . . . . ?
C1 B3 B4 C15 -90.6(3) . . . . ?
C1 B3 B8 C2 35.84(19) . . . . ?
C1 B3 B8 B7 3.3(3) . . . . ?
C1 B3 B8 B9 -98.8(2) . . . . ?
C1 B3 B8 B12 -60.7(3) . . . . ?
C1 B3 B9 B4 -38.4(2) . . . . ?
C1 B3 B9 B8 98.8(2) . . . . ?
C1 B3 B9 B10 -0.7(3) . . . . ?
C1 B3 B9 B12 62.0(3) . . . . ?
C1 B4 B5 B6 32.3(2) . . . . ?
C1 B4 B5 B10 134.7(2) . . . . ?
C1 B4 B5 B11 96.5(2) . . . . ?
C1 B4 B9 B3 39.4(2) . . . . ?
C1 B4 B9 B8 1.3(3) . . . . ?
C1 B4 B9 B10 -98.3(2) . . . . ?
C1 B4 B9 B12 -61.2(3) . . . . ?
C1 B4 B10 B5 -38.9(2) . . . . ?
C1 B4 B10 B9 99.4(2) . . . . ?
C1 B4 B10 B11 -1.9(3) . . . . ?
C1 B4 B10 B12 61.8(3) . . . . ?
C1 B4 C15 C14 -1.4(3) . . . . ?
C1 B4 C15 C16 178.5(3) . . . . ?
C1 B5 B6 C2 36.14(19) . . . . ?
C1 B5 B6 B7 96.5(2) . . . . ?
C1 B5 B6 B11 134.6(3) . . . . ?
C1 B5 B10 B4 38.9(2) . . . . ?
C1 B5 B10 B9 1.6(3) . . . . ?
C1 B5 B10 B11 -99.5(2) . . . . ?
C1 B5 B10 B12 -62.0(3) . . . . ?
C1 B5 B11 B6 -39.2(2) . . . . ?
C1 B5 B11 B7 -0.5(3) . . . . ?
C1 B5 B11 B10 99.3(3) . . . . ?
C1 B5 B11 B12 62.3(3) . . . . ?
C1 B6 B7 C2 -34.61(19) . . . . ?
C1 B6 B7 C5 -124.8(2) . . . . ?
C1 B6 B7 B8 -0.4(3) . . . . ?
C1 B6 B7 B11 100.4(2) . . . . ?
C1 B6 B7 B12 62.3(3) . . . . ?
C1 B6 B11 B5 39.7(2) . . . . ?
C1 B6 B11 B7 -97.5(2) . . . . ?
C1 B6 B11 B10 3.0(3) . . . . ?
C1 B6 B11 B12 -59.8(3) . . . . ?
C1 C13 C14 C15 -0.2(3) . . . . ?
C1 C13 C14 C19 -179.2(2) . . . . ?
C1 C13 C22 C21 179.8(3) . . . . ?
C2 C1 B3 B4 -139.0(2) . . . . ?
C2 C1 B3 B8 -36.9(2) . . . . ?
C2 C1 B3 B9 -99.3(2) . . . . ?
C2 C1 B4 B3 37.6(2) . . . . ?
C2 C1 B4 B5 -103.3(2) . . . . ?
C2 C1 B4 B9 -1.5(3) . . . . ?
C2 C1 B4 B10 -64.3(3) . . . . ?
C2 C1 B4 C15 145.6(2) . . . . ?
C2 C1 B5 B4 103.4(2) . . . . ?
C2 C1 B5 B6 -40.2(2) . . . . ?
C2 C1 B5 B10 63.5(3) . . . . ?
C2 C1 B5 B11 -0.3(3) . . . . ?
C2 C1 B6 B5 137.2(2) . . . . ?
C2 C1 B6 B7 34.99(19) . . . . ?
C2 C1 B6 B11 97.2(2) . . . . ?
C2 C1 C13 C14 -135.8(3) . . . . ?
C2 C1 C13 C22 46.1(5) . . . . ?
C2 B3 B4 C1 -34.58(19) . . . . ?
C2 B3 B4 B5 0.0(3) . . . . ?
C2 B3 B4 B9 100.2(3) . . . . ?
C2 B3 B4 B10 62.3(3) . . . . ?
C2 B3 B4 C15 -125.2(3) . . . . ?
C2 B3 B8 B7 -32.5(2) . . . . ?
C2 B3 B8 B9 -134.6(3) . . . . ?
C2 B3 B8 B12 -96.5(3) . . . . ?
C2 B3 B9 B4 -97.7(2) . . . . ?
C2 B3 B9 B8 39.5(2) . . . . ?
C2 B3 B9 B10 -60.0(3) . . . . ?
C2 B3 B9 B12 2.7(3) . . . . ?
C2 C3 C4 C5 2.8(3) . . . . ?
C2 C3 C4 C9 -176.9(3) . . . . ?
C2 C3 C12 C11 177.5(3) . . . . ?
C2 B6 B7 C5 -90.1(3) . . . . ?
C2 B6 B7 B8 34.2(2) . . . . ?
C2 B6 B7 B11 135.0(3) . . . . ?
C2 B6 B7 B12 97.0(2) . . . . ?
C2 B6 B11 B5 98.9(2) . . . . ?
C2 B6 B11 B7 -38.2(2) . . . . ?
C2 B6 B11 B10 62.3(3) . . . . ?
C2 B6 B11 B12 -0.5(3) . . . . ?
C2 B7 B8 B3 32.6(2) . . . . ?
C2 B7 B8 B9 96.5(2) . . . . ?
C2 B7 B8 B12 134.7(2) . . . . ?
C2 B7 B11 B5 1.2(3) . . . . ?
C2 B7 B11 B6 39.2(2) . . . . ?
C2 B7 B11 B10 -61.3(3) . . . . ?
C2 B7 B11 B12 -98.6(3) . . . . ?
C2 B7 B12 B8 -39.0(2) . . . . ?
C2 B7 B12 B9 -1.9(3) . . . . ?
C2 B7 B12 B10 61.9(3) . . . . ?
C2 B7 B12 B11 99.5(2) . . . . ?
C2 B8 B9 B3 -39.1(2) . . . . ?
C2 B8 B9 B4 -0.7(3) . . . . ?
C2 B8 B9 B10 62.2(3) . . . . ?
C2 B8 B9 B12 99.2(3) . . . . ?
C2 B8 B12 B7 39.0(2) . . . . ?
C2 B8 B12 B9 -99.3(2) . . . . ?
C2 B8 B12 B10 -61.6(3) . . . . ?
C2 B8 B12 B11 2.0(3) . . . . ?
B3 C1 C2 C3 -118.8(3) . . . . ?
B3 C1 C2 B6 146.0(2) . . . . ?
B3 C1 C2 B7 107.4(2) . . . . ?
B3 C1 C2 B8 39.7(2) . . . . ?
B3 C1 B4 B5 -140.9(2) . . . . ?
B3 C1 B4 B9 -39.1(2) . . . . ?
B3 C1 B4 B10 -101.9(2) . . . . ?
B3 C1 B4 C15 108.0(2) . . . . ?
B3 C1 B5 B4 37.7(2) . . . . ?
B3 C1 B5 B6 -105.9(2) . . . . ?
B3 C1 B5 B10 -2.2(3) . . . . ?
B3 C1 B5 B11 -66.0(3) . . . . ?
B3 C1 B6 C2 -32.3(2) . . . . ?
B3 C1 B6 B5 104.9(2) . . . . ?
B3 C1 B6 B7 2.7(3) . . . . ?
B3 C1 B6 B11 64.9(3) . . . . ?
B3 C1 C13 C14 -67.0(3) . . . . ?
B3 C1 C13 C22 114.9(3) . . . . ?
B3 C2 C3 C4 137.3(3) . . . . ?
B3 C2 C3 C12 -40.2(4) . . . . ?
B3 C2 B6 C1 33.1(2) . . . . ?
B3 C2 B6 B5 -4.3(3) . . . . ?
B3 C2 B6 B7 -105.9(2) . . . . ?
B3 C2 B6 B11 -66.7(3) . . . . ?
B3 C2 B7 C5 -144.7(2) . . . . ?
B3 C2 B7 B6 106.0(2) . . . . ?
B3 C2 B7 B8 -35.4(2) . . . . ?
B3 C2 B7 B11 67.0(3) . . . . ?
B3 C2 B7 B12 3.9(3) . . . . ?
B3 C2 B8 B7 143.2(2) . . . . ?
B3 C2 B8 B9 39.8(2) . . . . ?
B3 C2 B8 B12 103.5(2) . . . . ?
B3 B4 B5 C1 -34.9(2) . . . . ?
B3 B4 B5 B6 -2.6(3) . . . . ?
B3 B4 B5 B10 99.8(2) . . . . ?
B3 B4 B5 B11 61.6(3) . . . . ?
B3 B4 B9 B8 -38.0(2) . . . . ?
B3 B4 B9 B10 -137.7(3) . . . . ?
B3 B4 B9 B12 -100.5(3) . . . . ?
B3 B4 B10 B5 -101.1(2) . . . . ?
B3 B4 B10 B9 37.2(2) . . . . ?
B3 B4 B10 B11 -64.1(3) . . . . ?
B3 B4 B10 B12 -0.4(3) . . . . ?
B3 B4 C15 C14 60.1(3) . . . . ?
B3 B4 C15 C16 -120.1(4) . . . . ?
B3 B8 B9 B4 38.4(2) . . . . ?
B3 B8 B9 B10 101.3(2) . . . . ?
B3 B8 B9 B12 138.3(3) . . . . ?
B3 B8 B12 B7 100.6(2) . . . . ?
B3 B8 B12 B9 -37.6(2) . . . . ?
B3 B8 B12 B10 0.0(3) . . . . ?
B3 B8 B12 B11 63.6(3) . . . . ?
B3 B9 B10 B4 -38.0(2) . . . . ?
B3 B9 B10 B5 -0.5(3) . . . . ?
B3 B9 B10 B11 62.4(3) . . . . ?
B3 B9 B10 B12 99.9(3) . . . . ?
B3 B9 B12 B7 -0.5(3) . . . . ?
B3 B9 B12 B8 37.0(2) . . . . ?
B3 B9 B12 B10 -101.0(3) . . . . ?
B3 B9 B12 B11 -63.5(3) . . . . ?
C3 C2 B3 C1 120.7(3) . . . . ?
C3 C2 B3 B4 155.7(2) . . . . ?
C3 C2 B3 B8 -101.8(3) . . . . ?
C3 C2 B3 B9 -141.7(3) . . . . ?
C3 C2 B6 C1 -124.3(2) . . . . ?
C3 C2 B6 B5 -161.7(2) . . . . ?
C3 C2 B6 B7 96.7(2) . . . . ?
C3 C2 B6 B11 135.9(2) . . . . ?
C3 C2 B7 C5 2.0(3) . . . . ?
C3 C2 B7 B6 -107.3(2) . . . . ?
C3 C2 B7 B8 111.3(2) . . . . ?
C3 C2 B7 B11 -146.3(2) . . . . ?
C3 C2 B7 B12 150.5(2) . . . . ?
C3 C2 B8 B3 121.8(3) . . . . ?
C3 C2 B8 B7 -95.0(3) . . . . ?
C3 C2 B8 B9 161.5(2) . . . . ?
C3 C2 B8 B12 -134.8(3) . . . . ?
C3 C4 C5 C6 179.1(3) . . . . ?
C3 C4 C5 B7 -1.4(3) . . . . ?
C3 C4 C9 C8 -179.7(3) . . . . ?
C3 C4 C9 C10 -1.4(4) . . . . ?
B4 C1 C2 B3 -38.5(2) . . . . ?
B4 C1 C2 C3 -157.3(3) . . . . ?
B4 C1 C2 B6 107.4(2) . . . . ?
B4 C1 C2 B7 68.8(3) . . . . ?
B4 C1 C2 B8 1.2(3) . . . . ?
B4 C1 B3 C2 139.0(2) . . . . ?
B4 C1 B3 B8 102.1(2) . . . . ?
B4 C1 B3 B9 39.7(2) . . . . ?
B4 C1 B5 B6 -143.6(2) . . . . ?
B4 C1 B5 B10 -39.9(2) . . . . ?
B4 C1 B5 B11 -103.7(3) . . . . ?
B4 C1 B6 C2 -101.8(2) . . . . ?
B4 C1 B6 B5 35.4(2) . . . . ?
B4 C1 B6 B7 -66.8(3) . . . . ?
B4 C1 B6 B11 -4.6(3) . . . . ?
B4 C1 C13 C14 -0.7(3) . . . . ?
B4 C1 C13 C22 -178.8(3) . . . . ?
B4 B3 B8 C2 96.3(2) . . . . ?
B4 B3 B8 B7 63.7(3) . . . . ?
B4 B3 B8 B9 -38.4(2) . . . . ?
B4 B3 B8 B12 -0.3(3) . . . . ?
B4 B3 B9 B8 137.2(3) . . . . ?
B4 B3 B9 B10 37.7(2) . . . . ?
B4 B3 B9 B12 100.4(3) . . . . ?
B4 B5 B6 C1 -32.1(2) . . . . ?
B4 B5 B6 C2 4.0(3) . . . . ?
B4 B5 B6 B7 64.4(3) . . . . ?
B4 B5 B6 B11 102.5(3) . . . . ?
B4 B5 B10 B9 -37.2(2) . . . . ?
B4 B5 B10 B11 -138.3(2) . . . . ?
B4 B5 B10 B12 -100.8(3) . . . . ?
B4 B5 B11 B6 -100.5(2) . . . . ?
B4 B5 B11 B7 -61.9(3) . . . . ?
B4 B5 B11 B10 37.9(2) . . . . ?
B4 B5 B11 B12 1.0(3) . . . . ?
B4 B9 B10 B5 37.5(2) . . . . ?
B4 B9 B10 B11 100.4(3) . . . . ?
B4 B9 B10 B12 137.9(2) . . . . ?
B4 B9 B12 B7 63.2(3) . . . . ?
B4 B9 B12 B8 100.7(2) . . . . ?
B4 B9 B12 B10 -37.3(2) . . . . ?
B4 B9 B12 B11 0.2(3) . . . . ?
B4 B10 B11 B5 -37.4(2) . . . . ?
B4 B10 B11 B6 -0.7(3) . . . . ?
B4 B10 B11 B7 63.4(3) . . . . ?
B4 B10 B11 B12 100.7(3) . . . . ?
B4 B10 B12 B7 -63.5(3) . . . . ?
B4 B10 B12 B8 0.2(3) . . . . ?
B4 B10 B12 B9 37.5(2) . . . . ?
B4 B10 B12 B11 -100.8(3) . . . . ?
B4 C15 C16 C17 180.0(3) . . . . ?
C4 C3 C12 C11 0.3(4) . . . . ?
C4 C5 C6 C7 0.9(5) . . . . ?
C4 C5 B7 C2 -0.5(3) . . . . ?
C4 C5 B7 B6 60.9(3) . . . . ?
C4 C5 B7 B8 -61.1(3) . . . . ?
C4 C5 B7 B11 129.0(4) . . . . ?
C4 C5 B7 B12 -129.5(4) . . . . ?
C4 C9 C10 C11 0.8(4) . . . . ?
B5 C1 C2 B3 -106.2(2) . . . . ?
B5 C1 C2 C3 135.0(3) . . . . ?
B5 C1 C2 B6 39.7(2) . . . . ?
B5 C1 C2 B7 1.1(3) . . . . ?
B5 C1 C2 B8 -66.5(3) . . . . ?
B5 C1 B3 C2 101.2(2) . . . . ?
B5 C1 B3 B4 -37.8(2) . . . . ?
B5 C1 B3 B8 64.3(3) . . . . ?
B5 C1 B3 B9 1.9(3) . . . . ?
B5 C1 B4 B3 140.9(2) . . . . ?
B5 C1 B4 B9 101.8(3) . . . . ?
B5 C1 B4 B10 39.0(2) . . . . ?
B5 C1 B4 C15 -111.1(2) . . . . ?
B5 C1 B6 C2 -137.2(2) . . . . ?
B5 C1 B6 B7 -102.2(2) . . . . ?
B5 C1 B6 B11 -39.9(2) . . . . ?
B5 C1 C13 C14 66.4(3) . . . . ?
B5 C1 C13 C22 -111.7(3) . . . . ?
B5 B4 B9 B3 100.9(2) . . . . ?
B5 B4 B9 B8 62.9(3) . . . . ?
B5 B4 B9 B10 -36.8(2) . . . . ?
B5 B4 B9 B12 0.4(3) . . . . ?
B5 B4 B10 B9 138.3(2) . . . . ?
B5 B4 B10 B11 37.0(2) . . . . ?
B5 B4 B10 B12 100.7(3) . . . . ?
B5 B4 C15 C14 -62.0(3) . . . . ?
B5 B4 C15 C16 117.9(4) . . . . ?
B5 B6 B7 C2 -96.8(2) . . . . ?
B5 B6 B7 C5 173.1(2) . . . . ?
B5 B6 B7 B8 -62.6(3) . . . . ?
B5 B6 B7 B11 38.2(2) . . . . ?
B5 B6 B7 B12 0.2(3) . . . . ?
B5 B6 B11 B7 -137.2(3) . . . . ?
B5 B6 B11 B10 -36.7(2) . . . . ?
B5 B6 B11 B12 -99.5(3) . . . . ?
B5 B10 B11 B6 36.7(2) . . . . ?
B5 B10 B11 B7 100.9(2) . . . . ?
B5 B10 B11 B12 138.2(2) . . . . ?
B5 B10 B12 B7 0.3(3) . . . . ?
B5 B10 B12 B8 64.0(3) . . . . ?
B5 B10 B12 B9 101.2(3) . . . . ?
B5 B10 B12 B11 -37.1(2) . . . . ?
B5 B11 B12 B7 -101.0(2) . . . . ?
B5 B11 B12 B8 -63.7(3) . . . . ?
B5 B11 B12 B9 -0.7(3) . . . . ?
B5 B11 B12 B10 36.9(2) . . . . ?
C5 C4 C9 C8 0.5(4) . . . . ?
C5 C4 C9 C10 178.8(3) . . . . ?
C5 C6 C7 C8 -0.1(5) . . . . ?
C5 B7 B8 C2 89.9(2) . . . . ?
C5 B7 B8 B3 122.5(3) . . . . ?
C5 B7 B8 B9 -173.6(2) . . . . ?
C5 B7 B8 B12 -135.4(3) . . . . ?
C5 B7 B11 B5 -127.1(4) . . . . ?
C5 B7 B11 B6 -89.1(4) . . . . ?
C5 B7 B11 B10 170.4(3) . . . . ?
C5 B7 B11 B12 133.1(4) . . . . ?
C5 B7 B12 B8 89.0(4) . . . . ?
C5 B7 B12 B9 126.1(4) . . . . ?
C5 B7 B12 B10 -170.1(3) . . . . ?
C5 B7 B12 B11 -132.5(4) . . . . ?
B6 C1 C2 B3 -146.0(2) . . . . ?
B6 C1 C2 C3 95.3(3) . . . . ?
B6 C1 C2 B7 -38.6(2) . . . . ?
B6 C1 C2 B8 -106.3(2) . . . . ?
B6 C1 B3 C2 33.1(2) . . . . ?
B6 C1 B3 B4 -105.9(2) . . . . ?
B6 C1 B3 B8 -3.8(3) . . . . ?
B6 C1 B3 B9 -66.3(3) . . . . ?
B6 C1 B4 B3 106.0(2) . . . . ?
B6 C1 B4 B5 -34.9(2) . . . . ?
B6 C1 B4 B9 66.9(3) . . . . ?
B6 C1 B4 B10 4.1(3) . . . . ?
B6 C1 B4 C15 -146.0(2) . . . . ?
B6 C1 B5 B4 143.6(2) . . . . ?
B6 C1 B5 B10 103.7(2) . . . . ?
B6 C1 B5 B11 39.9(2) . . . . ?
B6 C1 C13 C14 140.1(3) . . . . ?
B6 C1 C13 C22 -38.0(4) . . . . ?
B6 C2 B3 C1 -32.3(2) . . . . ?
B6 C2 B3 B4 2.7(3) . . . . ?
B6 C2 B3 B8 105.2(2) . . . . ?
B6 C2 B3 B9 65.4(3) . . . . ?
B6 C2 C3 C4 -69.2(3) . . . . ?
B6 C2 C3 C12 113.3(3) . . . . ?
B6 C2 B7 C5 109.3(3) . . . . ?
B6 C2 B7 B8 -141.4(2) . . . . ?
B6 C2 B7 B11 -39.0(2) . . . . ?
B6 C2 B7 B12 -102.1(2) . . . . ?
B6 C2 B8 B3 -105.9(2) . . . . ?
B6 C2 B8 B7 37.3(2) . . . . ?
B6 C2 B8 B9 -66.1(3) . . . . ?
B6 C2 B8 B12 -2.5(3) . . . . ?
B6 B5 B10 B4 100.7(3) . . . . ?
B6 B5 B10 B9 63.4(3) . . . . ?
B6 B5 B10 B11 -37.6(2) . . . . ?
B6 B5 B10 B12 -0.2(3) . . . . ?
B6 B5 B11 B7 38.6(2) . . . . ?
B6 B5 B11 B10 138.5(3) . . . . ?
B6 B5 B11 B12 101.5(2) . . . . ?
B6 B7 B8 C2 -34.5(2) . . . . ?
B6 B7 B8 B3 -1.8(3) . . . . ?
B6 B7 B8 B9 62.1(3) . . . . ?
B6 B7 B8 B12 100.2(2) . . . . ?
B6 B7 B11 B5 -38.0(2) . . . . ?
B6 B7 B11 B10 -100.5(3) . . . . ?
B6 B7 B11 B12 -137.7(3) . . . . ?
B6 B7 B12 B8 -101.1(3) . . . . ?
B6 B7 B12 B9 -64.0(3) . . . . ?
B6 B7 B12 B10 -0.3(3) . . . . ?
B6 B7 B12 B11 37.3(2) . . . . ?
B6 B11 B12 B7 -38.2(2) . . . . ?
B6 B11 B12 B8 -0.9(3) . . . . ?
B6 B11 B12 B9 62.1(3) . . . . ?
B6 B11 B12 B10 99.6(3) . . . . ?
C6 C5 B7 C2 178.9(3) . . . . ?
C6 C5 B7 B6 -119.7(4) . . . . ?
C6 C5 B7 B8 118.2(4) . . . . ?
C6 C5 B7 B11 -51.6(6) . . . . ?
C6 C5 B7 B12 49.9(6) . . . . ?
C6 C7 C8 C9 -0.5(5) . . . . ?
B7 C2 B3 C1 -101.9(2) . . . . ?
B7 C2 B3 B4 -66.9(3) . . . . ?
B7 C2 B3 B8 35.7(2) . . . . ?
B7 C2 B3 B9 -4.2(3) . . . . ?
B7 C2 C3 C4 -2.9(3) . . . . ?
B7 C2 C3 C12 179.6(3) . . . . ?
B7 C2 B6 C1 139.0(2) . . . . ?
B7 C2 B6 B5 101.6(2) . . . . ?
B7 C2 B6 B11 39.2(2) . . . . ?
B7 C2 B8 B3 -143.2(2) . . . . ?
B7 C2 B8 B9 -103.5(3) . . . . ?
B7 C2 B8 B12 -39.8(2) . . . . ?
B7 C5 C6 C7 -178.4(3) . . . . ?
B7 B6 B11 B5 137.2(3) . . . . ?
B7 B6 B11 B10 100.5(3) . . . . ?
B7 B6 B11 B12 37.7(2) . . . . ?
B7 B8 B9 B3 -100.6(2) . . . . ?
B7 B8 B9 B4 -62.2(3) . . . . ?
B7 B8 B9 B10 0.7(3) . . . . ?
B7 B8 B9 B12 37.8(2) . . . . ?
B7 B8 B12 B9 -138.2(2) . . . . ?
B7 B8 B12 B10 -100.6(3) . . . . ?
B7 B8 B12 B11 -37.0(2) . . . . ?
B7 B11 B12 B8 37.3(2) . . . . ?
B7 B11 B12 B9 100.3(2) . . . . ?
B7 B11 B12 B10 137.9(2) . . . . ?
C7 C8 C9 C4 0.3(5) . . . . ?
C7 C8 C9 C10 -177.9(3) . . . . ?
B8 C2 B3 C1 -137.5(2) . . . . ?
B8 C2 B3 B4 -102.6(2) . . . . ?
B8 C2 B3 B9 -39.9(2) . . . . ?
B8 C2 C3 C4 63.9(3) . . . . ?
B8 C2 C3 C12 -113.6(3) . . . . ?
B8 C2 B6 C1 101.7(2) . . . . ?
B8 C2 B6 B5 64.3(3) . . . . ?
B8 C2 B6 B7 -37.3(2) . . . . ?
B8 C2 B6 B11 1.9(3) . . . . ?
B8 C2 B7 C5 -109.3(2) . . . . ?
B8 C2 B7 B6 141.4(2) . . . . ?
B8 C2 B7 B11 102.4(3) . . . . ?
B8 C2 B7 B12 39.3(2) . . . . ?
B8 B3 B4 C1 -96.5(2) . . . . ?
B8 B3 B4 B5 -61.9(3) . . . . ?
B8 B3 B4 B9 38.3(2) . . . . ?
B8 B3 B4 B10 0.4(3) . . . . ?
B8 B3 B4 C15 172.9(2) . . . . ?
B8 B3 B9 B4 -137.2(3) . . . . ?
B8 B3 B9 B10 -99.5(3) . . . . ?
B8 B3 B9 B12 -36.8(2) . . . . ?
B8 B7 B11 B5 62.8(3) . . . . ?
B8 B7 B11 B6 100.8(3) . . . . ?
B8 B7 B11 B10 0.3(3) . . . . ?
B8 B7 B11 B12 -37.0(2) . . . . ?
B8 B7 B12 B9 37.1(2) . . . . ?
B8 B7 B12 B10 100.8(3) . . . . ?
B8 B7 B12 B11 138.4(2) . . . . ?
B8 B9 B10 B4 -100.9(2) . . . . ?
B8 B9 B10 B5 -63.4(3) . . . . ?
B8 B9 B10 B11 -0.5(3) . . . . ?
B8 B9 B10 B12 37.0(2) . . . . ?
B8 B9 B12 B7 -37.5(2) . . . . ?
B8 B9 B12 B10 -138.0(2) . . . . ?
B8 B9 B12 B11 -100.5(2) . . . . ?
C8 C9 C10 C11 179.0(3) . . . . ?
B9 B3 B4 C1 -134.8(3) . . . . ?
B9 B3 B4 B5 -100.2(3) . . . . ?
B9 B3 B4 B10 -37.9(2) . . . . ?
B9 B3 B4 C15 134.6(3) . . . . ?
B9 B3 B8 C2 134.6(3) . . . . ?
B9 B3 B8 B7 102.1(3) . . . . ?
B9 B3 B8 B12 38.1(2) . . . . ?
B9 B4 B5 C1 -97.3(2) . . . . ?
B9 B4 B5 B6 -65.0(3) . . . . ?
B9 B4 B5 B10 37.4(2) . . . . ?
B9 B4 B5 B11 -0.9(3) . . . . ?
B9 B4 B10 B5 -138.3(2) . . . . ?
B9 B4 B10 B11 -101.3(3) . . . . ?
B9 B4 B10 B12 -37.6(2) . . . . ?
B9 B4 C15 C14 126.6(4) . . . . ?
B9 B4 C15 C16 -53.5(6) . . . . ?
B9 B8 B12 B7 138.2(2) . . . . ?
B9 B8 B12 B10 37.7(2) . . . . ?
B9 B8 B12 B11 101.3(3) . . . . ?
B9 B10 B11 B5 -100.7(2) . . . . ?
B9 B10 B11 B6 -64.0(3) . . . . ?
B9 B10 B11 B7 0.2(3) . . . . ?
B9 B10 B11 B12 37.5(2) . . . . ?
B9 B10 B12 B7 -100.9(3) . . . . ?
B9 B10 B12 B8 -37.3(2) . . . . ?
B9 B10 B12 B11 -138.3(2) . . . . ?
C9 C4 C5 C6 -1.1(4) . . . . ?
C9 C4 C5 B7 178.4(3) . . . . ?
C9 C10 C11 C12 0.3(5) . . . . ?
B10 B4 B5 C1 -134.7(2) . . . . ?
B10 B4 B5 B6 -102.4(2) . . . . ?
B10 B4 B5 B11 -38.3(2) . . . . ?
B10 B4 B9 B3 137.7(3) . . . . ?
B10 B4 B9 B8 99.7(3) . . . . ?
B10 B4 B9 B12 37.2(2) . . . . ?
B10 B4 C15 C14 -131.3(4) . . . . ?
B10 B4 C15 C16 48.5(6) . . . . ?
B10 B5 B6 C1 -96.6(3) . . . . ?
B10 B5 B6 C2 -60.4(3) . . . . ?
B10 B5 B6 B7 0.0(3) . . . . ?
B10 B5 B6 B11 38.1(2) . . . . ?
B10 B5 B11 B6 -138.5(3) . . . . ?
B10 B5 B11 B7 -99.8(3) . . . . ?
B10 B5 B11 B12 -37.0(2) . . . . ?
B10 B9 B12 B7 100.5(3) . . . . ?
B10 B9 B12 B8 138.0(2) . . . . ?
B10 B9 B12 B11 37.5(2) . . . . ?
B10 B11 B12 B7 -137.9(2) . . . . ?
B10 B11 B12 B8 -100.6(3) . . . . ?
B10 B11 B12 B9 -37.6(2) . . . . ?
C10 C11 C12 C3 -0.9(4) . . . . ?
B11 B5 B6 C1 -134.6(3) . . . . ?
B11 B5 B6 C2 -98.5(2) . . . . ?
B11 B5 B6 B7 -38.1(2) . . . . ?
B11 B5 B10 B4 138.3(2) . . . . ?
B11 B5 B10 B9 101.1(3) . . . . ?
B11 B5 B10 B12 37.5(2) . . . . ?
B11 B6 B7 C2 -135.0(3) . . . . ?
B11 B6 B7 C5 134.9(3) . . . . ?
B11 B6 B7 B8 -100.8(3) . . . . ?
B11 B6 B7 B12 -38.0(2) . . . . ?
B11 B7 B8 C2 -97.1(2) . . . . ?
B11 B7 B8 B3 -64.5(3) . . . . ?
B11 B7 B8 B9 -0.6(3) . . . . ?
B11 B7 B8 B12 37.6(2) . . . . ?
B11 B7 B12 B8 -138.4(2) . . . . ?
B11 B7 B12 B9 -101.4(3) . . . . ?
B11 B7 B12 B10 -37.6(2) . . . . ?
B11 B10 B12 B7 37.4(2) . . . . ?
B11 B10 B12 B8 101.0(3) . . . . ?
B11 B10 B12 B9 138.3(2) . . . . ?
B12 B7 B8 C2 -134.7(2) . . . . ?
B12 B7 B8 B3 -102.1(2) . . . . ?
B12 B7 B8 B9 -38.2(2) . . . . ?
B12 B7 B11 B5 99.7(3) . . . . ?
B12 B7 B11 B6 137.7(3) . . . . ?
B12 B7 B11 B10 37.2(2) . . . . ?
B12 B8 B9 B3 -138.3(3) . . . . ?
B12 B8 B9 B4 -99.9(3) . . . . ?
B12 B8 B9 B10 -37.0(2) . . . . ?
B12 B9 B10 B4 -137.9(2) . . . . ?
B12 B9 B10 B5 -100.4(3) . . . . ?
B12 B9 B10 B11 -37.5(2) . . . . ?
B12 B10 B11 B5 -138.2(2) . . . . ?
B12 B10 B11 B6 -101.4(2) . . . . ?
B12 B10 B11 B7 -37.3(2) . . . . ?
C12 C3 C4 C5 -179.4(3) . . . . ?
C12 C3 C4 C9 0.9(4) . . . . ?
C13 C1 C2 B3 94.9(3) . . . . ?
C13 C1 C2 C3 -23.9(5) . . . . ?
C13 C1 C2 B6 -119.1(3) . . . . ?
C13 C1 C2 B7 -157.7(3) . . . . ?
C13 C1 C2 B8 134.6(3) . . . . ?
C13 C1 B3 C2 -124.0(2) . . . . ?
C13 C1 B3 B4 97.0(2) . . . . ?
C13 C1 B3 B8 -160.9(2) . . . . ?
C13 C1 B3 B9 136.7(2) . . . . ?
C13 C1 B4 B3 -106.7(2) . . . . ?
C13 C1 B4 B5 112.4(2) . . . . ?
C13 C1 B4 B9 -145.9(2) . . . . ?
C13 C1 B4 B10 151.4(2) . . . . ?
C13 C1 B4 C15 1.2(3) . . . . ?
C13 C1 B5 B4 -94.8(3) . . . . ?
C13 C1 B5 B6 121.6(3) . . . . ?
C13 C1 B5 B10 -134.7(3) . . . . ?
C13 C1 B5 B11 161.5(2) . . . . ?
C13 C1 B6 C2 120.1(3) . . . . ?
C13 C1 B6 B5 -102.8(3) . . . . ?
C13 C1 B6 B7 155.0(3) . . . . ?
C13 C1 B6 B11 -142.7(3) . . . . ?
C13 C14 C15 B4 1.1(3) . . . . ?
C13 C14 C15 C16 -178.8(3) . . . . ?
C13 C14 C19 C18 178.9(3) . . . . ?
C13 C14 C19 C20 -0.4(4) . . . . ?
C14 C13 C22 C21 1.9(4) . . . . ?
C14 C15 C16 C17 -0.1(5) . . . . ?
C14 C19 C20 C21 0.5(4) . . . . ?
C15 B4 B5 C1 88.7(2) . . . . ?
C15 B4 B5 B6 121.0(3) . . . . ?
C15 B4 B5 B10 -136.6(3) . . . . ?
C15 B4 B5 B11 -174.9(2) . . . . ?
C15 B4 B9 B3 -87.3(4) . . . . ?
C15 B4 B9 B8 -125.4(4) . . . . ?
C15 B4 B9 B10 135.0(4) . . . . ?
C15 B4 B9 B12 172.1(3) . . . . ?
C15 B4 B10 B5 90.1(4) . . . . ?
C15 B4 B10 B9 -131.6(5) . . . . ?
C15 B4 B10 B11 127.1(4) . . . . ?
C15 B4 B10 B12 -169.2(4) . . . . ?
C15 C14 C19 C18 0.0(4) . . . . ?
C15 C14 C19 C20 -179.3(3) . . . . ?
C15 C16 C17 C18 -0.1(5) . . . . ?
C16 C17 C18 C19 0.3(5) . . . . ?
C17 C18 C19 C14 -0.2(5) . . . . ?
C17 C18 C19 C20 179.0(3) . . . . ?
C18 C19 C20 C21 -178.7(3) . . . . ?
C19 C14 C15 B4 -179.9(3) . . . . ?
C19 C14 C15 C16 0.2(4) . . . . ?
C19 C20 C21 C22 0.5(5) . . . . ?
C20 C21 C22 C13 -1.7(4) . . . . ?
C22 C13 C14 C15 178.1(3) . . . . ?
C22 C13 C14 C19 -0.9(4) . . . . ?
C1A C2A B3A B4A 35.0(2) . . . . ?
C1A C2A B3A B8A 137.3(2) . . . . ?
C1A C2A B3A B9A 97.2(2) . . . . ?
C1A C2A C3A C4A -138.0(3) . . . . ?
C1A C2A C3A C12A 43.0(5) . . . . ?
C1A C2A B6A B5A -37.3(2) . . . . ?
C1A C2A B6A B7A -139.3(2) . . . . ?
C1A C2A B6A B11A -99.8(3) . . . . ?
C1A C2A B7A C5A 146.8(2) . . . . ?
C1A C2A B7A B6A 37.3(2) . . . . ?
C1A C2A B7A B8A -103.5(3) . . . . ?
C1A C2A B7A B11A -2.0(3) . . . . ?
C1A C2A B7A B12A -64.5(3) . . . . ?
C1A C2A B8A B3A -40.2(2) . . . . ?
C1A C2A B8A B7A 103.3(2) . . . . ?
C1A C2A B8A B9A -0.3(3) . . . . ?
C1A C2A B8A B12A 63.7(3) . . . . ?
C1A B3A B4A B5A 34.4(2) . . . . ?
C1A B3A B4A B9A 134.9(3) . . . . ?
C1A B3A B4A B10A 96.9(2) . . . . ?
C1A B3A B4A C15A -90.7(3) . . . . ?
C1A B3A B8A C2A 36.0(2) . . . . ?
C1A B3A B8A B7A 3.9(3) . . . . ?
C1A B3A B8A B9A -98.5(2) . . . . ?
C1A B3A B8A B12A -60.2(3) . . . . ?
C1A B3A B9A B4A -38.4(2) . . . . ?
C1A B3A B9A B8A 99.0(2) . . . . ?
C1A B3A B9A B10A -0.4(3) . . . . ?
C1A B3A B9A B12A 62.3(3) . . . . ?
C1A B4A B5A B6A 32.4(2) . . . . ?
C1A B4A B5A B10A 134.7(2) . . . . ?
C1A B4A B5A B11A 96.4(2) . . . . ?
C1A B4A B9A B3A 39.2(2) . . . . ?
C1A B4A B9A B8A 1.4(3) . . . . ?
C1A B4A B9A B10A -98.4(3) . . . . ?
C1A B4A B9A B12A -60.9(3) . . . . ?
C1A B4A B10A B5A -38.9(2) . . . . ?
C1A B4A B10A B9A 99.3(2) . . . . ?
C1A B4A B10A B11A -1.8(3) . . . . ?
C1A B4A B10A B12A 61.3(3) . . . . ?
C1A B4A C15A C14A -1.8(3) . . . . ?
C1A B4A C15A C16A 176.8(3) . . . . ?
C1A B5A B6A C2A 36.01(19) . . . . ?
C1A B5A B6A B7A 96.6(2) . . . . ?
C1A B5A B6A B11A 134.3(2) . . . . ?
C1A B5A B10A B4A 38.9(2) . . . . ?
C1A B5A B10A B9A 1.7(3) . . . . ?
C1A B5A B10A B11A -99.1(2) . . . . ?
C1A B5A B10A B12A -62.0(3) . . . . ?
C1A B5A B11A B6A -39.2(2) . . . . ?
C1A B5A B11A B7A -1.2(3) . . . . ?
C1A B5A B11A B10A 99.2(2) . . . . ?
C1A B5A B11A B12A 62.0(3) . . . . ?
C1A B6A B7A C2A -34.4(2) . . . . ?
C1A B6A B7A C5A -124.6(3) . . . . ?
C1A B6A B7A B8A 0.3(3) . . . . ?
C1A B6A B7A B11A 100.3(3) . . . . ?
C1A B6A B7A B12A 62.7(3) . . . . ?
C1A B6A B11A B5A 40.1(2) . . . . ?
C1A B6A B11A B7A -97.7(2) . . . . ?
C1A B6A B11A B10A 3.3(3) . . . . ?
C1A B6A B11A B12A -59.9(3) . . . . ?
C1A C13A C14A C15A 0.7(3) . . . . ?
C1A C13A C14A C19A -178.3(2) . . . . ?
C1A C13A C22A C21A -179.2(3) . . . . ?
C2A C1A B3A B4A -139.1(2) . . . . ?
C2A C1A B3A B8A -37.3(2) . . . . ?
C2A C1A B3A B9A -99.8(3) . . . . ?
C2A C1A B4A B3A 37.5(2) . . . . ?
C2A C1A B4A B5A -103.6(2) . . . . ?
C2A C1A B4A B9A -1.6(3) . . . . ?
C2A C1A B4A B10A -64.4(3) . . . . ?
C2A C1A B4A C15A 145.5(2) . . . . ?
C2A C1A B5A B4A 103.3(2) . . . . ?
C2A C1A B5A B6A -40.1(2) . . . . ?
C2A C1A B5A B10A 63.6(3) . . . . ?
C2A C1A B5A B11A 0.0(3) . . . . ?
C2A C1A B6A B5A 137.4(2) . . . . ?
C2A C1A B6A B7A 34.8(2) . . . . ?
C2A C1A B6A B11A 97.2(2) . . . . ?
C2A C1A C13A C14A -135.8(3) . . . . ?
C2A C1A C13A C22A 45.2(5) . . . . ?
C2A B3A B4A C1A -34.5(2) . . . . ?
C2A B3A B4A B5A -0.1(3) . . . . ?
C2A B3A B4A B9A 100.4(3) . . . . ?
C2A B3A B4A B10A 62.4(3) . . . . ?
C2A B3A B4A C15A -125.2(2) . . . . ?
C2A B3A B8A B7A -32.1(2) . . . . ?
C2A B3A B8A B9A -134.5(2) . . . . ?
C2A B3A B8A B12A -96.2(2) . . . . ?
C2A B3A B9A B4A -97.6(2) . . . . ?
C2A B3A B9A B8A 39.8(2) . . . . ?
C2A B3A B9A B10A -59.6(3) . . . . ?
C2A B3A B9A B12A 3.2(3) . . . . ?
C2A C3A C4A C5A 2.8(3) . . . . ?
C2A C3A C4A C9A -178.1(3) . . . . ?
C2A C3A C12A C11A 179.8(3) . . . . ?
C2A B6A B7A C5A -90.1(3) . . . . ?
C2A B6A B7A B8A 34.7(2) . . . . ?
C2A B6A B7A B11A 134.7(3) . . . . ?
C2A B6A B7A B12A 97.1(2) . . . . ?
C2A B6A B11A B5A 99.4(2) . . . . ?
C2A B6A B11A B7A -38.4(2) . . . . ?
C2A B6A B11A B10A 62.6(3) . . . . ?
C2A B6A B11A B12A -0.6(3) . . . . ?
C2A B7A B8A B3A 32.3(2) . . . . ?
C2A B7A B8A B9A 96.4(2) . . . . ?
C2A B7A B8A B12A 134.8(2) . . . . ?
C2A B7A B11A B5A 2.0(3) . . . . ?
C2A B7A B11A B6A 39.4(2) . . . . ?
C2A B7A B11A B10A -60.9(3) . . . . ?
C2A B7A B11A B12A -98.3(2) . . . . ?
C2A B7A B12A B8A -38.9(2) . . . . ?
C2A B7A B12A B9A -1.8(3) . . . . ?
C2A B7A B12A B10A 61.8(3) . . . . ?
C2A B7A B12A B11A 99.5(2) . . . . ?
C2A B8A B9A B3A -39.2(2) . . . . ?
C2A B8A B9A B4A -0.7(3) . . . . ?
C2A B8A B9A B10A 62.5(3) . . . . ?
C2A B8A B9A B12A 99.1(2) . . . . ?
C2A B8A B12A B7A 38.7(2) . . . . ?
C2A B8A B12A B9A -99.5(2) . . . . ?
C2A B8A B12A B10A -62.5(3) . . . . ?
C2A B8A B12A B11A 1.4(3) . . . . ?
B3A C1A C2A C3A -119.9(3) . . . . ?
B3A C1A C2A B6A 145.7(2) . . . . ?
B3A C1A C2A B7A 107.4(2) . . . . ?
B3A C1A C2A B8A 39.7(2) . . . . ?
B3A C1A B4A B5A -141.0(2) . . . . ?
B3A C1A B4A B9A -39.1(2) . . . . ?
B3A C1A B4A B10A -101.9(2) . . . . ?
B3A C1A B4A C15A 108.0(2) . . . . ?
B3A C1A B5A B4A 37.6(2) . . . . ?
B3A C1A B5A B6A -105.8(2) . . . . ?
B3A C1A B5A B10A -2.1(3) . . . . ?
B3A C1A B5A B11A -65.7(3) . . . . ?
B3A C1A B6A C2A -32.5(2) . . . . ?
B3A C1A B6A B5A 104.9(3) . . . . ?
B3A C1A B6A B7A 2.3(3) . . . . ?
B3A C1A B6A B11A 64.7(3) . . . . ?
B3A C1A C13A C14A -67.8(3) . . . . ?
B3A C1A C13A C22A 113.3(3) . . . . ?
B3A C2A C3A C4A 137.4(3) . . . . ?
B3A C2A C3A C12A -41.6(4) . . . . ?
B3A C2A B6A C1A 33.3(2) . . . . ?
B3A C2A B6A B5A -4.0(3) . . . . ?
B3A C2A B6A B7A -105.9(3) . . . . ?
B3A C2A B6A B11A -66.5(3) . . . . ?
B3A C2A B7A C5A -144.6(2) . . . . ?
B3A C2A B7A B6A 105.9(2) . . . . ?
B3A C2A B7A B8A -35.0(2) . . . . ?
B3A C2A B7A B11A 66.6(3) . . . . ?
B3A C2A B7A B12A 4.1(3) . . . . ?
B3A C2A B8A B7A 143.6(2) . . . . ?
B3A C2A B8A B9A 40.0(2) . . . . ?
B3A C2A B8A B12A 103.9(3) . . . . ?
B3A B4A B5A C1A -34.7(2) . . . . ?
B3A B4A B5A B6A -2.3(3) . . . . ?
B3A B4A B5A B10A 100.0(2) . . . . ?
B3A B4A B5A B11A 61.8(3) . . . . ?
B3A B4A B9A B8A -37.8(2) . . . . ?
B3A B4A B9A B10A -137.6(3) . . . . ?
B3A B4A B9A B12A -100.1(3) . . . . ?
B3A B4A B10A B5A -100.8(3) . . . . ?
B3A B4A B10A B9A 37.4(2) . . . . ?
B3A B4A B10A B11A -63.7(3) . . . . ?
B3A B4A B10A B12A -0.7(3) . . . . ?
B3A B4A C15A C14A 59.5(3) . . . . ?
B3A B4A C15A C16A -122.0(3) . . . . ?
B3A B8A B9A B4A 38.5(2) . . . . ?
B3A B8A B9A B10A 101.7(2) . . . . ?
B3A B8A B9A B12A 138.3(2) . . . . ?
B3A B8A B12A B7A 100.4(2) . . . . ?
B3A B8A B12A B9A -37.8(2) . . . . ?
B3A B8A B12A B10A -0.9(3) . . . . ?
B3A B8A B12A B11A 63.1(3) . . . . ?
B3A B9A B10A B4A -38.4(2) . . . . ?
B3A B9A B10A B5A -0.8(3) . . . . ?
B3A B9A B10A B11A 61.9(3) . . . . ?
B3A B9A B10A B12A 99.1(3) . . . . ?
B3A B9A B12A B7A -0.9(3) . . . . ?
B3A B9A B12A B8A 36.8(2) . . . . ?
B3A B9A B12A B10A -101.9(2) . . . . ?
B3A B9A B12A B11A -64.3(3) . . . . ?
C3A C2A B3A C1A 120.0(3) . . . . ?
C3A C2A B3A B4A 155.0(3) . . . . ?
C3A C2A B3A B8A -102.7(3) . . . . ?
C3A C2A B3A B9A -142.8(3) . . . . ?
C3A C2A B6A C1A -124.0(2) . . . . ?
C3A C2A B6A B5A -161.3(2) . . . . ?
C3A C2A B6A B7A 96.8(2) . . . . ?
C3A C2A B6A B11A 136.2(2) . . . . ?
C3A C2A B7A C5A 3.0(3) . . . . ?
C3A C2A B7A B6A -106.5(2) . . . . ?
C3A C2A B7A B8A 112.6(2) . . . . ?
C3A C2A B7A B11A -145.8(2) . . . . ?
C3A C2A B7A B12A 151.6(2) . . . . ?
C3A C2A B8A B3A 122.1(3) . . . . ?
C3A C2A B8A B7A -94.3(3) . . . . ?
C3A C2A B8A B9A 162.1(2) . . . . ?
C3A C2A B8A B12A -134.0(3) . . . . ?
C3A C4A C5A C6A 180.0(3) . . . . ?
C3A C4A C5A B7A -0.6(3) . . . . ?
C3A C4A C9A C8A 179.8(3) . . . . ?
C3A C4A C9A C10A -1.7(4) . . . . ?
B4A C1A C2A B3A -38.4(2) . . . . ?
B4A C1A C2A C3A -158.3(3) . . . . ?
B4A C1A C2A B6A 107.3(3) . . . . ?
B4A C1A C2A B7A 69.0(3) . . . . ?
B4A C1A C2A B8A 1.2(3) . . . . ?
B4A C1A B3A C2A 139.1(2) . . . . ?
B4A C1A B3A B8A 101.8(2) . . . . ?
B4A C1A B3A B9A 39.3(2) . . . . ?
B4A C1A B5A B6A -143.4(2) . . . . ?
B4A C1A B5A B10A -39.7(2) . . . . ?
B4A C1A B5A B11A -103.3(2) . . . . ?
B4A C1A B6A C2A -101.9(2) . . . . ?
B4A C1A B6A B5A 35.5(2) . . . . ?
B4A C1A B6A B7A -67.1(3) . . . . ?
B4A C1A B6A B11A -4.8(3) . . . . ?
B4A C1A C13A C14A -1.7(3) . . . . ?
B4A C1A C13A C22A 179.3(3) . . . . ?
B4A B3A B8A C2A 96.6(2) . . . . ?
B4A B3A B8A B7A 64.5(3) . . . . ?
B4A B3A B8A B9A -37.9(2) . . . . ?
B4A B3A B8A B12A 0.5(3) . . . . ?
B4A B3A B9A B8A 137.4(2) . . . . ?
B4A B3A B9A B10A 38.0(2) . . . . ?
B4A B3A B9A B12A 100.8(3) . . . . ?
B4A B5A B6A C1A -32.3(2) . . . . ?
B4A B5A B6A C2A 3.7(3) . . . . ?
B4A B5A B6A B7A 64.2(3) . . . . ?
B4A B5A B6A B11A 101.9(3) . . . . ?
B4A B5A B10A B9A -37.2(2) . . . . ?
B4A B5A B10A B11A -138.0(2) . . . . ?
B4A B5A B10A B12A -101.0(3) . . . . ?
B4A B5A B11A B6A -100.6(2) . . . . ?
B4A B5A B11A B7A -62.6(3) . . . . ?
B4A B5A B11A B10A 37.8(2) . . . . ?
B4A B5A B11A B12A 0.7(3) . . . . ?
B4A B9A B10A B5A 37.6(2) . . . . ?
B4A B9A B10A B11A 100.3(3) . . . . ?
B4A B9A B10A B12A 137.6(2) . . . . ?
B4A B9A B12A B7A 63.3(3) . . . . ?
B4A B9A B12A B8A 100.9(2) . . . . ?
B4A B9A B12A B10A -37.7(2) . . . . ?
B4A B9A B12A B11A -0.1(3) . . . . ?
B4A B10A B11A B5A -37.7(2) . . . . ?
B4A B10A B11A B6A -0.9(3) . . . . ?
B4A B10A B11A B7A 63.0(3) . . . . ?
B4A B10A B11A B12A 100.5(3) . . . . ?
B4A B10A B12A B7A -63.2(3) . . . . ?
B4A B10A B12A B8A 0.9(3) . . . . ?
B4A B10A B12A B9A 37.6(2) . . . . ?
B4A B10A B12A B11A -100.7(3) . . . . ?
B4A C15A C16A C17A -178.2(3) . . . . ?
C4A C3A C12A C11A 0.9(4) . . . . ?
C4A C5A C6A C7A -0.3(5) . . . . ?
C4A C5A B7A C2A -1.5(3) . . . . ?
C4A C5A B7A B6A 60.1(3) . . . . ?
C4A C5A B7A B8A -62.3(3) . . . . ?
C4A C5A B7A B11A 128.6(4) . . . . ?
C4A C5A B7A B12A -130.6(4) . . . . ?
C4A C9A C10A C11A 0.4(5) . . . . ?
B5A C1A C2A B3A -106.1(2) . . . . ?
B5A C1A C2A C3A 134.0(3) . . . . ?
B5A C1A C2A B6A 39.6(2) . . . . ?
B5A C1A C2A B7A 1.3(3) . . . . ?
B5A C1A C2A B8A -66.5(3) . . . . ?
B5A C1A B3A C2A 101.5(2) . . . . ?
B5A C1A B3A B4A -37.6(2) . . . . ?
B5A C1A B3A B8A 64.1(3) . . . . ?
B5A C1A B3A B9A 1.6(3) . . . . ?
B5A C1A B4A B3A 141.0(2) . . . . ?
B5A C1A B4A B9A 101.9(3) . . . . ?
B5A C1A B4A B10A 39.2(2) . . . . ?
B5A C1A B4A C15A -111.0(2) . . . . ?
B5A C1A B6A C2A -137.4(2) . . . . ?
B5A C1A B6A B7A -102.6(2) . . . . ?
B5A C1A B6A B11A -40.2(2) . . . . ?
B5A C1A C13A C14A 65.1(3) . . . . ?
B5A C1A C13A C22A -113.9(3) . . . . ?
B5A B4A B9A B3A 100.6(3) . . . . ?
B5A B4A B9A B8A 62.8(3) . . . . ?
B5A B4A B9A B10A -37.0(2) . . . . ?
B5A B4A B9A B12A 0.5(3) . . . . ?
B5A B4A B10A B9A 138.2(3) . . . . ?
B5A B4A B10A B11A 37.1(2) . . . . ?
B5A B4A B10A B12A 100.2(3) . . . . ?
B5A B4A C15A C14A -62.4(3) . . . . ?
B5A B4A C15A C16A 116.2(4) . . . . ?
B5A B6A B7A C2A -97.0(2) . . . . ?
B5A B6A B7A C5A 172.9(2) . . . . ?
B5A B6A B7A B8A -62.3(3) . . . . ?
B5A B6A B7A B11A 37.8(2) . . . . ?
B5A B6A B7A B12A 0.1(3) . . . . ?
B5A B6A B11A B7A -137.8(2) . . . . ?
B5A B6A B11A B10A -36.8(2) . . . . ?
B5A B6A B11A B12A -100.0(3) . . . . ?
B5A B10A B11A B6A 36.8(2) . . . . ?
B5A B10A B11A B7A 100.7(2) . . . . ?
B5A B10A B11A B12A 138.2(2) . . . . ?
B5A B10A B12A B7A 0.6(3) . . . . ?
B5A B10A B12A B8A 64.7(3) . . . . ?
B5A B10A B12A B9A 101.4(3) . . . . ?
B5A B10A B12A B11A -36.9(2) . . . . ?
B5A B11A B12A B7A -100.9(2) . . . . ?
B5A B11A B12A B8A -63.3(3) . . . . ?
B5A B11A B12A B9A -0.3(3) . . . . ?
B5A B11A B12A B10A 37.1(2) . . . . ?
C5A C4A C9A C8A -1.2(4) . . . . ?
C5A C4A C9A C10A 177.3(3) . . . . ?
C5A C6A C7A C8A -0.1(6) . . . . ?
C5A B7A B8A C2A 89.8(3) . . . . ?
C5A B7A B8A B3A 122.1(3) . . . . ?
C5A B7A B8A B9A -173.8(2) . . . . ?
C5A B7A B8A B12A -135.4(3) . . . . ?
C5A B7A B11A B5A -126.9(4) . . . . ?
C5A B7A B11A B6A -89.5(4) . . . . ?
C5A B7A B11A B10A 170.2(3) . . . . ?
C5A B7A B11A B12A 132.8(4) . . . . ?
C5A B7A B12A B8A 89.2(4) . . . . ?
C5A B7A B12A B9A 126.4(4) . . . . ?
C5A B7A B12A B10A -170.1(4) . . . . ?
C5A B7A B12A B11A -132.4(4) . . . . ?
B6A C1A C2A B3A -145.7(2) . . . . ?
B6A C1A C2A C3A 94.4(3) . . . . ?
B6A C1A C2A B7A -38.3(2) . . . . ?
B6A C1A C2A B8A -106.0(2) . . . . ?
B6A C1A B3A C2A 33.3(2) . . . . ?
B6A C1A B3A B4A -105.8(3) . . . . ?
B6A C1A B3A B8A -4.0(3) . . . . ?
B6A C1A B3A B9A -66.5(3) . . . . ?
B6A C1A B4A B3A 106.0(2) . . . . ?
B6A C1A B4A B5A -35.0(2) . . . . ?
B6A C1A B4A B9A 66.9(3) . . . . ?
B6A C1A B4A B10A 4.1(3) . . . . ?
B6A C1A B4A C15A -146.0(2) . . . . ?
B6A C1A B5A B4A 143.4(2) . . . . ?
B6A C1A B5A B10A 103.7(3) . . . . ?
B6A C1A B5A B11A 40.1(2) . . . . ?
B6A C1A C13A C14A 139.4(3) . . . . ?
B6A C1A C13A C22A -39.6(5) . . . . ?
B6A C2A B3A C1A -32.4(2) . . . . ?
B6A C2A B3A B4A 2.5(3) . . . . ?
B6A C2A B3A B8A 104.8(2) . . . . ?
B6A C2A B3A B9A 64.7(3) . . . . ?
B6A C2A C3A C4A -69.5(3) . . . . ?
B6A C2A C3A C12A 111.4(3) . . . . ?
B6A C2A B7A C5A 109.5(2) . . . . ?
B6A C2A B7A B8A -140.8(2) . . . . ?
B6A C2A B7A B11A -39.3(2) . . . . ?
B6A C2A B7A B12A -101.8(3) . . . . ?
B6A C2A B8A B3A -105.8(2) . . . . ?
B6A C2A B8A B7A 37.7(2) . . . . ?
B6A C2A B8A B9A -65.9(3) . . . . ?
B6A C2A B8A B12A -1.9(3) . . . . ?
B6A B5A B10A B4A 100.4(2) . . . . ?
B6A B5A B10A B9A 63.2(3) . . . . ?
B6A B5A B10A B11A -37.6(2) . . . . ?
B6A B5A B10A B12A -0.6(3) . . . . ?
B6A B5A B11A B7A 38.0(2) . . . . ?
B6A B5A B11A B10A 138.5(2) . . . . ?
B6A B5A B11A B12A 101.3(3) . . . . ?
B6A B7A B8A C2A -35.0(2) . . . . ?
B6A B7A B8A B3A -2.7(3) . . . . ?
B6A B7A B8A B9A 61.4(3) . . . . ?
B6A B7A B8A B12A 99.8(3) . . . . ?
B6A B7A B11A B5A -37.5(2) . . . . ?
B6A B7A B11A B10A -100.4(3) . . . . ?
B6A B7A B11A B12A -137.7(3) . . . . ?
B6A B7A B12A B8A -101.1(3) . . . . ?
B6A B7A B12A B9A -64.0(3) . . . . ?
B6A B7A B12A B10A -0.5(3) . . . . ?
B6A B7A B12A B11A 37.3(2) . . . . ?
B6A B11A B12A B7A -38.1(2) . . . . ?
B6A B11A B12A B8A -0.5(3) . . . . ?
B6A B11A B12A B9A 62.5(3) . . . . ?
B6A B11A B12A B10A 99.9(3) . . . . ?
C6A C5A B7A C2A 177.7(3) . . . . ?
C6A C5A B7A B6A -120.7(4) . . . . ?
C6A C5A B7A B8A 116.9(4) . . . . ?
C6A C5A B7A B11A -52.2(6) . . . . ?
C6A C5A B7A B12A 48.6(6) . . . . ?
C6A C7A C8A C9A -0.2(6) . . . . ?
B7A C2A B3A C1A -101.8(2) . . . . ?
B7A C2A B3A B4A -66.8(3) . . . . ?
B7A C2A B3A B8A 35.4(2) . . . . ?
B7A C2A B3A B9A -4.7(3) . . . . ?
B7A C2A C3A C4A -3.5(3) . . . . ?
B7A C2A C3A C12A 177.5(3) . . . . ?
B7A C2A B6A C1A 139.3(2) . . . . ?
B7A C2A B6A B5A 101.9(3) . . . . ?
B7A C2A B6A B11A 39.4(2) . . . . ?
B7A C2A B8A B3A -143.6(2) . . . . ?
B7A C2A B8A B9A -103.6(3) . . . . ?
B7A C2A B8A B12A -39.6(2) . . . . ?
B7A C5A C6A C7A -179.4(3) . . . . ?
B7A B6A B11A B5A 137.8(2) . . . . ?
B7A B6A B11A B10A 101.0(3) . . . . ?
B7A B6A B11A B12A 37.8(2) . . . . ?
B7A B8A B9A B3A -100.4(2) . . . . ?
B7A B8A B9A B4A -61.9(3) . . . . ?
B7A B8A B9A B10A 1.3(3) . . . . ?
B7A B8A B9A B12A 37.8(2) . . . . ?
B7A B8A B12A B9A -138.2(2) . . . . ?
B7A B8A B12A B10A -101.2(3) . . . . ?
B7A B8A B12A B11A -37.3(2) . . . . ?
B7A B11A B12A B8A 37.6(2) . . . . ?
B7A B11A B12A B9A 100.6(3) . . . . ?
B7A B11A B12A B10A 138.0(2) . . . . ?
C7A C8A C9A C4A 0.8(5) . . . . ?
C7A C8A C9A C10A -177.6(4) . . . . ?
B8A C2A B3A C1A -137.3(2) . . . . ?
B8A C2A B3A B4A -102.3(2) . . . . ?
B8A C2A B3A B9A -40.1(2) . . . . ?
B8A C2A C3A C4A 63.5(3) . . . . ?
B8A C2A C3A C12A -115.6(3) . . . . ?
B8A C2A B6A C1A 101.4(3) . . . . ?
B8A C2A B6A B5A 64.1(3) . . . . ?
B8A C2A B6A B7A -37.8(2) . . . . ?
B8A C2A B6A B11A 1.6(3) . . . . ?
B8A C2A B7A C5A -109.7(2) . . . . ?
B8A C2A B7A B6A 140.8(2) . . . . ?
B8A C2A B7A B11A 101.5(3) . . . . ?
B8A C2A B7A B12A 39.0(2) . . . . ?
B8A B3A B4A C1A -96.8(2) . . . . ?
B8A B3A B4A B5A -62.4(3) . . . . ?
B8A B3A B4A B9A 38.1(2) . . . . ?
B8A B3A B4A B10A 0.1(3) . . . . ?
B8A B3A B4A C15A 172.5(2) . . . . ?
B8A B3A B9A B4A -137.4(2) . . . . ?
B8A B3A B9A B10A -99.4(3) . . . . ?
B8A B3A B9A B12A -36.6(2) . . . . ?
B8A B7A B11A B5A 63.6(3) . . . . ?
B8A B7A B11A B6A 101.1(3) . . . . ?
B8A B7A B11A B10A 0.7(3) . . . . ?
B8A B7A B11A B12A -36.7(2) . . . . ?
B8A B7A B12A B9A 37.1(2) . . . . ?
B8A B7A B12A B10A 100.7(3) . . . . ?
B8A B7A B12A B11A 138.4(2) . . . . ?
B8A B9A B10A B4A -101.2(2) . . . . ?
B8A B9A B10A B5A -63.5(3) . . . . ?
B8A B9A B10A B11A -0.8(3) . . . . ?
B8A B9A B10A B12A 36.4(2) . . . . ?
B8A B9A B12A B7A -37.7(2) . . . . ?
B8A B9A B12A B10A -138.6(2) . . . . ?
B8A B9A B12A B11A -101.1(3) . . . . ?
C8A C9A C10A C11A 178.8(3) . . . . ?
B9A B3A B4A C1A -134.9(3) . . . . ?
B9A B3A B4A B5A -100.5(3) . . . . ?
B9A B3A B4A B10A -38.0(2) . . . . ?
B9A B3A B4A C15A 134.4(3) . . . . ?
B9A B3A B8A C2A 134.5(2) . . . . ?
B9A B3A B8A B7A 102.4(3) . . . . ?
B9A B3A B8A B12A 38.3(2) . . . . ?
B9A B4A B5A C1A -97.2(2) . . . . ?
B9A B4A B5A B6A -64.8(3) . . . . ?
B9A B4A B5A B10A 37.5(2) . . . . ?
B9A B4A B5A B11A -0.7(3) . . . . ?
B9A B4A B10A B5A -138.2(3) . . . . ?
B9A B4A B10A B11A -101.1(3) . . . . ?
B9A B4A B10A B12A -38.0(2) . . . . ?
B9A B4A C15A C14A 126.3(4) . . . . ?
B9A B4A C15A C16A -55.1(5) . . . . ?
B9A B8A B12A B7A 138.2(2) . . . . ?
B9A B8A B12A B10A 37.0(2) . . . . ?
B9A B8A B12A B11A 100.9(3) . . . . ?
B9A B10A B11A B5A -100.7(2) . . . . ?
B9A B10A B11A B6A -63.9(3) . . . . ?
B9A B10A B11A B7A 0.1(3) . . . . ?
B9A B10A B11A B12A 37.5(2) . . . . ?
B9A B10A B12A B7A -100.8(3) . . . . ?
B9A B10A B12A B8A -36.7(2) . . . . ?
B9A B10A B12A B11A -138.3(2) . . . . ?
C9A C4A C5A C6A 1.0(4) . . . . ?
C9A C4A C5A B7A -179.7(3) . . . . ?
C9A C10A C11A C12A 1.6(5) . . . . ?
B10A B4A B5A C1A -134.7(2) . . . . ?
B10A B4A B5A B6A -102.3(3) . . . . ?
B10A B4A B5A B11A -38.3(2) . . . . ?
B10A B4A B9A B3A 137.6(3) . . . . ?
B10A B4A B9A B8A 99.8(3) . . . . ?
B10A B4A B9A B12A 37.5(2) . . . . ?
B10A B4A C15A C14A -132.1(4) . . . . ?
B10A B4A C15A C16A 46.5(6) . . . . ?
B10A B5A B6A C1A -96.3(2) . . . . ?
B10A B5A B6A C2A -60.3(3) . . . . ?
B10A B5A B6A B7A 0.3(3) . . . . ?
B10A B5A B6A B11A 38.0(2) . . . . ?
B10A B5A B11A B6A -138.5(2) . . . . ?
B10A B5A B11A B7A -100.5(3) . . . . ?
B10A B5A B11A B12A -37.2(2) . . . . ?
B10A B9A B12A B7A 101.0(3) . . . . ?
B10A B9A B12A B8A 138.6(2) . . . . ?
B10A B9A B12A B11A 37.6(2) . . . . ?
B10A B11A B12A B7A -138.0(2) . . . . ?
B10A B11A B12A B8A -100.4(3) . . . . ?
B10A B11A B12A B9A -37.4(2) . . . . ?
C10A C11A C12A C3A -2.2(4) . . . . ?
B11A B5A B6A C1A -134.3(2) . . . . ?
B11A B5A B6A C2A -98.3(2) . . . . ?
B11A B5A B6A B7A -37.7(2) . . . . ?
B11A B5A B10A B4A 138.0(2) . . . . ?
B11A B5A B10A B9A 100.8(3) . . . . ?
B11A B5A B10A B12A 37.1(2) . . . . ?
B11A B6A B7A C2A -134.7(3) . . . . ?
B11A B6A B7A C5A 135.1(3) . . . . ?
B11A B6A B7A B8A -100.1(3) . . . . ?
B11A B6A B7A B12A -37.7(2) . . . . ?
B11A B7A B8A C2A -97.6(2) . . . . ?
B11A B7A B8A B3A -65.3(3) . . . . ?
B11A B7A B8A B9A -1.2(3) . . . . ?
B11A B7A B8A B12A 37.2(2) . . . . ?
B11A B7A B12A B8A -138.4(2) . . . . ?
B11A B7A B12A B9A -101.3(3) . . . . ?
B11A B7A B12A B10A -37.8(2) . . . . ?
B11A B10A B12A B7A 37.5(2) . . . . ?
B11A B10A B12A B8A 101.6(3) . . . . ?
B11A B10A B12A B9A 138.3(2) . . . . ?
B12A B7A B8A C2A -134.8(2) . . . . ?
B12A B7A B8A B3A -102.5(3) . . . . ?
B12A B7A B8A B9A -38.4(2) . . . . ?
B12A B7A B11A B5A 100.3(3) . . . . ?
B12A B7A B11A B6A 137.7(3) . . . . ?
B12A B7A B11A B10A 37.4(2) . . . . ?
B12A B8A B9A B3A -138.3(2) . . . . ?
B12A B8A B9A B4A -99.8(3) . . . . ?
B12A B8A B9A B10A -36.6(2) . . . . ?
B12A B9A B10A B4A -137.6(2) . . . . ?
B12A B9A B10A B5A -99.9(3) . . . . ?
B12A B9A B10A B11A -37.2(2) . . . . ?
B12A B10A B11A B5A -138.2(2) . . . . ?
B12A B10A B11A B6A -101.4(3) . . . . ?
B12A B10A B11A B7A -37.4(2) . . . . ?
C12A C3A C4A C5A -178.0(3) . . . . ?
C12A C3A C4A C9A 1.1(4) . . . . ?
C13A C1A C2A B3A 93.7(3) . . . . ?
C13A C1A C2A C3A -26.2(5) . . . . ?
C13A C1A C2A B6A -120.6(3) . . . . ?
C13A C1A C2A B7A -158.9(3) . . . . ?
C13A C1A C2A B8A 133.3(3) . . . . ?
C13A C1A B3A C2A -124.0(2) . . . . ?
C13A C1A B3A B4A 96.9(2) . . . . ?
C13A C1A B3A B8A -161.3(2) . . . . ?
C13A C1A B3A B9A 136.1(3) . . . . ?
C13A C1A B4A B3A -105.9(2) . . . . ?
C13A C1A B4A B5A 113.1(2) . . . . ?
C13A C1A B4A B9A -145.0(2) . . . . ?
C13A C1A B4A B10A 152.3(2) . . . . ?
C13A C1A B4A C15A 2.1(3) . . . . ?
C13A C1A B5A B4A -93.9(3) . . . . ?
C13A C1A B5A B6A 122.7(3) . . . . ?
C13A C1A B5A B10A -133.6(3) . . . . ?
C13A C1A B5A B11A 162.8(2) . . . . ?
C13A C1A B6A C2A 119.6(3) . . . . ?
C13A C1A B6A B5A -103.0(3) . . . . ?
C13A C1A B6A B7A 154.4(3) . . . . ?
C13A C1A B6A B11A -143.2(3) . . . . ?
C13A C14A C15A B4A 0.9(3) . . . . ?
C13A C14A C15A C16A -178.0(3) . . . . ?
C13A C14A C19A C18A 177.7(2) . . . . ?
C13A C14A C19A C20A -2.8(4) . . . . ?
C14A C13A C22A C21A 1.9(4) . . . . ?
C14A C15A C16A C17A 0.3(4) . . . . ?
C14A C19A C20A C21A 2.1(4) . . . . ?
C15A B4A B5A C1A 88.9(3) . . . . ?
C15A B4A B5A B6A 121.3(3) . . . . ?
C15A B4A B5A B10A -136.4(3) . . . . ?
C15A B4A B5A B11A -174.7(2) . . . . ?
C15A B4A B9A B3A -87.8(4) . . . . ?
C15A B4A B9A B8A -125.5(4) . . . . ?
C15A B4A B9A B10A 134.6(4) . . . . ?
C15A B4A B9A B12A 172.2(3) . . . . ?
C15A B4A B10A B5A 90.4(4) . . . . ?
C15A B4A B10A B9A -131.4(4) . . . . ?
C15A B4A B10A B11A 127.6(4) . . . . ?
C15A B4A B10A B12A -169.4(4) . . . . ?
C15A C14A C19A C18A -1.3(4) . . . . ?
C15A C14A C19A C20A 178.3(3) . . . . ?
C15A C16A C17A C18A -1.3(5) . . . . ?
C16A C17A C18A C19A 1.0(5) . . . . ?
C17A C18A C19A C14A 0.3(4) . . . . ?
C17A C18A C19A C20A -179.3(3) . . . . ?
C18A C19A C20A C21A -178.3(3) . . . . ?
C19A C14A C15A B4A 179.8(3) . . . . ?
C19A C14A C15A C16A 1.0(4) . . . . ?
C19A C20A C21A C22A 0.5(4) . . . . ?
C20A C21A C22A C13A -2.6(4) . . . . ?
C22A C13A C14A C15A 179.8(3) . . . . ?
C22A C13A C14A C19A 0.8(4) . . . . ?
