# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2331150'
loop_
_audit_author_name
_audit_author_address
'Yijie Li'
;Baylor University
United States of America
;
_audit_update_record             
;
2024-02-09 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        1
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H35 B21'
_chemical_formula_weight         526.51

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'
B B 0.0013 0.0007 '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'

_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                   10.7014(7)
_cell_length_b                   11.5495(6)
_cell_length_c                   14.4626(9)
_cell_angle_alpha                96.020(2)
_cell_angle_beta                 109.788(2)
_cell_angle_gamma                111.822(2)
_cell_volume                     1505.99(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9011
_cell_measurement_theta_min      3.50
_cell_measurement_theta_max      30.59

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_F_000             544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.321
_exptl_crystal_size_min          0.282
_exptl_absorpt_coefficient_mu    0.055
_shelx_estimated_absorpt_T_min   0.974
_shelx_estimated_absorpt_T_max   0.985
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.931
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_process_details   SADabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            96399
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.253
_diffrn_reflns_theta_max         30.606
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             9245
_reflns_number_gt                8186
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0658P)²+0.3879P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'DIRECT METHODS'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9245
_refine_ls_number_parameters     508
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0431
_refine_ls_wR_factor_ref         0.1234
_refine_ls_wR_factor_gt          0.1180
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_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
C7 C 0.81446(11) 0.13762(9) 0.46937(7) 0.02688(19) Uani 1 1 d . . . . .
C6 C 0.83151(11) 0.14109(9) 0.37832(7) 0.02476(18) Uani 1 1 d . . . . .
C3 C 0.80086(9) 0.22955(8) 0.32860(6) 0.02017(16) Uani 1 1 d . . . . .
C4 C 0.75245(9) 0.31539(8) 0.36622(6) 0.01945(15) Uani 1 1 d . . . . .
B1 B 0.72524(10) 0.40032(9) 0.29290(7) 0.01728(16) Uani 1 1 d . . . . .
C5 C 0.68683(9) 0.51842(8) 0.31155(6) 0.01757(15) Uani 1 1 d . . . . .
C10 C 0.51562(9) 0.50707(8) 0.25100(6) 0.01870(15) Uani 1 1 d . . . . .
C11 C 0.40144(9) 0.38232(8) 0.17231(7) 0.01941(15) Uani 1 1 d . . . . .
C12 C 0.35945(11) 0.26496(9) 0.19731(7) 0.02815(19) Uani 1 1 d . . . . .
H38 H 0.4006 0.2626 0.2661 0.034 Uiso 1 1 calc R U . . .
C13 C 0.25725(12) 0.15061(9) 0.12202(8) 0.0318(2) Uani 1 1 d . . . . .
C14 C 0.19546(10) 0.15289(9) 0.02192(8) 0.02634(18) Uani 1 1 d . . . . .
C16 C 0.33841(11) 0.38391(9) 0.07117(7) 0.02695(19) Uani 1 1 d . . . . .
H16 H 0.3657 0.4635 0.0530 0.032 Uiso 1 1 calc R U . . .
C15 C 0.23583(11) 0.26965(10) -0.00317(7) 0.0294(2) Uani 1 1 d . . . . .
H15 H 0.1930 0.2717 -0.0719 0.035 Uiso 1 1 calc R U . . .
C1 C 0.76204(9) 0.35857(8) 0.20060(6) 0.01731(15) Uani 1 1 d . . . . .
C2 C 0.81573(9) 0.24617(8) 0.23151(7) 0.01958(15) Uani 1 1 d . . . . .
C8 C 0.76920(11) 0.22145(9) 0.50980(7) 0.02553(18) Uani 1 1 d . . . . .
C9 C 0.73858(10) 0.31000(9) 0.45910(7) 0.02322(17) Uani 1 1 d . . . . .
C22 C 0.80349(12) -0.02304(10) 0.66735(8) 0.0293(2) Uani 1 1 d . . . . .
C21 C 0.90249(12) 0.08821(11) 0.74575(8) 0.0321(2) Uani 1 1 d . . . . .
H31 H 1.0054 0.1129 0.7693 0.038 Uiso 1 1 calc R U . . .
C20 C 0.85188(12) 0.16349(10) 0.78986(8) 0.0311(2) Uani 1 1 d . . . . .
C19 C 0.70217(12) 0.12733(10) 0.75581(8) 0.0314(2) Uani 1 1 d . . . . .
C18 C 0.60280(12) 0.01600(10) 0.67757(8) 0.0315(2) Uani 1 1 d . . . . .
C17 C 0.65355(12) -0.05838(10) 0.63276(8) 0.02831(19) Uani 1 1 d . . . . .
B17 B 0.81722(11) 0.67223(9) 0.33350(8) 0.02057(17) Uani 1 1 d . . . . .
B12 B 0.65491(11) 0.59974(9) 0.21862(7) 0.01928(17) Uani 1 1 d . . . . .
B19 B 0.71585(12) 0.76067(9) 0.28485(8) 0.02341(19) Uani 1 1 d . . . . .
B20 B 0.60747(12) 0.76034(10) 0.35548(9) 0.0261(2) Uani 1 1 d . . . . .
B21 B 0.64027(12) 0.67066(10) 0.44621(8) 0.02503(19) Uani 1 1 d . . . . .
B18 B 0.78776(12) 0.77243(10) 0.41802(8) 0.02409(19) Uani 1 1 d . . . . .
B16 B 0.77040(11) 0.61750(9) 0.43294(7) 0.02158(18) Uani 1 1 d . . . . .
B15 B 0.57953(11) 0.51015(10) 0.37875(7) 0.02144(18) Uani 1 1 d . . . . .
B14 B 0.47797(12) 0.59761(10) 0.33087(8) 0.02459(19) Uani 1 1 d . . . . .
B13 B 0.52525(11) 0.65374(10) 0.23214(8) 0.02313(19) Uani 1 1 d . . . . .
B2 B 0.64757(11) 0.19858(9) 0.13082(7) 0.02088(17) Uani 1 1 d . . . . .
B8 B 0.68500(12) 0.18179(10) 0.02227(8) 0.02488(19) Uani 1 1 d . . . . .
B7 B 0.77130(13) 0.13028(10) 0.12825(8) 0.0254(2) Uani 1 1 d . . . . .
B6 B 0.95559(12) 0.25149(11) 0.19867(9) 0.0265(2) Uani 1 1 d . . . . .
B10 B 0.98546(12) 0.37973(11) 0.13682(9) 0.0261(2) Uani 1 1 d . . . . .
B9 B 0.81804(12) 0.33535(10) 0.02759(8) 0.02432(19) Uani 1 1 d . . . . .
B11 B 0.87507(13) 0.21403(11) 0.06312(9) 0.0272(2) Uani 1 1 d . . . . .
B4 B 0.86161(11) 0.44782(10) 0.14065(8) 0.02179(18) Uani 1 1 d . . . . .
H4 H 0.8898 0.5525 0.1452 0.026 Uiso 1 1 calc R U . . .
B5 B 0.94907(11) 0.39747(10) 0.24579(8) 0.02250(18) Uani 1 1 d . . . . .
B3 B 0.67798(11) 0.32684(10) 0.07065(7) 0.02093(17) Uani 1 1 d . . . . .
H2 H 0.5879(16) -0.1339(14) 0.5787(11) 0.036(4) Uiso 1 1 d . . . . .
H1 H 0.9203(16) 0.2408(14) 0.8446(11) 0.037(4) Uiso 1 1 d . . . . .
H3 H 0.1244(17) 0.0751(14) -0.0290(11) 0.040(4) Uiso 1 1 d . . . . .
H5 H 0.7566(15) 0.2174(13) 0.5718(11) 0.034(3) Uiso 1 1 d . . . . .
H34 H 0.7062(14) 0.3681(12) 0.4887(10) 0.026(3) Uiso 1 1 d . . . . .
H6 H 0.8175(15) 0.3668(13) -0.0418(11) 0.034(3) Uiso 1 1 d . . . . .
H9 H 0.5792(16) 0.8404(14) 0.3682(11) 0.041(4) Uiso 1 1 d . . . . .
H10 H 0.9187(15) 0.6808(13) 0.3297(10) 0.031(3) Uiso 1 1 d . . . . .
H7 H 0.3630(16) 0.5577(14) 0.3225(11) 0.035(3) Uiso 1 1 d . . . . .
H8 H 0.4386(15) 0.6506(13) 0.1628(11) 0.034(3) Uiso 1 1 d . . . . .
H12 H 0.9126(16) 0.1650(14) 0.0165(11) 0.037(4) Uiso 1 1 d . . . . .
H11 H 1.0951(17) 0.4390(15) 0.1397(12) 0.044(4) Uiso 1 1 d . . . . .
H13 H 0.7409(15) 0.0318(13) 0.1361(11) 0.034(3) Uiso 1 1 d . . . . .
H14 H 0.7593(16) 0.8396(14) 0.2502(11) 0.038(4) Uiso 1 1 d . . . . .
H33 H 0.6357(16) 0.6906(14) 0.5211(11) 0.037(4) Uiso 1 1 d . . . . .
H32 H 0.8798(15) 0.8601(13) 0.4744(10) 0.034(3) Uiso 1 1 d . . . . .
H17 H 0.4982(17) -0.0099(14) 0.6531(11) 0.039(4) Uiso 1 1 d . . . . .
H19 H 0.8394(16) -0.0773(14) 0.6367(11) 0.040(4) Uiso 1 1 d . . . . .
H18 H 0.6651(17) 0.1773(15) 0.7891(12) 0.044(4) Uiso 1 1 d . . . . .
H20 H 0.2327(18) 0.0702(15) 0.1395(12) 0.046(4) Uiso 1 1 d . . . . .
H23 H 0.5514(15) 0.1484(13) 0.1438(10) 0.029(3) Uiso 1 1 d . . . . .
H25 H 1.0165(15) 0.4595(13) 0.3226(10) 0.031(3) Uiso 1 1 d . . . . .
H21 H 0.5863(15) 0.3523(13) 0.0383(10) 0.034(3) Uiso 1 1 d . . . . .
H24 H 1.0392(17) 0.2270(15) 0.2481(12) 0.044(4) Uiso 1 1 d . . . . .
H22 H 0.5973(15) 0.1125(13) -0.0488(11) 0.034(3) Uiso 1 1 d . . . . .
H28 H 0.5298(14) 0.4195(12) 0.3986(10) 0.028(3) Uiso 1 1 d . . . . .
H27 H 0.8638(16) 0.0814(14) 0.3489(11) 0.035(3) Uiso 1 1 d . . . . .
H26 H 0.8364(17) 0.0768(15) 0.5057(12) 0.045(4) Uiso 1 1 d . . . . .
H29 H 0.8463(16) 0.5930(14) 0.4903(11) 0.038(4) Uiso 1 1 d . . . . .
H30 H 0.6500(14) 0.5595(12) 0.1460(10) 0.025(3) Uiso 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
C7 C8 1.3913(14) . ?
C7 C6 1.3919(14) . ?
C7 H26 0.970(16) . ?
C6 C3 1.3828(12) . ?
C6 H27 0.996(14) . ?
C3 C4 1.4165(12) . ?
C3 C2 1.4896(12) . ?
C4 C9 1.4058(12) . ?
C4 B1 1.5468(12) . ?
B1 C5 1.5865(12) . ?
B1 C1 1.5910(12) . ?
C5 C10 1.6888(12) . ?
C5 B17 1.7154(12) . ?
C5 B16 1.7164(13) . ?
C5 B15 1.7222(13) . ?
C5 B12 1.7314(12) . ?
C10 C11 1.5066(11) . ?
C10 B13 1.7148(13) . ?
C10 B14 1.7219(13) . ?
C10 B12 1.7259(13) . ?
C10 B15 1.7306(13) . ?
C11 C12 1.3891(12) . ?
C11 C16 1.3935(12) . ?
C12 C13 1.3944(13) . ?
C12 H38 0.9500 . ?
C13 C14 1.3808(14) . ?
C13 H20 0.953(16) . ?
C14 C15 1.3829(14) . ?
C14 H3 0.950(15) . ?
C16 C15 1.3888(13) . ?
C16 H16 0.9500 . ?
C15 H15 0.9500 . ?
C1 C2 1.6485(11) . ?
C1 B3 1.7152(12) . ?
C1 B4 1.7165(13) . ?
C1 B5 1.7376(13) . ?
C1 B2 1.7385(13) . ?
C2 B7 1.6955(13) . ?
C2 B6 1.6995(13) . ?
C2 B2 1.7273(13) . ?
C2 B5 1.7330(13) . ?
C8 C9 1.3909(12) . ?
C8 H5 0.954(14) . ?
C9 H34 0.983(13) . ?
C22 C17 1.3850(15) . ?
C22 C21 1.3885(15) . ?
C22 H19 0.987(15) . ?
C21 C20 1.3870(16) . ?
C21 H31 0.9500 . ?
C20 C19 1.3816(16) . ?
C20 H1 0.966(15) . ?
C19 C18 1.3886(14) . ?
C19 H18 0.981(16) . ?
C18 C17 1.3861(14) . ?
C18 H17 0.964(15) . ?
C17 H2 0.946(14) . ?
B17 B12 1.7752(14) . ?
B17 B16 1.7782(14) . ?
B17 B18 1.7801(14) . ?
B17 B19 1.7812(14) . ?
B17 H10 1.074(13) . ?
B12 B19 1.7607(14) . ?
B12 B13 1.7760(14) . ?
B12 H30 1.079(13) . ?
B19 B13 1.7730(15) . ?
B19 B18 1.7844(15) . ?
B19 B20 1.7856(16) . ?
B19 H14 1.112(15) . ?
B20 B13 1.7729(15) . ?
B20 B18 1.7753(15) . ?
B20 B21 1.7780(16) . ?
B20 B14 1.7802(15) . ?
B20 H9 1.091(15) . ?
B21 B15 1.7625(14) . ?
B21 B16 1.7735(14) . ?
B21 B14 1.7790(15) . ?
B21 B18 1.7877(16) . ?
B21 H33 1.105(14) . ?
B18 B16 1.7732(14) . ?
B18 H32 1.096(14) . ?
B16 B15 1.7757(14) . ?
B16 H29 1.091(15) . ?
B15 B14 1.7704(15) . ?
B15 H28 1.102(13) . ?
B14 B13 1.7761(16) . ?
B14 H7 1.098(14) . ?
B13 H8 1.097(14) . ?
B2 B8 1.7558(14) . ?
B2 B3 1.7781(14) . ?
B2 B7 1.7835(14) . ?
B2 H23 1.068(13) . ?
B8 B3 1.7847(14) . ?
B8 B7 1.7882(16) . ?
B8 B9 1.7883(15) . ?
B8 B11 1.7894(16) . ?
B8 H22 1.093(14) . ?
B7 B11 1.7768(16) . ?
B7 B6 1.7818(16) . ?
B7 H13 1.091(14) . ?
B6 B11 1.7816(16) . ?
B6 B5 1.7862(15) . ?
B6 B10 1.7932(16) . ?
B6 H24 1.090(16) . ?
B10 B5 1.7562(15) . ?
B10 B4 1.7870(15) . ?
B10 B9 1.7887(16) . ?
B10 B11 1.7980(16) . ?
B10 H11 1.100(15) . ?
B9 B4 1.7794(14) . ?
B9 B11 1.7816(15) . ?
B9 B3 1.7830(14) . ?
B9 H6 1.101(14) . ?
B11 H12 1.099(14) . ?
B4 B5 1.7756(14) . ?
B4 B3 1.7759(14) . ?
B4 H4 1.1200 . ?
B5 H25 1.084(14) . ?
B3 H21 1.096(14) . ?

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
C8 C7 C6 121.05(8) . . ?
C8 C7 H26 119.7(9) . . ?
C6 C7 H26 119.3(9) . . ?
C3 C6 C7 118.08(9) . . ?
C3 C6 H27 120.4(8) . . ?
C7 C6 H27 121.5(8) . . ?
C6 C3 C4 122.76(8) . . ?
C6 C3 C2 124.42(8) . . ?
C4 C3 C2 112.82(7) . . ?
C9 C4 C3 117.37(8) . . ?
C9 C4 B1 132.21(8) . . ?
C3 C4 B1 110.42(7) . . ?
C4 B1 C5 126.86(7) . . ?
C4 B1 C1 107.15(7) . . ?
C5 B1 C1 125.62(7) . . ?
B1 C5 C10 122.04(6) . . ?
B1 C5 B17 119.02(7) . . ?
C10 C5 B17 110.43(6) . . ?
B1 C5 B16 117.74(7) . . ?
C10 C5 B16 110.60(6) . . ?
B17 C5 B16 62.42(6) . . ?
B1 C5 B15 117.83(7) . . ?
C10 C5 B15 60.97(5) . . ?
B17 C5 B15 113.31(6) . . ?
B16 C5 B15 62.18(6) . . ?
B1 C5 B12 120.29(7) . . ?
C10 C5 B12 60.60(5) . . ?
B17 C5 B12 62.00(5) . . ?
B16 C5 B12 112.95(6) . . ?
B15 C5 B12 112.36(6) . . ?
C11 C10 C5 117.31(6) . . ?
C11 C10 B13 121.34(7) . . ?
C5 C10 B13 110.20(6) . . ?
C11 C10 B14 123.92(7) . . ?
C5 C10 B14 109.93(6) . . ?
B13 C10 B14 62.24(6) . . ?
C11 C10 B12 115.23(7) . . ?
C5 C10 B12 60.92(5) . . ?
B13 C10 B12 62.15(5) . . ?
B14 C10 B12 113.12(7) . . ?
C11 C10 B15 119.80(7) . . ?
C5 C10 B15 60.47(5) . . ?
B13 C10 B15 112.46(7) . . ?
B14 C10 B15 61.70(6) . . ?
B12 C10 B15 112.21(6) . . ?
C12 C11 C16 118.92(8) . . ?
C12 C11 C10 121.82(8) . . ?
C16 C11 C10 119.25(8) . . ?
C11 C12 C13 120.39(9) . . ?
C11 C12 H38 119.8 . . ?
C13 C12 H38 119.8 . . ?
C14 C13 C12 120.37(9) . . ?
C14 C13 H20 119.9(10) . . ?
C12 C13 H20 119.7(10) . . ?
C13 C14 C15 119.44(9) . . ?
C13 C14 H3 120.2(9) . . ?
C15 C14 H3 120.3(9) . . ?
C15 C16 C11 120.28(9) . . ?
C15 C16 H16 119.9 . . ?
C11 C16 H16 119.9 . . ?
C14 C15 C16 120.59(9) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
B1 C1 C2 102.99(6) . . ?
B1 C1 B3 134.76(7) . . ?
C2 C1 B3 110.15(6) . . ?
B1 C1 B4 131.73(7) . . ?
C2 C1 B4 110.23(6) . . ?
B3 C1 B4 62.33(6) . . ?
B1 C1 B5 109.12(6) . . ?
C2 C1 B5 61.50(5) . . ?
B3 C1 B5 113.41(7) . . ?
B4 C1 B5 61.86(6) . . ?
B1 C1 B2 112.93(7) . . ?
C2 C1 B2 61.26(5) . . ?
B3 C1 B2 61.97(5) . . ?
B4 C1 B2 113.46(6) . . ?
B5 C1 B2 114.09(6) . . ?
C3 C2 C1 106.58(6) . . ?
C3 C2 B7 128.29(7) . . ?
C1 C2 B7 112.62(7) . . ?
C3 C2 B6 128.10(7) . . ?
C1 C2 B6 112.57(7) . . ?
B7 C2 B6 63.32(6) . . ?
C3 C2 B2 112.51(7) . . ?
C1 C2 B2 61.94(5) . . ?
B7 C2 B2 62.80(6) . . ?
B6 C2 B2 115.38(7) . . ?
C3 C2 B5 112.49(7) . . ?
C1 C2 B5 61.78(5) . . ?
B7 C2 B5 115.17(7) . . ?
B6 C2 B5 62.70(6) . . ?
B2 C2 B5 114.90(6) . . ?
C9 C8 C7 120.38(9) . . ?
C9 C8 H5 119.3(8) . . ?
C7 C8 H5 120.3(8) . . ?
C8 C9 C4 120.35(9) . . ?
C8 C9 H34 119.1(8) . . ?
C4 C9 H34 120.5(8) . . ?
C17 C22 C21 119.71(9) . . ?
C17 C22 H19 120.0(9) . . ?
C21 C22 H19 120.3(9) . . ?
C20 C21 C22 120.33(10) . . ?
C20 C21 H31 119.8 . . ?
C22 C21 H31 119.8 . . ?
C19 C20 C21 119.82(9) . . ?
C19 C20 H1 119.5(9) . . ?
C21 C20 H1 120.6(9) . . ?
C20 C19 C18 120.02(10) . . ?
C20 C19 H18 120.4(9) . . ?
C18 C19 H18 119.5(9) . . ?
C17 C18 C19 120.12(10) . . ?
C17 C18 H17 119.2(9) . . ?
C19 C18 H17 120.7(9) . . ?
C22 C17 C18 119.99(9) . . ?
C22 C17 H2 118.5(9) . . ?
C18 C17 H2 121.5(9) . . ?
C5 B17 B12 59.44(5) . . ?
C5 B17 B16 58.82(5) . . ?
B12 B17 B16 107.97(7) . . ?
C5 B17 B18 105.23(7) . . ?
B12 B17 B18 107.55(7) . . ?
B16 B17 B18 59.78(6) . . ?
C5 B17 B19 105.37(7) . . ?
B12 B17 B19 59.35(5) . . ?
B16 B17 B19 107.84(7) . . ?
B18 B17 B19 60.14(6) . . ?
C5 B17 H10 116.5(7) . . ?
B12 B17 H10 117.7(7) . . ?
B16 B17 H10 120.4(7) . . ?
B18 B17 H10 129.3(7) . . ?
B19 B17 H10 127.3(7) . . ?
C10 B12 C5 58.48(5) . . ?
C10 B12 B19 105.79(7) . . ?
C5 B12 B19 105.58(7) . . ?
C10 B12 B17 105.98(7) . . ?
C5 B12 B17 58.56(5) . . ?
B19 B12 B17 60.50(6) . . ?
C10 B12 B13 58.62(5) . . ?
C5 B12 B13 105.47(7) . . ?
B19 B12 B13 60.17(6) . . ?
B17 B12 B13 108.38(7) . . ?
C10 B12 H30 115.8(7) . . ?
C5 B12 H30 116.9(7) . . ?
B19 B12 H30 131.4(7) . . ?
B17 B12 H30 124.6(7) . . ?
B13 B12 H30 123.7(7) . . ?
B12 B19 B13 60.34(6) . . ?
B12 B19 B17 60.16(5) . . ?
B13 B19 B17 108.25(7) . . ?
B12 B19 B18 108.00(7) . . ?
B13 B19 B18 107.67(7) . . ?
B17 B19 B18 59.90(6) . . ?
B12 B19 B20 107.96(7) . . ?
B13 B19 B20 59.76(6) . . ?
B17 B19 B20 107.64(7) . . ?
B18 B19 B20 59.64(6) . . ?
B12 B19 H14 118.7(7) . . ?
B13 B19 H14 120.7(8) . . ?
B17 B19 H14 120.9(8) . . ?
B18 B19 H14 124.2(8) . . ?
B20 B19 H14 124.2(8) . . ?
B13 B20 B18 108.08(7) . . ?
B13 B20 B21 108.00(7) . . ?
B18 B20 B21 60.41(6) . . ?
B13 B20 B14 59.98(6) . . ?
B18 B20 B14 108.41(7) . . ?
B21 B20 B14 60.00(6) . . ?
B13 B20 B19 59.77(6) . . ?
B18 B20 B19 60.15(6) . . ?
B21 B20 B19 108.29(7) . . ?
B14 B20 B19 107.94(7) . . ?
B13 B20 H9 120.0(8) . . ?
B18 B20 H9 122.9(8) . . ?
B21 B20 H9 122.9(8) . . ?
B14 B20 H9 120.9(8) . . ?
B19 B20 H9 121.3(8) . . ?
B15 B21 B16 60.29(6) . . ?
B15 B21 B20 107.78(7) . . ?
B16 B21 B20 107.67(7) . . ?
B15 B21 B14 59.98(6) . . ?
B16 B21 B14 108.31(7) . . ?
B20 B21 B14 60.06(6) . . ?
B15 B21 B18 107.80(7) . . ?
B16 B21 B18 59.72(6) . . ?
B20 B21 B18 59.72(6) . . ?
B14 B21 B18 107.91(8) . . ?
B15 B21 H33 120.0(8) . . ?
B16 B21 H33 120.3(8) . . ?
B20 B21 H33 123.9(8) . . ?
B14 B21 H33 121.9(8) . . ?
B18 B21 H33 122.8(8) . . ?
B16 B18 B20 107.80(7) . . ?
B16 B18 B17 60.06(5) . . ?
B20 B18 B17 108.15(7) . . ?
B16 B18 B19 107.93(7) . . ?
B20 B18 B19 60.21(6) . . ?
B17 B18 B19 59.96(6) . . ?
B16 B18 B21 59.74(6) . . ?
B20 B18 B21 59.87(6) . . ?
B17 B18 B21 107.84(7) . . ?
B19 B18 B21 107.92(7) . . ?
B16 B18 H32 120.4(7) . . ?
B20 B18 H32 123.0(7) . . ?
B17 B18 H32 120.9(7) . . ?
B19 B18 H32 122.7(7) . . ?
B21 B18 H32 121.7(7) . . ?
C5 B16 B18 105.48(7) . . ?
C5 B16 B21 105.55(7) . . ?
B18 B16 B21 60.54(6) . . ?
C5 B16 B15 59.07(5) . . ?
B18 B16 B15 107.85(7) . . ?
B21 B16 B15 59.55(6) . . ?
C5 B16 B17 58.76(5) . . ?
B18 B16 B17 60.16(6) . . ?
B21 B16 B17 108.55(7) . . ?
B15 B16 B17 107.81(7) . . ?
C5 B16 H29 116.2(8) . . ?
B18 B16 H29 128.7(8) . . ?
B21 B16 H29 127.8(8) . . ?
B15 B16 H29 118.5(8) . . ?
B17 B16 H29 119.2(8) . . ?
C5 B15 C10 58.56(5) . . ?
C5 B15 B21 105.78(7) . . ?
C10 B15 B21 105.94(7) . . ?
C5 B15 B14 106.18(7) . . ?
C10 B15 B14 58.91(5) . . ?
B21 B15 B14 60.47(6) . . ?
C5 B15 B16 58.75(5) . . ?
C10 B15 B16 105.95(7) . . ?
B21 B15 B16 60.16(6) . . ?
B14 B15 B16 108.59(7) . . ?
C5 B15 H28 119.0(7) . . ?
C10 B15 H28 117.2(7) . . ?
B21 B15 H28 129.0(7) . . ?
B14 B15 H28 121.8(7) . . ?
B16 B15 H28 125.2(7) . . ?
C10 B14 B15 59.39(5) . . ?
C10 B14 B13 58.69(5) . . ?
B15 B14 B13 107.72(7) . . ?
C10 B14 B21 105.60(7) . . ?
B15 B14 B21 59.55(6) . . ?
B13 B14 B21 107.81(7) . . ?
C10 B14 B20 105.14(7) . . ?
B15 B14 B20 107.34(7) . . ?
B13 B14 B20 59.81(6) . . ?
B21 B14 B20 59.94(6) . . ?
C10 B14 H7 115.6(7) . . ?
B15 B14 H7 116.8(7) . . ?
B13 B14 H7 120.9(7) . . ?
B21 B14 H7 127.4(7) . . ?
B20 B14 H7 130.5(7) . . ?
C10 B13 B20 105.76(7) . . ?
C10 B13 B19 105.73(7) . . ?
B20 B13 B19 60.47(6) . . ?
C10 B13 B12 59.23(5) . . ?
B20 B13 B12 107.84(7) . . ?
B19 B13 B12 59.49(6) . . ?
C10 B13 B14 59.08(5) . . ?
B20 B13 B14 60.21(6) . . ?
B19 B13 B14 108.69(7) . . ?
B12 B13 B14 108.18(7) . . ?
C10 B13 H8 116.1(7) . . ?
B20 B13 H8 128.7(7) . . ?
B19 B13 H8 127.5(7) . . ?
B12 B13 H8 118.2(7) . . ?
B14 B13 H8 119.3(7) . . ?
C2 B2 C1 56.80(5) . . ?
C2 B2 B8 104.22(7) . . ?
C1 B2 B8 105.19(7) . . ?
C2 B2 B3 103.78(7) . . ?
C1 B2 B3 58.37(5) . . ?
B8 B2 B3 60.66(6) . . ?
C2 B2 B7 57.73(5) . . ?
C1 B2 B7 104.37(7) . . ?
B8 B2 B7 60.69(6) . . ?
B3 B2 B7 108.59(7) . . ?
C2 B2 H23 116.7(7) . . ?
C1 B2 H23 118.1(7) . . ?
B8 B2 H23 131.6(7) . . ?
B3 B2 H23 126.4(7) . . ?
B7 B2 H23 122.1(7) . . ?
B2 B8 B3 60.29(6) . . ?
B2 B8 B7 60.42(6) . . ?
B3 B8 B7 108.09(7) . . ?
B2 B8 B9 108.26(7) . . ?
B3 B8 B9 59.87(6) . . ?
B7 B8 B9 107.46(8) . . ?
B2 B8 B11 108.19(7) . . ?
B3 B8 B11 107.68(7) . . ?
B7 B8 B11 59.56(6) . . ?
B9 B8 B11 59.73(6) . . ?
B2 B8 H22 119.1(7) . . ?
B3 B8 H22 120.6(7) . . ?
B7 B8 H22 121.7(7) . . ?
B9 B8 H22 123.3(7) . . ?
B11 B8 H22 124.0(7) . . ?
C2 B7 B11 104.15(7) . . ?
C2 B7 B6 58.45(6) . . ?
B11 B7 B6 60.09(6) . . ?
C2 B7 B2 59.47(5) . . ?
B11 B7 B2 107.52(7) . . ?
B6 B7 B2 108.65(7) . . ?
C2 B7 B8 104.16(7) . . ?
B11 B7 B8 60.26(6) . . ?
B6 B7 B8 108.32(7) . . ?
B2 B7 B8 58.89(6) . . ?
C2 B7 H13 116.9(7) . . ?
B11 B7 H13 130.3(7) . . ?
B6 B7 H13 120.1(7) . . ?
B2 B7 H13 116.8(7) . . ?
B8 B7 H13 127.7(7) . . ?
C2 B6 B11 103.78(7) . . ?
C2 B6 B7 58.23(6) . . ?
B11 B6 B7 59.82(6) . . ?
C2 B6 B5 59.57(5) . . ?
B11 B6 B5 107.30(7) . . ?
B7 B6 B5 108.43(7) . . ?
C2 B6 B10 104.19(7) . . ?
B11 B6 B10 60.39(6) . . ?
B7 B6 B10 108.25(8) . . ?
B5 B6 B10 58.77(6) . . ?
C2 B6 H24 118.4(8) . . ?
B11 B6 H24 128.9(8) . . ?
B7 B6 H24 120.2(8) . . ?
B5 B6 H24 118.0(8) . . ?
B10 B6 H24 127.0(8) . . ?
B5 B10 B4 60.14(6) . . ?
B5 B10 B9 107.96(7) . . ?
B4 B10 B9 59.69(6) . . ?
B5 B10 B6 60.42(6) . . ?
B4 B10 B6 107.91(7) . . ?
B9 B10 B6 107.31(8) . . ?
B5 B10 B11 107.89(7) . . ?
B4 B10 B11 107.25(7) . . ?
B9 B10 B11 59.57(6) . . ?
B6 B10 B11 59.49(6) . . ?
B5 B10 H11 120.3(8) . . ?
B4 B10 H11 121.6(8) . . ?
B9 B10 H11 123.0(8) . . ?
B6 B10 H11 121.6(8) . . ?
B11 B10 H11 123.1(8) . . ?
B4 B9 B11 108.31(7) . . ?
B4 B9 B3 59.80(6) . . ?
B11 B9 B3 108.10(7) . . ?
B4 B9 B8 108.01(7) . . ?
B11 B9 B8 60.16(6) . . ?
B3 B9 B8 59.96(6) . . ?
B4 B9 B10 60.11(6) . . ?
B11 B9 B10 60.48(6) . . ?
B3 B9 B10 108.17(7) . . ?
B8 B9 B10 108.65(7) . . ?
B4 B9 H6 120.6(7) . . ?
B11 B9 H6 123.1(7) . . ?
B3 B9 H6 120.3(7) . . ?
B8 B9 H6 121.8(7) . . ?
B10 B9 H6 122.0(7) . . ?
B7 B11 B6 60.10(6) . . ?
B7 B11 B9 108.26(7) . . ?
B6 B11 B9 108.12(7) . . ?
B7 B11 B8 60.19(6) . . ?
B6 B11 B8 108.28(7) . . ?
B9 B11 B8 60.10(6) . . ?
B7 B11 B10 108.26(7) . . ?
B6 B11 B10 60.12(6) . . ?
B9 B11 B10 59.95(6) . . ?
B8 B11 B10 108.19(7) . . ?
B7 B11 H12 121.4(8) . . ?
B6 B11 H12 121.6(8) . . ?
B9 B11 H12 121.7(8) . . ?
B8 B11 H12 121.4(7) . . ?
B10 B11 H12 121.8(7) . . ?
C1 B4 B5 59.65(5) . . ?
C1 B4 B3 58.80(5) . . ?
B5 B4 B3 108.71(7) . . ?
C1 B4 B9 104.93(7) . . ?
B5 B4 B9 107.51(7) . . ?
B3 B4 B9 60.20(6) . . ?
C1 B4 B10 105.06(7) . . ?
B5 B4 B10 59.07(6) . . ?
B3 B4 B10 108.56(7) . . ?
B9 B4 B10 60.20(6) . . ?
C1 B4 H4 124.3 . . ?
B5 B4 H4 121.5 . . ?
B3 B4 H4 121.0 . . ?
B9 B4 H4 122.5 . . ?
B10 B4 H4 122.4 . . ?
C2 B5 C1 56.72(5) . . ?
C2 B5 B10 104.37(7) . . ?
C1 B5 B10 105.49(7) . . ?
C2 B5 B4 103.77(7) . . ?
C1 B5 B4 58.48(5) . . ?
B10 B5 B4 60.79(6) . . ?
C2 B5 B6 57.73(6) . . ?
C1 B5 B6 104.43(7) . . ?
B10 B5 B6 60.82(6) . . ?
B4 B5 B6 108.73(7) . . ?
C2 B5 H25 117.1(7) . . ?
C1 B5 H25 115.9(7) . . ?
B10 B5 H25 132.5(7) . . ?
B4 B5 H25 124.3(7) . . ?
B6 B5 H25 124.4(7) . . ?
C1 B3 B4 58.87(5) . . ?
C1 B3 B2 59.66(5) . . ?
B4 B3 B2 108.74(7) . . ?
C1 B3 B9 104.83(7) . . ?
B4 B3 B9 60.00(6) . . ?
B2 B3 B9 107.51(7) . . ?
C1 B3 B8 104.93(7) . . ?
B4 B3 B8 108.32(7) . . ?
B2 B3 B8 59.05(6) . . ?
B9 B3 B8 60.16(6) . . ?
C1 B3 H21 118.4(7) . . ?
B4 B3 H21 121.3(7) . . ?
B2 B3 H21 117.2(7) . . ?
B9 B3 H21 128.8(7) . . ?
B8 B3 H21 125.6(7) . . ?

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
C8 C7 C6 C3 -0.57(14) . . . . ?
C7 C6 C3 C4 -0.37(14) . . . . ?
C7 C6 C3 C2 179.13(8) . . . . ?
C6 C3 C4 C9 1.21(13) . . . . ?
C2 C3 C4 C9 -178.34(8) . . . . ?
C6 C3 C4 B1 -179.08(8) . . . . ?
C2 C3 C4 B1 1.37(10) . . . . ?
C9 C4 B1 C5 6.58(15) . . . . ?
C3 C4 B1 C5 -173.07(8) . . . . ?
C9 C4 B1 C1 179.81(9) . . . . ?
C3 C4 B1 C1 0.16(9) . . . . ?
C4 B1 C5 C10 -105.97(9) . . . . ?
C1 B1 C5 C10 82.00(10) . . . . ?
C4 B1 C5 B17 109.12(9) . . . . ?
C1 B1 C5 B17 -62.91(11) . . . . ?
C4 B1 C5 B16 36.97(12) . . . . ?
C1 B1 C5 B16 -135.06(8) . . . . ?
C4 B1 C5 B15 -34.45(12) . . . . ?
C1 B1 C5 B15 153.52(8) . . . . ?
C4 B1 C5 B12 -178.20(8) . . . . ?
C1 B1 C5 B12 9.76(12) . . . . ?
B1 C5 C10 C11 -4.11(11) . . . . ?
B17 C5 C10 C11 143.45(7) . . . . ?
B16 C5 C10 C11 -149.37(7) . . . . ?
B15 C5 C10 C11 -110.51(8) . . . . ?
B12 C5 C10 C11 105.18(8) . . . . ?
B1 C5 C10 B13 -148.56(7) . . . . ?
B17 C5 C10 B13 -1.00(9) . . . . ?
B16 C5 C10 B13 66.18(8) . . . . ?
B15 C5 C10 B13 105.03(7) . . . . ?
B12 C5 C10 B13 -39.28(6) . . . . ?
B1 C5 C10 B14 144.68(8) . . . . ?
B17 C5 C10 B14 -67.76(8) . . . . ?
B16 C5 C10 B14 -0.58(9) . . . . ?
B15 C5 C10 B14 38.28(7) . . . . ?
B12 C5 C10 B14 -106.03(7) . . . . ?
B1 C5 C10 B12 -109.28(8) . . . . ?
B17 C5 C10 B12 38.27(6) . . . . ?
B16 C5 C10 B12 105.45(7) . . . . ?
B15 C5 C10 B12 144.31(7) . . . . ?
B1 C5 C10 B15 106.41(8) . . . . ?
B17 C5 C10 B15 -106.04(7) . . . . ?
B16 C5 C10 B15 -38.86(6) . . . . ?
B12 C5 C10 B15 -144.31(7) . . . . ?
C5 C10 C11 C12 61.08(11) . . . . ?
B13 C10 C11 C12 -158.63(9) . . . . ?
B14 C10 C11 C12 -82.97(11) . . . . ?
B12 C10 C11 C12 129.89(9) . . . . ?
B15 C10 C11 C12 -8.83(12) . . . . ?
C5 C10 C11 C16 -117.44(9) . . . . ?
B13 C10 C11 C16 22.85(12) . . . . ?
B14 C10 C11 C16 98.51(10) . . . . ?
B12 C10 C11 C16 -48.63(11) . . . . ?
B15 C10 C11 C16 172.65(8) . . . . ?
C16 C11 C12 C13 0.79(15) . . . . ?
C10 C11 C12 C13 -177.74(9) . . . . ?
C11 C12 C13 C14 -0.67(17) . . . . ?
C12 C13 C14 C15 0.03(17) . . . . ?
C12 C11 C16 C15 -0.28(15) . . . . ?
C10 C11 C16 C15 178.29(9) . . . . ?
C13 C14 C15 C16 0.49(16) . . . . ?
C11 C16 C15 C14 -0.36(16) . . . . ?
C4 B1 C1 C2 -1.40(8) . . . . ?
C5 B1 C1 C2 171.94(7) . . . . ?
C4 B1 C1 B3 135.21(9) . . . . ?
C5 B1 C1 B3 -51.45(13) . . . . ?
C4 B1 C1 B4 -134.33(8) . . . . ?
C5 B1 C1 B4 39.01(13) . . . . ?
C4 B1 C1 B5 -65.40(8) . . . . ?
C5 B1 C1 B5 107.93(9) . . . . ?
C4 B1 C1 B2 62.61(8) . . . . ?
C5 B1 C1 B2 -124.05(8) . . . . ?
C6 C3 C2 C1 178.21(8) . . . . ?
C4 C3 C2 C1 -2.24(10) . . . . ?
C6 C3 C2 B7 39.93(14) . . . . ?
C4 C3 C2 B7 -140.52(9) . . . . ?
C6 C3 C2 B6 -43.86(14) . . . . ?
C4 C3 C2 B6 135.68(9) . . . . ?
C6 C3 C2 B2 112.28(9) . . . . ?
C4 C3 C2 B2 -68.17(9) . . . . ?
C6 C3 C2 B5 -116.04(9) . . . . ?
C4 C3 C2 B5 63.51(9) . . . . ?
B1 C1 C2 C3 2.15(8) . . . . ?
B3 C1 C2 C3 -146.54(7) . . . . ?
B4 C1 C2 C3 146.53(7) . . . . ?
B5 C1 C2 C3 107.05(7) . . . . ?
B2 C1 C2 C3 -107.10(7) . . . . ?
B1 C1 C2 B7 147.68(7) . . . . ?
B3 C1 C2 B7 -1.01(9) . . . . ?
B4 C1 C2 B7 -67.94(9) . . . . ?
B5 C1 C2 B7 -107.41(8) . . . . ?
B2 C1 C2 B7 38.43(7) . . . . ?
B1 C1 C2 B6 -143.03(7) . . . . ?
B3 C1 C2 B6 68.28(9) . . . . ?
B4 C1 C2 B6 1.35(9) . . . . ?
B5 C1 C2 B6 -38.12(7) . . . . ?
B2 C1 C2 B6 107.72(8) . . . . ?
B1 C1 C2 B2 109.24(7) . . . . ?
B3 C1 C2 B2 -39.44(6) . . . . ?
B4 C1 C2 B2 -106.37(7) . . . . ?
B5 C1 C2 B2 -145.85(7) . . . . ?
B1 C1 C2 B5 -104.91(7) . . . . ?
B3 C1 C2 B5 106.40(7) . . . . ?
B4 C1 C2 B5 39.48(7) . . . . ?
B2 C1 C2 B5 145.85(7) . . . . ?
C6 C7 C8 C9 0.63(15) . . . . ?
C7 C8 C9 C4 0.26(14) . . . . ?
C3 C4 C9 C8 -1.14(13) . . . . ?
B1 C4 C9 C8 179.23(9) . . . . ?
C17 C22 C21 C20 0.38(16) . . . . ?
C22 C21 C20 C19 0.22(16) . . . . ?
C21 C20 C19 C18 -0.08(16) . . . . ?
C20 C19 C18 C17 -0.65(17) . . . . ?
C21 C22 C17 C18 -1.11(16) . . . . ?
C19 C18 C17 C22 1.25(17) . . . . ?
B1 C5 B17 B12 110.99(8) . . . . ?
C10 C5 B17 B12 -37.67(6) . . . . ?
B16 C5 B17 B12 -140.91(7) . . . . ?
B15 C5 B17 B12 -103.89(7) . . . . ?
B1 C5 B17 B16 -108.10(8) . . . . ?
C10 C5 B17 B16 103.23(7) . . . . ?
B15 C5 B17 B16 37.02(7) . . . . ?
B12 C5 B17 B16 140.91(7) . . . . ?
B1 C5 B17 B18 -147.34(7) . . . . ?
C10 C5 B17 B18 63.99(8) . . . . ?
B16 C5 B17 B18 -39.24(6) . . . . ?
B15 C5 B17 B18 -2.22(9) . . . . ?
B12 C5 B17 B18 101.67(7) . . . . ?
B1 C5 B17 B19 150.07(7) . . . . ?
C10 C5 B17 B19 1.40(9) . . . . ?
B16 C5 B17 B19 -101.83(7) . . . . ?
B15 C5 B17 B19 -64.81(8) . . . . ?
B12 C5 B17 B19 39.07(6) . . . . ?
C11 C10 B12 C5 -108.56(7) . . . . ?
B13 C10 B12 C5 137.78(7) . . . . ?
B14 C10 B12 C5 100.76(7) . . . . ?
B15 C10 B12 C5 33.25(6) . . . . ?
C11 C10 B12 B19 152.58(7) . . . . ?
C5 C10 B12 B19 -98.86(7) . . . . ?
B13 C10 B12 B19 38.92(7) . . . . ?
B14 C10 B12 B19 1.90(9) . . . . ?
B15 C10 B12 B19 -65.61(8) . . . . ?
C11 C10 B12 B17 -144.25(7) . . . . ?
C5 C10 B12 B17 -35.69(6) . . . . ?
B13 C10 B12 B17 102.09(7) . . . . ?
B14 C10 B12 B17 65.07(8) . . . . ?
B15 C10 B12 B17 -2.44(8) . . . . ?
C11 C10 B12 B13 113.66(8) . . . . ?
C5 C10 B12 B13 -137.78(7) . . . . ?
B14 C10 B12 B13 -37.03(7) . . . . ?
B15 C10 B12 B13 -104.53(7) . . . . ?
B1 C5 B12 C10 112.09(8) . . . . ?
B17 C5 B12 C10 -138.90(7) . . . . ?
B16 C5 B12 C10 -101.53(7) . . . . ?
B15 C5 B12 C10 -33.47(6) . . . . ?
B1 C5 B12 B19 -148.68(7) . . . . ?
C10 C5 B12 B19 99.23(7) . . . . ?
B17 C5 B12 B19 -39.67(6) . . . . ?
B16 C5 B12 B19 -2.30(9) . . . . ?
B15 C5 B12 B19 65.76(8) . . . . ?
B1 C5 B12 B17 -109.01(8) . . . . ?
C10 C5 B12 B17 138.90(7) . . . . ?
B16 C5 B12 B17 37.37(7) . . . . ?
B15 C5 B12 B17 105.42(7) . . . . ?
B1 C5 B12 B13 148.62(7) . . . . ?
C10 C5 B12 B13 36.53(6) . . . . ?
B17 C5 B12 B13 -102.37(7) . . . . ?
B16 C5 B12 B13 -65.00(8) . . . . ?
B15 C5 B12 B13 3.05(9) . . . . ?
C5 B17 B12 C10 35.66(6) . . . . ?
B16 B17 B12 C10 1.11(8) . . . . ?
B18 B17 B12 C10 -61.99(8) . . . . ?
B19 B17 B12 C10 -99.39(7) . . . . ?
B16 B17 B12 C5 -34.55(6) . . . . ?
B18 B17 B12 C5 -97.65(7) . . . . ?
B19 B17 B12 C5 -135.05(7) . . . . ?
C5 B17 B12 B19 135.05(7) . . . . ?
B16 B17 B12 B19 100.50(7) . . . . ?
B18 B17 B12 B19 37.40(7) . . . . ?
C5 B17 B12 B13 97.26(7) . . . . ?
B16 B17 B12 B13 62.71(8) . . . . ?
B18 B17 B12 B13 -0.39(9) . . . . ?
B19 B17 B12 B13 -37.79(7) . . . . ?
C10 B12 B19 B13 -38.19(6) . . . . ?
C5 B12 B19 B13 -99.17(7) . . . . ?
B17 B12 B19 B13 -137.91(7) . . . . ?
C10 B12 B19 B17 99.72(7) . . . . ?
C5 B12 B19 B17 38.74(6) . . . . ?
B13 B12 B19 B17 137.91(7) . . . . ?
C10 B12 B19 B18 62.31(8) . . . . ?
C5 B12 B19 B18 1.34(9) . . . . ?
B17 B12 B19 B18 -37.40(7) . . . . ?
B13 B12 B19 B18 100.50(8) . . . . ?
C10 B12 B19 B20 -0.73(9) . . . . ?
C5 B12 B19 B20 -61.71(8) . . . . ?
B17 B12 B19 B20 -100.44(8) . . . . ?
B13 B12 B19 B20 37.46(7) . . . . ?
C5 B17 B19 B12 -39.12(6) . . . . ?
B16 B17 B19 B12 -100.72(7) . . . . ?
B18 B17 B19 B12 -138.11(7) . . . . ?
C5 B17 B19 B13 -1.29(9) . . . . ?
B12 B17 B19 B13 37.83(7) . . . . ?
B16 B17 B19 B13 -62.89(9) . . . . ?
B18 B17 B19 B13 -100.27(8) . . . . ?
C5 B17 B19 B18 98.99(7) . . . . ?
B12 B17 B19 B18 138.11(7) . . . . ?
B16 B17 B19 B18 37.39(7) . . . . ?
C5 B17 B19 B20 61.87(8) . . . . ?
B12 B17 B19 B20 100.99(8) . . . . ?
B16 B17 B19 B20 0.27(9) . . . . ?
B18 B17 B19 B20 -37.12(7) . . . . ?
B12 B19 B20 B13 -37.72(7) . . . . ?
B17 B19 B20 B13 -101.24(7) . . . . ?
B18 B19 B20 B13 -138.48(7) . . . . ?
B12 B19 B20 B18 100.76(7) . . . . ?
B13 B19 B20 B18 138.48(7) . . . . ?
B17 B19 B20 B18 37.23(7) . . . . ?
B12 B19 B20 B21 62.88(9) . . . . ?
B13 B19 B20 B21 100.60(8) . . . . ?
B17 B19 B20 B21 -0.64(9) . . . . ?
B18 B19 B20 B21 -37.87(7) . . . . ?
B12 B19 B20 B14 -0.60(10) . . . . ?
B13 B19 B20 B14 37.12(7) . . . . ?
B17 B19 B20 B14 -64.12(9) . . . . ?
B18 B19 B20 B14 -101.35(8) . . . . ?
B13 B20 B21 B15 0.37(10) . . . . ?
B18 B20 B21 B15 -100.62(8) . . . . ?
B14 B20 B21 B15 37.72(7) . . . . ?
B19 B20 B21 B15 -62.87(9) . . . . ?
B13 B20 B21 B16 64.01(9) . . . . ?
B18 B20 B21 B16 -36.99(7) . . . . ?
B14 B20 B21 B16 101.36(7) . . . . ?
B19 B20 B21 B16 0.77(9) . . . . ?
B13 B20 B21 B14 -37.35(7) . . . . ?
B18 B20 B21 B14 -138.35(7) . . . . ?
B19 B20 B21 B14 -100.59(8) . . . . ?
B13 B20 B21 B18 101.00(8) . . . . ?
B14 B20 B21 B18 138.35(7) . . . . ?
B19 B20 B21 B18 37.76(7) . . . . ?
B13 B20 B18 B16 -63.83(9) . . . . ?
B21 B20 B18 B16 37.03(7) . . . . ?
B14 B20 B18 B16 -0.31(10) . . . . ?
B19 B20 B18 B16 -100.88(7) . . . . ?
B13 B20 B18 B17 -0.34(10) . . . . ?
B21 B20 B18 B17 100.52(8) . . . . ?
B14 B20 B18 B17 63.18(9) . . . . ?
B19 B20 B18 B17 -37.39(7) . . . . ?
B13 B20 B18 B19 37.05(7) . . . . ?
B21 B20 B18 B19 137.91(7) . . . . ?
B14 B20 B18 B19 100.56(8) . . . . ?
B13 B20 B18 B21 -100.86(8) . . . . ?
B14 B20 B18 B21 -37.34(7) . . . . ?
B19 B20 B18 B21 -137.91(7) . . . . ?
C5 B17 B18 B16 38.78(6) . . . . ?
B12 B17 B18 B16 100.97(7) . . . . ?
B19 B17 B18 B16 138.02(7) . . . . ?
C5 B17 B18 B20 -61.74(9) . . . . ?
B12 B17 B18 B20 0.45(9) . . . . ?
B16 B17 B18 B20 -100.52(8) . . . . ?
B19 B17 B18 B20 37.50(7) . . . . ?
C5 B17 B18 B19 -99.24(7) . . . . ?
B12 B17 B18 B19 -37.05(6) . . . . ?
B16 B17 B18 B19 -138.02(7) . . . . ?
C5 B17 B18 B21 1.55(9) . . . . ?
B12 B17 B18 B21 63.74(9) . . . . ?
B16 B17 B18 B21 -37.23(7) . . . . ?
B19 B17 B18 B21 100.79(8) . . . . ?
B12 B19 B18 B16 -0.02(9) . . . . ?
B13 B19 B18 B16 63.72(9) . . . . ?
B17 B19 B18 B16 -37.53(7) . . . . ?
B20 B19 B18 B16 100.67(8) . . . . ?
B12 B19 B18 B20 -100.69(8) . . . . ?
B13 B19 B18 B20 -36.95(7) . . . . ?
B17 B19 B18 B20 -138.20(7) . . . . ?
B12 B19 B18 B17 37.52(7) . . . . ?
B13 B19 B18 B17 101.25(7) . . . . ?
B20 B19 B18 B17 138.20(7) . . . . ?
B12 B19 B18 B21 -63.14(9) . . . . ?
B13 B19 B18 B21 0.59(9) . . . . ?
B17 B19 B18 B21 -100.66(7) . . . . ?
B20 B19 B18 B21 37.54(7) . . . . ?
B15 B21 B18 B16 -37.80(7) . . . . ?
B20 B21 B18 B16 -138.41(7) . . . . ?
B14 B21 B18 B16 -101.16(7) . . . . ?
B15 B21 B18 B20 100.60(8) . . . . ?
B16 B21 B18 B20 138.41(7) . . . . ?
B14 B21 B18 B20 37.25(7) . . . . ?
B15 B21 B18 B17 -0.44(10) . . . . ?
B16 B21 B18 B17 37.37(7) . . . . ?
B20 B21 B18 B17 -101.04(8) . . . . ?
B14 B21 B18 B17 -63.79(9) . . . . ?
B15 B21 B18 B19 62.91(9) . . . . ?
B16 B21 B18 B19 100.71(7) . . . . ?
B20 B21 B18 B19 -37.69(7) . . . . ?
B14 B21 B18 B19 -0.45(9) . . . . ?
B1 C5 B16 B18 149.58(7) . . . . ?
C10 C5 B16 B18 -63.49(8) . . . . ?
B17 C5 B16 B18 39.48(6) . . . . ?
B15 C5 B16 B18 -101.82(7) . . . . ?
B12 C5 B16 B18 2.28(9) . . . . ?
B1 C5 B16 B21 -147.33(7) . . . . ?
C10 C5 B16 B21 -0.41(9) . . . . ?
B17 C5 B16 B21 102.56(7) . . . . ?
B15 C5 B16 B21 -38.74(7) . . . . ?
B12 C5 B16 B21 65.36(8) . . . . ?
B1 C5 B16 B15 -108.59(8) . . . . ?
C10 C5 B16 B15 38.33(6) . . . . ?
B17 C5 B16 B15 141.30(7) . . . . ?
B12 C5 B16 B15 104.10(7) . . . . ?
B1 C5 B16 B17 110.10(8) . . . . ?
C10 C5 B16 B17 -102.97(7) . . . . ?
B15 C5 B16 B17 -141.30(7) . . . . ?
B12 C5 B16 B17 -37.20(7) . . . . ?
B20 B18 B16 C5 62.29(9) . . . . ?
B17 B18 B16 C5 -38.81(6) . . . . ?
B19 B18 B16 C5 -1.32(9) . . . . ?
B21 B18 B16 C5 99.38(7) . . . . ?
B20 B18 B16 B21 -37.09(7) . . . . ?
B17 B18 B16 B21 -138.19(7) . . . . ?
B19 B18 B16 B21 -100.70(8) . . . . ?
B20 B18 B16 B15 0.40(9) . . . . ?
B17 B18 B16 B15 -100.70(7) . . . . ?
B19 B18 B16 B15 -63.21(9) . . . . ?
B21 B18 B16 B15 37.49(7) . . . . ?
B20 B18 B16 B17 101.10(8) . . . . ?
B19 B18 B16 B17 37.49(7) . . . . ?
B21 B18 B16 B17 138.19(7) . . . . ?
B15 B21 B16 C5 38.51(6) . . . . ?
B20 B21 B16 C5 -62.28(9) . . . . ?
B14 B21 B16 C5 1.21(9) . . . . ?
B18 B21 B16 C5 -99.27(7) . . . . ?
B15 B21 B16 B18 137.78(7) . . . . ?
B20 B21 B16 B18 36.99(7) . . . . ?
B14 B21 B16 B18 100.48(8) . . . . ?
B20 B21 B16 B15 -100.79(8) . . . . ?
B14 B21 B16 B15 -37.30(7) . . . . ?
B18 B21 B16 B15 -137.78(7) . . . . ?
B15 B21 B16 B17 100.19(7) . . . . ?
B20 B21 B16 B17 -0.60(9) . . . . ?
B14 B21 B16 B17 62.89(9) . . . . ?
B18 B21 B16 B17 -37.59(7) . . . . ?
B12 B17 B16 C5 34.81(6) . . . . ?
B18 B17 B16 C5 135.06(7) . . . . ?
B19 B17 B16 C5 97.51(7) . . . . ?
C5 B17 B16 B18 -135.06(7) . . . . ?
B12 B17 B16 B18 -100.25(7) . . . . ?
B19 B17 B16 B18 -37.55(7) . . . . ?
C5 B17 B16 B21 -97.30(7) . . . . ?
B12 B17 B16 B21 -62.49(8) . . . . ?
B18 B17 B16 B21 37.76(7) . . . . ?
B19 B17 B16 B21 0.21(9) . . . . ?
C5 B17 B16 B15 -34.28(6) . . . . ?
B12 B17 B16 B15 0.53(9) . . . . ?
B18 B17 B16 B15 100.78(7) . . . . ?
B19 B17 B16 B15 63.23(8) . . . . ?
B1 C5 B15 C10 -113.15(8) . . . . ?
B17 C5 B15 C10 101.28(7) . . . . ?
B16 C5 B15 C10 138.39(7) . . . . ?
B12 C5 B15 C10 33.34(6) . . . . ?
B1 C5 B15 B21 147.53(7) . . . . ?
C10 C5 B15 B21 -99.31(7) . . . . ?
B17 C5 B15 B21 1.97(9) . . . . ?
B16 C5 B15 B21 39.08(7) . . . . ?
B12 C5 B15 B21 -65.98(8) . . . . ?
B1 C5 B15 B14 -149.29(7) . . . . ?
C10 C5 B15 B14 -36.14(6) . . . . ?
B17 C5 B15 B14 65.14(8) . . . . ?
B16 C5 B15 B14 102.25(7) . . . . ?
B12 C5 B15 B14 -2.80(9) . . . . ?
B1 C5 B15 B16 108.45(8) . . . . ?
C10 C5 B15 B16 -138.39(7) . . . . ?
B17 C5 B15 B16 -37.11(7) . . . . ?
B12 C5 B15 B16 -105.06(7) . . . . ?
C11 C10 B15 C5 106.45(8) . . . . ?
B13 C10 B15 C5 -101.26(7) . . . . ?
B14 C10 B15 C5 -138.59(7) . . . . ?
B12 C10 B15 C5 -33.42(6) . . . . ?
C11 C10 B15 B21 -154.53(7) . . . . ?
C5 C10 B15 B21 99.02(7) . . . . ?
B13 C10 B15 B21 -2.23(9) . . . . ?
B14 C10 B15 B21 -39.57(7) . . . . ?
B12 C10 B15 B21 65.61(8) . . . . ?
C11 C10 B15 B14 -114.96(8) . . . . ?
C5 C10 B15 B14 138.59(7) . . . . ?
B13 C10 B15 B14 37.33(7) . . . . ?
B12 C10 B15 B14 105.17(7) . . . . ?
C11 C10 B15 B16 142.63(7) . . . . ?
C5 C10 B15 B16 36.19(6) . . . . ?
B13 C10 B15 B16 -65.07(8) . . . . ?
B14 C10 B15 B16 -102.41(7) . . . . ?
B12 C10 B15 B16 2.77(9) . . . . ?
B16 B21 B15 C5 -38.41(6) . . . . ?
B20 B21 B15 C5 62.19(9) . . . . ?
B14 B21 B15 C5 99.95(7) . . . . ?
B18 B21 B15 C5 -0.86(9) . . . . ?
B16 B21 B15 C10 -99.53(7) . . . . ?
B20 B21 B15 C10 1.07(9) . . . . ?
B14 B21 B15 C10 38.82(7) . . . . ?
B18 B21 B15 C10 -61.98(9) . . . . ?
B16 B21 B15 B14 -138.36(8) . . . . ?
B20 B21 B15 B14 -37.76(7) . . . . ?
B18 B21 B15 B14 -100.81(8) . . . . ?
B20 B21 B15 B16 100.60(8) . . . . ?
B14 B21 B15 B16 138.36(8) . . . . ?
B18 B21 B15 B16 37.55(7) . . . . ?
B18 B16 B15 C5 97.70(7) . . . . ?
B21 B16 B15 C5 135.62(7) . . . . ?
B17 B16 B15 C5 34.16(6) . . . . ?
C5 B16 B15 C10 -36.10(6) . . . . ?
B18 B16 B15 C10 61.60(8) . . . . ?
B21 B16 B15 C10 99.52(7) . . . . ?
B17 B16 B15 C10 -1.95(8) . . . . ?
C5 B16 B15 B21 -135.62(7) . . . . ?
B18 B16 B15 B21 -37.93(7) . . . . ?
B17 B16 B15 B21 -101.47(8) . . . . ?
C5 B16 B15 B14 -98.04(7) . . . . ?
B18 B16 B15 B14 -0.34(9) . . . . ?
B21 B16 B15 B14 37.59(7) . . . . ?
B17 B16 B15 B14 -63.88(8) . . . . ?
C11 C10 B14 B15 108.55(9) . . . . ?
C5 C10 B14 B15 -37.74(6) . . . . ?
B13 C10 B14 B15 -140.70(7) . . . . ?
B12 C10 B14 B15 -103.71(7) . . . . ?
C11 C10 B14 B13 -110.75(9) . . . . ?
C5 C10 B14 B13 102.96(7) . . . . ?
B12 C10 B14 B13 36.99(7) . . . . ?
B15 C10 B14 B13 140.70(7) . . . . ?
C11 C10 B14 B21 147.60(8) . . . . ?
C5 C10 B14 B21 1.31(9) . . . . ?
B13 C10 B14 B21 -101.65(8) . . . . ?
B12 C10 B14 B21 -64.66(9) . . . . ?
B15 C10 B14 B21 39.05(7) . . . . ?
C11 C10 B14 B20 -149.99(8) . . . . ?
C5 C10 B14 B20 63.72(8) . . . . ?
B13 C10 B14 B20 -39.24(7) . . . . ?
B12 C10 B14 B20 -2.25(9) . . . . ?
B15 C10 B14 B20 101.46(8) . . . . ?
C5 B15 B14 C10 35.99(6) . . . . ?
B21 B15 B14 C10 135.26(7) . . . . ?
B16 B15 B14 C10 97.80(7) . . . . ?
C5 B15 B14 B13 1.37(9) . . . . ?
C10 B15 B14 B13 -34.62(6) . . . . ?
B21 B15 B14 B13 100.64(8) . . . . ?
B16 B15 B14 B13 63.19(9) . . . . ?
C5 B15 B14 B21 -99.27(7) . . . . ?
C10 B15 B14 B21 -135.26(7) . . . . ?
B16 B15 B14 B21 -37.45(7) . . . . ?
C5 B15 B14 B20 -61.67(9) . . . . ?
C10 B15 B14 B20 -97.66(8) . . . . ?
B21 B15 B14 B20 37.60(7) . . . . ?
B16 B15 B14 B20 0.15(9) . . . . ?
B15 B21 B14 C10 -38.98(6) . . . . ?
B16 B21 B14 C10 -1.54(10) . . . . ?
B20 B21 B14 C10 98.73(8) . . . . ?
B18 B21 B14 C10 61.64(9) . . . . ?
B16 B21 B14 B15 37.44(7) . . . . ?
B20 B21 B14 B15 137.71(7) . . . . ?
B18 B21 B14 B15 100.62(7) . . . . ?
B15 B21 B14 B13 -100.48(7) . . . . ?
B16 B21 B14 B13 -63.05(9) . . . . ?
B20 B21 B14 B13 37.23(7) . . . . ?
B18 B21 B14 B13 0.13(9) . . . . ?
B15 B21 B14 B20 -137.71(7) . . . . ?
B16 B21 B14 B20 -100.28(8) . . . . ?
B18 B21 B14 B20 -37.09(7) . . . . ?
B13 B20 B14 C10 38.70(6) . . . . ?
B18 B20 B14 C10 -61.99(9) . . . . ?
B21 B20 B14 C10 -99.51(7) . . . . ?
B19 B20 B14 C10 1.67(10) . . . . ?
B13 B20 B14 B15 100.79(8) . . . . ?
B18 B20 B14 B15 0.10(10) . . . . ?
B21 B20 B14 B15 -37.42(7) . . . . ?
B19 B20 B14 B15 63.76(9) . . . . ?
B18 B20 B14 B13 -100.69(8) . . . . ?
B21 B20 B14 B13 -138.21(7) . . . . ?
B19 B20 B14 B13 -37.03(7) . . . . ?
B13 B20 B14 B21 138.21(7) . . . . ?
B18 B20 B14 B21 37.52(7) . . . . ?
B19 B20 B14 B21 101.18(8) . . . . ?
C11 C10 B13 B20 154.27(8) . . . . ?
C5 C10 B13 B20 -62.95(8) . . . . ?
B14 C10 B13 B20 39.57(7) . . . . ?
B12 C10 B13 B20 -101.68(7) . . . . ?
B15 C10 B13 B20 2.45(9) . . . . ?
C11 C10 B13 B19 -142.63(8) . . . . ?
C5 C10 B13 B19 0.15(9) . . . . ?
B14 C10 B13 B19 102.67(8) . . . . ?
B12 C10 B13 B19 -38.59(7) . . . . ?
B15 C10 B13 B19 65.55(9) . . . . ?
C11 C10 B13 B12 -104.05(8) . . . . ?
C5 C10 B13 B12 38.74(6) . . . . ?
B14 C10 B13 B12 141.25(7) . . . . ?
B15 C10 B13 B12 104.14(7) . . . . ?
C11 C10 B13 B14 114.70(9) . . . . ?
C5 C10 B13 B14 -102.52(7) . . . . ?
B12 C10 B13 B14 -141.25(7) . . . . ?
B15 C10 B13 B14 -37.12(7) . . . . ?
B18 B20 B13 C10 62.22(9) . . . . ?
B21 B20 B13 C10 -1.67(9) . . . . ?
B14 B20 B13 C10 -39.03(6) . . . . ?
B19 B20 B13 C10 99.43(7) . . . . ?
B18 B20 B13 B19 -37.22(7) . . . . ?
B21 B20 B13 B19 -101.11(8) . . . . ?
B14 B20 B13 B19 -138.46(7) . . . . ?
B18 B20 B13 B12 0.09(10) . . . . ?
B21 B20 B13 B12 -63.80(9) . . . . ?
B14 B20 B13 B12 -101.15(7) . . . . ?
B19 B20 B13 B12 37.31(7) . . . . ?
B18 B20 B13 B14 101.24(8) . . . . ?
B21 B20 B13 B14 37.36(7) . . . . ?
B19 B20 B13 B14 138.46(7) . . . . ?
B12 B19 B13 C10 38.47(6) . . . . ?
B17 B19 B13 C10 0.72(9) . . . . ?
B18 B19 B13 C10 -62.59(8) . . . . ?
B20 B19 B13 C10 -99.49(8) . . . . ?
B12 B19 B13 B20 137.95(7) . . . . ?
B17 B19 B13 B20 100.20(8) . . . . ?
B18 B19 B13 B20 36.90(7) . . . . ?
B17 B19 B13 B12 -37.75(7) . . . . ?
B18 B19 B13 B12 -101.06(7) . . . . ?
B20 B19 B13 B12 -137.95(7) . . . . ?
B12 B19 B13 B14 100.54(7) . . . . ?
B17 B19 B13 B14 62.79(9) . . . . ?
B18 B19 B13 B14 -0.51(9) . . . . ?
B20 B19 B13 B14 -37.41(7) . . . . ?
C5 B12 B13 C10 -36.47(6) . . . . ?
B19 B12 B13 C10 -135.82(7) . . . . ?
B17 B12 B13 C10 -97.89(7) . . . . ?
C10 B12 B13 B20 98.08(8) . . . . ?
C5 B12 B13 B20 61.61(8) . . . . ?
B19 B12 B13 B20 -37.75(7) . . . . ?
B17 B12 B13 B20 0.19(9) . . . . ?
C10 B12 B13 B19 135.82(7) . . . . ?
C5 B12 B13 B19 99.36(7) . . . . ?
B17 B12 B13 B19 37.94(7) . . . . ?
C10 B12 B13 B14 34.41(6) . . . . ?
C5 B12 B13 B14 -2.05(9) . . . . ?
B19 B12 B13 B14 -101.41(8) . . . . ?
B17 B12 B13 B14 -63.48(8) . . . . ?
B15 B14 B13 C10 34.91(6) . . . . ?
B21 B14 B13 C10 97.77(7) . . . . ?
B20 B14 B13 C10 135.05(7) . . . . ?
C10 B14 B13 B20 -135.05(7) . . . . ?
B15 B14 B13 B20 -100.14(8) . . . . ?
B21 B14 B13 B20 -37.29(7) . . . . ?
C10 B14 B13 B19 -97.53(7) . . . . ?
B15 B14 B13 B19 -62.62(9) . . . . ?
B21 B14 B13 B19 0.24(9) . . . . ?
B20 B14 B13 B19 37.52(7) . . . . ?
C10 B14 B13 B12 -34.47(6) . . . . ?
B15 B14 B13 B12 0.44(9) . . . . ?
B21 B14 B13 B12 63.29(9) . . . . ?
B20 B14 B13 B12 100.58(8) . . . . ?
C3 C2 B2 C1 97.41(7) . . . . ?
B7 C2 B2 C1 -139.82(7) . . . . ?
B6 C2 B2 C1 -103.21(8) . . . . ?
B5 C2 B2 C1 -33.05(7) . . . . ?
C3 C2 B2 B8 -163.54(7) . . . . ?
C1 C2 B2 B8 99.05(7) . . . . ?
B7 C2 B2 B8 -40.77(7) . . . . ?
B6 C2 B2 B8 -4.16(9) . . . . ?
B5 C2 B2 B8 66.00(8) . . . . ?
C3 C2 B2 B3 133.74(7) . . . . ?
C1 C2 B2 B3 36.33(6) . . . . ?
B7 C2 B2 B3 -103.50(7) . . . . ?
B6 C2 B2 B3 -66.88(8) . . . . ?
B5 C2 B2 B3 3.28(9) . . . . ?
C3 C2 B2 B7 -122.76(8) . . . . ?
C1 C2 B2 B7 139.82(7) . . . . ?
B6 C2 B2 B7 36.61(7) . . . . ?
B5 C2 B2 B7 106.77(8) . . . . ?
B1 C1 B2 C2 -92.65(7) . . . . ?
B3 C1 B2 C2 137.49(7) . . . . ?
B4 C1 B2 C2 101.06(7) . . . . ?
B5 C1 B2 C2 32.72(7) . . . . ?
B1 C1 B2 B8 170.08(7) . . . . ?
C2 C1 B2 B8 -97.26(7) . . . . ?
B3 C1 B2 B8 40.23(7) . . . . ?
B4 C1 B2 B8 3.80(9) . . . . ?
B5 C1 B2 B8 -64.55(8) . . . . ?
B1 C1 B2 B3 129.86(8) . . . . ?
C2 C1 B2 B3 -137.49(7) . . . . ?
B4 C1 B2 B3 -36.43(7) . . . . ?
B5 C1 B2 B3 -104.78(7) . . . . ?
B1 C1 B2 B7 -126.92(7) . . . . ?
C2 C1 B2 B7 -34.27(6) . . . . ?
B3 C1 B2 B7 103.22(7) . . . . ?
B4 C1 B2 B7 66.79(8) . . . . ?
B5 C1 B2 B7 -1.56(9) . . . . ?
C2 B2 B8 B3 -98.01(7) . . . . ?
C1 B2 B8 B3 -39.11(6) . . . . ?
B7 B2 B8 B3 -137.30(7) . . . . ?
C2 B2 B8 B7 39.29(6) . . . . ?
C1 B2 B8 B7 98.20(7) . . . . ?
B3 B2 B8 B7 137.30(7) . . . . ?
C2 B2 B8 B9 -60.85(9) . . . . ?
C1 B2 B8 B9 -1.94(9) . . . . ?
B3 B2 B8 B9 37.17(7) . . . . ?
B7 B2 B8 B9 -100.14(8) . . . . ?
C2 B2 B8 B11 2.39(9) . . . . ?
C1 B2 B8 B11 61.30(9) . . . . ?
B3 B2 B8 B11 100.40(8) . . . . ?
B7 B2 B8 B11 -36.90(7) . . . . ?
C3 C2 B7 B11 -159.57(8) . . . . ?
C1 C2 B7 B11 64.14(9) . . . . ?
B6 C2 B7 B11 -40.68(7) . . . . ?
B2 C2 B7 B11 102.22(8) . . . . ?
B5 C2 B7 B11 -4.13(10) . . . . ?
C3 C2 B7 B6 -118.89(10) . . . . ?
C1 C2 B7 B6 104.83(8) . . . . ?
B2 C2 B7 B6 142.91(7) . . . . ?
B5 C2 B7 B6 36.55(7) . . . . ?
C3 C2 B7 B2 98.21(9) . . . . ?
C1 C2 B7 B2 -38.08(7) . . . . ?
B6 C2 B7 B2 -142.91(7) . . . . ?
B5 C2 B7 B2 -106.35(7) . . . . ?
C3 C2 B7 B8 138.08(8) . . . . ?
C1 C2 B7 B8 1.79(9) . . . . ?
B6 C2 B7 B8 -103.03(8) . . . . ?
B2 C2 B7 B8 39.87(7) . . . . ?
B5 C2 B7 B8 -66.48(9) . . . . ?
C1 B2 B7 C2 33.87(6) . . . . ?
B8 B2 B7 C2 133.45(7) . . . . ?
B3 B2 B7 C2 94.86(7) . . . . ?
C2 B2 B7 B11 -96.40(8) . . . . ?
C1 B2 B7 B11 -62.53(9) . . . . ?
B8 B2 B7 B11 37.04(7) . . . . ?
B3 B2 B7 B11 -1.54(10) . . . . ?
C2 B2 B7 B6 -32.85(7) . . . . ?
C1 B2 B7 B6 1.02(9) . . . . ?
B8 B2 B7 B6 100.59(8) . . . . ?
B3 B2 B7 B6 62.01(9) . . . . ?
C2 B2 B7 B8 -133.45(7) . . . . ?
C1 B2 B7 B8 -99.58(7) . . . . ?
B3 B2 B7 B8 -38.59(7) . . . . ?
B2 B8 B7 C2 -40.17(6) . . . . ?
B3 B8 B7 C2 -1.88(9) . . . . ?
B9 B8 B7 C2 61.32(9) . . . . ?
B11 B8 B7 C2 98.41(8) . . . . ?
B2 B8 B7 B11 -138.57(7) . . . . ?
B3 B8 B7 B11 -100.29(8) . . . . ?
B9 B8 B7 B11 -37.09(7) . . . . ?
B2 B8 B7 B6 -101.16(8) . . . . ?
B3 B8 B7 B6 -62.88(9) . . . . ?
B9 B8 B7 B6 0.32(9) . . . . ?
B11 B8 B7 B6 37.41(7) . . . . ?
B3 B8 B7 B2 38.28(7) . . . . ?
B9 B8 B7 B2 101.49(7) . . . . ?
B11 B8 B7 B2 138.57(7) . . . . ?
C3 C2 B6 B11 159.63(8) . . . . ?
C1 C2 B6 B11 -64.44(9) . . . . ?
B7 C2 B6 B11 40.47(7) . . . . ?
B2 C2 B6 B11 4.05(10) . . . . ?
B5 C2 B6 B11 -102.19(8) . . . . ?
C3 C2 B6 B7 119.16(10) . . . . ?
C1 C2 B6 B7 -104.91(8) . . . . ?
B2 C2 B6 B7 -36.42(7) . . . . ?
B5 C2 B6 B7 -142.66(7) . . . . ?
C3 C2 B6 B5 -98.19(9) . . . . ?
C1 C2 B6 B5 37.75(7) . . . . ?
B7 C2 B6 B5 142.66(7) . . . . ?
B2 C2 B6 B5 106.24(7) . . . . ?
C3 C2 B6 B10 -137.93(9) . . . . ?
C1 C2 B6 B10 -2.00(10) . . . . ?
B7 C2 B6 B10 102.91(8) . . . . ?
B2 C2 B6 B10 66.49(9) . . . . ?
B5 C2 B6 B10 -39.75(7) . . . . ?
B11 B7 B6 C2 133.18(7) . . . . ?
B2 B7 B6 C2 33.25(7) . . . . ?
B8 B7 B6 C2 95.69(7) . . . . ?
C2 B7 B6 B11 -133.18(7) . . . . ?
B2 B7 B6 B11 -99.93(8) . . . . ?
B8 B7 B6 B11 -37.49(7) . . . . ?
C2 B7 B6 B5 -33.45(7) . . . . ?
B11 B7 B6 B5 99.72(8) . . . . ?
B2 B7 B6 B5 -0.20(10) . . . . ?
B8 B7 B6 B5 62.24(9) . . . . ?
C2 B7 B6 B10 -95.71(7) . . . . ?
B11 B7 B6 B10 37.47(7) . . . . ?
B2 B7 B6 B10 -62.46(9) . . . . ?
B8 B7 B6 B10 -0.01(9) . . . . ?
C2 B6 B10 B5 40.15(7) . . . . ?
B11 B6 B10 B5 138.13(8) . . . . ?
B7 B6 B10 B5 100.91(8) . . . . ?
C2 B6 B10 B4 1.88(10) . . . . ?
B11 B6 B10 B4 99.86(8) . . . . ?
B7 B6 B10 B4 62.65(9) . . . . ?
B5 B6 B10 B4 -38.26(7) . . . . ?
C2 B6 B10 B9 -61.06(9) . . . . ?
B11 B6 B10 B9 36.92(7) . . . . ?
B7 B6 B10 B9 -0.30(10) . . . . ?
B5 B6 B10 B9 -101.21(8) . . . . ?
C2 B6 B10 B11 -97.98(8) . . . . ?
B7 B6 B10 B11 -37.22(7) . . . . ?
B5 B6 B10 B11 -138.13(8) . . . . ?
B2 B8 B9 B4 -0.37(10) . . . . ?
B3 B8 B9 B4 36.98(7) . . . . ?
B7 B8 B9 B4 -64.20(9) . . . . ?
B11 B8 B9 B4 -101.20(8) . . . . ?
B2 B8 B9 B11 100.83(8) . . . . ?
B3 B8 B9 B11 138.18(7) . . . . ?
B7 B8 B9 B11 37.01(7) . . . . ?
B2 B8 B9 B3 -37.35(7) . . . . ?
B7 B8 B9 B3 -101.17(7) . . . . ?
B11 B8 B9 B3 -138.18(7) . . . . ?
B2 B8 B9 B10 63.31(9) . . . . ?
B3 B8 B9 B10 100.66(8) . . . . ?
B7 B8 B9 B10 -0.51(9) . . . . ?
B11 B8 B9 B10 -37.52(7) . . . . ?
B5 B10 B9 B4 37.28(7) . . . . ?
B6 B10 B9 B4 101.01(8) . . . . ?
B11 B10 B9 B4 137.89(7) . . . . ?
B5 B10 B9 B11 -100.61(8) . . . . ?
B4 B10 B9 B11 -137.89(7) . . . . ?
B6 B10 B9 B11 -36.88(7) . . . . ?
B5 B10 B9 B3 0.33(10) . . . . ?
B4 B10 B9 B3 -36.95(7) . . . . ?
B6 B10 B9 B3 64.06(9) . . . . ?
B11 B10 B9 B3 100.95(8) . . . . ?
B5 B10 B9 B8 -63.23(9) . . . . ?
B4 B10 B9 B8 -100.51(8) . . . . ?
B6 B10 B9 B8 0.50(9) . . . . ?
B11 B10 B9 B8 37.38(7) . . . . ?
C2 B7 B11 B6 39.86(7) . . . . ?
B2 B7 B11 B6 101.84(8) . . . . ?
B8 B7 B11 B6 138.29(7) . . . . ?
C2 B7 B11 B9 -60.98(9) . . . . ?
B6 B7 B11 B9 -100.84(8) . . . . ?
B2 B7 B11 B9 1.00(10) . . . . ?
B8 B7 B11 B9 37.44(7) . . . . ?
C2 B7 B11 B8 -98.43(7) . . . . ?
B6 B7 B11 B8 -138.29(7) . . . . ?
B2 B7 B11 B8 -36.44(7) . . . . ?
C2 B7 B11 B10 2.51(10) . . . . ?
B6 B7 B11 B10 -37.35(7) . . . . ?
B2 B7 B11 B10 64.49(9) . . . . ?
B8 B7 B11 B10 100.94(8) . . . . ?
C2 B6 B11 B7 -39.67(6) . . . . ?
B5 B6 B11 B7 -101.64(8) . . . . ?
B10 B6 B11 B7 -138.36(7) . . . . ?
C2 B6 B11 B9 61.40(9) . . . . ?
B7 B6 B11 B9 101.07(8) . . . . ?
B5 B6 B11 B9 -0.57(10) . . . . ?
B10 B6 B11 B9 -37.28(7) . . . . ?
C2 B6 B11 B8 -2.23(10) . . . . ?
B7 B6 B11 B8 37.44(7) . . . . ?
B5 B6 B11 B8 -64.20(9) . . . . ?
B10 B6 B11 B8 -100.91(8) . . . . ?
C2 B6 B11 B10 98.69(7) . . . . ?
B7 B6 B11 B10 138.36(7) . . . . ?
B5 B6 B11 B10 36.71(7) . . . . ?
B4 B9 B11 B7 63.22(10) . . . . ?
B3 B9 B11 B7 -0.09(10) . . . . ?
B8 B9 B11 B7 -37.48(7) . . . . ?
B10 B9 B11 B7 100.97(8) . . . . ?
B4 B9 B11 B6 -0.40(10) . . . . ?
B3 B9 B11 B6 -63.70(9) . . . . ?
B8 B9 B11 B6 -101.10(8) . . . . ?
B10 B9 B11 B6 37.36(7) . . . . ?
B4 B9 B11 B8 100.70(8) . . . . ?
B3 B9 B11 B8 37.39(7) . . . . ?
B10 B9 B11 B8 138.46(7) . . . . ?
B4 B9 B11 B10 -37.76(7) . . . . ?
B3 B9 B11 B10 -101.06(8) . . . . ?
B8 B9 B11 B10 -138.46(7) . . . . ?
B2 B8 B11 B7 37.28(7) . . . . ?
B3 B8 B11 B7 100.99(8) . . . . ?
B9 B8 B11 B7 138.24(7) . . . . ?
B2 B8 B11 B6 -0.13(10) . . . . ?
B3 B8 B11 B6 63.58(9) . . . . ?
B7 B8 B11 B6 -37.40(7) . . . . ?
B9 B8 B11 B6 100.83(8) . . . . ?
B2 B8 B11 B9 -100.96(8) . . . . ?
B3 B8 B11 B9 -37.25(7) . . . . ?
B7 B8 B11 B9 -138.24(7) . . . . ?
B2 B8 B11 B10 -63.79(9) . . . . ?
B3 B8 B11 B10 -0.07(10) . . . . ?
B7 B8 B11 B10 -101.06(8) . . . . ?
B9 B8 B11 B10 37.18(7) . . . . ?
B5 B10 B11 B7 -0.24(10) . . . . ?
B4 B10 B11 B7 -63.66(9) . . . . ?
B9 B10 B11 B7 -100.97(8) . . . . ?
B6 B10 B11 B7 37.34(7) . . . . ?
B5 B10 B11 B6 -37.59(7) . . . . ?
B4 B10 B11 B6 -101.00(8) . . . . ?
B9 B10 B11 B6 -138.31(7) . . . . ?
B5 B10 B11 B9 100.72(8) . . . . ?
B4 B10 B11 B9 37.31(7) . . . . ?
B6 B10 B11 B9 138.31(7) . . . . ?
B5 B10 B11 B8 63.48(9) . . . . ?
B4 B10 B11 B8 0.07(10) . . . . ?
B9 B10 B11 B8 -37.24(7) . . . . ?
B6 B10 B11 B8 101.07(8) . . . . ?
B1 C1 B4 B5 91.19(9) . . . . ?
C2 C1 B4 B5 -39.32(7) . . . . ?
B3 C1 B4 B5 -142.11(7) . . . . ?
B2 C1 B4 B5 -105.82(7) . . . . ?
B1 C1 B4 B3 -126.70(9) . . . . ?
C2 C1 B4 B3 102.79(7) . . . . ?
B5 C1 B4 B3 142.11(7) . . . . ?
B2 C1 B4 B3 36.29(7) . . . . ?
B1 C1 B4 B9 -166.99(8) . . . . ?
C2 C1 B4 B9 62.50(8) . . . . ?
B3 C1 B4 B9 -40.29(6) . . . . ?
B5 C1 B4 B9 101.82(7) . . . . ?
B2 C1 B4 B9 -4.00(9) . . . . ?
B1 C1 B4 B10 130.45(9) . . . . ?
C2 C1 B4 B10 -0.06(9) . . . . ?
B3 C1 B4 B10 -102.85(7) . . . . ?
B5 C1 B4 B10 39.26(7) . . . . ?
B2 C1 B4 B10 -66.56(8) . . . . ?
B11 B9 B4 C1 -61.12(9) . . . . ?
B3 B9 B4 C1 39.60(6) . . . . ?
B8 B9 B4 C1 2.55(9) . . . . ?
B10 B9 B4 C1 -99.04(7) . . . . ?
B11 B9 B4 B5 1.22(10) . . . . ?
B3 B9 B4 B5 101.94(7) . . . . ?
B8 B9 B4 B5 64.89(9) . . . . ?
B10 B9 B4 B5 -36.70(7) . . . . ?
B11 B9 B4 B3 -100.72(8) . . . . ?
B8 B9 B4 B3 -37.05(7) . . . . ?
B10 B9 B4 B3 -138.64(7) . . . . ?
B11 B9 B4 B10 37.92(7) . . . . ?
B3 B9 B4 B10 138.64(7) . . . . ?
B8 B9 B4 B10 101.59(8) . . . . ?
B5 B10 B4 C1 -39.54(6) . . . . ?
B9 B10 B4 C1 98.82(7) . . . . ?
B6 B10 B4 C1 -1.15(9) . . . . ?
B11 B10 B4 C1 61.56(9) . . . . ?
B9 B10 B4 B5 138.36(7) . . . . ?
B6 B10 B4 B5 38.39(7) . . . . ?
B11 B10 B4 B5 101.11(8) . . . . ?
B5 B10 B4 B3 -101.15(7) . . . . ?
B9 B10 B4 B3 37.22(7) . . . . ?
B6 B10 B4 B3 -62.76(9) . . . . ?
B11 B10 B4 B3 -0.04(9) . . . . ?
B5 B10 B4 B9 -138.36(7) . . . . ?
B6 B10 B4 B9 -99.97(8) . . . . ?
B11 B10 B4 B9 -37.26(7) . . . . ?
C3 C2 B5 C1 -97.37(7) . . . . ?
B7 C2 B5 C1 103.31(8) . . . . ?
B6 C2 B5 C1 140.09(7) . . . . ?
B2 C2 B5 C1 33.11(6) . . . . ?
C3 C2 B5 B10 163.33(7) . . . . ?
C1 C2 B5 B10 -99.30(7) . . . . ?
B7 C2 B5 B10 4.01(9) . . . . ?
B6 C2 B5 B10 40.79(7) . . . . ?
B2 C2 B5 B10 -66.20(9) . . . . ?
C3 C2 B5 B4 -133.79(7) . . . . ?
C1 C2 B5 B4 -36.43(6) . . . . ?
B7 C2 B5 B4 66.88(9) . . . . ?
B6 C2 B5 B4 103.67(8) . . . . ?
B2 C2 B5 B4 -3.32(9) . . . . ?
C3 C2 B5 B6 122.54(8) . . . . ?
C1 C2 B5 B6 -140.09(7) . . . . ?
B7 C2 B5 B6 -36.79(7) . . . . ?
B2 C2 B5 B6 -106.99(8) . . . . ?
B1 C1 B5 C2 94.73(7) . . . . ?
B3 C1 B5 C2 -101.08(7) . . . . ?
B4 C1 B5 C2 -137.43(7) . . . . ?
B2 C1 B5 C2 -32.63(7) . . . . ?
B1 C1 B5 B10 -168.03(7) . . . . ?
C2 C1 B5 B10 97.24(7) . . . . ?
B3 C1 B5 B10 -3.83(9) . . . . ?
B4 C1 B5 B10 -40.18(7) . . . . ?
B2 C1 B5 B10 64.62(9) . . . . ?
B1 C1 B5 B4 -127.84(7) . . . . ?
C2 C1 B5 B4 137.43(7) . . . . ?
B3 C1 B5 B4 36.35(7) . . . . ?
B2 C1 B5 B4 104.80(7) . . . . ?
B1 C1 B5 B6 128.79(7) . . . . ?
C2 C1 B5 B6 34.06(6) . . . . ?
B3 C1 B5 B6 -67.01(8) . . . . ?
B4 C1 B5 B6 -103.37(7) . . . . ?
B2 C1 B5 B6 1.43(9) . . . . ?
B4 B10 B5 C2 97.94(7) . . . . ?
B9 B10 B5 C2 60.86(9) . . . . ?
B6 B10 B5 C2 -39.25(6) . . . . ?
B11 B10 B5 C2 -2.08(9) . . . . ?
B4 B10 B5 C1 39.07(6) . . . . ?
B9 B10 B5 C1 1.99(9) . . . . ?
B6 B10 B5 C1 -98.13(7) . . . . ?
B11 B10 B5 C1 -60.96(9) . . . . ?
B9 B10 B5 B4 -37.08(7) . . . . ?
B6 B10 B5 B4 -137.20(8) . . . . ?
B11 B10 B5 B4 -100.02(8) . . . . ?
B4 B10 B5 B6 137.20(8) . . . . ?
B9 B10 B5 B6 100.12(8) . . . . ?
B11 B10 B5 B6 37.18(7) . . . . ?
C1 B4 B5 C2 35.61(6) . . . . ?
B3 B4 B5 C2 1.92(9) . . . . ?
B9 B4 B5 C2 -61.76(8) . . . . ?
B10 B4 B5 C2 -98.96(7) . . . . ?
B3 B4 B5 C1 -33.69(6) . . . . ?
B9 B4 B5 C1 -97.37(7) . . . . ?
B10 B4 B5 C1 -134.57(7) . . . . ?
C1 B4 B5 B10 134.57(7) . . . . ?
B3 B4 B5 B10 100.88(8) . . . . ?
B9 B4 B5 B10 37.20(7) . . . . ?
C1 B4 B5 B6 95.78(7) . . . . ?
B3 B4 B5 B6 62.10(9) . . . . ?
B9 B4 B5 B6 -1.58(9) . . . . ?
B10 B4 B5 B6 -38.78(7) . . . . ?
B11 B6 B5 C2 96.10(8) . . . . ?
B7 B6 B5 C2 32.93(7) . . . . ?
B10 B6 B5 C2 133.54(7) . . . . ?
C2 B6 B5 C1 -33.63(6) . . . . ?
B11 B6 B5 C1 62.48(9) . . . . ?
B7 B6 B5 C1 -0.70(9) . . . . ?
B10 B6 B5 C1 99.91(7) . . . . ?
C2 B6 B5 B10 -133.54(7) . . . . ?
B11 B6 B5 B10 -37.43(7) . . . . ?
B7 B6 B5 B10 -100.61(8) . . . . ?
C2 B6 B5 B4 -94.76(7) . . . . ?
B11 B6 B5 B4 1.34(10) . . . . ?
B7 B6 B5 B4 -61.84(9) . . . . ?
B10 B6 B5 B4 38.77(7) . . . . ?
B1 C1 B3 B4 122.58(10) . . . . ?
C2 C1 B3 B4 -102.91(7) . . . . ?
B5 C1 B3 B4 -36.17(7) . . . . ?
B2 C1 B3 B4 -142.04(7) . . . . ?
B1 C1 B3 B2 -95.38(10) . . . . ?
C2 C1 B3 B2 39.13(6) . . . . ?
B4 C1 B3 B2 142.04(7) . . . . ?
B5 C1 B3 B2 105.87(7) . . . . ?
B1 C1 B3 B9 162.75(8) . . . . ?
C2 C1 B3 B9 -62.74(8) . . . . ?
B4 C1 B3 B9 40.17(6) . . . . ?
B5 C1 B3 B9 4.00(9) . . . . ?
B2 C1 B3 B9 -101.87(7) . . . . ?
B1 C1 B3 B8 -134.77(9) . . . . ?
C2 C1 B3 B8 -0.26(9) . . . . ?
B4 C1 B3 B8 102.65(7) . . . . ?
B5 C1 B3 B8 66.48(8) . . . . ?
B2 C1 B3 B8 -39.39(6) . . . . ?
B5 B4 B3 C1 34.03(6) . . . . ?
B9 B4 B3 C1 133.94(7) . . . . ?
B10 B4 B3 C1 96.72(7) . . . . ?
C1 B4 B3 B2 -34.10(6) . . . . ?
B5 B4 B3 B2 -0.07(9) . . . . ?
B9 B4 B3 B2 99.84(7) . . . . ?
B10 B4 B3 B2 62.62(8) . . . . ?
C1 B4 B3 B9 -133.94(7) . . . . ?
B5 B4 B3 B9 -99.91(8) . . . . ?
B10 B4 B3 B9 -37.22(7) . . . . ?
C1 B4 B3 B8 -96.73(7) . . . . ?
B5 B4 B3 B8 -62.70(9) . . . . ?
B9 B4 B3 B8 37.21(7) . . . . ?
B10 B4 B3 B8 -0.01(9) . . . . ?
C2 B2 B3 C1 -35.60(6) . . . . ?
B8 B2 B3 C1 -134.36(7) . . . . ?
B7 B2 B3 C1 -95.76(7) . . . . ?
C2 B2 B3 B4 -1.82(8) . . . . ?
C1 B2 B3 B4 33.78(6) . . . . ?
B8 B2 B3 B4 -100.58(8) . . . . ?
B7 B2 B3 B4 -61.98(9) . . . . ?
C2 B2 B3 B9 61.65(8) . . . . ?
C1 B2 B3 B9 97.25(7) . . . . ?
B8 B2 B3 B9 -37.11(7) . . . . ?
B7 B2 B3 B9 1.49(9) . . . . ?
C2 B2 B3 B8 98.76(7) . . . . ?
C1 B2 B3 B8 134.36(7) . . . . ?
B7 B2 B3 B8 38.60(7) . . . . ?
B4 B9 B3 C1 -39.61(6) . . . . ?
B11 B9 B3 C1 61.47(9) . . . . ?
B8 B9 B3 C1 98.95(7) . . . . ?
B10 B9 B3 C1 -2.53(9) . . . . ?
B11 B9 B3 B4 101.08(8) . . . . ?
B8 B9 B3 B4 138.56(7) . . . . ?
B10 B9 B3 B4 37.08(7) . . . . ?
B4 B9 B3 B2 -101.94(7) . . . . ?
B11 B9 B3 B2 -0.86(9) . . . . ?
B8 B9 B3 B2 36.62(7) . . . . ?
B10 B9 B3 B2 -64.86(9) . . . . ?
B4 B9 B3 B8 -138.56(7) . . . . ?
B11 B9 B3 B8 -37.48(7) . . . . ?
B10 B9 B3 B8 -101.48(8) . . . . ?
B2 B8 B3 C1 39.69(6) . . . . ?
B7 B8 B3 C1 1.34(9) . . . . ?
B9 B8 B3 C1 -98.76(7) . . . . ?
B11 B8 B3 C1 -61.57(9) . . . . ?
B2 B8 B3 B4 101.31(7) . . . . ?
B7 B8 B3 B4 62.96(9) . . . . ?
B9 B8 B3 B4 -37.14(7) . . . . ?
B11 B8 B3 B4 0.05(9) . . . . ?
B7 B8 B3 B2 -38.34(7) . . . . ?
B9 B8 B3 B2 -138.45(7) . . . . ?
B11 B8 B3 B2 -101.26(8) . . . . ?
B2 B8 B3 B9 138.45(7) . . . . ?
B7 B8 B3 B9 100.10(8) . . . . ?
B11 B8 B3 B9 37.19(7) . . . . ?

_refine_diff_density_max         0.426
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.041

_shelxl_version_number           2013-3


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2331155'
loop_
_audit_author_name
_audit_author_address
'Yijie Li'
;Baylor University
United States of America
;
_audit_update_record             
;
2024-02-09 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        4
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H23 B11'
_chemical_formula_weight         406.31

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/c'
_space_group_name_Hall           '-P 2yc'

_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+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   11.6463(3)
_cell_length_b                   6.9742(2)
_cell_length_c                   26.5047(8)
_cell_angle_alpha                90
_cell_angle_beta                 95.4000(10)
_cell_angle_gamma                90
_cell_volume                     2143.25(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9805
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      27.12

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_F_000             840
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.375
_exptl_crystal_size_mid          0.340
_exptl_crystal_size_min          0.134
_exptl_absorpt_coefficient_mu    0.063
_shelx_estimated_absorpt_T_min   0.977
_shelx_estimated_absorpt_T_max   0.992
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_process_details   SADabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36150
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.921
_diffrn_reflns_theta_max         27.118
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4719
_reflns_number_gt                3811
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0567P)²+1.8974P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'DIRECT METHODS'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4719
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0541
_refine_ls_wR_factor_ref         0.1480
_refine_ls_wR_factor_gt          0.1269
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.000
_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
C3 C 0.27753(13) 0.2742(2) 0.56062(6) 0.0204(3) Uani 1 1 d . . . . .
C5 C 0.38822(13) 0.3680(2) 0.64293(6) 0.0233(3) Uani 1 1 d . . . . .
C4 C 0.38473(13) 0.3106(2) 0.59085(6) 0.0209(3) Uani 1 1 d . . . . .
C10 C 0.48922(14) 0.2930(2) 0.56747(6) 0.0225(3) Uani 1 1 d . . . . .
C7 C 0.27655(14) 0.2387(2) 0.51012(6) 0.0231(3) Uani 1 1 d . . . . .
H16 H 0.2047 0.2167 0.4909 0.028 Uiso 1 1 calc R U . . .
C9 C 0.48716(14) 0.2563(2) 0.51345(6) 0.0228(3) Uani 1 1 d . . . . .
C6 C 0.27943(13) 0.5665(3) 0.71281(6) 0.0248(3) Uani 1 1 d . . . . .
C1 C 0.16138(13) 0.3311(2) 0.64374(6) 0.0217(3) Uani 1 1 d . . . . .
C2 C 0.16536(13) 0.2583(2) 0.58411(6) 0.0203(3) Uani 1 1 d . . . . .
C13 C 0.49583(14) 0.3859(3) 0.67063(6) 0.0296(4) Uani 1 1 d . . . . .
H6 H 0.4995 0.4238 0.7052 0.035 Uiso 1 1 calc R U . . .
C17 C 0.58812(15) 0.2439(2) 0.48765(7) 0.0278(4) Uani 1 1 d . . . . .
H11 H 0.6616 0.2599 0.5060 0.033 Uiso 1 1 calc R U . . .
C8 C 0.37973(14) 0.2334(2) 0.48495(6) 0.0237(3) Uani 1 1 d . . . . .
C11 C 0.59440(14) 0.3094(3) 0.59810(7) 0.0277(4) Uani 1 1 d . . . . .
H8 H 0.6648 0.2922 0.5832 0.033 Uiso 1 1 calc R U . . .
C14 C 0.37422(16) 0.1973(3) 0.43237(6) 0.0287(4) Uani 1 1 d . . . . .
H14 H 0.3015 0.1812 0.4134 0.034 Uiso 1 1 calc R U . . .
C18 C 0.20683(15) 0.5552(3) 0.75245(6) 0.0300(4) Uani 1 1 d . . . . .
H18 H 0.1571 0.4479 0.7542 0.036 Uiso 1 1 calc R U . . .
C22 C 0.34978(15) 0.7287(3) 0.71185(6) 0.0294(4) Uani 1 1 d . . . . .
H22 H 0.4013 0.7389 0.6863 0.035 Uiso 1 1 calc R U . . .
C16 C 0.58071(16) 0.2091(3) 0.43631(7) 0.0313(4) Uani 1 1 d . . . . .
H12 H 0.6493 0.2011 0.4196 0.038 Uiso 1 1 calc R U . . .
C12 C 0.59766(14) 0.3497(3) 0.64883(7) 0.0314(4) Uani 1 1 d . . . . .
H7 H 0.6694 0.3528 0.6691 0.038 Uiso 1 1 calc R U . . .
C21 C 0.34664(16) 0.8754(3) 0.74712(7) 0.0333(4) Uani 1 1 d . . . . .
H21 H 0.3930 0.9865 0.7446 0.040 Uiso 1 1 calc R U . . .
C15 C 0.47403(17) 0.1853(3) 0.40849(6) 0.0323(4) Uani 1 1 d . . . . .
H13 H 0.4701 0.1608 0.3731 0.039 Uiso 1 1 calc R U . . .
C19 C 0.20687(16) 0.6980(3) 0.78881(7) 0.0348(4) Uani 1 1 d . . . . .
H19 H 0.1594 0.6852 0.8159 0.042 Uiso 1 1 calc R U . . .
C20 C 0.27550(16) 0.8589(3) 0.78606(7) 0.0345(4) Uani 1 1 d . . . . .
H20 H 0.2739 0.9575 0.8107 0.041 Uiso 1 1 calc R U . . .
B1 B 0.27837(16) 0.4189(3) 0.66831(6) 0.0237(4) Uani 1 1 d . . . . .
B6 B 0.03568(15) 0.2987(3) 0.54980(7) 0.0246(4) Uani 1 1 d . . . . .
H6A H 0.0258 0.3348 0.5084 0.030 Uiso 1 1 calc R U . . .
B5 B 0.09267(15) 0.4682(3) 0.59593(7) 0.0226(4) Uani 1 1 d . . . . .
H5 H 0.1211 0.6151 0.5854 0.027 Uiso 1 1 calc R U . . .
B2 B 0.15926(16) 0.0869(3) 0.63047(7) 0.0242(4) Uani 1 1 d . . . . .
H2 H 0.2312 -0.0145 0.6425 0.029 Uiso 1 1 calc R U . . .
B4 B 0.02830(15) 0.4222(3) 0.65271(7) 0.0245(4) Uani 1 1 d . . . . .
H4 H 0.0132 0.5402 0.6800 0.029 Uiso 1 1 calc R U . . .
B7 B 0.07642(16) 0.0647(3) 0.57106(7) 0.0250(4) Uani 1 1 d . . . . .
H7A H 0.0929 -0.0526 0.5438 0.030 Uiso 1 1 calc R U . . .
B10 B -0.05444(16) 0.4012(3) 0.59336(7) 0.0269(4) Uani 1 1 d . . . . .
H10 H -0.1251 0.5048 0.5810 0.032 Uiso 1 1 calc R U . . .
B3 B 0.06996(16) 0.1884(3) 0.67436(7) 0.0255(4) Uani 1 1 d . . . . .
H3 H 0.0826 0.1529 0.7157 0.031 Uiso 1 1 calc R U . . .
B11 B -0.06436(16) 0.1519(3) 0.57816(8) 0.0291(4) Uani 1 1 d . . . . .
H11A H -0.1422 0.0910 0.5557 0.035 Uiso 1 1 calc R U . . .
B8 B 0.01286(17) 0.0201(3) 0.62843(8) 0.0296(4) Uani 1 1 d . . . . .
H8A H -0.0135 -0.1275 0.6394 0.035 Uiso 1 1 calc R U . . .
B9 B -0.06861(16) 0.2278(3) 0.64193(8) 0.0279(4) Uani 1 1 d . . . . .
H9 H -0.1492 0.2168 0.6617 0.033 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
C3 C7 1.360(2) . ?
C3 C4 1.441(2) . ?
C3 C2 1.503(2) . ?
C5 C13 1.397(2) . ?
C5 C4 1.434(2) . ?
C5 B1 1.542(2) . ?
C4 C10 1.422(2) . ?
C10 C11 1.409(2) . ?
C10 C9 1.453(2) . ?
C7 C8 1.429(2) . ?
C9 C8 1.408(2) . ?
C9 C17 1.417(2) . ?
C6 C22 1.399(2) . ?
C6 C18 1.411(2) . ?
C6 B1 1.564(2) . ?
C1 B1 1.578(2) . ?
C1 C2 1.665(2) . ?
C1 B4 1.712(2) . ?
C1 B3 1.717(2) . ?
C1 B5 1.723(2) . ?
C1 B2 1.739(2) . ?
C2 B6 1.711(2) . ?
C2 B7 1.717(2) . ?
C2 B2 1.721(2) . ?
C2 B5 1.734(2) . ?
C13 C12 1.390(2) . ?
C17 C16 1.377(2) . ?
C8 C14 1.412(2) . ?
C11 C12 1.371(2) . ?
C14 C15 1.377(2) . ?
C18 C19 1.386(3) . ?
C22 C21 1.388(3) . ?
C16 C15 1.394(3) . ?
C21 C20 1.388(3) . ?
C19 C20 1.384(3) . ?
B6 B11 1.771(3) . ?
B6 B7 1.777(3) . ?
B6 B10 1.782(3) . ?
B6 B5 1.783(3) . ?
B5 B10 1.771(3) . ?
B5 B4 1.773(2) . ?
B2 B8 1.763(3) . ?
B2 B7 1.774(3) . ?
B2 B3 1.779(3) . ?
B4 B9 1.770(3) . ?
B4 B10 1.772(3) . ?
B4 B3 1.781(3) . ?
B7 B11 1.775(3) . ?
B7 B8 1.780(3) . ?
B10 B9 1.785(3) . ?
B10 B11 1.786(3) . ?
B3 B8 1.775(3) . ?
B3 B9 1.777(3) . ?
B11 B9 1.776(3) . ?
B11 B8 1.790(3) . ?
B8 B9 1.787(3) . ?

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
C7 C3 C4 120.38(14) . . ?
C7 C3 C2 117.84(14) . . ?
C4 C3 C2 121.60(13) . . ?
C13 C5 C4 118.27(14) . . ?
C13 C5 B1 119.34(14) . . ?
C4 C5 B1 122.33(14) . . ?
C10 C4 C5 119.72(14) . . ?
C10 C4 C3 118.33(14) . . ?
C5 C4 C3 121.93(14) . . ?
C11 C10 C4 118.37(14) . . ?
C11 C10 C9 121.00(14) . . ?
C4 C10 C9 120.63(14) . . ?
C3 C7 C8 122.32(15) . . ?
C8 C9 C17 118.02(15) . . ?
C8 C9 C10 118.69(14) . . ?
C17 C9 C10 123.29(15) . . ?
C22 C6 C18 116.85(15) . . ?
C22 C6 B1 118.79(14) . . ?
C18 C6 B1 124.16(15) . . ?
B1 C1 C2 114.23(12) . . ?
B1 C1 B4 123.81(14) . . ?
C2 C1 B4 110.57(12) . . ?
B1 C1 B3 125.44(13) . . ?
C2 C1 B3 110.24(12) . . ?
B4 C1 B3 62.59(10) . . ?
B1 C1 B5 114.31(13) . . ?
C2 C1 B5 61.54(9) . . ?
B4 C1 B5 62.13(10) . . ?
B3 C1 B5 113.81(12) . . ?
B1 C1 B2 117.33(13) . . ?
C2 C1 B2 60.68(10) . . ?
B4 C1 B2 113.31(13) . . ?
B3 C1 B2 61.95(10) . . ?
B5 C1 B2 113.44(12) . . ?
C3 C2 C1 118.26(12) . . ?
C3 C2 B6 121.72(13) . . ?
C1 C2 B6 110.62(12) . . ?
C3 C2 B7 120.39(13) . . ?
C1 C2 B7 111.15(12) . . ?
B6 C2 B7 62.43(10) . . ?
C3 C2 B2 116.29(12) . . ?
C1 C2 B2 61.79(10) . . ?
B6 C2 B2 113.59(12) . . ?
B7 C2 B2 62.14(10) . . ?
C3 C2 B5 118.08(13) . . ?
C1 C2 B5 60.88(9) . . ?
B6 C2 B5 62.32(10) . . ?
B7 C2 B5 113.87(12) . . ?
B2 C2 B5 113.81(12) . . ?
C12 C13 C5 121.54(15) . . ?
C16 C17 C9 120.65(16) . . ?
C9 C8 C14 120.35(15) . . ?
C9 C8 C7 119.36(14) . . ?
C14 C8 C7 120.23(15) . . ?
C12 C11 C10 121.61(15) . . ?
C15 C14 C8 120.17(17) . . ?
C19 C18 C6 121.10(17) . . ?
C21 C22 C6 122.08(16) . . ?
C17 C16 C15 120.91(16) . . ?
C11 C12 C13 119.94(16) . . ?
C20 C21 C22 119.66(18) . . ?
C14 C15 C16 119.91(16) . . ?
C20 C19 C18 120.57(16) . . ?
C19 C20 C21 119.65(17) . . ?
C5 B1 C6 122.18(15) . . ?
C5 B1 C1 116.75(14) . . ?
C6 B1 C1 120.79(14) . . ?
C2 B6 B11 105.19(13) . . ?
C2 B6 B7 58.94(10) . . ?
B11 B6 B7 60.05(11) . . ?
C2 B6 B10 105.43(12) . . ?
B11 B6 B10 60.38(11) . . ?
B7 B6 B10 108.61(13) . . ?
C2 B6 B5 59.46(10) . . ?
B11 B6 B5 108.03(13) . . ?
B7 B6 B5 108.68(13) . . ?
B10 B6 B5 59.58(10) . . ?
C1 B5 C2 57.58(9) . . ?
C1 B5 B10 105.23(12) . . ?
C2 B5 B10 104.93(13) . . ?
C1 B5 B4 58.64(9) . . ?
C2 B5 B4 104.68(12) . . ?
B10 B5 B4 60.00(10) . . ?
C1 B5 B6 104.71(12) . . ?
C2 B5 B6 58.22(10) . . ?
B10 B5 B6 60.17(10) . . ?
B4 B5 B6 107.61(13) . . ?
C2 B2 C1 57.53(9) . . ?
C2 B2 B8 105.46(13) . . ?
C1 B2 B8 105.10(13) . . ?
C2 B2 B7 58.83(10) . . ?
C1 B2 B7 105.14(12) . . ?
B8 B2 B7 60.42(11) . . ?
C2 B2 B3 104.88(12) . . ?
C1 B2 B3 58.41(10) . . ?
B8 B2 B3 60.14(11) . . ?
B7 B2 B3 108.22(13) . . ?
C1 B4 B9 105.38(13) . . ?
C1 B4 B10 105.66(12) . . ?
B9 B4 B10 60.54(11) . . ?
C1 B4 B5 59.23(9) . . ?
B9 B4 B5 108.41(13) . . ?
B10 B4 B5 59.96(10) . . ?
C1 B4 B3 58.82(10) . . ?
B9 B4 B3 60.06(11) . . ?
B10 B4 B3 108.63(14) . . ?
B5 B4 B3 108.36(12) . . ?
C2 B7 B2 59.03(10) . . ?
C2 B7 B11 104.76(13) . . ?
B2 B7 B11 107.85(13) . . ?
C2 B7 B6 58.63(10) . . ?
B2 B7 B6 107.94(13) . . ?
B11 B7 B6 59.81(11) . . ?
C2 B7 B8 104.89(13) . . ?
B2 B7 B8 59.49(11) . . ?
B11 B7 B8 60.46(11) . . ?
B6 B7 B8 108.15(13) . . ?
B5 B10 B4 60.05(10) . . ?
B5 B10 B6 60.25(10) . . ?
B4 B10 B6 107.71(13) . . ?
B5 B10 B9 107.80(13) . . ?
B4 B10 B9 59.68(11) . . ?
B6 B10 B9 107.19(13) . . ?
B5 B10 B11 107.88(13) . . ?
B4 B10 B11 107.39(14) . . ?
B6 B10 B11 59.52(11) . . ?
B9 B10 B11 59.65(11) . . ?
C1 B3 B8 105.56(12) . . ?
C1 B3 B9 104.89(13) . . ?
B8 B3 B9 60.40(11) . . ?
C1 B3 B2 59.64(10) . . ?
B8 B3 B2 59.51(11) . . ?
B9 B3 B2 107.79(13) . . ?
C1 B3 B4 58.58(10) . . ?
B8 B3 B4 108.15(14) . . ?
B9 B3 B4 59.66(11) . . ?
B2 B3 B4 108.17(12) . . ?
B6 B11 B7 60.14(10) . . ?
B6 B11 B9 108.05(14) . . ?
B7 B11 B9 108.16(14) . . ?
B6 B11 B10 60.11(11) . . ?
B7 B11 B10 108.46(13) . . ?
B9 B11 B10 60.15(11) . . ?
B6 B11 B8 107.97(13) . . ?
B7 B11 B8 59.90(11) . . ?
B9 B11 B8 60.12(11) . . ?
B10 B11 B8 108.35(14) . . ?
B2 B8 B3 60.36(11) . . ?
B2 B8 B7 60.09(10) . . ?
B3 B8 B7 108.13(13) . . ?
B2 B8 B9 108.04(14) . . ?
B3 B8 B9 59.87(11) . . ?
B7 B8 B9 107.50(14) . . ?
B2 B8 B11 107.67(13) . . ?
B3 B8 B11 107.49(14) . . ?
B7 B8 B11 59.64(11) . . ?
B9 B8 B11 59.56(11) . . ?
B4 B9 B11 107.90(13) . . ?
B4 B9 B3 60.28(11) . . ?
B11 B9 B3 107.98(13) . . ?
B4 B9 B10 59.77(11) . . ?
B11 B9 B10 60.21(11) . . ?
B3 B9 B10 108.20(13) . . ?
B4 B9 B8 108.11(13) . . ?
B11 B9 B8 60.31(11) . . ?
B3 B9 B8 59.73(11) . . ?
B10 B9 B8 108.55(13) . . ?

_refine_diff_density_max         0.308
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.051

_shelxl_version_number           2013-3


_exptl_crystal_recrystallization_method 
'vapor diffusion by dichloromethane solution into toluene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_BrBPhoCb2
_database_code_depnum_ccdc_archive 'CCDC 2331151'
loop_
_audit_author_name
_audit_author_address
'Yijie Li'
;Baylor University
United States of America
;
_audit_update_record             
;
2024-02-09 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        BrBPhoCb2
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H30 B21 Br'
_chemical_formula_weight         529.32

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'
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'
H H 0.0000 0.0000 '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                   16.7926(7)
_cell_length_b                   11.1704(4)
_cell_length_c                   14.4378(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.450(2)
_cell_angle_gamma                90
_cell_volume                     2654.34(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9992
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      28.09

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_F_000             1064
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.199
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    1.558
_shelx_estimated_absorpt_T_min   0.574
_shelx_estimated_absorpt_T_max   0.767
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.501
_exptl_absorpt_correction_T_max  0.669
_exptl_absorpt_process_details   SADabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5831
_diffrn_reflns_av_unetI/netI     0.0224
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.763
_diffrn_reflns_theta_max         27.270
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5831
_reflns_number_gt                5357
_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          'Refined as a 2-component twin.,Twin'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0389P)²+4.6575P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'DIRECT METHODS'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5831
_refine_ls_number_parameters     344
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0379
_refine_ls_wR_factor_ref         0.1013
_refine_ls_wR_factor_gt          0.0990
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.081
_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
B1 B 0.21548(16) 0.5071(2) 0.55452(19) 0.0155(5) Uani 1 1 d . . . . .
B2 B 0.24014(17) 0.5550(2) 0.36204(19) 0.0176(5) Uani 1 1 d . . . . .
H2 H 0.3061 0.5306 0.3755 0.021 Uiso 1 1 calc R U . . .
B3 B 0.16174(17) 0.4455(2) 0.3585(2) 0.0192(5) Uani 1 1 d . . . . .
H3 H 0.1756 0.3477 0.3685 0.023 Uiso 1 1 calc R U . . .
B4 B 0.08178(17) 0.5132(3) 0.4034(2) 0.0210(6) Uani 1 1 d . . . . .
H4 H 0.0432 0.4605 0.4436 0.025 Uiso 1 1 calc R U . . .
B5 B 0.10947(16) 0.6644(2) 0.4331(2) 0.0189(5) Uani 1 1 d . . . . .
H5 H 0.0898 0.7115 0.4933 0.023 Uiso 1 1 calc R U . . .
B6 B 0.11949(17) 0.7408(3) 0.3294(2) 0.0196(5) Uani 1 1 d . . . . .
H6 H 0.1058 0.8387 0.3203 0.023 Uiso 1 1 calc R U . . .
B7 B 0.04152(17) 0.6327(3) 0.3261(2) 0.0239(6) Uani 1 1 d . . . . .
H7 H -0.0242 0.6585 0.3144 0.029 Uiso 1 1 calc R U . . .
B8 B 0.07423(19) 0.4971(3) 0.2794(2) 0.0245(6) Uani 1 1 d . . . . .
H8 H 0.0300 0.4336 0.2365 0.029 Uiso 1 1 calc R U . . .
B9 B 0.17313(19) 0.5225(3) 0.2542(2) 0.0222(6) Uani 1 1 d . . . . .
H9 H 0.1947 0.4758 0.1950 0.027 Uiso 1 1 calc R U . . .
B10 B 0.19963(17) 0.6732(3) 0.28524(19) 0.0188(5) Uani 1 1 d . . . . .
H10 H 0.2389 0.7269 0.2465 0.023 Uiso 1 1 calc R U . . .
B11 B 0.09769(18) 0.6379(3) 0.2334(2) 0.0238(6) Uani 1 1 d . . . . .
H11 H 0.0691 0.6671 0.1601 0.029 Uiso 1 1 calc R U . . .
B12 B 0.35610(17) 0.3699(2) 0.5254(2) 0.0189(5) Uani 1 1 d . . . . .
H12 H 0.3396 0.3701 0.4463 0.023 Uiso 1 1 calc R U . . .
B13 B 0.38915(17) 0.5019(3) 0.5912(2) 0.0208(5) Uani 1 1 d . . . . .
H13 H 0.3953 0.5897 0.5559 0.025 Uiso 1 1 calc R U . . .
B14 B 0.35436(17) 0.4933(3) 0.6999(2) 0.0218(6) Uani 1 1 d . . . . .
H14 H 0.3374 0.5755 0.7361 0.026 Uiso 1 1 calc R U . . .
B15 B 0.30037(17) 0.3562(3) 0.7012(2) 0.0203(5) Uani 1 1 d . . . . .
H15 H 0.2473 0.3479 0.7371 0.024 Uiso 1 1 calc R U . . .
B16 B 0.36853(17) 0.2361(3) 0.6985(2) 0.0227(6) Uani 1 1 d . . . . .
H16 H 0.3611 0.1482 0.7331 0.027 Uiso 1 1 calc R U . . .
B17 B 0.40319(17) 0.2450(3) 0.5900(2) 0.0225(6) Uani 1 1 d . . . . .
H17 H 0.4188 0.1625 0.5534 0.027 Uiso 1 1 calc R U . . .
B18 B 0.45774(17) 0.3810(3) 0.5877(2) 0.0240(6) Uani 1 1 d . . . . .
H18 H 0.5097 0.3887 0.5499 0.029 Uiso 1 1 calc R U . . .
B19 B 0.45708(18) 0.4574(3) 0.6962(2) 0.0257(6) Uani 1 1 d . . . . .
H19 H 0.5089 0.5158 0.7302 0.031 Uiso 1 1 calc R U . . .
B20 B 0.40183(18) 0.3672(3) 0.7647(2) 0.0249(6) Uani 1 1 d . . . . .
H20 H 0.4170 0.3663 0.8438 0.030 Uiso 1 1 calc R U . . .
B21 B 0.46569(19) 0.2987(3) 0.6958(2) 0.0270(6) Uani 1 1 d . . . . .
H21 H 0.5233 0.2525 0.7297 0.032 Uiso 1 1 calc R U . . .
Br1 Br 0.14910(2) 0.54529(2) 0.64266(2) 0.02135(8) Uani 1 1 d . . . . .
C1 C 0.18145(14) 0.5491(2) 0.44786(16) 0.0159(4) Uani 1 1 d . . . . .
C2 C 0.20371(14) 0.6851(2) 0.40410(16) 0.0148(4) Uani 1 1 d . . . . .
C3 C 0.29783(14) 0.4368(2) 0.59691(17) 0.0162(4) Uani 1 1 d . . . . .
C4 C 0.30581(15) 0.2848(2) 0.59648(17) 0.0183(5) Uani 1 1 d . . . . .
C5 C 0.26746(14) 0.7630(2) 0.46295(16) 0.0149(4) Uani 1 1 d . . . . .
C6 C 0.25841(16) 0.8086(2) 0.55030(18) 0.0209(5) Uani 1 1 d . . . . .
H6A H 0.2101 0.7932 0.5732 0.025 Uiso 1 1 calc R U . . .
C7 C 0.32019(17) 0.8766(2) 0.60350(19) 0.0263(6) Uani 1 1 d . . . . .
H7A H 0.3143 0.9062 0.6635 0.032 Uiso 1 1 calc R U . . .
C8 C 0.39018(16) 0.9018(2) 0.57033(19) 0.0237(5) Uani 1 1 d . . . . .
H8A H 0.4323 0.9481 0.6074 0.028 Uiso 1 1 calc R U . . .
C9 C 0.39836(16) 0.8592(2) 0.4829(2) 0.0256(5) Uani 1 1 d . . . . .
H9A H 0.4456 0.8782 0.4589 0.031 Uiso 1 1 calc R U . . .
C10 C 0.33826(15) 0.7890(2) 0.43007(18) 0.0212(5) Uani 1 1 d . . . . .
H10A H 0.3452 0.7582 0.3708 0.025 Uiso 1 1 calc R U . . .
C11 C 0.23385(15) 0.2142(2) 0.54534(18) 0.0188(5) Uani 1 1 d . . . . .
C12 C 0.24339(17) 0.1416(2) 0.4690(2) 0.0256(5) Uani 1 1 d . . . . .
H12A H 0.2947 0.1371 0.4510 0.031 Uiso 1 1 calc R U . . .
C13 C 0.17860(19) 0.0767(3) 0.4200(2) 0.0321(6) Uani 1 1 d . . . . .
H13A H 0.1857 0.0269 0.3689 0.038 Uiso 1 1 calc R U . . .
C14 C 0.10311(19) 0.0838(3) 0.4450(2) 0.0343(7) Uani 1 1 d . . . . .
H14A H 0.0585 0.0395 0.4108 0.041 Uiso 1 1 calc R U . . .
C15 C 0.09304(17) 0.1555(3) 0.5194(2) 0.0325(7) Uani 1 1 d . . . . .
H15A H 0.0413 0.1606 0.5363 0.039 Uiso 1 1 calc R U . . .
C16 C 0.15797(16) 0.2204(2) 0.5701(2) 0.0241(5) Uani 1 1 d . . . . .
H16A H 0.1505 0.2691 0.6217 0.029 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
B1 C3 1.602(3) . ?
B1 C1 1.603(3) . ?
B1 Br1 1.899(3) . ?
B2 C1 1.731(4) . ?
B2 C2 1.732(4) . ?
B2 B9 1.769(4) . ?
B2 B10 1.771(4) . ?
B2 B3 1.790(4) . ?
B2 H2 1.1200 . ?
B3 C1 1.716(4) . ?
B3 B8 1.769(4) . ?
B3 B4 1.772(4) . ?
B3 B9 1.777(4) . ?
B3 H3 1.1200 . ?
B4 C1 1.717(4) . ?
B4 B8 1.778(4) . ?
B4 B5 1.781(4) . ?
B4 B7 1.783(4) . ?
B4 H4 1.1200 . ?
B5 C2 1.731(4) . ?
B5 C1 1.750(4) . ?
B5 B6 1.760(4) . ?
B5 B7 1.765(4) . ?
B5 H5 1.1200 . ?
B6 C2 1.716(3) . ?
B6 B10 1.769(4) . ?
B6 B7 1.775(4) . ?
B6 B11 1.783(4) . ?
B6 H6 1.1200 . ?
B7 B11 1.786(4) . ?
B7 B8 1.788(5) . ?
B7 H7 1.1200 . ?
B8 B11 1.782(4) . ?
B8 B9 1.792(4) . ?
B8 H8 1.1200 . ?
B9 B10 1.776(4) . ?
B9 B11 1.791(4) . ?
B9 H9 1.1200 . ?
B10 C2 1.709(4) . ?
B10 B11 1.771(4) . ?
B10 H10 1.1200 . ?
B11 H11 1.1200 . ?
B12 C3 1.727(4) . ?
B12 C4 1.737(4) . ?
B12 B18 1.769(4) . ?
B12 B17 1.775(4) . ?
B12 B13 1.782(4) . ?
B12 H12 1.1200 . ?
B13 C3 1.714(4) . ?
B13 B19 1.778(4) . ?
B13 B18 1.782(4) . ?
B13 B14 1.783(4) . ?
B13 H13 1.1200 . ?
B14 C3 1.718(4) . ?
B14 B15 1.782(4) . ?
B14 B19 1.782(4) . ?
B14 B20 1.788(4) . ?
B14 H14 1.1200 . ?
B15 C4 1.727(4) . ?
B15 C3 1.747(4) . ?
B15 B16 1.769(4) . ?
B15 B20 1.772(4) . ?
B15 H15 1.1200 . ?
B16 C4 1.720(4) . ?
B16 B20 1.778(4) . ?
B16 B17 1.778(4) . ?
B16 B21 1.783(4) . ?
B16 H16 1.1200 . ?
B17 C4 1.715(4) . ?
B17 B21 1.777(5) . ?
B17 B18 1.778(4) . ?
B17 H17 1.1200 . ?
B18 B19 1.786(5) . ?
B18 B21 1.794(4) . ?
B18 H18 1.1200 . ?
B19 B21 1.778(4) . ?
B19 B20 1.793(4) . ?
B19 H19 1.1200 . ?
B20 B21 1.774(5) . ?
B20 H20 1.1200 . ?
B21 H21 1.1200 . ?
C1 C2 1.715(3) . ?
C2 C5 1.505(3) . ?
C3 C4 1.703(3) . ?
C4 C11 1.508(3) . ?
C5 C10 1.396(3) . ?
C5 C6 1.396(3) . ?
C6 C7 1.388(4) . ?
C6 H6A 0.9500 . ?
C7 C8 1.383(4) . ?
C7 H7A 0.9500 . ?
C8 C9 1.382(4) . ?
C8 H8A 0.9500 . ?
C9 C10 1.381(4) . ?
C9 H9A 0.9500 . ?
C10 H10A 0.9500 . ?
C11 C16 1.392(4) . ?
C11 C12 1.403(4) . ?
C12 C13 1.380(4) . ?
C12 H12A 0.9500 . ?
C13 C14 1.387(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.378(5) . ?
C14 H14A 0.9500 . ?
C15 C16 1.390(4) . ?
C15 H15A 0.9500 . ?
C16 H16A 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
C3 B1 C1 128.8(2) . . ?
C3 B1 Br1 115.53(17) . . ?
C1 B1 Br1 115.67(17) . . ?
C1 B2 C2 59.35(14) . . ?
C1 B2 B9 105.63(19) . . ?
C2 B2 B9 105.88(19) . . ?
C1 B2 B10 105.91(19) . . ?
C2 B2 B10 58.37(14) . . ?
B9 B2 B10 60.24(16) . . ?
C1 B2 B3 58.32(15) . . ?
C2 B2 B3 105.93(19) . . ?
B9 B2 B3 59.90(16) . . ?
B10 B2 B3 107.6(2) . . ?
C1 B2 H2 123.4 . . ?
C2 B2 H2 123.3 . . ?
B9 B2 H2 122.5 . . ?
B10 B2 H2 122.2 . . ?
B3 B2 H2 122.4 . . ?
C1 B3 B8 106.1(2) . . ?
C1 B3 B4 58.94(15) . . ?
B8 B3 B4 60.28(17) . . ?
C1 B3 B9 105.88(19) . . ?
B8 B3 B9 60.72(17) . . ?
B4 B3 B9 108.7(2) . . ?
C1 B3 B2 59.10(14) . . ?
B8 B3 B2 107.9(2) . . ?
B4 B3 B2 107.69(19) . . ?
B9 B3 B2 59.44(16) . . ?
C1 B3 H3 123.8 . . ?
B8 B3 H3 121.7 . . ?
B4 B3 H3 121.4 . . ?
B9 B3 H3 121.8 . . ?
B2 B3 H3 122.0 . . ?
C1 B4 B3 58.90(15) . . ?
C1 B4 B8 105.6(2) . . ?
B3 B4 B8 59.76(17) . . ?
C1 B4 B5 60.00(15) . . ?
B3 B4 B5 108.22(19) . . ?
B8 B4 B5 107.6(2) . . ?
C1 B4 B7 106.24(19) . . ?
B3 B4 B7 108.1(2) . . ?
B8 B4 B7 60.27(17) . . ?
B5 B4 B7 59.34(16) . . ?
C1 B4 H4 123.4 . . ?
B3 B4 H4 121.6 . . ?
B8 B4 H4 122.4 . . ?
B5 B4 H4 121.6 . . ?
B7 B4 H4 122.1 . . ?
C2 B5 C1 59.00(14) . . ?
C2 B5 B6 58.86(15) . . ?
C1 B5 B6 106.25(19) . . ?
C2 B5 B7 106.1(2) . . ?
C1 B5 B7 105.6(2) . . ?
B6 B5 B7 60.48(16) . . ?
C2 B5 B4 105.98(19) . . ?
C1 B5 B4 58.17(15) . . ?
B6 B5 B4 108.6(2) . . ?
B7 B5 B4 60.39(17) . . ?
C2 B5 H5 123.3 . . ?
C1 B5 H5 123.7 . . ?
B6 B5 H5 121.6 . . ?
B7 B5 H5 122.3 . . ?
B4 B5 H5 122.0 . . ?
C2 B6 B5 59.72(15) . . ?
C2 B6 B10 58.70(15) . . ?
B5 B6 B10 107.93(19) . . ?
C2 B6 B7 106.34(19) . . ?
B5 B6 B7 59.88(16) . . ?
B10 B6 B7 108.0(2) . . ?
C2 B6 B11 105.7(2) . . ?
B5 B6 B11 108.0(2) . . ?
B10 B6 B11 59.83(16) . . ?
B7 B6 B11 60.25(17) . . ?
C2 B6 H6 123.5 . . ?
B5 B6 H6 121.4 . . ?
B10 B6 H6 121.8 . . ?
B7 B6 H6 121.9 . . ?
B11 B6 H6 122.2 . . ?
B5 B7 B6 59.64(16) . . ?
B5 B7 B4 60.27(16) . . ?
B6 B7 B4 107.84(19) . . ?
B5 B7 B11 107.7(2) . . ?
B6 B7 B11 60.08(17) . . ?
B4 B7 B11 107.6(2) . . ?
B5 B7 B8 107.9(2) . . ?
B6 B7 B8 107.8(2) . . ?
B4 B7 B8 59.71(17) . . ?
B11 B7 B8 59.82(18) . . ?
B5 B7 H7 121.8 . . ?
B6 B7 H7 121.8 . . ?
B4 B7 H7 121.8 . . ?
B11 B7 H7 121.9 . . ?
B8 B7 H7 121.9 . . ?
B3 B8 B4 59.96(16) . . ?
B3 B8 B11 108.2(2) . . ?
B4 B8 B11 108.0(2) . . ?
B3 B8 B7 108.1(2) . . ?
B4 B8 B7 60.02(17) . . ?
B11 B8 B7 60.03(17) . . ?
B3 B8 B9 59.87(16) . . ?
B4 B8 B9 107.7(2) . . ?
B11 B8 B9 60.14(17) . . ?
B7 B8 B9 108.0(2) . . ?
B3 B8 H8 121.7 . . ?
B4 B8 H8 121.8 . . ?
B11 B8 H8 121.6 . . ?
B7 B8 H8 121.7 . . ?
B9 B8 H8 121.8 . . ?
B2 B9 B10 59.95(15) . . ?
B2 B9 B3 60.66(15) . . ?
B10 B9 B3 107.98(19) . . ?
B2 B9 B11 107.8(2) . . ?
B10 B9 B11 59.55(16) . . ?
B3 B9 B11 107.4(2) . . ?
B2 B9 B8 107.9(2) . . ?
B10 B9 B8 107.1(2) . . ?
B3 B9 B8 59.41(16) . . ?
B11 B9 B8 59.66(17) . . ?
B2 B9 H9 121.4 . . ?
B10 B9 H9 122.1 . . ?
B3 B9 H9 121.7 . . ?
B11 B9 H9 122.2 . . ?
B8 B9 H9 122.3 . . ?
C2 B10 B6 59.10(15) . . ?
C2 B10 B2 59.68(15) . . ?
B6 B10 B2 108.51(19) . . ?
C2 B10 B11 106.5(2) . . ?
B6 B10 B11 60.47(17) . . ?
B2 B10 B11 108.5(2) . . ?
C2 B10 B9 106.56(19) . . ?
B6 B10 B9 109.0(2) . . ?
B2 B10 B9 59.81(16) . . ?
B11 B10 B9 60.63(17) . . ?
C2 B10 H10 123.3 . . ?
B6 B10 H10 121.1 . . ?
B2 B10 H10 121.4 . . ?
B11 B10 H10 121.6 . . ?
B9 B10 H10 121.6 . . ?
B10 B11 B8 107.8(2) . . ?
B10 B11 B6 59.70(16) . . ?
B8 B11 B6 107.8(2) . . ?
B10 B11 B7 107.5(2) . . ?
B8 B11 B7 60.16(18) . . ?
B6 B11 B7 59.67(17) . . ?
B10 B11 B9 59.82(16) . . ?
B8 B11 B9 60.21(17) . . ?
B6 B11 B9 107.7(2) . . ?
B7 B11 B9 108.2(2) . . ?
B10 B11 H11 122.1 . . ?
B8 B11 H11 121.6 . . ?
B6 B11 H11 122.0 . . ?
B7 B11 H11 121.8 . . ?
B9 B11 H11 121.6 . . ?
C3 B12 C4 58.89(14) . . ?
C3 B12 B18 105.6(2) . . ?
C4 B12 B18 105.7(2) . . ?
C3 B12 B17 105.75(19) . . ?
C4 B12 B17 58.46(15) . . ?
B18 B12 B17 60.22(16) . . ?
C3 B12 B13 58.44(15) . . ?
C4 B12 B13 105.89(19) . . ?
B18 B12 B13 60.24(17) . . ?
B17 B12 B13 108.1(2) . . ?
C3 B12 H12 123.7 . . ?
C4 B12 H12 123.5 . . ?
B18 B12 H12 122.5 . . ?
B17 B12 H12 122.1 . . ?
B13 B12 H12 122.0 . . ?
C3 B13 B19 105.6(2) . . ?
C3 B13 B18 105.62(19) . . ?
B19 B13 B18 60.22(18) . . ?
C3 B13 B12 59.18(15) . . ?
B19 B13 B12 107.6(2) . . ?
B18 B13 B12 59.50(16) . . ?
C3 B13 B14 58.82(15) . . ?
B19 B13 B14 60.08(17) . . ?
B18 B13 B14 108.1(2) . . ?
B12 B13 B14 107.7(2) . . ?
C3 B13 H13 123.9 . . ?
B19 B13 H13 122.2 . . ?
B18 B13 H13 122.2 . . ?
B12 B13 H13 121.9 . . ?
B14 B13 H13 121.6 . . ?
C3 B14 B15 59.85(15) . . ?
C3 B14 B19 105.2(2) . . ?
B15 B14 B19 107.7(2) . . ?
C3 B14 B13 58.59(15) . . ?
B15 B14 B13 108.1(2) . . ?
B19 B14 B13 59.82(17) . . ?
C3 B14 B20 106.0(2) . . ?
B15 B14 B20 59.50(16) . . ?
B19 B14 B20 60.29(17) . . ?
B13 B14 B20 108.2(2) . . ?
C3 B14 H14 123.8 . . ?
B15 B14 H14 121.5 . . ?
B19 B14 H14 122.4 . . ?
B13 B14 H14 121.6 . . ?
B20 B14 H14 122.0 . . ?
C4 B15 C3 58.71(14) . . ?
C4 B15 B16 58.92(16) . . ?
C3 B15 B16 106.1(2) . . ?
C4 B15 B20 105.8(2) . . ?
C3 B15 B20 105.5(2) . . ?
B16 B15 B20 60.28(17) . . ?
C4 B15 B14 105.8(2) . . ?
C3 B15 B14 58.26(15) . . ?
B16 B15 B14 108.6(2) . . ?
B20 B15 B14 60.42(17) . . ?
C4 B15 H15 123.5 . . ?
C3 B15 H15 123.8 . . ?
B16 B15 H15 121.6 . . ?
B20 B15 H15 122.5 . . ?
B14 B15 H15 121.9 . . ?
C4 B16 B15 59.32(15) . . ?
C4 B16 B20 105.9(2) . . ?
B15 B16 B20 59.94(17) . . ?
C4 B16 B17 58.69(16) . . ?
B15 B16 B17 107.6(2) . . ?
B20 B16 B17 107.7(2) . . ?
C4 B16 B21 105.4(2) . . ?
B15 B16 B21 107.6(2) . . ?
B20 B16 B21 59.76(18) . . ?
B17 B16 B21 59.89(18) . . ?
C4 B16 H16 123.8 . . ?
B15 B16 H16 121.7 . . ?
B20 B16 H16 122.2 . . ?
B17 B16 H16 121.9 . . ?
B21 B16 H16 122.5 . . ?
C4 B17 B12 59.67(15) . . ?
C4 B17 B21 105.8(2) . . ?
B12 B17 B21 108.2(2) . . ?
C4 B17 B18 106.3(2) . . ?
B12 B17 B18 59.73(16) . . ?
B21 B17 B18 60.61(17) . . ?
C4 B17 B16 58.95(15) . . ?
B12 B17 B16 108.5(2) . . ?
B21 B17 B16 60.18(17) . . ?
B18 B17 B16 108.9(2) . . ?
C4 B17 H17 123.7 . . ?
B12 B17 H17 121.4 . . ?
B21 B17 H17 122.0 . . ?
B18 B17 H17 121.7 . . ?
B16 B17 H17 121.2 . . ?
B12 B18 B17 60.05(16) . . ?
B12 B18 B13 60.25(16) . . ?
B17 B18 B13 108.0(2) . . ?
B12 B18 B19 107.8(2) . . ?
B17 B18 B19 107.4(2) . . ?
B13 B18 B19 59.77(17) . . ?
B12 B18 B21 107.7(2) . . ?
B17 B18 B21 59.69(17) . . ?
B13 B18 B21 107.5(2) . . ?
B19 B18 B21 59.56(18) . . ?
B12 B18 H18 121.6 . . ?
B17 B18 H18 121.9 . . ?
B13 B18 H18 121.8 . . ?
B19 B18 H18 122.1 . . ?
B21 B18 H18 122.2 . . ?
B13 B19 B21 108.4(2) . . ?
B13 B19 B14 60.10(16) . . ?
B21 B19 B14 107.7(2) . . ?
B13 B19 B18 60.01(17) . . ?
B21 B19 B18 60.44(18) . . ?
B14 B19 B18 108.0(2) . . ?
B13 B19 B20 108.2(2) . . ?
B21 B19 B20 59.56(18) . . ?
B14 B19 B20 60.01(17) . . ?
B18 B19 B20 108.0(2) . . ?
B13 B19 H19 121.5 . . ?
B21 B19 H19 121.7 . . ?
B14 B19 H19 121.8 . . ?
B18 B19 H19 121.6 . . ?
B20 B19 H19 121.8 . . ?
B15 B20 B21 107.8(2) . . ?
B15 B20 B16 59.79(16) . . ?
B21 B20 B16 60.26(18) . . ?
B15 B20 B14 60.07(16) . . ?
B21 B20 B14 107.7(2) . . ?
B16 B20 B14 107.9(2) . . ?
B15 B20 B19 107.7(2) . . ?
B21 B20 B19 59.79(18) . . ?
B16 B20 B19 108.0(2) . . ?
B14 B20 B19 59.69(17) . . ?
B15 B20 H20 121.9 . . ?
B21 B20 H20 121.8 . . ?
B16 B20 H20 121.6 . . ?
B14 B20 H20 121.9 . . ?
B19 B20 H20 122.0 . . ?
B20 B21 B17 107.9(2) . . ?
B20 B21 B19 60.65(18) . . ?
B17 B21 B19 107.7(2) . . ?
B20 B21 B16 59.98(18) . . ?
B17 B21 B16 59.93(17) . . ?
B19 B21 B16 108.4(2) . . ?
B20 B21 B18 108.5(2) . . ?
B17 B21 B18 59.70(17) . . ?
B19 B21 B18 60.00(18) . . ?
B16 B21 B18 108.0(2) . . ?
B20 B21 H21 121.4 . . ?
B17 B21 H21 122.1 . . ?
B19 B21 H21 121.5 . . ?
B16 B21 H21 121.6 . . ?
B18 B21 H21 121.7 . . ?
B1 C1 C2 123.44(19) . . ?
B1 C1 B3 120.26(19) . . ?
C2 C1 B3 110.11(17) . . ?
B1 C1 B4 115.24(19) . . ?
C2 C1 B4 109.67(18) . . ?
B3 C1 B4 62.16(16) . . ?
B1 C1 B2 123.63(19) . . ?
C2 C1 B2 60.38(14) . . ?
B3 C1 B2 62.58(15) . . ?
B4 C1 B2 113.10(19) . . ?
B1 C1 B5 115.97(19) . . ?
C2 C1 B5 59.95(14) . . ?
B3 C1 B5 112.31(19) . . ?
B4 C1 B5 61.83(16) . . ?
B2 C1 B5 111.28(18) . . ?
C5 C2 B10 119.61(19) . . ?
C5 C2 C1 119.14(18) . . ?
B10 C2 C1 109.47(18) . . ?
C5 C2 B6 123.36(19) . . ?
B10 C2 B6 62.20(16) . . ?
C1 C2 B6 109.89(18) . . ?
C5 C2 B5 121.49(19) . . ?
B10 C2 B5 112.12(19) . . ?
C1 C2 B5 61.04(14) . . ?
B6 C2 B5 61.41(15) . . ?
C5 C2 B2 114.95(19) . . ?
B10 C2 B2 61.95(15) . . ?
C1 C2 B2 60.28(14) . . ?
B6 C2 B2 112.87(19) . . ?
B5 C2 B2 112.11(18) . . ?
B1 C3 C4 123.34(19) . . ?
B1 C3 B13 119.09(19) . . ?
C4 C3 B13 110.56(18) . . ?
B1 C3 B14 115.9(2) . . ?
C4 C3 B14 109.83(18) . . ?
B13 C3 B14 62.59(16) . . ?
B1 C3 B12 122.1(2) . . ?
C4 C3 B12 60.83(15) . . ?
B13 C3 B12 62.38(16) . . ?
B14 C3 B12 113.30(19) . . ?
B1 C3 B15 116.95(19) . . ?
C4 C3 B15 60.06(15) . . ?
B13 C3 B15 113.02(19) . . ?
B14 C3 B15 61.89(16) . . ?
B12 C3 B15 111.88(18) . . ?
C11 C4 C3 117.86(19) . . ?
C11 C4 B17 121.2(2) . . ?
C3 C4 B17 109.57(18) . . ?
C11 C4 B16 123.3(2) . . ?
C3 C4 B16 110.34(19) . . ?
B17 C4 B16 62.36(17) . . ?
C11 C4 B15 119.6(2) . . ?
C3 C4 B15 61.23(15) . . ?
B17 C4 B15 112.6(2) . . ?
B16 C4 B15 61.76(16) . . ?
C11 C4 B12 115.7(2) . . ?
C3 C4 B12 60.28(14) . . ?
B17 C4 B12 61.88(16) . . ?
B16 C4 B12 113.10(19) . . ?
B15 C4 B12 112.40(19) . . ?
C10 C5 C6 118.9(2) . . ?
C10 C5 C2 119.2(2) . . ?
C6 C5 C2 121.9(2) . . ?
C7 C6 C5 119.8(2) . . ?
C7 C6 H6A 120.1 . . ?
C5 C6 H6A 120.1 . . ?
C8 C7 C6 120.9(2) . . ?
C8 C7 H7A 119.6 . . ?
C6 C7 H7A 119.6 . . ?
C9 C8 C7 119.4(2) . . ?
C9 C8 H8A 120.3 . . ?
C7 C8 H8A 120.3 . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9A 119.8 . . ?
C8 C9 H9A 119.8 . . ?
C9 C10 C5 120.6(2) . . ?
C9 C10 H10A 119.7 . . ?
C5 C10 H10A 119.7 . . ?
C16 C11 C12 118.9(2) . . ?
C16 C11 C4 122.3(2) . . ?
C12 C11 C4 118.8(2) . . ?
C13 C12 C11 120.4(3) . . ?
C13 C12 H12A 119.8 . . ?
C11 C12 H12A 119.8 . . ?
C12 C13 C14 120.3(3) . . ?
C12 C13 H13A 119.9 . . ?
C14 C13 H13A 119.9 . . ?
C15 C14 C13 119.8(3) . . ?
C15 C14 H14A 120.1 . . ?
C13 C14 H14A 120.1 . . ?
C14 C15 C16 120.6(3) . . ?
C14 C15 H15A 119.7 . . ?
C16 C15 H15A 119.7 . . ?
C15 C16 C11 120.1(3) . . ?
C15 C16 H16A 120.0 . . ?
C11 C16 H16A 120.0 . . ?

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
C2 B2 B3 C1 -36.95(16) . . . . ?
B9 B2 B3 C1 -136.4(2) . . . . ?
B10 B2 B3 C1 -98.2(2) . . . . ?
C1 B2 B3 B8 98.4(2) . . . . ?
C2 B2 B3 B8 61.4(2) . . . . ?
B9 B2 B3 B8 -38.0(2) . . . . ?
B10 B2 B3 B8 0.2(3) . . . . ?
C1 B2 B3 B4 34.71(18) . . . . ?
C2 B2 B3 B4 -2.2(2) . . . . ?
B9 B2 B3 B4 -101.6(2) . . . . ?
B10 B2 B3 B4 -63.5(2) . . . . ?
C1 B2 B3 B9 136.4(2) . . . . ?
C2 B2 B3 B9 99.4(2) . . . . ?
B10 B2 B3 B9 38.19(19) . . . . ?
B8 B3 B4 C1 -135.7(2) . . . . ?
B9 B3 B4 C1 -97.7(2) . . . . ?
B2 B3 B4 C1 -34.78(17) . . . . ?
C1 B3 B4 B8 135.7(2) . . . . ?
B9 B3 B4 B8 38.06(19) . . . . ?
B2 B3 B4 B8 101.0(2) . . . . ?
C1 B3 B4 B5 35.59(18) . . . . ?
B8 B3 B4 B5 -100.1(2) . . . . ?
B9 B3 B4 B5 -62.1(2) . . . . ?
B2 B3 B4 B5 0.8(3) . . . . ?
C1 B3 B4 B7 98.4(2) . . . . ?
B8 B3 B4 B7 -37.35(19) . . . . ?
B9 B3 B4 B7 0.7(3) . . . . ?
B2 B3 B4 B7 63.6(2) . . . . ?
C1 B4 B5 C2 36.07(17) . . . . ?
B3 B4 B5 C2 0.9(3) . . . . ?
B8 B4 B5 C2 -62.2(2) . . . . ?
B7 B4 B5 C2 -99.8(2) . . . . ?
B3 B4 B5 C1 -35.13(18) . . . . ?
B8 B4 B5 C1 -98.3(2) . . . . ?
B7 B4 B5 C1 -135.8(2) . . . . ?
C1 B4 B5 B6 98.0(2) . . . . ?
B3 B4 B5 B6 62.8(2) . . . . ?
B8 B4 B5 B6 -0.3(3) . . . . ?
B7 B4 B5 B6 -37.88(19) . . . . ?
C1 B4 B5 B7 135.8(2) . . . . ?
B3 B4 B5 B7 100.7(2) . . . . ?
B8 B4 B5 B7 37.6(2) . . . . ?
C1 B5 B6 C2 -36.61(17) . . . . ?
B7 B5 B6 C2 -135.7(2) . . . . ?
B4 B5 B6 C2 -97.8(2) . . . . ?
C2 B5 B6 B10 34.80(18) . . . . ?
C1 B5 B6 B10 -1.8(2) . . . . ?
B7 B5 B6 B10 -100.9(2) . . . . ?
B4 B5 B6 B10 -63.0(2) . . . . ?
C2 B5 B6 B7 135.7(2) . . . . ?
C1 B5 B6 B7 99.1(2) . . . . ?
B4 B5 B6 B7 37.84(19) . . . . ?
C2 B5 B6 B11 98.0(2) . . . . ?
C1 B5 B6 B11 61.4(2) . . . . ?
B7 B5 B6 B11 -37.6(2) . . . . ?
B4 B5 B6 B11 0.2(3) . . . . ?
C2 B5 B7 B6 -38.51(18) . . . . ?
C1 B5 B7 B6 -100.1(2) . . . . ?
B4 B5 B7 B6 -138.0(2) . . . . ?
C2 B5 B7 B4 99.5(2) . . . . ?
C1 B5 B7 B4 37.92(18) . . . . ?
B6 B5 B7 B4 138.0(2) . . . . ?
C2 B5 B7 B11 -1.1(3) . . . . ?
C1 B5 B7 B11 -62.6(2) . . . . ?
B6 B5 B7 B11 37.5(2) . . . . ?
B4 B5 B7 B11 -100.6(2) . . . . ?
C2 B5 B7 B8 62.1(2) . . . . ?
C1 B5 B7 B8 0.5(3) . . . . ?
B6 B5 B7 B8 100.6(2) . . . . ?
B4 B5 B7 B8 -37.4(2) . . . . ?
C2 B6 B7 B5 38.97(18) . . . . ?
B10 B6 B7 B5 100.7(2) . . . . ?
B11 B6 B7 B5 138.0(2) . . . . ?
C2 B6 B7 B4 1.4(3) . . . . ?
B5 B6 B7 B4 -37.60(19) . . . . ?
B10 B6 B7 B4 63.1(3) . . . . ?
B11 B6 B7 B4 100.4(2) . . . . ?
C2 B6 B7 B11 -99.1(2) . . . . ?
B5 B6 B7 B11 -138.0(2) . . . . ?
B10 B6 B7 B11 -37.36(19) . . . . ?
C2 B6 B7 B8 -61.7(2) . . . . ?
B5 B6 B7 B8 -100.7(2) . . . . ?
B10 B6 B7 B8 0.0(3) . . . . ?
B11 B6 B7 B8 37.38(19) . . . . ?
C1 B4 B7 B5 -38.93(18) . . . . ?
B3 B4 B7 B5 -100.8(2) . . . . ?
B8 B4 B7 B5 -138.0(2) . . . . ?
C1 B4 B7 B6 -1.6(3) . . . . ?
B3 B4 B7 B6 -63.5(3) . . . . ?
B8 B4 B7 B6 -100.6(2) . . . . ?
B5 B4 B7 B6 37.32(19) . . . . ?
C1 B4 B7 B11 61.8(2) . . . . ?
B3 B4 B7 B11 -0.1(3) . . . . ?
B8 B4 B7 B11 -37.24(19) . . . . ?
B5 B4 B7 B11 100.7(2) . . . . ?
C1 B4 B7 B8 99.0(2) . . . . ?
B3 B4 B7 B8 37.12(19) . . . . ?
B5 B4 B7 B8 138.0(2) . . . . ?
C1 B3 B8 B4 -38.47(18) . . . . ?
B9 B3 B8 B4 -138.0(2) . . . . ?
B2 B3 B8 B4 -100.5(2) . . . . ?
C1 B3 B8 B11 62.3(3) . . . . ?
B4 B3 B8 B11 100.7(2) . . . . ?
B9 B3 B8 B11 -37.2(2) . . . . ?
B2 B3 B8 B11 0.2(3) . . . . ?
C1 B3 B8 B7 -1.3(3) . . . . ?
B4 B3 B8 B7 37.2(2) . . . . ?
B9 B3 B8 B7 -100.7(2) . . . . ?
B2 B3 B8 B7 -63.3(3) . . . . ?
C1 B3 B8 B9 99.5(2) . . . . ?
B4 B3 B8 B9 138.0(2) . . . . ?
B2 B3 B8 B9 37.42(19) . . . . ?
C1 B4 B8 B3 38.36(18) . . . . ?
B5 B4 B8 B3 101.2(2) . . . . ?
B7 B4 B8 B3 138.4(2) . . . . ?
C1 B4 B8 B11 -62.6(3) . . . . ?
B3 B4 B8 B11 -101.0(2) . . . . ?
B5 B4 B8 B11 0.3(3) . . . . ?
B7 B4 B8 B11 37.4(2) . . . . ?
C1 B4 B8 B7 -100.0(2) . . . . ?
B3 B4 B8 B7 -138.4(2) . . . . ?
B5 B4 B8 B7 -37.17(19) . . . . ?
C1 B4 B8 B9 0.9(3) . . . . ?
B3 B4 B8 B9 -37.45(19) . . . . ?
B5 B4 B8 B9 63.8(3) . . . . ?
B7 B4 B8 B9 101.0(2) . . . . ?
B5 B7 B8 B3 0.5(3) . . . . ?
B6 B7 B8 B3 63.4(3) . . . . ?
B4 B7 B8 B3 -37.20(19) . . . . ?
B11 B7 B8 B3 100.9(2) . . . . ?
B5 B7 B8 B4 37.65(19) . . . . ?
B6 B7 B8 B4 100.6(2) . . . . ?
B11 B7 B8 B4 138.1(2) . . . . ?
B5 B7 B8 B11 -100.5(2) . . . . ?
B6 B7 B8 B11 -37.50(19) . . . . ?
B4 B7 B8 B11 -138.1(2) . . . . ?
B5 B7 B8 B9 -62.9(3) . . . . ?
B6 B7 B8 B9 0.1(3) . . . . ?
B4 B7 B8 B9 -100.5(2) . . . . ?
B11 B7 B8 B9 37.63(19) . . . . ?
C1 B2 B9 B10 99.7(2) . . . . ?
C2 B2 B9 B10 37.75(18) . . . . ?
B3 B2 B9 B10 137.2(2) . . . . ?
C1 B2 B9 B3 -37.58(18) . . . . ?
C2 B2 B9 B3 -99.5(2) . . . . ?
B10 B2 B9 B3 -137.2(2) . . . . ?
C1 B2 B9 B11 62.8(2) . . . . ?
C2 B2 B9 B11 0.9(3) . . . . ?
B10 B2 B9 B11 -36.86(19) . . . . ?
B3 B2 B9 B11 100.4(2) . . . . ?
C1 B2 B9 B8 -0.2(3) . . . . ?
C2 B2 B9 B8 -62.1(2) . . . . ?
B10 B2 B9 B8 -99.9(2) . . . . ?
B3 B2 B9 B8 37.39(19) . . . . ?
C1 B3 B9 B2 38.01(18) . . . . ?
B8 B3 B9 B2 137.8(2) . . . . ?
B4 B3 B9 B2 100.0(2) . . . . ?
C1 B3 B9 B10 -0.2(3) . . . . ?
B8 B3 B9 B10 99.7(2) . . . . ?
B4 B3 B9 B10 61.8(2) . . . . ?
B2 B3 B9 B10 -38.16(19) . . . . ?
C1 B3 B9 B11 -63.0(2) . . . . ?
B8 B3 B9 B11 36.84(19) . . . . ?
B4 B3 B9 B11 -1.0(3) . . . . ?
B2 B3 B9 B11 -101.0(2) . . . . ?
C1 B3 B9 B8 -99.8(2) . . . . ?
B4 B3 B9 B8 -37.86(19) . . . . ?
B2 B3 B9 B8 -137.8(2) . . . . ?
B3 B8 B9 B2 -37.94(19) . . . . ?
B4 B8 B9 B2 -0.5(3) . . . . ?
B11 B8 B9 B2 100.5(2) . . . . ?
B7 B8 B9 B2 62.9(2) . . . . ?
B3 B8 B9 B10 -101.1(2) . . . . ?
B4 B8 B9 B10 -63.6(3) . . . . ?
B11 B8 B9 B10 37.35(19) . . . . ?
B7 B8 B9 B10 -0.2(3) . . . . ?
B4 B8 B9 B3 37.49(19) . . . . ?
B11 B8 B9 B3 138.5(2) . . . . ?
B7 B8 B9 B3 100.9(2) . . . . ?
B3 B8 B9 B11 -138.5(2) . . . . ?
B4 B8 B9 B11 -101.0(2) . . . . ?
B7 B8 B9 B11 -37.58(19) . . . . ?
B5 B6 B10 C2 -35.23(18) . . . . ?
B7 B6 B10 C2 -98.5(2) . . . . ?
B11 B6 B10 C2 -136.1(2) . . . . ?
C2 B6 B10 B2 34.82(18) . . . . ?
B5 B6 B10 B2 -0.4(3) . . . . ?
B7 B6 B10 B2 -63.7(2) . . . . ?
B11 B6 B10 B2 -101.3(2) . . . . ?
C2 B6 B10 B11 136.1(2) . . . . ?
B5 B6 B10 B11 100.8(2) . . . . ?
B7 B6 B10 B11 37.55(19) . . . . ?
C2 B6 B10 B9 98.4(2) . . . . ?
B5 B6 B10 B9 63.1(2) . . . . ?
B7 B6 B10 B9 -0.2(3) . . . . ?
B11 B6 B10 B9 -37.72(19) . . . . ?
C1 B2 B10 C2 37.06(17) . . . . ?
B9 B2 B10 C2 136.2(2) . . . . ?
B3 B2 B10 C2 98.2(2) . . . . ?
C1 B2 B10 B6 2.5(2) . . . . ?
C2 B2 B10 B6 -34.58(17) . . . . ?
B9 B2 B10 B6 101.7(2) . . . . ?
B3 B2 B10 B6 63.6(2) . . . . ?
C1 B2 B10 B11 -61.7(2) . . . . ?
C2 B2 B10 B11 -98.7(2) . . . . ?
B9 B2 B10 B11 37.5(2) . . . . ?
B3 B2 B10 B11 -0.5(3) . . . . ?
C1 B2 B10 B9 -99.2(2) . . . . ?
C2 B2 B10 B9 -136.2(2) . . . . ?
B3 B2 B10 B9 -38.04(19) . . . . ?
B2 B9 B10 C2 -38.52(18) . . . . ?
B3 B9 B10 C2 0.0(3) . . . . ?
B11 B9 B10 C2 100.0(2) . . . . ?
B8 B9 B10 C2 62.6(2) . . . . ?
B2 B9 B10 B6 -100.9(2) . . . . ?
B3 B9 B10 B6 -62.4(2) . . . . ?
B11 B9 B10 B6 37.65(19) . . . . ?
B8 B9 B10 B6 0.3(3) . . . . ?
B3 B9 B10 B2 38.47(19) . . . . ?
B11 B9 B10 B2 138.5(2) . . . . ?
B8 B9 B10 B2 101.1(2) . . . . ?
B2 B9 B10 B11 -138.5(2) . . . . ?
B3 B9 B10 B11 -100.0(2) . . . . ?
B8 B9 B10 B11 -37.40(19) . . . . ?
C2 B10 B11 B8 -62.2(3) . . . . ?
B6 B10 B11 B8 -100.6(2) . . . . ?
B2 B10 B11 B8 0.6(3) . . . . ?
B9 B10 B11 B8 37.8(2) . . . . ?
C2 B10 B11 B6 38.38(18) . . . . ?
B2 B10 B11 B6 101.3(2) . . . . ?
B9 B10 B11 B6 138.4(2) . . . . ?
C2 B10 B11 B7 1.2(3) . . . . ?
B6 B10 B11 B7 -37.15(19) . . . . ?
B2 B10 B11 B7 64.1(3) . . . . ?
B9 B10 B11 B7 101.3(2) . . . . ?
C2 B10 B11 B9 -100.0(2) . . . . ?
B6 B10 B11 B9 -138.4(2) . . . . ?
B2 B10 B11 B9 -37.16(19) . . . . ?
B3 B8 B11 B10 -0.5(3) . . . . ?
B4 B8 B11 B10 62.9(3) . . . . ?
B7 B8 B11 B10 100.3(2) . . . . ?
B9 B8 B11 B10 -37.63(19) . . . . ?
B3 B8 B11 B6 -63.5(3) . . . . ?
B4 B8 B11 B6 -0.1(3) . . . . ?
B7 B8 B11 B6 37.30(19) . . . . ?
B9 B8 B11 B6 -100.7(2) . . . . ?
B3 B8 B11 B7 -100.9(2) . . . . ?
B4 B8 B11 B7 -37.42(19) . . . . ?
B9 B8 B11 B7 -138.0(2) . . . . ?
B3 B8 B11 B9 37.1(2) . . . . ?
B4 B8 B11 B9 100.5(2) . . . . ?
B7 B8 B11 B9 138.0(2) . . . . ?
C2 B6 B11 B10 -38.01(18) . . . . ?
B5 B6 B11 B10 -100.7(2) . . . . ?
B7 B6 B11 B10 -138.1(2) . . . . ?
C2 B6 B11 B8 62.6(2) . . . . ?
B5 B6 B11 B8 -0.1(3) . . . . ?
B10 B6 B11 B8 100.6(2) . . . . ?
B7 B6 B11 B8 -37.5(2) . . . . ?
C2 B6 B11 B7 100.1(2) . . . . ?
B5 B6 B11 B7 37.45(19) . . . . ?
B10 B6 B11 B7 138.1(2) . . . . ?
C2 B6 B11 B9 -1.0(3) . . . . ?
B5 B6 B11 B9 -63.6(2) . . . . ?
B10 B6 B11 B9 37.05(19) . . . . ?
B7 B6 B11 B9 -101.1(2) . . . . ?
B5 B7 B11 B10 -0.1(3) . . . . ?
B6 B7 B11 B10 37.17(19) . . . . ?
B4 B7 B11 B10 -63.7(3) . . . . ?
B8 B7 B11 B10 -100.9(2) . . . . ?
B5 B7 B11 B8 100.8(2) . . . . ?
B6 B7 B11 B8 138.0(2) . . . . ?
B4 B7 B11 B8 37.19(19) . . . . ?
B5 B7 B11 B6 -37.27(19) . . . . ?
B4 B7 B11 B6 -100.9(2) . . . . ?
B8 B7 B11 B6 -138.0(2) . . . . ?
B5 B7 B11 B9 63.1(3) . . . . ?
B6 B7 B11 B9 100.3(2) . . . . ?
B4 B7 B11 B9 -0.5(3) . . . . ?
B8 B7 B11 B9 -37.70(19) . . . . ?
B2 B9 B11 B10 37.04(19) . . . . ?
B3 B9 B11 B10 101.0(2) . . . . ?
B8 B9 B11 B10 137.7(2) . . . . ?
B2 B9 B11 B8 -100.7(2) . . . . ?
B10 B9 B11 B8 -137.7(2) . . . . ?
B3 B9 B11 B8 -36.73(19) . . . . ?
B2 B9 B11 B6 0.0(3) . . . . ?
B10 B9 B11 B6 -37.00(19) . . . . ?
B3 B9 B11 B6 64.0(2) . . . . ?
B8 B9 B11 B6 100.7(2) . . . . ?
B2 B9 B11 B7 -63.0(2) . . . . ?
B10 B9 B11 B7 -100.1(2) . . . . ?
B3 B9 B11 B7 0.9(3) . . . . ?
B8 B9 B11 B7 37.68(19) . . . . ?
C4 B12 B13 C3 -36.35(17) . . . . ?
B18 B12 B13 C3 -135.7(2) . . . . ?
B17 B12 B13 C3 -97.7(2) . . . . ?
C3 B12 B13 B19 98.0(2) . . . . ?
C4 B12 B13 B19 61.7(2) . . . . ?
B18 B12 B13 B19 -37.6(2) . . . . ?
B17 B12 B13 B19 0.3(3) . . . . ?
C3 B12 B13 B18 135.7(2) . . . . ?
C4 B12 B13 B18 99.3(2) . . . . ?
B17 B12 B13 B18 37.94(19) . . . . ?
C3 B12 B13 B14 34.63(18) . . . . ?
C4 B12 B13 B14 -1.7(2) . . . . ?
B18 B12 B13 B14 -101.0(2) . . . . ?
B17 B12 B13 B14 -63.1(2) . . . . ?
B19 B13 B14 C3 -135.3(2) . . . . ?
B18 B13 B14 C3 -97.6(2) . . . . ?
B12 B13 B14 C3 -34.79(18) . . . . ?
C3 B13 B14 B15 35.00(18) . . . . ?
B19 B13 B14 B15 -100.3(2) . . . . ?
B18 B13 B14 B15 -62.6(2) . . . . ?
B12 B13 B14 B15 0.2(3) . . . . ?
C3 B13 B14 B19 135.3(2) . . . . ?
B18 B13 B14 B19 37.7(2) . . . . ?
B12 B13 B14 B19 100.5(2) . . . . ?
C3 B13 B14 B20 98.0(2) . . . . ?
B19 B13 B14 B20 -37.36(19) . . . . ?
B18 B13 B14 B20 0.3(3) . . . . ?
B12 B13 B14 B20 63.2(2) . . . . ?
C3 B14 B15 C4 35.87(17) . . . . ?
B19 B14 B15 C4 -61.8(2) . . . . ?
B13 B14 B15 C4 1.4(3) . . . . ?
B20 B14 B15 C4 -99.5(2) . . . . ?
B19 B14 B15 C3 -97.7(2) . . . . ?
B13 B14 B15 C3 -34.47(18) . . . . ?
B20 B14 B15 C3 -135.4(2) . . . . ?
C3 B14 B15 B16 97.8(2) . . . . ?
B19 B14 B15 B16 0.1(3) . . . . ?
B13 B14 B15 B16 63.3(2) . . . . ?
B20 B14 B15 B16 -37.6(2) . . . . ?
C3 B14 B15 B20 135.4(2) . . . . ?
B19 B14 B15 B20 37.7(2) . . . . ?
B13 B14 B15 B20 100.9(2) . . . . ?
C3 B15 B16 C4 -36.38(17) . . . . ?
B20 B15 B16 C4 -135.3(2) . . . . ?
B14 B15 B16 C4 -97.7(2) . . . . ?
C4 B15 B16 B20 135.3(2) . . . . ?
C3 B15 B16 B20 98.9(2) . . . . ?
B14 B15 B16 B20 37.6(2) . . . . ?
C4 B15 B16 B17 34.64(18) . . . . ?
C3 B15 B16 B17 -1.7(3) . . . . ?
B20 B15 B16 B17 -100.6(2) . . . . ?
B14 B15 B16 B17 -63.0(2) . . . . ?
C4 B15 B16 B21 97.8(2) . . . . ?
C3 B15 B16 B21 61.4(2) . . . . ?
B20 B15 B16 B21 -37.5(2) . . . . ?
B14 B15 B16 B21 0.1(3) . . . . ?
C3 B12 B17 C4 36.58(18) . . . . ?
B18 B12 B17 C4 135.8(2) . . . . ?
B13 B12 B17 C4 97.9(2) . . . . ?
C3 B12 B17 B21 -61.5(2) . . . . ?
C4 B12 B17 B21 -98.0(2) . . . . ?
B18 B12 B17 B21 37.8(2) . . . . ?
B13 B12 B17 B21 -0.1(3) . . . . ?
C3 B12 B17 B18 -99.3(2) . . . . ?
C4 B12 B17 B18 -135.8(2) . . . . ?
B13 B12 B17 B18 -37.9(2) . . . . ?
C3 B12 B17 B16 2.3(3) . . . . ?
C4 B12 B17 B16 -34.27(18) . . . . ?
B18 B12 B17 B16 101.6(2) . . . . ?
B13 B12 B17 B16 63.6(2) . . . . ?
B15 B16 B17 C4 -34.91(18) . . . . ?
B20 B16 B17 C4 -98.1(2) . . . . ?
B21 B16 B17 C4 -135.4(2) . . . . ?
C4 B16 B17 B12 34.56(18) . . . . ?
B15 B16 B17 B12 -0.3(3) . . . . ?
B20 B16 B17 B12 -63.6(2) . . . . ?
B21 B16 B17 B12 -100.8(2) . . . . ?
C4 B16 B17 B21 135.4(2) . . . . ?
B15 B16 B17 B21 100.5(2) . . . . ?
B20 B16 B17 B21 37.22(19) . . . . ?
C4 B16 B17 B18 98.0(2) . . . . ?
B15 B16 B17 B18 63.1(2) . . . . ?
B20 B16 B17 B18 -0.1(3) . . . . ?
B21 B16 B17 B18 -37.4(2) . . . . ?
C3 B12 B18 B17 99.5(2) . . . . ?
C4 B12 B18 B17 38.08(19) . . . . ?
B13 B12 B18 B17 137.7(2) . . . . ?
C3 B12 B18 B13 -38.20(18) . . . . ?
C4 B12 B18 B13 -99.6(2) . . . . ?
B17 B12 B18 B13 -137.7(2) . . . . ?
C3 B12 B18 B19 -0.7(3) . . . . ?
C4 B12 B18 B19 -62.1(2) . . . . ?
B17 B12 B18 B19 -100.2(2) . . . . ?
B13 B12 B18 B19 37.51(19) . . . . ?
C3 B12 B18 B21 62.2(2) . . . . ?
C4 B12 B18 B21 0.8(3) . . . . ?
B17 B12 B18 B21 -37.3(2) . . . . ?
B13 B12 B18 B21 100.4(2) . . . . ?
C4 B17 B18 B12 -38.78(19) . . . . ?
B21 B17 B18 B12 -138.1(2) . . . . ?
B16 B17 B18 B12 -100.9(2) . . . . ?
C4 B17 B18 B13 -0.9(3) . . . . ?
B12 B17 B18 B13 37.9(2) . . . . ?
B21 B17 B18 B13 -100.1(2) . . . . ?
B16 B17 B18 B13 -63.0(3) . . . . ?
C4 B17 B18 B19 62.2(2) . . . . ?
B12 B17 B18 B19 101.0(2) . . . . ?
B21 B17 B18 B19 -37.1(2) . . . . ?
B16 B17 B18 B19 0.1(3) . . . . ?
C4 B17 B18 B21 99.3(2) . . . . ?
B12 B17 B18 B21 138.1(2) . . . . ?
B16 B17 B18 B21 37.2(2) . . . . ?
C3 B13 B18 B12 38.56(18) . . . . ?
B19 B13 B18 B12 137.9(2) . . . . ?
B14 B13 B18 B12 100.2(2) . . . . ?
C3 B13 B18 B17 0.7(3) . . . . ?
B19 B13 B18 B17 100.0(2) . . . . ?
B12 B13 B18 B17 -37.8(2) . . . . ?
B14 B13 B18 B17 62.4(3) . . . . ?
C3 B13 B18 B19 -99.3(2) . . . . ?
B12 B13 B18 B19 -137.9(2) . . . . ?
B14 B13 B18 B19 -37.62(19) . . . . ?
C3 B13 B18 B21 -62.3(2) . . . . ?
B19 B13 B18 B21 37.0(2) . . . . ?
B12 B13 B18 B21 -100.8(2) . . . . ?
B14 B13 B18 B21 -0.6(3) . . . . ?
C3 B13 B19 B21 61.7(3) . . . . ?
B18 B13 B19 B21 -37.7(2) . . . . ?
B12 B13 B19 B21 -0.3(3) . . . . ?
B14 B13 B19 B21 100.3(2) . . . . ?
C3 B13 B19 B14 -38.64(19) . . . . ?
B18 B13 B19 B14 -138.0(2) . . . . ?
B12 B13 B19 B14 -100.6(2) . . . . ?
C3 B13 B19 B18 99.3(2) . . . . ?
B12 B13 B19 B18 37.33(19) . . . . ?
B14 B13 B19 B18 138.0(2) . . . . ?
C3 B13 B19 B20 -1.4(3) . . . . ?
B18 B13 B19 B20 -100.7(2) . . . . ?
B12 B13 B19 B20 -63.4(3) . . . . ?
B14 B13 B19 B20 37.2(2) . . . . ?
C3 B14 B19 B13 38.45(18) . . . . ?
B15 B14 B19 B13 101.1(2) . . . . ?
B20 B14 B19 B13 138.4(2) . . . . ?
C3 B14 B19 B21 -63.0(3) . . . . ?
B15 B14 B19 B21 -0.3(3) . . . . ?
B13 B14 B19 B21 -101.4(2) . . . . ?
B20 B14 B19 B21 37.0(2) . . . . ?
C3 B14 B19 B18 0.9(3) . . . . ?
B15 B14 B19 B18 63.5(3) . . . . ?
B13 B14 B19 B18 -37.56(19) . . . . ?
B20 B14 B19 B18 100.9(2) . . . . ?
C3 B14 B19 B20 -100.0(2) . . . . ?
B15 B14 B19 B20 -37.3(2) . . . . ?
B13 B14 B19 B20 -138.4(2) . . . . ?
B12 B18 B19 B13 -37.73(19) . . . . ?
B17 B18 B19 B13 -101.1(2) . . . . ?
B21 B18 B19 B13 -138.2(2) . . . . ?
B12 B18 B19 B21 100.5(2) . . . . ?
B17 B18 B19 B21 37.14(19) . . . . ?
B13 B18 B19 B21 138.2(2) . . . . ?
B12 B18 B19 B14 -0.1(3) . . . . ?
B17 B18 B19 B14 -63.5(3) . . . . ?
B13 B18 B19 B14 37.60(19) . . . . ?
B21 B18 B19 B14 -100.6(2) . . . . ?
B12 B18 B19 B20 63.3(2) . . . . ?
B17 B18 B19 B20 0.0(3) . . . . ?
B13 B18 B19 B20 101.1(2) . . . . ?
B21 B18 B19 B20 -37.15(19) . . . . ?
C4 B15 B20 B21 -1.0(3) . . . . ?
C3 B15 B20 B21 -62.2(2) . . . . ?
B16 B15 B20 B21 37.8(2) . . . . ?
B14 B15 B20 B21 -100.5(2) . . . . ?
C4 B15 B20 B16 -38.77(18) . . . . ?
C3 B15 B20 B16 -100.0(2) . . . . ?
B14 B15 B20 B16 -138.3(2) . . . . ?
C4 B15 B20 B14 99.5(2) . . . . ?
C3 B15 B20 B14 38.32(19) . . . . ?
B16 B15 B20 B14 138.3(2) . . . . ?
C4 B15 B20 B19 62.1(3) . . . . ?
C3 B15 B20 B19 0.9(3) . . . . ?
B16 B15 B20 B19 100.9(2) . . . . ?
B14 B15 B20 B19 -37.4(2) . . . . ?
C4 B16 B20 B15 38.98(19) . . . . ?
B17 B16 B20 B15 100.5(2) . . . . ?
B21 B16 B20 B15 137.8(2) . . . . ?
C4 B16 B20 B21 -98.8(2) . . . . ?
B15 B16 B20 B21 -137.8(2) . . . . ?
B17 B16 B20 B21 -37.28(19) . . . . ?
C4 B16 B20 B14 1.7(3) . . . . ?
B15 B16 B20 B14 -37.3(2) . . . . ?
B17 B16 B20 B14 63.2(3) . . . . ?
B21 B16 B20 B14 100.5(2) . . . . ?
C4 B16 B20 B19 -61.4(2) . . . . ?
B15 B16 B20 B19 -100.4(2) . . . . ?
B17 B16 B20 B19 0.1(3) . . . . ?
B21 B16 B20 B19 37.4(2) . . . . ?
C3 B14 B20 B15 -39.20(19) . . . . ?
B19 B14 B20 B15 -137.9(2) . . . . ?
B13 B14 B20 B15 -100.8(2) . . . . ?
C3 B14 B20 B21 61.6(2) . . . . ?
B15 B14 B20 B21 100.8(2) . . . . ?
B19 B14 B20 B21 -37.1(2) . . . . ?
B13 B14 B20 B21 0.1(3) . . . . ?
C3 B14 B20 B16 -2.0(3) . . . . ?
B15 B14 B20 B16 37.2(2) . . . . ?
B19 B14 B20 B16 -100.7(2) . . . . ?
B13 B14 B20 B16 -63.6(3) . . . . ?
C3 B14 B20 B19 98.7(2) . . . . ?
B15 B14 B20 B19 137.9(2) . . . . ?
B13 B14 B20 B19 37.2(2) . . . . ?
B13 B19 B20 B15 0.3(3) . . . . ?
B21 B19 B20 B15 -100.8(2) . . . . ?
B14 B19 B20 B15 37.6(2) . . . . ?
B18 B19 B20 B15 -63.2(3) . . . . ?
B13 B19 B20 B21 101.0(2) . . . . ?
B14 B19 B20 B21 138.3(2) . . . . ?
B18 B19 B20 B21 37.5(2) . . . . ?
B13 B19 B20 B16 63.4(3) . . . . ?
B21 B19 B20 B16 -37.6(2) . . . . ?
B14 B19 B20 B16 100.7(2) . . . . ?
B18 B19 B20 B16 -0.1(3) . . . . ?
B13 B19 B20 B14 -37.3(2) . . . . ?
B21 B19 B20 B14 -138.3(2) . . . . ?
B18 B19 B20 B14 -100.8(2) . . . . ?
B15 B20 B21 B17 -0.2(3) . . . . ?
B16 B20 B21 B17 37.35(19) . . . . ?
B14 B20 B21 B17 -63.6(3) . . . . ?
B19 B20 B21 B17 -100.7(2) . . . . ?
B15 B20 B21 B19 100.5(2) . . . . ?
B16 B20 B21 B19 138.0(2) . . . . ?
B14 B20 B21 B19 37.0(2) . . . . ?
B15 B20 B21 B16 -37.57(19) . . . . ?
B14 B20 B21 B16 -101.0(2) . . . . ?
B19 B20 B21 B16 -138.0(2) . . . . ?
B15 B20 B21 B18 63.0(3) . . . . ?
B16 B20 B21 B18 100.6(2) . . . . ?
B14 B20 B21 B18 -0.4(3) . . . . ?
B19 B20 B21 B18 -37.5(2) . . . . ?
C4 B17 B21 B20 1.4(3) . . . . ?
B12 B17 B21 B20 64.0(3) . . . . ?
B18 B17 B21 B20 101.4(2) . . . . ?
B16 B17 B21 B20 -37.4(2) . . . . ?
C4 B17 B21 B19 -62.7(3) . . . . ?
B12 B17 B21 B19 -0.1(3) . . . . ?
B18 B17 B21 B19 37.4(2) . . . . ?
B16 B17 B21 B19 -101.4(2) . . . . ?
C4 B17 B21 B16 38.72(18) . . . . ?
B12 B17 B21 B16 101.4(2) . . . . ?
B18 B17 B21 B16 138.8(2) . . . . ?
C4 B17 B21 B18 -100.1(2) . . . . ?
B12 B17 B21 B18 -37.41(19) . . . . ?
B16 B17 B21 B18 -138.8(2) . . . . ?
B13 B19 B21 B20 -100.8(2) . . . . ?
B14 B19 B21 B20 -37.2(2) . . . . ?
B18 B19 B21 B20 -138.2(2) . . . . ?
B13 B19 B21 B17 0.2(3) . . . . ?
B14 B19 B21 B17 63.8(3) . . . . ?
B18 B19 B21 B17 -37.2(2) . . . . ?
B20 B19 B21 B17 101.0(2) . . . . ?
B13 B19 B21 B16 -63.2(3) . . . . ?
B14 B19 B21 B16 0.4(3) . . . . ?
B18 B19 B21 B16 -100.6(2) . . . . ?
B20 B19 B21 B16 37.6(2) . . . . ?
B13 B19 B21 B18 37.5(2) . . . . ?
B14 B19 B21 B18 101.0(2) . . . . ?
B20 B19 B21 B18 138.2(2) . . . . ?
C4 B16 B21 B20 99.7(2) . . . . ?
B15 B16 B21 B20 37.6(2) . . . . ?
B17 B16 B21 B20 138.2(2) . . . . ?
C4 B16 B21 B17 -38.50(19) . . . . ?
B15 B16 B21 B17 -100.6(2) . . . . ?
B20 B16 B21 B17 -138.2(2) . . . . ?
C4 B16 B21 B19 61.8(3) . . . . ?
B15 B16 B21 B19 -0.3(3) . . . . ?
B20 B16 B21 B19 -37.9(2) . . . . ?
B17 B16 B21 B19 100.3(2) . . . . ?
C4 B16 B21 B18 -1.8(3) . . . . ?
B15 B16 B21 B18 -63.9(3) . . . . ?
B20 B16 B21 B18 -101.4(2) . . . . ?
B17 B16 B21 B18 36.7(2) . . . . ?
B12 B18 B21 B20 -62.9(3) . . . . ?
B17 B18 B21 B20 -100.4(2) . . . . ?
B13 B18 B21 B20 0.6(3) . . . . ?
B19 B18 B21 B20 37.8(2) . . . . ?
B12 B18 B21 B17 37.4(2) . . . . ?
B13 B18 B21 B17 101.0(2) . . . . ?
B19 B18 B21 B17 138.1(2) . . . . ?
B12 B18 B21 B19 -100.7(2) . . . . ?
B17 B18 B21 B19 -138.1(2) . . . . ?
B13 B18 B21 B19 -37.1(2) . . . . ?
B12 B18 B21 B16 0.6(3) . . . . ?
B17 B18 B21 B16 -36.8(2) . . . . ?
B13 B18 B21 B16 64.1(3) . . . . ?
B19 B18 B21 B16 101.3(2) . . . . ?
C3 B1 C1 C2 -89.5(3) . . . . ?
Br1 B1 C1 C2 90.7(2) . . . . ?
C3 B1 C1 B3 60.1(3) . . . . ?
Br1 B1 C1 B3 -119.7(2) . . . . ?
C3 B1 C1 B4 131.2(2) . . . . ?
Br1 B1 C1 B4 -48.5(3) . . . . ?
C3 B1 C1 B2 -15.3(4) . . . . ?
Br1 B1 C1 B2 164.90(17) . . . . ?
C3 B1 C1 B5 -159.3(2) . . . . ?
Br1 B1 C1 B5 20.9(3) . . . . ?
B8 B3 C1 B1 143.6(2) . . . . ?
B4 B3 C1 B1 104.5(2) . . . . ?
B9 B3 C1 B1 -153.0(2) . . . . ?
B2 B3 C1 B1 -114.8(2) . . . . ?
B8 B3 C1 C2 -63.1(2) . . . . ?
B4 B3 C1 C2 -102.2(2) . . . . ?
B9 B3 C1 C2 0.3(2) . . . . ?
B2 B3 C1 C2 38.46(17) . . . . ?
B8 B3 C1 B4 39.11(19) . . . . ?
B9 B3 C1 B4 102.5(2) . . . . ?
B2 B3 C1 B4 140.7(2) . . . . ?
B8 B3 C1 B2 -101.6(2) . . . . ?
B4 B3 C1 B2 -140.7(2) . . . . ?
B9 B3 C1 B2 -38.16(18) . . . . ?
B8 B3 C1 B5 1.6(3) . . . . ?
B4 B3 C1 B5 -37.46(19) . . . . ?
B9 B3 C1 B5 65.1(2) . . . . ?
B2 B3 C1 B5 103.2(2) . . . . ?
B3 B4 C1 B1 -112.4(2) . . . . ?
B8 B4 C1 B1 -151.2(2) . . . . ?
B5 B4 C1 B1 107.3(2) . . . . ?
B7 B4 C1 B1 145.9(2) . . . . ?
B3 B4 C1 C2 102.95(19) . . . . ?
B8 B4 C1 C2 64.2(2) . . . . ?
B5 B4 C1 C2 -37.38(18) . . . . ?
B7 B4 C1 C2 1.2(3) . . . . ?
B8 B4 C1 B3 -38.77(19) . . . . ?
B5 B4 C1 B3 -140.3(2) . . . . ?
B7 B4 C1 B3 -101.7(2) . . . . ?
B3 B4 C1 B2 37.68(19) . . . . ?
B8 B4 C1 B2 -1.1(3) . . . . ?
B5 B4 C1 B2 -102.7(2) . . . . ?
B7 B4 C1 B2 -64.0(2) . . . . ?
B3 B4 C1 B5 140.3(2) . . . . ?
B8 B4 C1 B5 101.6(2) . . . . ?
B7 B4 C1 B5 38.62(19) . . . . ?
C2 B2 C1 B1 -112.5(2) . . . . ?
B9 B2 C1 B1 148.0(2) . . . . ?
B10 B2 C1 B1 -149.1(2) . . . . ?
B3 B2 C1 B1 109.7(2) . . . . ?
B9 B2 C1 C2 -99.5(2) . . . . ?
B10 B2 C1 C2 -36.61(17) . . . . ?
B3 B2 C1 C2 -137.79(19) . . . . ?
C2 B2 C1 B3 137.79(19) . . . . ?
B9 B2 C1 B3 38.32(18) . . . . ?
B10 B2 C1 B3 101.2(2) . . . . ?
C2 B2 C1 B4 100.3(2) . . . . ?
B9 B2 C1 B4 0.8(3) . . . . ?
B10 B2 C1 B4 63.7(2) . . . . ?
B3 B2 C1 B4 -37.51(19) . . . . ?
C2 B2 C1 B5 32.90(18) . . . . ?
B9 B2 C1 B5 -66.6(2) . . . . ?
B10 B2 C1 B5 -3.7(2) . . . . ?
B3 B2 C1 B5 -104.9(2) . . . . ?
C2 B5 C1 B1 115.2(2) . . . . ?
B6 B5 C1 B1 151.8(2) . . . . ?
B7 B5 C1 B1 -145.0(2) . . . . ?
B4 B5 C1 B1 -106.1(2) . . . . ?
B6 B5 C1 C2 36.54(17) . . . . ?
B7 B5 C1 C2 99.7(2) . . . . ?
B4 B5 C1 C2 138.67(19) . . . . ?
C2 B5 C1 B3 -101.1(2) . . . . ?
B6 B5 C1 B3 -64.5(2) . . . . ?
B7 B5 C1 B3 -1.4(3) . . . . ?
B4 B5 C1 B3 37.60(19) . . . . ?
C2 B5 C1 B4 -138.67(19) . . . . ?
B6 B5 C1 B4 -102.1(2) . . . . ?
B7 B5 C1 B4 -38.96(19) . . . . ?
C2 B5 C1 B2 -33.06(18) . . . . ?
B6 B5 C1 B2 3.5(2) . . . . ?
B7 B5 C1 B2 66.6(2) . . . . ?
B4 B5 C1 B2 105.6(2) . . . . ?
B6 B10 C2 C5 -114.5(2) . . . . ?
B2 B10 C2 C5 104.3(2) . . . . ?
B11 B10 C2 C5 -153.6(2) . . . . ?
B9 B10 C2 C5 142.9(2) . . . . ?
B6 B10 C2 C1 102.80(19) . . . . ?
B2 B10 C2 C1 -38.35(17) . . . . ?
B11 B10 C2 C1 63.8(2) . . . . ?
B9 B10 C2 C1 0.2(2) . . . . ?
B2 B10 C2 B6 -141.1(2) . . . . ?
B11 B10 C2 B6 -39.02(19) . . . . ?
B9 B10 C2 B6 -102.6(2) . . . . ?
B6 B10 C2 B5 37.04(19) . . . . ?
B2 B10 C2 B5 -104.1(2) . . . . ?
B11 B10 C2 B5 -2.0(3) . . . . ?
B9 B10 C2 B5 -65.5(2) . . . . ?
B6 B10 C2 B2 141.1(2) . . . . ?
B11 B10 C2 B2 102.1(2) . . . . ?
B9 B10 C2 B2 38.58(18) . . . . ?
B1 C1 C2 C5 9.1(3) . . . . ?
B3 C1 C2 C5 -143.2(2) . . . . ?
B4 C1 C2 C5 150.2(2) . . . . ?
B2 C1 C2 C5 -103.8(2) . . . . ?
B5 C1 C2 C5 112.0(2) . . . . ?
B1 C1 C2 B10 151.9(2) . . . . ?
B3 C1 C2 B10 -0.3(2) . . . . ?
B4 C1 C2 B10 -66.9(2) . . . . ?
B2 C1 C2 B10 39.09(18) . . . . ?
B5 C1 C2 B10 -105.1(2) . . . . ?
B1 C1 C2 B6 -141.5(2) . . . . ?
B3 C1 C2 B6 66.2(2) . . . . ?
B4 C1 C2 B6 -0.4(2) . . . . ?
B2 C1 C2 B6 105.6(2) . . . . ?
B5 C1 C2 B6 -38.59(18) . . . . ?
B1 C1 C2 B5 -103.0(2) . . . . ?
B3 C1 C2 B5 104.8(2) . . . . ?
B4 C1 C2 B5 38.19(19) . . . . ?
B2 C1 C2 B5 144.21(19) . . . . ?
B1 C1 C2 B2 112.8(2) . . . . ?
B3 C1 C2 B2 -39.43(18) . . . . ?
B4 C1 C2 B2 -106.0(2) . . . . ?
B5 C1 C2 B2 -144.21(19) . . . . ?
B5 B6 C2 C5 -110.7(2) . . . . ?
B10 B6 C2 C5 108.8(2) . . . . ?
B7 B6 C2 C5 -149.7(2) . . . . ?
B11 B6 C2 C5 147.3(2) . . . . ?
B5 B6 C2 B10 140.5(2) . . . . ?
B7 B6 C2 B10 101.5(2) . . . . ?
B11 B6 C2 B10 38.54(18) . . . . ?
B5 B6 C2 C1 38.42(18) . . . . ?
B10 B6 C2 C1 -102.12(19) . . . . ?
B7 B6 C2 C1 -0.6(2) . . . . ?
B11 B6 C2 C1 -63.6(2) . . . . ?
B10 B6 C2 B5 -140.5(2) . . . . ?
B7 B6 C2 B5 -39.05(19) . . . . ?
B11 B6 C2 B5 -102.0(2) . . . . ?
B5 B6 C2 B2 103.6(2) . . . . ?
B10 B6 C2 B2 -36.93(19) . . . . ?
B7 B6 C2 B2 64.6(2) . . . . ?
B11 B6 C2 B2 1.6(3) . . . . ?
C1 B5 C2 C5 -108.3(2) . . . . ?
B6 B5 C2 C5 113.6(2) . . . . ?
B7 B5 C2 C5 152.9(2) . . . . ?
B4 B5 C2 C5 -144.0(2) . . . . ?
C1 B5 C2 B10 100.7(2) . . . . ?
B6 B5 C2 B10 -37.36(19) . . . . ?
B7 B5 C2 B10 1.9(3) . . . . ?
B4 B5 C2 B10 65.0(2) . . . . ?
B6 B5 C2 C1 -138.09(19) . . . . ?
B7 B5 C2 C1 -98.8(2) . . . . ?
B4 B5 C2 C1 -35.71(17) . . . . ?
C1 B5 C2 B6 138.09(19) . . . . ?
B7 B5 C2 B6 39.28(19) . . . . ?
B4 B5 C2 B6 102.4(2) . . . . ?
C1 B5 C2 B2 33.24(18) . . . . ?
B6 B5 C2 B2 -104.9(2) . . . . ?
B7 B5 C2 B2 -65.6(2) . . . . ?
B4 B5 C2 B2 -2.5(2) . . . . ?
C1 B2 C2 C5 110.7(2) . . . . ?
B9 B2 C2 C5 -150.3(2) . . . . ?
B10 B2 C2 C5 -111.7(2) . . . . ?
B3 B2 C2 C5 147.1(2) . . . . ?
C1 B2 C2 B10 -137.65(19) . . . . ?
B9 B2 C2 B10 -38.62(18) . . . . ?
B3 B2 C2 B10 -101.2(2) . . . . ?
B9 B2 C2 C1 99.0(2) . . . . ?
B10 B2 C2 C1 137.65(19) . . . . ?
B3 B2 C2 C1 36.48(16) . . . . ?
C1 B2 C2 B6 -100.6(2) . . . . ?
B9 B2 C2 B6 -1.6(2) . . . . ?
B10 B2 C2 B6 37.03(19) . . . . ?
B3 B2 C2 B6 -64.1(2) . . . . ?
C1 B2 C2 B5 -33.52(18) . . . . ?
B9 B2 C2 B5 65.5(2) . . . . ?
B10 B2 C2 B5 104.1(2) . . . . ?
B3 B2 C2 B5 3.0(2) . . . . ?
C1 B1 C3 C4 -86.2(3) . . . . ?
Br1 B1 C3 C4 93.5(2) . . . . ?
C1 B1 C3 B13 61.7(3) . . . . ?
Br1 B1 C3 B13 -118.6(2) . . . . ?
C1 B1 C3 B14 133.3(2) . . . . ?
Br1 B1 C3 B14 -46.9(3) . . . . ?
C1 B1 C3 B12 -12.2(4) . . . . ?
Br1 B1 C3 B12 167.53(17) . . . . ?
C1 B1 C3 B15 -156.6(2) . . . . ?
Br1 B1 C3 B15 23.2(3) . . . . ?
B19 B13 C3 B1 145.2(2) . . . . ?
B18 B13 C3 B1 -152.0(2) . . . . ?
B12 B13 C3 B1 -113.3(2) . . . . ?
B14 B13 C3 B1 106.0(2) . . . . ?
B19 B13 C3 C4 -63.1(2) . . . . ?
B18 B13 C3 C4 -0.3(3) . . . . ?
B12 B13 C3 C4 38.39(18) . . . . ?
B14 B13 C3 C4 -102.3(2) . . . . ?
B19 B13 C3 B14 39.2(2) . . . . ?
B18 B13 C3 B14 102.0(2) . . . . ?
B12 B13 C3 B14 140.7(2) . . . . ?
B19 B13 C3 B12 -101.5(2) . . . . ?
B18 B13 C3 B12 -38.71(19) . . . . ?
B14 B13 C3 B12 -140.7(2) . . . . ?
B19 B13 C3 B15 2.1(3) . . . . ?
B18 B13 C3 B15 64.9(3) . . . . ?
B12 B13 C3 B15 103.6(2) . . . . ?
B14 B13 C3 B15 -37.2(2) . . . . ?
B15 B14 C3 B1 108.2(2) . . . . ?
B19 B14 C3 B1 -149.9(2) . . . . ?
B13 B14 C3 B1 -110.9(2) . . . . ?
B20 B14 C3 B1 147.2(2) . . . . ?
B15 B14 C3 C4 -37.43(19) . . . . ?
B19 B14 C3 C4 64.5(2) . . . . ?
B13 B14 C3 C4 103.5(2) . . . . ?
B20 B14 C3 C4 1.6(3) . . . . ?
B15 B14 C3 B13 -140.9(2) . . . . ?
B19 B14 C3 B13 -39.04(19) . . . . ?
B20 B14 C3 B13 -101.9(2) . . . . ?
B15 B14 C3 B12 -103.3(2) . . . . ?
B19 B14 C3 B12 -1.4(3) . . . . ?
B13 B14 C3 B12 37.64(19) . . . . ?
B20 B14 C3 B12 -64.3(2) . . . . ?
B19 B14 C3 B15 101.9(2) . . . . ?
B13 B14 C3 B15 140.9(2) . . . . ?
B20 B14 C3 B15 39.04(19) . . . . ?
C4 B12 C3 B1 -113.1(2) . . . . ?
B18 B12 C3 B1 147.7(2) . . . . ?
B17 B12 C3 B1 -149.5(2) . . . . ?
B13 B12 C3 B1 108.6(2) . . . . ?
B18 B12 C3 C4 -99.2(2) . . . . ?
B17 B12 C3 C4 -36.39(17) . . . . ?
B13 B12 C3 C4 -138.2(2) . . . . ?
C4 B12 C3 B13 138.2(2) . . . . ?
B18 B12 C3 B13 39.06(18) . . . . ?
B17 B12 C3 B13 101.9(2) . . . . ?
C4 B12 C3 B14 100.5(2) . . . . ?
B18 B12 C3 B14 1.3(3) . . . . ?
B17 B12 C3 B14 64.1(2) . . . . ?
B13 B12 C3 B14 -37.72(19) . . . . ?
C4 B12 C3 B15 32.85(18) . . . . ?
B18 B12 C3 B15 -66.3(2) . . . . ?
B17 B12 C3 B15 -3.5(3) . . . . ?
B13 B12 C3 B15 -105.4(2) . . . . ?
C4 B15 C3 B1 114.8(2) . . . . ?
B16 B15 C3 B1 151.2(2) . . . . ?
B20 B15 C3 B1 -145.9(2) . . . . ?
B14 B15 C3 B1 -106.5(2) . . . . ?
B16 B15 C3 C4 36.48(18) . . . . ?
B20 B15 C3 C4 99.4(2) . . . . ?
B14 B15 C3 C4 138.7(2) . . . . ?
C4 B15 C3 B13 -101.3(2) . . . . ?
B16 B15 C3 B13 -64.8(2) . . . . ?
B20 B15 C3 B13 -1.9(3) . . . . ?
B14 B15 C3 B13 37.4(2) . . . . ?
C4 B15 C3 B14 -138.7(2) . . . . ?
B16 B15 C3 B14 -102.2(2) . . . . ?
B20 B15 C3 B14 -39.4(2) . . . . ?
C4 B15 C3 B12 -33.13(18) . . . . ?
B16 B15 C3 B12 3.3(3) . . . . ?
B20 B15 C3 B12 66.2(2) . . . . ?
B14 B15 C3 B12 105.6(2) . . . . ?
B1 C3 C4 C11 6.0(3) . . . . ?
B13 C3 C4 C11 -144.3(2) . . . . ?
B14 C3 C4 C11 148.5(2) . . . . ?
B12 C3 C4 C11 -105.2(2) . . . . ?
B15 C3 C4 C11 110.3(2) . . . . ?
B1 C3 C4 B17 150.0(2) . . . . ?
B13 C3 C4 B17 -0.2(3) . . . . ?
B14 C3 C4 B17 -67.4(2) . . . . ?
B12 C3 C4 B17 38.84(19) . . . . ?
B15 C3 C4 B17 -105.6(2) . . . . ?
B1 C3 C4 B16 -143.1(2) . . . . ?
B13 C3 C4 B16 66.6(2) . . . . ?
B14 C3 C4 B16 -0.6(3) . . . . ?
B12 C3 C4 B16 105.7(2) . . . . ?
B15 C3 C4 B16 -38.81(19) . . . . ?
B1 C3 C4 B15 -104.3(2) . . . . ?
B13 C3 C4 B15 105.4(2) . . . . ?
B14 C3 C4 B15 38.21(19) . . . . ?
B12 C3 C4 B15 144.5(2) . . . . ?
B1 C3 C4 B12 111.2(2) . . . . ?
B13 C3 C4 B12 -39.06(19) . . . . ?
B14 C3 C4 B12 -106.3(2) . . . . ?
B15 C3 C4 B12 -144.5(2) . . . . ?
B12 B17 C4 C11 104.5(2) . . . . ?
B21 B17 C4 C11 -153.3(2) . . . . ?
B18 B17 C4 C11 143.3(2) . . . . ?
B16 B17 C4 C11 -114.0(2) . . . . ?
B12 B17 C4 C3 -38.14(19) . . . . ?
B21 B17 C4 C3 64.0(2) . . . . ?
B18 B17 C4 C3 0.7(3) . . . . ?
B16 B17 C4 C3 103.3(2) . . . . ?
B12 B17 C4 B16 -141.5(2) . . . . ?
B21 B17 C4 B16 -39.31(19) . . . . ?
B18 B17 C4 B16 -102.6(2) . . . . ?
B12 B17 C4 B15 -104.2(2) . . . . ?
B21 B17 C4 B15 -2.1(3) . . . . ?
B18 B17 C4 B15 -65.4(3) . . . . ?
B16 B17 C4 B15 37.2(2) . . . . ?
B21 B17 C4 B12 102.1(2) . . . . ?
B18 B17 C4 B12 38.8(2) . . . . ?
B16 B17 C4 B12 141.5(2) . . . . ?
B15 B16 C4 C11 -108.5(3) . . . . ?
B20 B16 C4 C11 -147.8(2) . . . . ?
B17 B16 C4 C11 110.8(3) . . . . ?
B21 B16 C4 C11 149.9(2) . . . . ?
B15 B16 C4 C3 38.58(18) . . . . ?
B20 B16 C4 C3 -0.7(3) . . . . ?
B17 B16 C4 C3 -102.1(2) . . . . ?
B21 B16 C4 C3 -63.0(3) . . . . ?
B15 B16 C4 B17 140.7(2) . . . . ?
B20 B16 C4 B17 101.4(2) . . . . ?
B21 B16 C4 B17 39.1(2) . . . . ?
B20 B16 C4 B15 -39.27(19) . . . . ?
B17 B16 C4 B15 -140.7(2) . . . . ?
B21 B16 C4 B15 -101.6(2) . . . . ?
B15 B16 C4 B12 104.0(2) . . . . ?
B20 B16 C4 B12 64.7(3) . . . . ?
B17 B16 C4 B12 -36.7(2) . . . . ?
B21 B16 C4 B12 2.4(3) . . . . ?
C3 B15 C4 C11 -107.5(2) . . . . ?
B16 B15 C4 C11 114.3(2) . . . . ?
B20 B15 C4 C11 153.7(2) . . . . ?
B14 B15 C4 C11 -143.2(2) . . . . ?
B16 B15 C4 C3 -138.2(2) . . . . ?
B20 B15 C4 C3 -98.7(2) . . . . ?
B14 B15 C4 C3 -35.67(17) . . . . ?
C3 B15 C4 B17 100.7(2) . . . . ?
B16 B15 C4 B17 -37.5(2) . . . . ?
B20 B15 C4 B17 2.0(3) . . . . ?
B14 B15 C4 B17 65.0(2) . . . . ?
C3 B15 C4 B16 138.2(2) . . . . ?
B20 B15 C4 B16 39.42(19) . . . . ?
B14 B15 C4 B16 102.5(2) . . . . ?
C3 B15 C4 B12 33.07(18) . . . . ?
B16 B15 C4 B12 -105.1(2) . . . . ?
B20 B15 C4 B12 -65.7(2) . . . . ?
B14 B15 C4 B12 -2.6(3) . . . . ?
C3 B12 C4 C11 108.8(2) . . . . ?
B18 B12 C4 C11 -152.2(2) . . . . ?
B17 B12 C4 C11 -113.2(2) . . . . ?
B13 B12 C4 C11 145.0(2) . . . . ?
B18 B12 C4 C3 99.0(2) . . . . ?
B17 B12 C4 C3 137.9(2) . . . . ?
B13 B12 C4 C3 36.15(17) . . . . ?
C3 B12 C4 B17 -137.9(2) . . . . ?
B18 B12 C4 B17 -38.91(19) . . . . ?
B13 B12 C4 B17 -101.8(2) . . . . ?
C3 B12 C4 B16 -101.0(2) . . . . ?
B18 B12 C4 B16 -2.0(3) . . . . ?
B17 B12 C4 B16 36.9(2) . . . . ?
B13 B12 C4 B16 -64.9(2) . . . . ?
C3 B12 C4 B15 -33.42(18) . . . . ?
B18 B12 C4 B15 65.6(2) . . . . ?
B17 B12 C4 B15 104.5(2) . . . . ?
B13 B12 C4 B15 2.7(3) . . . . ?
B10 C2 C5 C10 -23.0(3) . . . . ?
C1 C2 C5 C10 116.1(2) . . . . ?
B6 C2 C5 C10 -97.4(3) . . . . ?
B5 C2 C5 C10 -171.9(2) . . . . ?
B2 C2 C5 C10 47.6(3) . . . . ?
B10 C2 C5 C6 158.0(2) . . . . ?
C1 C2 C5 C6 -62.9(3) . . . . ?
B6 C2 C5 C6 83.5(3) . . . . ?
B5 C2 C5 C6 9.1(3) . . . . ?
B2 C2 C5 C6 -131.4(2) . . . . ?
C10 C5 C6 C7 -1.3(4) . . . . ?
C2 C5 C6 C7 177.7(2) . . . . ?
C5 C6 C7 C8 1.3(4) . . . . ?
C6 C7 C8 C9 0.3(4) . . . . ?
C7 C8 C9 C10 -1.9(4) . . . . ?
C8 C9 C10 C5 1.8(4) . . . . ?
C6 C5 C10 C9 -0.2(4) . . . . ?
C2 C5 C10 C9 -179.3(2) . . . . ?
C3 C4 C11 C16 -59.7(3) . . . . ?
B17 C4 C11 C16 160.5(2) . . . . ?
B16 C4 C11 C16 85.1(3) . . . . ?
B15 C4 C11 C16 11.2(3) . . . . ?
B12 C4 C11 C16 -128.2(2) . . . . ?
C3 C4 C11 C12 119.0(2) . . . . ?
B17 C4 C11 C12 -20.7(3) . . . . ?
B16 C4 C11 C12 -96.2(3) . . . . ?
B15 C4 C11 C12 -170.0(2) . . . . ?
B12 C4 C11 C12 50.6(3) . . . . ?
C16 C11 C12 C13 -0.6(4) . . . . ?
C4 C11 C12 C13 -179.3(2) . . . . ?
C11 C12 C13 C14 0.8(4) . . . . ?
C12 C13 C14 C15 -0.4(4) . . . . ?
C13 C14 C15 C16 -0.3(5) . . . . ?
C14 C15 C16 C11 0.5(4) . . . . ?
C12 C11 C16 C15 -0.1(4) . . . . ?
C4 C11 C16 C15 178.6(2) . . . . ?

_refine_diff_density_max         1.462
_refine_diff_density_min         -0.456
_refine_diff_density_rms         0.070

_shelxl_version_number           2013-4


_exptl_crystal_recrystallization_method 
'vapor diffusion by dichloromethane solution into toluene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_BrB2NpoCb2
_database_code_depnum_ccdc_archive 'CCDC 2331152'
loop_
_audit_author_name
_audit_author_address
'Yijie Li'
;Baylor University
United States of America
;
_audit_update_record             
;
2024-02-09 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        BrB2NpoCb2
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H36 B21 Br Cl2'
_chemical_formula_weight         714.36

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.9590(6)
_cell_length_b                   15.3894(7)
_cell_length_c                   20.9170(12)
_cell_angle_alpha                90
_cell_angle_beta                 94.611(2)
_cell_angle_gamma                90
_cell_volume                     3516.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9120
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      28.31

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_F_000             1440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.644
_exptl_crystal_size_mid          0.292
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.343
_shelx_estimated_absorpt_T_min   0.478
_shelx_estimated_absorpt_T_max   0.824
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.386
_exptl_absorpt_correction_T_max  0.665
_exptl_absorpt_process_details   SADabs
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            98107
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.173
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6666
_reflns_number_gt                5709
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0837P)²+8.4774P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'DIRECT METHODS'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6666
_refine_ls_number_parameters     442
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0532
_refine_ls_wR_factor_ref         0.1636
_refine_ls_wR_factor_gt          0.1512
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_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 0.34669(3) 0.74668(2) 0.17274(2) 0.03199(14) Uani 1 1 d . . . . .
Cl2 Cl 0.61356(16) 0.79366(15) 0.54231(8) 0.0882(5) Uani 1 1 d . . . . .
Cl1 Cl 0.7001(3) 0.96001(15) 0.49352(11) 0.1245(8) Uani 1 1 d . . . . .
C7 C 0.5422(3) 0.7179(2) 0.36958(15) 0.0227(6) Uani 1 1 d . . . . .
C8 C 0.6706(3) 0.7176(2) 0.38373(15) 0.0239(7) Uani 1 1 d . . . . .
C5 C 0.5562(3) 0.8529(2) 0.31041(14) 0.0204(6) Uani 1 1 d . . . . .
C1 C 0.4522(3) 0.9229(2) 0.19543(15) 0.0205(6) Uani 1 1 d . . . . .
C6 C 0.4872(3) 0.7872(2) 0.33327(15) 0.0221(6) Uani 1 1 d . . . . .
H107 H 0.400774 0.788275 0.324576 0.026 Uiso 1 1 calc R U . . .
C2 C 0.4975(3) 0.9300(2) 0.27584(15) 0.0204(6) Uani 1 1 d . . . . .
C10 C 0.6858(3) 0.8515(2) 0.32394(15) 0.0250(7) Uani 1 1 d . . . . .
H105 H 0.734347 0.896553 0.307983 0.030 Uiso 1 1 calc R U . . .
C3 C 0.5600(3) 0.8128(2) 0.10678(15) 0.0215(6) Uani 1 1 d . . . . .
C11 C 0.4712(3) 0.6485(2) 0.39215(16) 0.0279(7) Uani 1 1 d . . . . .
H103 H 0.385150 0.647350 0.381832 0.033 Uiso 1 1 calc R U . . .
C19 C 0.6232(3) 0.5772(2) 0.25595(16) 0.0246(7) Uani 1 1 d . . . . .
H19 H 0.652732 0.582100 0.299757 0.030 Uiso 1 1 calc R U . . .
C4 C 0.6218(3) 0.7093(2) 0.10221(15) 0.0234(7) Uani 1 1 d . . . . .
C17 C 0.5146(3) 0.4949(2) 0.16938(16) 0.0258(7) Uani 1 1 d . . . . .
C15 C 0.5952(3) 0.6391(2) 0.14954(15) 0.0241(7) Uani 1 1 d . . . . .
C18 C 0.5616(3) 0.5013(2) 0.23433(16) 0.0242(7) Uani 1 1 d . . . . .
C21 C 0.4538(3) 0.4181(2) 0.14807(18) 0.0336(8) Uani 1 1 d . . . . .
H21 H 0.421487 0.413282 0.104700 0.040 Uiso 1 1 calc R U . . .
C16 C 0.5324(3) 0.5662(2) 0.12820(16) 0.0268(7) Uani 1 1 d . . . . .
H16 H 0.500062 0.563416 0.084729 0.032 Uiso 1 1 calc R U . . .
C14 C 0.7248(3) 0.6491(2) 0.42151(16) 0.0311(8) Uani 1 1 d . . . . .
H14 H 0.810870 0.648323 0.431571 0.037 Uiso 1 1 calc R U . . .
C9 C 0.7406(3) 0.7861(2) 0.35959(16) 0.0272(7) Uani 1 1 d . . . . .
H101 H 0.826956 0.786352 0.368444 0.033 Uiso 1 1 calc R U . . .
C20 C 0.6411(3) 0.6444(2) 0.21465(15) 0.0247(7) Uani 1 1 d . . . . .
H20 H 0.684574 0.694764 0.229804 0.030 Uiso 1 1 calc R U . . .
C12 C 0.5260(4) 0.5837(2) 0.42848(18) 0.0339(8) Uani 1 1 d . . . . .
H12 H 0.477671 0.538056 0.443714 0.041 Uiso 1 1 calc R U . . .
C22 C 0.4413(4) 0.3509(2) 0.1893(2) 0.0365(8) Uani 1 1 d . . . . .
H22 H 0.401439 0.299194 0.174183 0.044 Uiso 1 1 calc R U . . .
C13 C 0.6535(4) 0.5838(2) 0.44365(17) 0.0337(8) Uani 1 1 d . . . . .
H13 H 0.690507 0.538569 0.469310 0.040 Uiso 1 1 calc R U . . .
C24 C 0.5443(3) 0.4304(2) 0.27684(18) 0.0304(8) Uani 1 1 d . . . . .
H24 H 0.573028 0.434628 0.320804 0.037 Uiso 1 1 calc R U . . .
C23 C 0.4867(3) 0.3570(2) 0.2544(2) 0.0357(8) Uani 1 1 d . . . . .
H23 H 0.476956 0.309554 0.282587 0.043 Uiso 1 1 calc R U . . .
B1 B 0.4647(3) 0.8328(2) 0.15875(17) 0.0226(7) Uani 1 1 d . . . . .
C25 C 0.5575(7) 0.8839(4) 0.5012(3) 0.092(2) Uani 1 1 d . . . . .
H25A H 0.495086 0.913526 0.525127 0.110 Uiso 1 1 calc R U . . .
H25B H 0.519910 0.867499 0.458299 0.110 Uiso 1 1 calc R U . . .
B15 B 0.7137(3) 0.7962(2) 0.12909(17) 0.0229(7) Uani 1 1 d . . . . .
H15 H 0.753471 0.803290 0.179837 0.028 Uiso 1 1 calc R U . . .
B2 B 0.5800(3) 0.9824(2) 0.22002(17) 0.0205(7) Uani 1 1 d . . . . .
H2 H 0.674688 0.962665 0.209406 0.025 Uiso 1 1 calc R U . . .
B18 B 0.6819(4) 0.8634(3) 0.00027(18) 0.0268(8) Uani 1 1 d . . . . .
H18 H 0.702940 0.915093 -0.034922 0.032 Uiso 1 1 calc R U . . .
B19 B 0.7931(3) 0.8268(3) 0.06161(18) 0.0259(8) Uani 1 1 d . . . . .
H19A H 0.887904 0.854455 0.067183 0.031 Uiso 1 1 calc R U . . .
B4 B 0.3233(3) 0.9858(2) 0.17890(19) 0.0262(8) Uani 1 1 d . . . . .
H4 H 0.248744 0.969116 0.141116 0.031 Uiso 1 1 calc R U . . .
B3 B 0.4707(3) 1.0216(2) 0.15901(18) 0.0241(7) Uani 1 1 d . . . . .
H3 H 0.492972 1.029389 0.107992 0.029 Uiso 1 1 calc R U . . .
B10 B 0.4029(3) 0.9981(2) 0.31369(19) 0.0262(8) Uani 1 1 d . . . . .
H104 H 0.380942 0.990049 0.364729 0.031 Uiso 1 1 calc R U . . .
B21 B 0.7452(4) 0.7569(3) -0.0034(2) 0.0301(9) Uani 1 1 d . . . . .
H21A H 0.807921 0.738402 -0.040865 0.036 Uiso 1 1 calc R U . . .
B11 B 0.4216(4) 1.1024(3) 0.2785(2) 0.0290(8) Uani 1 1 d . . . . .
H102 H 0.411554 1.163936 0.306179 0.035 Uiso 1 1 calc R U . . .
B7 B 0.5322(3) 1.0926(2) 0.22064(19) 0.0248(7) Uani 1 1 d . . . . .
H7 H 0.595222 1.147284 0.210388 0.030 Uiso 1 1 calc R U . . .
B13 B 0.5345(4) 0.8549(2) 0.03089(17) 0.0255(8) Uani 1 1 d . . . . .
H13A H 0.457966 0.900975 0.016744 0.031 Uiso 1 1 calc R U . . .
B14 B 0.6644(3) 0.8870(2) 0.08184(17) 0.0233(7) Uani 1 1 d . . . . .
H14A H 0.674109 0.954870 0.100968 0.028 Uiso 1 1 calc R U . . .
B20 B 0.7650(4) 0.7153(3) 0.07651(18) 0.0277(8) Uani 1 1 d . . . . .
H20A H 0.840560 0.669281 0.092432 0.033 Uiso 1 1 calc R U . . .
B12 B 0.5074(4) 0.7423(2) 0.04485(18) 0.0250(8) Uani 1 1 d . . . . .
H12A H 0.413152 0.713768 0.040424 0.030 Uiso 1 1 calc R U . . .
B5 B 0.3431(3) 0.9274(2) 0.25213(18) 0.0240(7) Uani 1 1 d . . . . .
H5 H 0.282242 0.871491 0.262469 0.029 Uiso 1 1 calc R U . . .
B17 B 0.5837(4) 0.7740(3) -0.02212(18) 0.0302(8) Uani 1 1 d . . . . .
H17 H 0.539477 0.766855 -0.072006 0.036 Uiso 1 1 calc R U . . .
B16 B 0.6371(4) 0.6832(3) 0.02408(18) 0.0285(8) Uani 1 1 d . . . . .
H16A H 0.628288 0.615446 0.004788 0.034 Uiso 1 1 calc R U . . .
B6 B 0.5501(3) 1.0324(2) 0.29335(18) 0.0244(7) Uani 1 1 d . . . . .
H106 H 0.625562 1.046907 0.331164 0.029 Uiso 1 1 calc R U . . .
B8 B 0.3722(4) 1.0946(2) 0.1955(2) 0.0280(8) Uani 1 1 d . . . . .
H8 H 0.328984 1.151067 0.168464 0.034 Uiso 1 1 calc R U . . .
B9 B 0.2923(4) 1.0361(2) 0.2529(2) 0.0296(8) Uani 1 1 d . . . . .
H100 H 0.196993 1.053553 0.263785 0.036 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 1.891(4) . ?
Cl2 C25 1.721(6) . ?
Cl1 C25 1.969(8) . ?
C7 C8 1.414(5) . ?
C7 C6 1.416(5) . ?
C7 C11 1.424(5) . ?
C8 C14 1.419(5) . ?
C8 C9 1.420(5) . ?
C5 C6 1.371(4) . ?
C5 C10 1.426(4) . ?
C5 C2 1.506(4) . ?
C1 B1 1.596(5) . ?
C1 B2 1.718(4) . ?
C1 C2 1.719(4) . ?
C1 B3 1.719(5) . ?
C1 B4 1.723(5) . ?
C1 B5 1.751(5) . ?
C2 B6 1.708(5) . ?
C2 B10 1.713(5) . ?
C2 B5 1.725(5) . ?
C2 B2 1.732(5) . ?
C10 C9 1.363(5) . ?
C3 B1 1.597(5) . ?
C3 B13 1.716(5) . ?
C3 B14 1.727(5) . ?
C3 B15 1.730(5) . ?
C3 C4 1.736(4) . ?
C3 B12 1.751(5) . ?
C11 C12 1.364(5) . ?
C19 C20 1.372(5) . ?
C19 C18 1.406(5) . ?
C4 C15 1.509(4) . ?
C4 B20 1.702(5) . ?
C4 B16 1.704(5) . ?
C4 B15 1.739(5) . ?
C4 B12 1.740(5) . ?
C17 C21 1.411(5) . ?
C17 C18 1.417(5) . ?
C17 C16 1.419(5) . ?
C15 C16 1.372(5) . ?
C15 C20 1.416(5) . ?
C18 C24 1.429(5) . ?
C21 C22 1.360(5) . ?
C14 C13 1.376(5) . ?
C12 C13 1.408(6) . ?
C22 C23 1.415(6) . ?
C24 C23 1.359(5) . ?
B15 B14 1.772(5) . ?
B15 B19 1.781(5) . ?
B15 B20 1.781(5) . ?
B2 B6 1.770(5) . ?
B2 B7 1.775(5) . ?
B2 B3 1.784(5) . ?
B18 B14 1.770(5) . ?
B18 B21 1.784(6) . ?
B18 B17 1.786(6) . ?
B18 B19 1.788(5) . ?
B18 B13 1.790(6) . ?
B19 B14 1.767(5) . ?
B19 B20 1.775(5) . ?
B19 B21 1.780(6) . ?
B4 B5 1.774(5) . ?
B4 B8 1.784(5) . ?
B4 B9 1.787(6) . ?
B4 B3 1.788(5) . ?
B3 B8 1.773(5) . ?
B3 B7 1.780(5) . ?
B10 B5 1.771(5) . ?
B10 B6 1.781(5) . ?
B10 B9 1.783(6) . ?
B10 B11 1.785(5) . ?
B21 B16 1.768(6) . ?
B21 B20 1.787(6) . ?
B21 B17 1.801(6) . ?
B11 B6 1.780(5) . ?
B11 B8 1.781(6) . ?
B11 B7 1.786(6) . ?
B11 B9 1.793(6) . ?
B7 B6 1.778(5) . ?
B7 B8 1.791(5) . ?
B13 B14 1.779(5) . ?
B13 B17 1.779(6) . ?
B13 B12 1.785(5) . ?
B20 B16 1.779(6) . ?
B12 B17 1.757(5) . ?
B12 B16 1.770(6) . ?
B5 B9 1.764(5) . ?
B17 B16 1.771(6) . ?
B8 B9 1.786(6) . ?

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
C8 C7 C6 119.2(3) . . ?
C8 C7 C11 119.3(3) . . ?
C6 C7 C11 121.5(3) . . ?
C7 C8 C14 118.9(3) . . ?
C7 C8 C9 118.7(3) . . ?
C14 C8 C9 122.4(3) . . ?
C6 C5 C10 119.3(3) . . ?
C6 C5 C2 121.5(3) . . ?
C10 C5 C2 119.1(3) . . ?
B1 C1 B2 120.5(3) . . ?
B1 C1 C2 119.7(2) . . ?
B2 C1 C2 60.55(18) . . ?
B1 C1 B3 122.5(3) . . ?
B2 C1 B3 62.5(2) . . ?
C2 C1 B3 110.0(2) . . ?
B1 C1 B4 119.5(3) . . ?
B2 C1 B4 113.4(2) . . ?
C2 C1 B4 109.2(2) . . ?
B3 C1 B4 62.6(2) . . ?
B1 C1 B5 116.7(3) . . ?
B2 C1 B5 111.2(2) . . ?
C2 C1 B5 59.62(18) . . ?
B3 C1 B5 112.2(2) . . ?
B4 C1 B5 61.4(2) . . ?
C5 C6 C7 121.3(3) . . ?
C5 C2 B6 120.0(3) . . ?
C5 C2 B10 120.7(3) . . ?
B6 C2 B10 62.7(2) . . ?
C5 C2 C1 119.9(2) . . ?
B6 C2 C1 109.5(2) . . ?
B10 C2 C1 110.7(2) . . ?
C5 C2 B5 119.4(3) . . ?
B6 C2 B5 112.9(2) . . ?
B10 C2 B5 62.0(2) . . ?
C1 C2 B5 61.13(19) . . ?
C5 C2 B2 117.7(2) . . ?
B6 C2 B2 61.9(2) . . ?
B10 C2 B2 113.2(2) . . ?
C1 C2 B2 59.71(18) . . ?
B5 C2 B2 111.7(2) . . ?
C9 C10 C5 120.4(3) . . ?
B1 C3 B13 119.3(3) . . ?
B1 C3 B14 124.3(3) . . ?
B13 C3 B14 62.2(2) . . ?
B1 C3 B15 121.4(3) . . ?
B13 C3 B15 112.8(3) . . ?
B14 C3 B15 61.7(2) . . ?
B1 C3 C4 119.6(2) . . ?
B13 C3 C4 109.3(2) . . ?
B14 C3 C4 108.6(2) . . ?
B15 C3 C4 60.23(19) . . ?
B1 C3 B12 115.4(3) . . ?
B13 C3 B12 62.0(2) . . ?
B14 C3 B12 111.9(2) . . ?
B15 C3 B12 111.3(3) . . ?
C4 C3 B12 59.86(19) . . ?
C12 C11 C7 120.3(3) . . ?
C20 C19 C18 120.9(3) . . ?
C15 C4 B20 118.6(3) . . ?
C15 C4 B16 120.0(3) . . ?
B20 C4 B16 63.0(2) . . ?
C15 C4 C3 121.6(3) . . ?
B20 C4 C3 110.0(2) . . ?
B16 C4 C3 109.7(2) . . ?
C15 C4 B15 118.4(3) . . ?
B20 C4 B15 62.3(2) . . ?
B16 C4 B15 113.1(3) . . ?
C3 C4 B15 59.72(19) . . ?
C15 C4 B12 119.7(3) . . ?
B20 C4 B12 113.4(3) . . ?
B16 C4 B12 61.8(2) . . ?
C3 C4 B12 60.48(19) . . ?
B15 C4 B12 111.4(2) . . ?
C21 C17 C18 119.1(3) . . ?
C21 C17 C16 122.7(3) . . ?
C18 C17 C16 118.1(3) . . ?
C16 C15 C20 119.4(3) . . ?
C16 C15 C4 119.4(3) . . ?
C20 C15 C4 121.1(3) . . ?
C19 C18 C17 119.6(3) . . ?
C19 C18 C24 121.2(3) . . ?
C17 C18 C24 119.2(3) . . ?
C22 C21 C17 120.3(4) . . ?
C15 C16 C17 121.7(3) . . ?
C13 C14 C8 120.4(3) . . ?
C10 C9 C8 121.1(3) . . ?
C19 C20 C15 120.3(3) . . ?
C11 C12 C13 120.6(3) . . ?
C21 C22 C23 120.9(3) . . ?
C14 C13 C12 120.3(3) . . ?
C23 C24 C18 120.0(4) . . ?
C24 C23 C22 120.3(3) . . ?
C1 B1 C3 125.5(3) . . ?
C1 B1 Br1 116.6(2) . . ?
C3 B1 Br1 117.6(2) . . ?
Cl2 C25 Cl1 105.5(4) . . ?
C3 B15 C4 60.05(19) . . ?
C3 B15 B14 59.08(19) . . ?
C4 B15 B14 106.5(2) . . ?
C3 B15 B19 105.9(2) . . ?
C4 B15 B19 104.7(3) . . ?
B14 B15 B19 59.7(2) . . ?
C3 B15 B20 106.6(3) . . ?
C4 B15 B20 57.8(2) . . ?
B14 B15 B20 107.7(3) . . ?
B19 B15 B20 59.8(2) . . ?
C1 B2 C2 59.75(18) . . ?
C1 B2 B6 106.7(2) . . ?
C2 B2 B6 58.35(19) . . ?
C1 B2 B7 106.1(2) . . ?
C2 B2 B7 105.6(3) . . ?
B6 B2 B7 60.2(2) . . ?
C1 B2 B3 58.76(18) . . ?
C2 B2 B3 106.4(2) . . ?
B6 B2 B3 108.2(3) . . ?
B7 B2 B3 60.0(2) . . ?
B14 B18 B21 107.6(3) . . ?
B14 B18 B17 107.5(3) . . ?
B21 B18 B17 60.6(2) . . ?
B14 B18 B19 59.6(2) . . ?
B21 B18 B19 59.8(2) . . ?
B17 B18 B19 107.9(3) . . ?
B14 B18 B13 59.9(2) . . ?
B21 B18 B13 108.2(3) . . ?
B17 B18 B13 59.7(2) . . ?
B19 B18 B13 107.6(3) . . ?
B14 B19 B20 108.2(3) . . ?
B14 B19 B21 107.9(3) . . ?
B20 B19 B21 60.3(2) . . ?
B14 B19 B15 59.9(2) . . ?
B20 B19 B15 60.1(2) . . ?
B21 B19 B15 108.2(3) . . ?
B14 B19 B18 59.7(2) . . ?
B20 B19 B18 108.2(3) . . ?
B21 B19 B18 60.0(2) . . ?
B15 B19 B18 107.7(3) . . ?
C1 B4 B5 60.07(19) . . ?
C1 B4 B8 105.1(3) . . ?
B5 B4 B8 107.1(3) . . ?
C1 B4 B9 106.2(3) . . ?
B5 B4 B9 59.4(2) . . ?
B8 B4 B9 60.0(2) . . ?
C1 B4 B3 58.60(19) . . ?
B5 B4 B3 107.9(3) . . ?
B8 B4 B3 59.5(2) . . ?
B9 B4 B3 107.8(3) . . ?
C1 B3 B8 105.7(3) . . ?
C1 B3 B7 105.8(3) . . ?
B8 B3 B7 60.5(2) . . ?
C1 B3 B2 58.70(18) . . ?
B8 B3 B2 107.7(3) . . ?
B7 B3 B2 59.8(2) . . ?
C1 B3 B4 58.83(19) . . ?
B8 B3 B4 60.1(2) . . ?
B7 B3 B4 108.5(3) . . ?
B2 B3 B4 107.2(2) . . ?
C2 B10 B5 59.33(19) . . ?
C2 B10 B6 58.49(19) . . ?
B5 B10 B6 107.3(3) . . ?
C2 B10 B9 105.8(3) . . ?
B5 B10 B9 59.5(2) . . ?
B6 B10 B9 108.0(3) . . ?
C2 B10 B11 105.4(3) . . ?
B5 B10 B11 107.5(3) . . ?
B6 B10 B11 59.9(2) . . ?
B9 B10 B11 60.3(2) . . ?
B16 B21 B19 107.7(3) . . ?
B16 B21 B18 107.6(3) . . ?
B19 B21 B18 60.2(2) . . ?
B16 B21 B20 60.1(2) . . ?
B19 B21 B20 59.7(2) . . ?
B18 B21 B20 107.9(3) . . ?
B16 B21 B17 59.5(2) . . ?
B19 B21 B17 107.6(3) . . ?
B18 B21 B17 59.8(2) . . ?
B20 B21 B17 107.4(3) . . ?
B6 B11 B8 107.7(3) . . ?
B6 B11 B10 59.9(2) . . ?
B8 B11 B10 107.8(3) . . ?
B6 B11 B7 59.8(2) . . ?
B8 B11 B7 60.3(2) . . ?
B10 B11 B7 108.1(3) . . ?
B6 B11 B9 107.6(3) . . ?
B8 B11 B9 60.0(2) . . ?
B10 B11 B9 59.8(2) . . ?
B7 B11 B9 108.2(3) . . ?
B2 B7 B6 59.8(2) . . ?
B2 B7 B3 60.2(2) . . ?
B6 B7 B3 108.0(3) . . ?
B2 B7 B11 107.6(3) . . ?
B6 B7 B11 59.9(2) . . ?
B3 B7 B11 107.7(3) . . ?
B2 B7 B8 107.3(2) . . ?
B6 B7 B8 107.4(3) . . ?
B3 B7 B8 59.5(2) . . ?
B11 B7 B8 59.7(2) . . ?
C3 B13 B14 59.20(19) . . ?
C3 B13 B17 106.1(3) . . ?
B14 B13 B17 107.5(3) . . ?
C3 B13 B12 59.97(19) . . ?
B14 B13 B12 107.9(3) . . ?
B17 B13 B12 59.1(2) . . ?
C3 B13 B18 105.9(3) . . ?
B14 B13 B18 59.5(2) . . ?
B17 B13 B18 60.1(2) . . ?
B12 B13 B18 107.2(3) . . ?
C3 B14 B19 106.6(3) . . ?
C3 B14 B18 106.3(3) . . ?
B19 B14 B18 60.7(2) . . ?
C3 B14 B15 59.26(19) . . ?
B19 B14 B15 60.4(2) . . ?
B18 B14 B15 108.9(3) . . ?
C3 B14 B13 58.61(19) . . ?
B19 B14 B13 109.0(3) . . ?
B18 B14 B13 60.6(2) . . ?
B15 B14 B13 107.9(3) . . ?
C4 B20 B19 106.6(3) . . ?
C4 B20 B16 58.6(2) . . ?
B19 B20 B16 107.4(3) . . ?
C4 B20 B15 59.9(2) . . ?
B19 B20 B15 60.1(2) . . ?
B16 B20 B15 107.6(3) . . ?
C4 B20 B21 105.6(3) . . ?
B19 B20 B21 60.0(2) . . ?
B16 B20 B21 59.5(2) . . ?
B15 B20 B21 107.9(3) . . ?
C4 B12 C3 59.65(19) . . ?
C4 B12 B17 105.6(3) . . ?
C3 B12 B17 105.6(3) . . ?
C4 B12 B16 58.1(2) . . ?
C3 B12 B16 106.1(3) . . ?
B17 B12 B16 60.3(2) . . ?
C4 B12 B13 106.0(3) . . ?
C3 B12 B13 58.07(19) . . ?
B17 B12 B13 60.3(2) . . ?
B16 B12 B13 108.1(3) . . ?
C2 B5 C1 59.26(18) . . ?
C2 B5 B9 106.1(3) . . ?
C1 B5 B9 106.0(3) . . ?
C2 B5 B10 58.6(2) . . ?
C1 B5 B10 106.5(2) . . ?
B9 B5 B10 60.6(2) . . ?
C2 B5 B4 106.6(2) . . ?
C1 B5 B4 58.5(2) . . ?
B9 B5 B4 60.7(2) . . ?
B10 B5 B4 109.2(3) . . ?
B12 B17 B16 60.2(2) . . ?
B12 B17 B13 60.6(2) . . ?
B16 B17 B13 108.4(3) . . ?
B12 B17 B18 108.6(3) . . ?
B16 B17 B18 107.4(3) . . ?
B13 B17 B18 60.3(2) . . ?
B12 B17 B21 108.0(3) . . ?
B16 B17 B21 59.4(2) . . ?
B13 B17 B21 108.0(3) . . ?
B18 B17 B21 59.7(2) . . ?
C4 B16 B21 106.3(3) . . ?
C4 B16 B12 60.1(2) . . ?
B21 B16 B12 108.8(3) . . ?
C4 B16 B17 106.5(3) . . ?
B21 B16 B17 61.2(2) . . ?
B12 B16 B17 59.5(2) . . ?
C4 B16 B20 58.4(2) . . ?
B21 B16 B20 60.5(2) . . ?
B12 B16 B20 108.3(3) . . ?
B17 B16 B20 109.1(3) . . ?
C2 B6 B2 59.72(19) . . ?
C2 B6 B7 106.6(3) . . ?
B2 B6 B7 60.0(2) . . ?
C2 B6 B11 105.8(3) . . ?
B2 B6 B11 108.1(3) . . ?
B7 B6 B11 60.3(2) . . ?
C2 B6 B10 58.8(2) . . ?
B2 B6 B10 108.2(3) . . ?
B7 B6 B10 108.6(3) . . ?
B11 B6 B10 60.2(2) . . ?
B3 B8 B11 108.3(3) . . ?
B3 B8 B4 60.4(2) . . ?
B11 B8 B4 108.4(3) . . ?
B3 B8 B9 108.5(3) . . ?
B11 B8 B9 60.3(2) . . ?
B4 B8 B9 60.1(2) . . ?
B3 B8 B7 59.9(2) . . ?
B11 B8 B7 60.0(2) . . ?
B4 B8 B7 108.2(3) . . ?
B9 B8 B7 108.3(3) . . ?
B5 B9 B10 59.9(2) . . ?
B5 B9 B8 107.5(3) . . ?
B10 B9 B8 107.7(3) . . ?
B5 B9 B4 59.9(2) . . ?
B10 B9 B4 108.1(3) . . ?
B8 B9 B4 59.9(2) . . ?
B5 B9 B11 107.5(3) . . ?
B10 B9 B11 59.9(2) . . ?
B8 B9 B11 59.7(2) . . ?
B4 B9 B11 107.7(3) . . ?

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
C6 C7 C8 C14 178.4(3) . . . . ?
C11 C7 C8 C14 -1.6(5) . . . . ?
C6 C7 C8 C9 -1.5(5) . . . . ?
C11 C7 C8 C9 178.5(3) . . . . ?
C10 C5 C6 C7 -0.5(5) . . . . ?
C2 C5 C6 C7 -175.6(3) . . . . ?
C8 C7 C6 C5 1.5(5) . . . . ?
C11 C7 C6 C5 -178.5(3) . . . . ?
C6 C5 C2 B6 135.9(3) . . . . ?
C10 C5 C2 B6 -39.2(4) . . . . ?
C6 C5 C2 B10 61.6(4) . . . . ?
C10 C5 C2 B10 -113.5(3) . . . . ?
C6 C5 C2 C1 -83.0(4) . . . . ?
C10 C5 C2 C1 101.9(3) . . . . ?
C6 C5 C2 B5 -11.4(4) . . . . ?
C10 C5 C2 B5 173.5(3) . . . . ?
C6 C5 C2 B2 -152.2(3) . . . . ?
C10 C5 C2 B2 32.7(4) . . . . ?
B1 C1 C2 C5 3.9(4) . . . . ?
B2 C1 C2 C5 -106.5(3) . . . . ?
B3 C1 C2 C5 -146.2(3) . . . . ?
B4 C1 C2 C5 146.9(3) . . . . ?
B5 C1 C2 C5 109.2(3) . . . . ?
B1 C1 C2 B6 148.6(3) . . . . ?
B2 C1 C2 B6 38.2(2) . . . . ?
B3 C1 C2 B6 -1.5(3) . . . . ?
B4 C1 C2 B6 -68.4(3) . . . . ?
B5 C1 C2 B6 -106.0(3) . . . . ?
B1 C1 C2 B10 -144.0(3) . . . . ?
B2 C1 C2 B10 105.6(3) . . . . ?
B3 C1 C2 B10 65.9(3) . . . . ?
B4 C1 C2 B10 -1.0(3) . . . . ?
B5 C1 C2 B10 -38.7(2) . . . . ?
B1 C1 C2 B5 -105.3(3) . . . . ?
B2 C1 C2 B5 144.3(3) . . . . ?
B3 C1 C2 B5 104.6(3) . . . . ?
B4 C1 C2 B5 37.7(2) . . . . ?
B1 C1 C2 B2 110.4(3) . . . . ?
B3 C1 C2 B2 -39.7(2) . . . . ?
B4 C1 C2 B2 -106.6(3) . . . . ?
B5 C1 C2 B2 -144.3(3) . . . . ?
C6 C5 C10 C9 -0.5(5) . . . . ?
C2 C5 C10 C9 174.7(3) . . . . ?
C8 C7 C11 C12 1.7(5) . . . . ?
C6 C7 C11 C12 -178.2(3) . . . . ?
B1 C3 C4 C15 -4.7(4) . . . . ?
B13 C3 C4 C15 -147.5(3) . . . . ?
B14 C3 C4 C15 146.3(3) . . . . ?
B15 C3 C4 C15 106.7(3) . . . . ?
B12 C3 C4 C15 -108.6(3) . . . . ?
B1 C3 C4 B20 -149.8(3) . . . . ?
B13 C3 C4 B20 67.5(3) . . . . ?
B14 C3 C4 B20 1.3(3) . . . . ?
B15 C3 C4 B20 -38.4(2) . . . . ?
B12 C3 C4 B20 106.3(3) . . . . ?
B1 C3 C4 B16 142.7(3) . . . . ?
B13 C3 C4 B16 0.0(3) . . . . ?
B14 C3 C4 B16 -66.2(3) . . . . ?
B15 C3 C4 B16 -105.9(3) . . . . ?
B12 C3 C4 B16 38.8(3) . . . . ?
B1 C3 C4 B15 -111.4(3) . . . . ?
B13 C3 C4 B15 105.9(3) . . . . ?
B14 C3 C4 B15 39.7(2) . . . . ?
B12 C3 C4 B15 144.7(3) . . . . ?
B1 C3 C4 B12 103.9(3) . . . . ?
B13 C3 C4 B12 -38.8(2) . . . . ?
B14 C3 C4 B12 -105.0(3) . . . . ?
B15 C3 C4 B12 -144.7(3) . . . . ?
B20 C4 C15 C16 -101.9(4) . . . . ?
B16 C4 C15 C16 -28.4(5) . . . . ?
C3 C4 C15 C16 115.8(3) . . . . ?
B15 C4 C15 C16 -174.1(3) . . . . ?
B12 C4 C15 C16 44.2(4) . . . . ?
B20 C4 C15 C20 73.6(4) . . . . ?
B16 C4 C15 C20 147.2(3) . . . . ?
C3 C4 C15 C20 -68.6(4) . . . . ?
B15 C4 C15 C20 1.5(4) . . . . ?
B12 C4 C15 C20 -140.2(3) . . . . ?
C20 C19 C18 C17 -1.7(5) . . . . ?
C20 C19 C18 C24 179.0(3) . . . . ?
C21 C17 C18 C19 179.5(3) . . . . ?
C16 C17 C18 C19 0.4(5) . . . . ?
C21 C17 C18 C24 -1.1(5) . . . . ?
C16 C17 C18 C24 179.7(3) . . . . ?
C18 C17 C21 C22 -0.4(5) . . . . ?
C16 C17 C21 C22 178.7(3) . . . . ?
C20 C15 C16 C17 -1.5(5) . . . . ?
C4 C15 C16 C17 174.2(3) . . . . ?
C21 C17 C16 C15 -177.9(3) . . . . ?
C18 C17 C16 C15 1.2(5) . . . . ?
C7 C8 C14 C13 0.3(5) . . . . ?
C9 C8 C14 C13 -179.7(3) . . . . ?
C5 C10 C9 C8 0.4(5) . . . . ?
C7 C8 C9 C10 0.6(5) . . . . ?
C14 C8 C9 C10 -179.4(3) . . . . ?
C18 C19 C20 C15 1.5(5) . . . . ?
C16 C15 C20 C19 0.1(5) . . . . ?
C4 C15 C20 C19 -175.5(3) . . . . ?
C7 C11 C12 C13 -0.7(5) . . . . ?
C17 C21 C22 C23 1.1(6) . . . . ?
C8 C14 C13 C12 0.7(5) . . . . ?
C11 C12 C13 C14 -0.5(6) . . . . ?
C19 C18 C24 C23 -178.6(3) . . . . ?
C17 C18 C24 C23 2.0(5) . . . . ?
C18 C24 C23 C22 -1.4(5) . . . . ?
C21 C22 C23 C24 -0.2(6) . . . . ?
B2 C1 B1 C3 -38.3(4) . . . . ?
C2 C1 B1 C3 -109.6(3) . . . . ?
B3 C1 B1 C3 36.7(4) . . . . ?
B4 C1 B1 C3 111.2(3) . . . . ?
B5 C1 B1 C3 -178.2(3) . . . . ?
B2 C1 B1 Br1 147.7(2) . . . . ?
C2 C1 B1 Br1 76.4(3) . . . . ?
B3 C1 B1 Br1 -137.3(2) . . . . ?
B4 C1 B1 Br1 -62.8(3) . . . . ?
B5 C1 B1 Br1 7.8(4) . . . . ?
B13 C3 B1 C1 -75.1(4) . . . . ?
B14 C3 B1 C1 -0.5(5) . . . . ?
B15 C3 B1 C1 74.6(4) . . . . ?
C4 C3 B1 C1 145.8(3) . . . . ?
B12 C3 B1 C1 -145.9(3) . . . . ?
B13 C3 B1 Br1 98.8(3) . . . . ?
B14 C3 B1 Br1 173.5(2) . . . . ?
B15 C3 B1 Br1 -111.4(3) . . . . ?
C4 C3 B1 Br1 -40.2(4) . . . . ?
B12 C3 B1 Br1 28.1(3) . . . . ?
B1 C3 B15 C4 108.5(3) . . . . ?
B13 C3 B15 C4 -99.9(3) . . . . ?
B14 C3 B15 C4 -136.6(2) . . . . ?
B12 C3 B15 C4 -32.5(2) . . . . ?
B1 C3 B15 B14 -114.9(3) . . . . ?
B13 C3 B15 B14 36.7(2) . . . . ?
C4 C3 B15 B14 136.6(2) . . . . ?
B12 C3 B15 B14 104.1(3) . . . . ?
B1 C3 B15 B19 -153.4(3) . . . . ?
B13 C3 B15 B19 -1.8(3) . . . . ?
B14 C3 B15 B19 -38.5(2) . . . . ?
C4 C3 B15 B19 98.1(3) . . . . ?
B12 C3 B15 B19 65.7(3) . . . . ?
B1 C3 B15 B20 144.1(3) . . . . ?
B13 C3 B15 B20 -64.4(3) . . . . ?
B14 C3 B15 B20 -101.0(3) . . . . ?
C4 C3 B15 B20 35.6(2) . . . . ?
B12 C3 B15 B20 3.1(3) . . . . ?
C15 C4 B15 C3 -111.9(3) . . . . ?
B20 C4 B15 C3 138.8(3) . . . . ?
B16 C4 B15 C3 100.1(3) . . . . ?
B12 C4 B15 C3 32.7(2) . . . . ?
C15 C4 B15 B14 -149.9(3) . . . . ?
B20 C4 B15 B14 100.9(3) . . . . ?
B16 C4 B15 B14 62.2(3) . . . . ?
C3 C4 B15 B14 -37.9(2) . . . . ?
B12 C4 B15 B14 -5.2(3) . . . . ?
C15 C4 B15 B19 148.0(3) . . . . ?
B20 C4 B15 B19 38.7(2) . . . . ?
B16 C4 B15 B19 0.0(3) . . . . ?
C3 C4 B15 B19 -100.1(3) . . . . ?
B12 C4 B15 B19 -67.4(3) . . . . ?
C15 C4 B15 B20 109.3(3) . . . . ?
B16 C4 B15 B20 -38.7(3) . . . . ?
C3 C4 B15 B20 -138.8(3) . . . . ?
B12 C4 B15 B20 -106.1(3) . . . . ?
B1 C1 B2 C2 -109.2(3) . . . . ?
B3 C1 B2 C2 137.5(3) . . . . ?
B4 C1 B2 C2 99.6(3) . . . . ?
B5 C1 B2 C2 32.7(2) . . . . ?
B1 C1 B2 B6 -145.2(3) . . . . ?
C2 C1 B2 B6 -36.0(2) . . . . ?
B3 C1 B2 B6 101.5(3) . . . . ?
B4 C1 B2 B6 63.7(3) . . . . ?
B5 C1 B2 B6 -3.3(3) . . . . ?
B1 C1 B2 B7 151.8(3) . . . . ?
C2 C1 B2 B7 -99.0(3) . . . . ?
B3 C1 B2 B7 38.4(2) . . . . ?
B4 C1 B2 B7 0.6(3) . . . . ?
B5 C1 B2 B7 -66.3(3) . . . . ?
B1 C1 B2 B3 113.4(3) . . . . ?
C2 C1 B2 B3 -137.5(3) . . . . ?
B4 C1 B2 B3 -37.8(3) . . . . ?
B5 C1 B2 B3 -104.8(3) . . . . ?
C5 C2 B2 C1 110.2(3) . . . . ?
B6 C2 B2 C1 -138.6(2) . . . . ?
B10 C2 B2 C1 -101.2(3) . . . . ?
B5 C2 B2 C1 -33.4(2) . . . . ?
C5 C2 B2 B6 -111.2(3) . . . . ?
B10 C2 B2 B6 37.5(3) . . . . ?
C1 C2 B2 B6 138.6(2) . . . . ?
B5 C2 B2 B6 105.2(3) . . . . ?
C5 C2 B2 B7 -150.0(3) . . . . ?
B6 C2 B2 B7 -38.8(2) . . . . ?
B10 C2 B2 B7 -1.4(3) . . . . ?
C1 C2 B2 B7 99.8(3) . . . . ?
B5 C2 B2 B7 66.4(3) . . . . ?
C5 C2 B2 B3 147.3(3) . . . . ?
B6 C2 B2 B3 -101.6(3) . . . . ?
B10 C2 B2 B3 -64.1(3) . . . . ?
C1 C2 B2 B3 37.1(2) . . . . ?
B5 C2 B2 B3 3.7(3) . . . . ?
C3 B15 B19 B14 38.2(2) . . . . ?
C4 B15 B19 B14 100.7(3) . . . . ?
B20 B15 B19 B14 138.4(3) . . . . ?
C3 B15 B19 B20 -100.2(3) . . . . ?
C4 B15 B19 B20 -37.7(2) . . . . ?
B14 B15 B19 B20 -138.4(3) . . . . ?
C3 B15 B19 B21 -62.4(3) . . . . ?
C4 B15 B19 B21 0.1(3) . . . . ?
B14 B15 B19 B21 -100.6(3) . . . . ?
B20 B15 B19 B21 37.8(3) . . . . ?
C3 B15 B19 B18 1.0(3) . . . . ?
C4 B15 B19 B18 63.5(3) . . . . ?
B14 B15 B19 B18 -37.2(2) . . . . ?
B20 B15 B19 B18 101.3(3) . . . . ?
B21 B18 B19 B14 -138.5(3) . . . . ?
B17 B18 B19 B14 -100.2(3) . . . . ?
B13 B18 B19 B14 -37.2(2) . . . . ?
B14 B18 B19 B20 100.8(3) . . . . ?
B21 B18 B19 B20 -37.7(3) . . . . ?
B17 B18 B19 B20 0.6(4) . . . . ?
B13 B18 B19 B20 63.6(3) . . . . ?
B14 B18 B19 B21 138.5(3) . . . . ?
B17 B18 B19 B21 38.2(3) . . . . ?
B13 B18 B19 B21 101.2(3) . . . . ?
B14 B18 B19 B15 37.3(2) . . . . ?
B21 B18 B19 B15 -101.2(3) . . . . ?
B17 B18 B19 B15 -63.0(3) . . . . ?
B13 B18 B19 B15 0.0(3) . . . . ?
B1 C1 B4 B5 106.2(3) . . . . ?
B2 C1 B4 B5 -102.3(3) . . . . ?
C2 C1 B4 B5 -36.9(2) . . . . ?
B3 C1 B4 B5 -140.1(3) . . . . ?
B1 C1 B4 B8 -152.4(3) . . . . ?
B2 C1 B4 B8 -0.9(3) . . . . ?
C2 C1 B4 B8 64.4(3) . . . . ?
B3 C1 B4 B8 -38.7(2) . . . . ?
B5 C1 B4 B8 101.3(3) . . . . ?
B1 C1 B4 B9 145.0(3) . . . . ?
B2 C1 B4 B9 -63.5(3) . . . . ?
C2 C1 B4 B9 1.9(3) . . . . ?
B3 C1 B4 B9 -101.3(3) . . . . ?
B5 C1 B4 B9 38.8(2) . . . . ?
B1 C1 B4 B3 -113.7(3) . . . . ?
B2 C1 B4 B3 37.8(3) . . . . ?
C2 C1 B4 B3 103.2(3) . . . . ?
B5 C1 B4 B3 140.1(3) . . . . ?
B1 C1 B3 B8 148.2(3) . . . . ?
B2 C1 B3 B8 -101.4(3) . . . . ?
C2 C1 B3 B8 -62.6(3) . . . . ?
B4 C1 B3 B8 39.2(3) . . . . ?
B5 C1 B3 B8 1.7(3) . . . . ?
B1 C1 B3 B7 -148.6(3) . . . . ?
B2 C1 B3 B7 -38.3(2) . . . . ?
C2 C1 B3 B7 0.5(3) . . . . ?
B4 C1 B3 B7 102.4(3) . . . . ?
B5 C1 B3 B7 64.9(3) . . . . ?
B1 C1 B3 B2 -110.3(3) . . . . ?
C2 C1 B3 B2 38.8(2) . . . . ?
B4 C1 B3 B2 140.6(3) . . . . ?
B5 C1 B3 B2 103.2(3) . . . . ?
B1 C1 B3 B4 109.1(3) . . . . ?
B2 C1 B3 B4 -140.6(3) . . . . ?
C2 C1 B3 B4 -101.8(3) . . . . ?
B5 C1 B3 B4 -37.5(3) . . . . ?
C2 B2 B3 C1 -37.5(2) . . . . ?
B6 B2 B3 C1 -98.9(3) . . . . ?
B7 B2 B3 C1 -136.4(3) . . . . ?
C1 B2 B3 B8 98.0(3) . . . . ?
C2 B2 B3 B8 60.5(3) . . . . ?
B6 B2 B3 B8 -0.9(3) . . . . ?
B7 B2 B3 B8 -38.4(2) . . . . ?
C1 B2 B3 B7 136.4(3) . . . . ?
C2 B2 B3 B7 98.9(3) . . . . ?
B6 B2 B3 B7 37.5(2) . . . . ?
C1 B2 B3 B4 34.6(2) . . . . ?
C2 B2 B3 B4 -2.9(3) . . . . ?
B6 B2 B3 B4 -64.3(3) . . . . ?
B7 B2 B3 B4 -101.8(3) . . . . ?
B5 B4 B3 C1 35.8(2) . . . . ?
B8 B4 B3 C1 135.5(3) . . . . ?
B9 B4 B3 C1 98.5(3) . . . . ?
C1 B4 B3 B8 -135.5(3) . . . . ?
B5 B4 B3 B8 -99.7(3) . . . . ?
B9 B4 B3 B8 -37.0(3) . . . . ?
C1 B4 B3 B7 -97.7(3) . . . . ?
B5 B4 B3 B7 -61.9(3) . . . . ?
B8 B4 B3 B7 37.8(2) . . . . ?
B9 B4 B3 B7 0.8(3) . . . . ?
C1 B4 B3 B2 -34.6(2) . . . . ?
B5 B4 B3 B2 1.2(3) . . . . ?
B8 B4 B3 B2 100.9(3) . . . . ?
B9 B4 B3 B2 63.9(3) . . . . ?
C5 C2 B10 B5 -109.3(3) . . . . ?
B6 C2 B10 B5 140.3(3) . . . . ?
C1 C2 B10 B5 38.3(2) . . . . ?
B2 C2 B10 B5 103.2(3) . . . . ?
C5 C2 B10 B6 110.4(3) . . . . ?
C1 C2 B10 B6 -102.0(3) . . . . ?
B5 C2 B10 B6 -140.3(3) . . . . ?
B2 C2 B10 B6 -37.1(2) . . . . ?
C5 C2 B10 B9 -147.9(3) . . . . ?
B6 C2 B10 B9 101.7(3) . . . . ?
C1 C2 B10 B9 -0.3(3) . . . . ?
B5 C2 B10 B9 -38.6(2) . . . . ?
B2 C2 B10 B9 64.6(3) . . . . ?
C5 C2 B10 B11 149.2(3) . . . . ?
B6 C2 B10 B11 38.8(3) . . . . ?
C1 C2 B10 B11 -63.2(3) . . . . ?
B5 C2 B10 B11 -101.5(3) . . . . ?
B2 C2 B10 B11 1.7(3) . . . . ?
B14 B19 B21 B16 -63.6(3) . . . . ?
B20 B19 B21 B16 37.6(3) . . . . ?
B15 B19 B21 B16 -0.2(4) . . . . ?
B18 B19 B21 B16 -100.5(3) . . . . ?
B14 B19 B21 B18 37.0(2) . . . . ?
B20 B19 B21 B18 138.1(3) . . . . ?
B15 B19 B21 B18 100.4(3) . . . . ?
B14 B19 B21 B20 -101.1(3) . . . . ?
B15 B19 B21 B20 -37.7(3) . . . . ?
B18 B19 B21 B20 -138.1(3) . . . . ?
B14 B19 B21 B17 -0.8(3) . . . . ?
B20 B19 B21 B17 100.3(3) . . . . ?
B15 B19 B21 B17 62.5(3) . . . . ?
B18 B19 B21 B17 -37.8(3) . . . . ?
B14 B18 B21 B16 63.8(3) . . . . ?
B17 B18 B21 B16 -36.8(3) . . . . ?
B19 B18 B21 B16 100.7(3) . . . . ?
B13 B18 B21 B16 0.5(4) . . . . ?
B14 B18 B21 B19 -36.9(3) . . . . ?
B17 B18 B21 B19 -137.4(3) . . . . ?
B13 B18 B21 B19 -100.2(3) . . . . ?
B14 B18 B21 B20 0.4(4) . . . . ?
B17 B18 B21 B20 -100.1(3) . . . . ?
B19 B18 B21 B20 37.3(3) . . . . ?
B13 B18 B21 B20 -62.9(3) . . . . ?
B14 B18 B21 B17 100.6(3) . . . . ?
B19 B18 B21 B17 137.4(3) . . . . ?
B13 B18 B21 B17 37.2(3) . . . . ?
C2 B10 B11 B6 -38.1(2) . . . . ?
B5 B10 B11 B6 -100.3(3) . . . . ?
B9 B10 B11 B6 -137.9(3) . . . . ?
C2 B10 B11 B8 62.4(3) . . . . ?
B5 B10 B11 B8 0.3(3) . . . . ?
B6 B10 B11 B8 100.6(3) . . . . ?
B9 B10 B11 B8 -37.3(3) . . . . ?
C2 B10 B11 B7 -1.3(4) . . . . ?
B5 B10 B11 B7 -63.4(3) . . . . ?
B6 B10 B11 B7 36.9(3) . . . . ?
B9 B10 B11 B7 -101.0(3) . . . . ?
C2 B10 B11 B9 99.7(3) . . . . ?
B5 B10 B11 B9 37.6(3) . . . . ?
B6 B10 B11 B9 137.9(3) . . . . ?
C1 B2 B7 B6 100.3(3) . . . . ?
C2 B2 B7 B6 38.0(2) . . . . ?
B3 B2 B7 B6 138.2(3) . . . . ?
C1 B2 B7 B3 -37.9(2) . . . . ?
C2 B2 B7 B3 -100.2(3) . . . . ?
B6 B2 B7 B3 -138.2(3) . . . . ?
C1 B2 B7 B11 62.9(3) . . . . ?
C2 B2 B7 B11 0.5(3) . . . . ?
B6 B2 B7 B11 -37.5(2) . . . . ?
B3 B2 B7 B11 100.7(3) . . . . ?
C1 B2 B7 B8 0.0(3) . . . . ?
C2 B2 B7 B8 -62.4(3) . . . . ?
B6 B2 B7 B8 -100.4(3) . . . . ?
B3 B2 B7 B8 37.8(2) . . . . ?
C1 B3 B7 B2 37.8(2) . . . . ?
B8 B3 B7 B2 137.2(3) . . . . ?
B4 B3 B7 B2 99.6(3) . . . . ?
C1 B3 B7 B6 0.5(3) . . . . ?
B8 B3 B7 B6 100.0(3) . . . . ?
B2 B3 B7 B6 -37.3(2) . . . . ?
B4 B3 B7 B6 62.3(3) . . . . ?
C1 B3 B7 B11 -62.8(3) . . . . ?
B8 B3 B7 B11 36.7(2) . . . . ?
B2 B3 B7 B11 -100.6(3) . . . . ?
B4 B3 B7 B11 -1.0(3) . . . . ?
C1 B3 B7 B8 -99.4(3) . . . . ?
B2 B3 B7 B8 -137.2(3) . . . . ?
B4 B3 B7 B8 -37.6(2) . . . . ?
B6 B11 B7 B2 37.4(2) . . . . ?
B8 B11 B7 B2 -100.1(3) . . . . ?
B10 B11 B7 B2 0.5(4) . . . . ?
B9 B11 B7 B2 -62.8(3) . . . . ?
B8 B11 B7 B6 -137.5(3) . . . . ?
B10 B11 B7 B6 -36.9(3) . . . . ?
B9 B11 B7 B6 -100.2(3) . . . . ?
B6 B11 B7 B3 100.9(3) . . . . ?
B8 B11 B7 B3 -36.6(2) . . . . ?
B10 B11 B7 B3 64.0(3) . . . . ?
B9 B11 B7 B3 0.8(3) . . . . ?
B6 B11 B7 B8 137.5(3) . . . . ?
B10 B11 B7 B8 100.6(3) . . . . ?
B9 B11 B7 B8 37.3(2) . . . . ?
B1 C3 B13 B14 115.7(3) . . . . ?
B15 C3 B13 B14 -36.5(3) . . . . ?
C4 C3 B13 B14 -101.4(3) . . . . ?
B12 C3 B13 B14 -139.3(3) . . . . ?
B1 C3 B13 B17 -143.2(3) . . . . ?
B14 C3 B13 B17 101.0(3) . . . . ?
B15 C3 B13 B17 64.6(3) . . . . ?
C4 C3 B13 B17 -0.4(3) . . . . ?
B12 C3 B13 B17 -38.3(3) . . . . ?
B1 C3 B13 B12 -105.0(3) . . . . ?
B14 C3 B13 B12 139.3(3) . . . . ?
B15 C3 B13 B12 102.8(3) . . . . ?
C4 C3 B13 B12 37.9(2) . . . . ?
B1 C3 B13 B18 154.0(3) . . . . ?
B14 C3 B13 B18 38.3(2) . . . . ?
B15 C3 B13 B18 1.8(3) . . . . ?
C4 C3 B13 B18 -63.1(3) . . . . ?
B12 C3 B13 B18 -101.0(3) . . . . ?
B14 B18 B13 C3 -38.2(2) . . . . ?
B21 B18 B13 C3 62.1(3) . . . . ?
B17 B18 B13 C3 99.7(3) . . . . ?
B19 B18 B13 C3 -1.1(3) . . . . ?
B21 B18 B13 B14 100.2(3) . . . . ?
B17 B18 B13 B14 137.9(3) . . . . ?
B19 B18 B13 B14 37.1(2) . . . . ?
B14 B18 B13 B17 -137.9(3) . . . . ?
B21 B18 B13 B17 -37.6(3) . . . . ?
B19 B18 B13 B17 -100.8(3) . . . . ?
B14 B18 B13 B12 -101.0(3) . . . . ?
B21 B18 B13 B12 -0.7(3) . . . . ?
B17 B18 B13 B12 36.9(2) . . . . ?
B19 B18 B13 B12 -63.9(3) . . . . ?
B1 C3 B14 B19 149.4(3) . . . . ?
B13 C3 B14 B19 -102.5(3) . . . . ?
B15 C3 B14 B19 39.0(2) . . . . ?
C4 C3 B14 B19 0.0(3) . . . . ?
B12 C3 B14 B19 -64.2(3) . . . . ?
B1 C3 B14 B18 -147.0(3) . . . . ?
B13 C3 B14 B18 -38.9(3) . . . . ?
B15 C3 B14 B18 102.6(3) . . . . ?
C4 C3 B14 B18 63.6(3) . . . . ?
B12 C3 B14 B18 -0.6(3) . . . . ?
B1 C3 B14 B15 110.4(3) . . . . ?
B13 C3 B14 B15 -141.5(3) . . . . ?
C4 C3 B14 B15 -39.0(2) . . . . ?
B12 C3 B14 B15 -103.2(3) . . . . ?
B1 C3 B14 B13 -108.1(3) . . . . ?
B15 C3 B14 B13 141.5(3) . . . . ?
C4 C3 B14 B13 102.5(3) . . . . ?
B12 C3 B14 B13 38.3(3) . . . . ?
B20 B19 B14 C3 -1.2(3) . . . . ?
B21 B19 B14 C3 62.6(3) . . . . ?
B15 B19 B14 C3 -38.5(2) . . . . ?
B18 B19 B14 C3 99.7(3) . . . . ?
B20 B19 B14 B18 -100.9(3) . . . . ?
B21 B19 B14 B18 -37.1(2) . . . . ?
B15 B19 B14 B18 -138.2(3) . . . . ?
B20 B19 B14 B15 37.3(2) . . . . ?
B21 B19 B14 B15 101.1(3) . . . . ?
B18 B19 B14 B15 138.2(3) . . . . ?
B20 B19 B14 B13 -63.0(3) . . . . ?
B21 B19 B14 B13 0.8(3) . . . . ?
B15 B19 B14 B13 -100.3(3) . . . . ?
B18 B19 B14 B13 37.9(2) . . . . ?
B21 B18 B14 C3 -63.3(3) . . . . ?
B17 B18 B14 C3 0.6(3) . . . . ?
B19 B18 B14 C3 -100.2(3) . . . . ?
B13 B18 B14 C3 38.0(2) . . . . ?
B21 B18 B14 B19 36.9(3) . . . . ?
B17 B18 B14 B19 100.8(3) . . . . ?
B13 B18 B14 B19 138.2(3) . . . . ?
B21 B18 B14 B15 -0.9(4) . . . . ?
B17 B18 B14 B15 63.0(3) . . . . ?
B19 B18 B14 B15 -37.8(2) . . . . ?
B13 B18 B14 B15 100.4(3) . . . . ?
B21 B18 B14 B13 -101.3(3) . . . . ?
B17 B18 B14 B13 -37.4(3) . . . . ?
B19 B18 B14 B13 -138.2(3) . . . . ?
C4 B15 B14 C3 38.4(2) . . . . ?
B19 B15 B14 C3 136.1(3) . . . . ?
B20 B15 B14 C3 99.1(3) . . . . ?
C3 B15 B14 B19 -136.1(3) . . . . ?
C4 B15 B14 B19 -97.7(3) . . . . ?
B20 B15 B14 B19 -37.0(2) . . . . ?
C3 B15 B14 B18 -98.2(3) . . . . ?
C4 B15 B14 B18 -59.8(3) . . . . ?
B19 B15 B14 B18 37.9(2) . . . . ?
B20 B15 B14 B18 0.9(3) . . . . ?
C3 B15 B14 B13 -33.9(2) . . . . ?
C4 B15 B14 B13 4.4(3) . . . . ?
B19 B15 B14 B13 102.2(3) . . . . ?
B20 B15 B14 B13 65.2(3) . . . . ?
B17 B13 B14 C3 -98.7(3) . . . . ?
B12 B13 B14 C3 -36.4(2) . . . . ?
B18 B13 B14 C3 -136.2(3) . . . . ?
C3 B13 B14 B19 98.3(3) . . . . ?
B17 B13 B14 B19 -0.4(3) . . . . ?
B12 B13 B14 B19 61.9(3) . . . . ?
B18 B13 B14 B19 -38.0(2) . . . . ?
C3 B13 B14 B18 136.2(3) . . . . ?
B17 B13 B14 B18 37.5(2) . . . . ?
B12 B13 B14 B18 99.9(3) . . . . ?
C3 B13 B14 B15 34.2(2) . . . . ?
B17 B13 B14 B15 -64.5(3) . . . . ?
B12 B13 B14 B15 -2.2(3) . . . . ?
B18 B13 B14 B15 -102.0(3) . . . . ?
C15 C4 B20 B19 -148.2(3) . . . . ?
B16 C4 B20 B19 100.6(3) . . . . ?
C3 C4 B20 B19 -2.0(3) . . . . ?
B15 C4 B20 B19 -39.2(2) . . . . ?
B12 C4 B20 B19 63.6(3) . . . . ?
C15 C4 B20 B16 111.2(3) . . . . ?
C3 C4 B20 B16 -102.6(3) . . . . ?
B15 C4 B20 B16 -139.8(3) . . . . ?
B12 C4 B20 B16 -37.0(3) . . . . ?
C15 C4 B20 B15 -109.0(3) . . . . ?
B16 C4 B20 B15 139.8(3) . . . . ?
C3 C4 B20 B15 37.2(2) . . . . ?
B12 C4 B20 B15 102.8(3) . . . . ?
C15 C4 B20 B21 149.1(3) . . . . ?
B16 C4 B20 B21 37.9(2) . . . . ?
C3 C4 B20 B21 -64.7(3) . . . . ?
B15 C4 B20 B21 -101.9(3) . . . . ?
B12 C4 B20 B21 0.9(3) . . . . ?
B14 B19 B20 C4 2.0(3) . . . . ?
B21 B19 B20 C4 -98.7(3) . . . . ?
B15 B19 B20 C4 39.1(2) . . . . ?
B18 B19 B20 C4 -61.2(3) . . . . ?
B14 B19 B20 B16 63.5(3) . . . . ?
B21 B19 B20 B16 -37.2(3) . . . . ?
B15 B19 B20 B16 100.7(3) . . . . ?
B18 B19 B20 B16 0.3(3) . . . . ?
B14 B19 B20 B15 -37.2(2) . . . . ?
B21 B19 B20 B15 -137.9(3) . . . . ?
B18 B19 B20 B15 -100.4(3) . . . . ?
B14 B19 B20 B21 100.7(3) . . . . ?
B15 B19 B20 B21 137.9(3) . . . . ?
B18 B19 B20 B21 37.5(3) . . . . ?
C3 B15 B20 C4 -36.6(2) . . . . ?
B14 B15 B20 C4 -98.7(3) . . . . ?
B19 B15 B20 C4 -135.6(3) . . . . ?
C3 B15 B20 B19 99.1(3) . . . . ?
C4 B15 B20 B19 135.6(3) . . . . ?
B14 B15 B20 B19 36.9(2) . . . . ?
C3 B15 B20 B16 -1.3(3) . . . . ?
C4 B15 B20 B16 35.3(2) . . . . ?
B14 B15 B20 B16 -63.4(3) . . . . ?
B19 B15 B20 B16 -100.4(3) . . . . ?
C3 B15 B20 B21 61.5(3) . . . . ?
C4 B15 B20 B21 98.0(3) . . . . ?
B14 B15 B20 B21 -0.7(4) . . . . ?
B19 B15 B20 B21 -37.6(3) . . . . ?
B16 B21 B20 C4 -37.5(2) . . . . ?
B19 B21 B20 C4 100.4(3) . . . . ?
B18 B21 B20 C4 62.9(3) . . . . ?
B17 B21 B20 C4 -0.1(3) . . . . ?
B16 B21 B20 B19 -137.9(3) . . . . ?
B18 B21 B20 B19 -37.5(3) . . . . ?
B17 B21 B20 B19 -100.6(3) . . . . ?
B19 B21 B20 B16 137.9(3) . . . . ?
B18 B21 B20 B16 100.4(3) . . . . ?
B17 B21 B20 B16 37.4(3) . . . . ?
B16 B21 B20 B15 -100.3(3) . . . . ?
B19 B21 B20 B15 37.7(3) . . . . ?
B18 B21 B20 B15 0.1(4) . . . . ?
B17 B21 B20 B15 -62.9(3) . . . . ?
C15 C4 B12 C3 111.7(3) . . . . ?
B20 C4 B12 C3 -100.5(3) . . . . ?
B16 C4 B12 C3 -138.0(3) . . . . ?
B15 C4 B12 C3 -32.4(2) . . . . ?
C15 C4 B12 B17 -149.1(3) . . . . ?
B20 C4 B12 B17 -1.3(3) . . . . ?
B16 C4 B12 B17 -38.7(3) . . . . ?
C3 C4 B12 B17 99.2(3) . . . . ?
B15 C4 B12 B17 66.8(3) . . . . ?
C15 C4 B12 B16 -110.3(3) . . . . ?
B20 C4 B12 B16 37.5(3) . . . . ?
C3 C4 B12 B16 138.0(3) . . . . ?
B15 C4 B12 B16 105.6(3) . . . . ?
C15 C4 B12 B13 148.0(3) . . . . ?
B20 C4 B12 B13 -64.2(3) . . . . ?
B16 C4 B12 B13 -101.7(3) . . . . ?
C3 C4 B12 B13 36.3(2) . . . . ?
B15 C4 B12 B13 3.9(3) . . . . ?
B1 C3 B12 C4 -110.9(3) . . . . ?
B13 C3 B12 C4 137.9(3) . . . . ?
B14 C3 B12 C4 99.5(3) . . . . ?
B15 C3 B12 C4 32.6(2) . . . . ?
B1 C3 B12 B17 149.9(3) . . . . ?
B13 C3 B12 B17 38.7(3) . . . . ?
B14 C3 B12 B17 0.3(3) . . . . ?
B15 C3 B12 B17 -66.6(3) . . . . ?
C4 C3 B12 B17 -99.2(3) . . . . ?
B1 C3 B12 B16 -147.1(3) . . . . ?
B13 C3 B12 B16 101.7(3) . . . . ?
B14 C3 B12 B16 63.2(3) . . . . ?
B15 C3 B12 B16 -3.7(3) . . . . ?
C4 C3 B12 B16 -36.2(2) . . . . ?
B1 C3 B12 B13 111.2(3) . . . . ?
B14 C3 B12 B13 -38.4(3) . . . . ?
B15 C3 B12 B13 -105.3(3) . . . . ?
C4 C3 B12 B13 -137.9(3) . . . . ?
C3 B13 B12 C4 -37.0(2) . . . . ?
B14 B13 B12 C4 -1.0(3) . . . . ?
B17 B13 B12 C4 99.1(3) . . . . ?
B18 B13 B12 C4 61.7(3) . . . . ?
B14 B13 B12 C3 36.1(2) . . . . ?
B17 B13 B12 C3 136.1(3) . . . . ?
B18 B13 B12 C3 98.7(3) . . . . ?
C3 B13 B12 B17 -136.1(3) . . . . ?
B14 B13 B12 B17 -100.0(3) . . . . ?
B18 B13 B12 B17 -37.3(3) . . . . ?
C3 B13 B12 B16 -98.0(3) . . . . ?
B14 B13 B12 B16 -62.0(3) . . . . ?
B17 B13 B12 B16 38.1(3) . . . . ?
B18 B13 B12 B16 0.7(3) . . . . ?
C5 C2 B5 C1 -110.1(3) . . . . ?
B6 C2 B5 C1 100.5(3) . . . . ?
B10 C2 B5 C1 138.5(3) . . . . ?
B2 C2 B5 C1 32.9(2) . . . . ?
C5 C2 B5 B9 150.6(3) . . . . ?
B6 C2 B5 B9 1.1(3) . . . . ?
B10 C2 B5 B9 39.2(3) . . . . ?
C1 C2 B5 B9 -99.3(3) . . . . ?
B2 C2 B5 B9 -66.5(3) . . . . ?
C5 C2 B5 B10 111.4(3) . . . . ?
B6 C2 B5 B10 -38.1(3) . . . . ?
C1 C2 B5 B10 -138.5(3) . . . . ?
B2 C2 B5 B10 -105.6(3) . . . . ?
C5 C2 B5 B4 -145.9(3) . . . . ?
B6 C2 B5 B4 64.7(3) . . . . ?
B10 C2 B5 B4 102.7(3) . . . . ?
C1 C2 B5 B4 -35.8(2) . . . . ?
B2 C2 B5 B4 -2.9(3) . . . . ?
B1 C1 B5 C2 110.4(3) . . . . ?
B2 C1 B5 C2 -33.0(2) . . . . ?
B3 C1 B5 C2 -100.9(3) . . . . ?
B4 C1 B5 C2 -138.9(3) . . . . ?
B1 C1 B5 B9 -150.0(3) . . . . ?
B2 C1 B5 B9 66.5(3) . . . . ?
C2 C1 B5 B9 99.5(3) . . . . ?
B3 C1 B5 B9 -1.4(3) . . . . ?
B4 C1 B5 B9 -39.4(2) . . . . ?
B1 C1 B5 B10 146.6(3) . . . . ?
B2 C1 B5 B10 3.1(3) . . . . ?
C2 C1 B5 B10 36.2(2) . . . . ?
B3 C1 B5 B10 -64.8(3) . . . . ?
B4 C1 B5 B10 -102.7(3) . . . . ?
B1 C1 B5 B4 -110.7(3) . . . . ?
B2 C1 B5 B4 105.9(3) . . . . ?
C2 C1 B5 B4 138.9(3) . . . . ?
B3 C1 B5 B4 38.0(3) . . . . ?
B6 B10 B5 C2 34.8(2) . . . . ?
B9 B10 B5 C2 135.9(3) . . . . ?
B11 B10 B5 C2 97.9(3) . . . . ?
C2 B10 B5 C1 -36.4(2) . . . . ?
B6 B10 B5 C1 -1.6(3) . . . . ?
B9 B10 B5 C1 99.4(3) . . . . ?
B11 B10 B5 C1 61.4(3) . . . . ?
C2 B10 B5 B9 -135.9(3) . . . . ?
B6 B10 B5 B9 -101.1(3) . . . . ?
B11 B10 B5 B9 -38.0(3) . . . . ?
C2 B10 B5 B4 -98.2(3) . . . . ?
B6 B10 B5 B4 -63.4(3) . . . . ?
B9 B10 B5 B4 37.7(3) . . . . ?
B11 B10 B5 B4 -0.3(3) . . . . ?
C1 B4 B5 C2 36.1(2) . . . . ?
B8 B4 B5 C2 -61.7(3) . . . . ?
B9 B4 B5 C2 -99.5(3) . . . . ?
B3 B4 B5 C2 1.0(3) . . . . ?
B8 B4 B5 C1 -97.8(3) . . . . ?
B9 B4 B5 C1 -135.6(3) . . . . ?
B3 B4 B5 C1 -35.1(2) . . . . ?
C1 B4 B5 B9 135.6(3) . . . . ?
B8 B4 B5 B9 37.8(3) . . . . ?
B3 B4 B5 B9 100.5(3) . . . . ?
C1 B4 B5 B10 98.0(3) . . . . ?
B8 B4 B5 B10 0.2(3) . . . . ?
B9 B4 B5 B10 -37.6(3) . . . . ?
B3 B4 B5 B10 62.9(3) . . . . ?
C4 B12 B17 B16 37.7(2) . . . . ?
C3 B12 B17 B16 99.9(3) . . . . ?
B13 B12 B17 B16 137.6(3) . . . . ?
C4 B12 B17 B13 -99.9(3) . . . . ?
C3 B12 B17 B13 -37.7(2) . . . . ?
B16 B12 B17 B13 -137.6(3) . . . . ?
C4 B12 B17 B18 -62.1(3) . . . . ?
C3 B12 B17 B18 0.1(4) . . . . ?
B16 B12 B17 B18 -99.8(3) . . . . ?
B13 B12 B17 B18 37.8(3) . . . . ?
C4 B12 B17 B21 1.1(3) . . . . ?
C3 B12 B17 B21 63.3(3) . . . . ?
B16 B12 B17 B21 -36.6(3) . . . . ?
B13 B12 B17 B21 101.0(3) . . . . ?
C3 B13 B17 B12 38.7(2) . . . . ?
B14 B13 B17 B12 100.8(3) . . . . ?
B18 B13 B17 B12 138.1(3) . . . . ?
C3 B13 B17 B16 0.6(4) . . . . ?
B14 B13 B17 B16 62.7(3) . . . . ?
B12 B13 B17 B16 -38.1(3) . . . . ?
B18 B13 B17 B16 100.0(3) . . . . ?
C3 B13 B17 B18 -99.4(3) . . . . ?
B14 B13 B17 B18 -37.3(2) . . . . ?
B12 B13 B17 B18 -138.1(3) . . . . ?
C3 B13 B17 B21 -62.2(3) . . . . ?
B14 B13 B17 B21 -0.1(3) . . . . ?
B12 B13 B17 B21 -100.9(3) . . . . ?
B18 B13 B17 B21 37.2(3) . . . . ?
B14 B18 B17 B12 -0.4(4) . . . . ?
B21 B18 B17 B12 100.3(3) . . . . ?
B19 B18 B17 B12 62.4(4) . . . . ?
B13 B18 B17 B12 -37.9(3) . . . . ?
B14 B18 B17 B16 -64.1(3) . . . . ?
B21 B18 B17 B16 36.7(3) . . . . ?
B19 B18 B17 B16 -1.2(4) . . . . ?
B13 B18 B17 B16 -101.6(3) . . . . ?
B14 B18 B17 B13 37.5(3) . . . . ?
B21 B18 B17 B13 138.3(3) . . . . ?
B19 B18 B17 B13 100.4(3) . . . . ?
B14 B18 B17 B21 -100.7(3) . . . . ?
B19 B18 B17 B21 -37.9(3) . . . . ?
B13 B18 B17 B21 -138.3(3) . . . . ?
B16 B21 B17 B12 37.0(3) . . . . ?
B19 B21 B17 B12 -63.5(3) . . . . ?
B18 B21 B17 B12 -101.5(3) . . . . ?
B20 B21 B17 B12 -0.6(4) . . . . ?
B19 B21 B17 B16 -100.5(3) . . . . ?
B18 B21 B17 B16 -138.5(3) . . . . ?
B20 B21 B17 B16 -37.6(3) . . . . ?
B16 B21 B17 B13 101.1(3) . . . . ?
B19 B21 B17 B13 0.6(4) . . . . ?
B18 B21 B17 B13 -37.4(3) . . . . ?
B20 B21 B17 B13 63.5(3) . . . . ?
B16 B21 B17 B18 138.5(3) . . . . ?
B19 B21 B17 B18 38.0(2) . . . . ?
B20 B21 B17 B18 100.9(3) . . . . ?
C15 C4 B16 B21 -147.5(3) . . . . ?
B20 C4 B16 B21 -38.5(3) . . . . ?
C3 C4 B16 B21 64.4(3) . . . . ?
B15 C4 B16 B21 -0.1(4) . . . . ?
B12 C4 B16 B21 102.7(3) . . . . ?
C15 C4 B16 B12 109.8(3) . . . . ?
B20 C4 B16 B12 -141.2(3) . . . . ?
C3 C4 B16 B12 -38.2(2) . . . . ?
B15 C4 B16 B12 -102.8(3) . . . . ?
C15 C4 B16 B17 148.4(3) . . . . ?
B20 C4 B16 B17 -102.6(3) . . . . ?
C3 C4 B16 B17 0.4(3) . . . . ?
B15 C4 B16 B17 -64.2(3) . . . . ?
B12 C4 B16 B17 38.6(3) . . . . ?
C15 C4 B16 B20 -109.0(3) . . . . ?
C3 C4 B16 B20 103.0(3) . . . . ?
B15 C4 B16 B20 38.4(3) . . . . ?
B12 C4 B16 B20 141.2(3) . . . . ?
B19 B21 B16 C4 0.2(4) . . . . ?
B18 B21 B16 C4 -63.3(3) . . . . ?
B20 B21 B16 C4 37.6(3) . . . . ?
B17 B21 B16 C4 -100.2(3) . . . . ?
B19 B21 B16 B12 63.5(3) . . . . ?
B18 B21 B16 B12 0.0(4) . . . . ?
B20 B21 B16 B12 100.9(3) . . . . ?
B17 B21 B16 B12 -36.9(3) . . . . ?
B19 B21 B16 B17 100.4(3) . . . . ?
B18 B21 B16 B17 36.9(3) . . . . ?
B20 B21 B16 B17 137.8(3) . . . . ?
B19 B21 B16 B20 -37.4(3) . . . . ?
B18 B21 B16 B20 -100.9(3) . . . . ?
B17 B21 B16 B20 -137.8(3) . . . . ?
C3 B12 B16 C4 37.0(2) . . . . ?
B17 B12 B16 C4 136.0(3) . . . . ?
B13 B12 B16 C4 98.0(3) . . . . ?
C4 B12 B16 B21 -98.4(3) . . . . ?
C3 B12 B16 B21 -61.5(3) . . . . ?
B17 B12 B16 B21 37.6(3) . . . . ?
B13 B12 B16 B21 -0.4(4) . . . . ?
C4 B12 B16 B17 -136.0(3) . . . . ?
C3 B12 B16 B17 -99.1(3) . . . . ?
B13 B12 B16 B17 -38.1(3) . . . . ?
C4 B12 B16 B20 -34.2(2) . . . . ?
C3 B12 B16 B20 2.7(3) . . . . ?
B17 B12 B16 B20 101.8(3) . . . . ?
B13 B12 B16 B20 63.7(3) . . . . ?
B12 B17 B16 C4 -38.9(2) . . . . ?
B13 B17 B16 C4 -0.6(4) . . . . ?
B18 B17 B16 C4 63.1(3) . . . . ?
B21 B17 B16 C4 99.9(3) . . . . ?
B12 B17 B16 B21 -138.7(3) . . . . ?
B13 B17 B16 B21 -100.5(3) . . . . ?
B18 B17 B16 B21 -36.8(3) . . . . ?
B13 B17 B16 B12 38.3(3) . . . . ?
B18 B17 B16 B12 101.9(3) . . . . ?
B21 B17 B16 B12 138.7(3) . . . . ?
B12 B17 B16 B20 -100.5(3) . . . . ?
B13 B17 B16 B20 -62.2(4) . . . . ?
B18 B17 B16 B20 1.4(4) . . . . ?
B21 B17 B16 B20 38.2(3) . . . . ?
B19 B20 B16 C4 -99.1(3) . . . . ?
B15 B20 B16 C4 -35.8(2) . . . . ?
B21 B20 B16 C4 -136.6(3) . . . . ?
C4 B20 B16 B21 136.6(3) . . . . ?
B19 B20 B16 B21 37.5(3) . . . . ?
B15 B20 B16 B21 100.8(3) . . . . ?
C4 B20 B16 B12 34.9(2) . . . . ?
B19 B20 B16 B12 -64.2(3) . . . . ?
B15 B20 B16 B12 -0.9(3) . . . . ?
B21 B20 B16 B12 -101.7(3) . . . . ?
C4 B20 B16 B17 98.1(3) . . . . ?
B19 B20 B16 B17 -1.1(4) . . . . ?
B15 B20 B16 B17 62.3(3) . . . . ?
B21 B20 B16 B17 -38.5(3) . . . . ?
C5 C2 B6 B2 107.5(3) . . . . ?
B10 C2 B6 B2 -141.1(3) . . . . ?
C1 C2 B6 B2 -37.3(2) . . . . ?
B5 C2 B6 B2 -103.3(3) . . . . ?
C5 C2 B6 B7 146.5(3) . . . . ?
B10 C2 B6 B7 -102.1(3) . . . . ?
C1 C2 B6 B7 1.7(3) . . . . ?
B5 C2 B6 B7 -64.3(3) . . . . ?
B2 C2 B6 B7 39.0(2) . . . . ?
C5 C2 B6 B11 -150.5(3) . . . . ?
B10 C2 B6 B11 -39.0(3) . . . . ?
C1 C2 B6 B11 64.8(3) . . . . ?
B5 C2 B6 B11 -1.3(3) . . . . ?
B2 C2 B6 B11 102.0(3) . . . . ?
C5 C2 B6 B10 -111.5(3) . . . . ?
C1 C2 B6 B10 103.8(3) . . . . ?
B5 C2 B6 B10 37.8(3) . . . . ?
B2 C2 B6 B10 141.1(3) . . . . ?
C1 B2 B6 C2 36.6(2) . . . . ?
B7 B2 B6 C2 135.9(3) . . . . ?
B3 B2 B6 C2 98.5(3) . . . . ?
C1 B2 B6 B7 -99.3(3) . . . . ?
C2 B2 B6 B7 -135.9(3) . . . . ?
B3 B2 B6 B7 -37.4(2) . . . . ?
C1 B2 B6 B11 -61.5(3) . . . . ?
C2 B2 B6 B11 -98.1(3) . . . . ?
B7 B2 B6 B11 37.7(2) . . . . ?
B3 B2 B6 B11 0.3(3) . . . . ?
C1 B2 B6 B10 2.1(3) . . . . ?
C2 B2 B6 B10 -34.5(2) . . . . ?
B7 B2 B6 B10 101.4(3) . . . . ?
B3 B2 B6 B10 64.0(3) . . . . ?
B2 B7 B6 C2 -38.8(2) . . . . ?
B3 B7 B6 C2 -1.4(3) . . . . ?
B11 B7 B6 C2 99.1(3) . . . . ?
B8 B7 B6 C2 61.4(3) . . . . ?
B3 B7 B6 B2 37.5(2) . . . . ?
B11 B7 B6 B2 137.9(3) . . . . ?
B8 B7 B6 B2 100.3(3) . . . . ?
B2 B7 B6 B11 -137.9(3) . . . . ?
B3 B7 B6 B11 -100.5(3) . . . . ?
B8 B7 B6 B11 -37.7(3) . . . . ?
B2 B7 B6 B10 -100.8(3) . . . . ?
B3 B7 B6 B10 -63.3(3) . . . . ?
B11 B7 B6 B10 37.2(2) . . . . ?
B8 B7 B6 B10 -0.5(3) . . . . ?
B8 B11 B6 C2 -62.3(3) . . . . ?
B10 B11 B6 C2 38.4(2) . . . . ?
B7 B11 B6 C2 -100.3(3) . . . . ?
B9 B11 B6 C2 0.9(4) . . . . ?
B8 B11 B6 B2 0.4(3) . . . . ?
B10 B11 B6 B2 101.1(3) . . . . ?
B7 B11 B6 B2 -37.6(2) . . . . ?
B9 B11 B6 B2 63.6(3) . . . . ?
B8 B11 B6 B7 38.0(2) . . . . ?
B10 B11 B6 B7 138.7(3) . . . . ?
B9 B11 B6 B7 101.3(3) . . . . ?
B8 B11 B6 B10 -100.7(3) . . . . ?
B7 B11 B6 B10 -138.7(3) . . . . ?
B9 B11 B6 B10 -37.5(3) . . . . ?
B5 B10 B6 C2 -35.1(2) . . . . ?
B9 B10 B6 C2 -97.9(3) . . . . ?
B11 B10 B6 C2 -135.7(3) . . . . ?
C2 B10 B6 B2 34.8(2) . . . . ?
B5 B10 B6 B2 -0.3(3) . . . . ?
B9 B10 B6 B2 -63.0(3) . . . . ?
B11 B10 B6 B2 -100.9(3) . . . . ?
C2 B10 B6 B7 98.5(3) . . . . ?
B5 B10 B6 B7 63.4(3) . . . . ?
B9 B10 B6 B7 0.6(3) . . . . ?
B11 B10 B6 B7 -37.2(3) . . . . ?
C2 B10 B6 B11 135.7(3) . . . . ?
B5 B10 B6 B11 100.6(3) . . . . ?
B9 B10 B6 B11 37.8(3) . . . . ?
C1 B3 B8 B11 62.6(3) . . . . ?
B7 B3 B8 B11 -36.9(2) . . . . ?
B2 B3 B8 B11 1.1(3) . . . . ?
B4 B3 B8 B11 101.2(3) . . . . ?
C1 B3 B8 B4 -38.6(2) . . . . ?
B7 B3 B8 B4 -138.1(3) . . . . ?
B2 B3 B8 B4 -100.1(3) . . . . ?
C1 B3 B8 B9 -1.3(3) . . . . ?
B7 B3 B8 B9 -100.9(3) . . . . ?
B2 B3 B8 B9 -62.9(3) . . . . ?
B4 B3 B8 B9 37.2(3) . . . . ?
C1 B3 B8 B7 99.6(3) . . . . ?
B2 B3 B8 B7 38.0(2) . . . . ?
B4 B3 B8 B7 138.1(3) . . . . ?
B6 B11 B8 B3 -0.9(3) . . . . ?
B10 B11 B8 B3 -64.2(3) . . . . ?
B7 B11 B8 B3 36.9(2) . . . . ?
B9 B11 B8 B3 -101.4(3) . . . . ?
B6 B11 B8 B4 63.0(3) . . . . ?
B10 B11 B8 B4 -0.2(4) . . . . ?
B7 B11 B8 B4 100.8(3) . . . . ?
B9 B11 B8 B4 -37.4(3) . . . . ?
B6 B11 B8 B9 100.5(3) . . . . ?
B10 B11 B8 B9 37.2(3) . . . . ?
B7 B11 B8 B9 138.3(3) . . . . ?
B6 B11 B8 B7 -37.8(2) . . . . ?
B10 B11 B8 B7 -101.1(3) . . . . ?
B9 B11 B8 B7 -138.3(3) . . . . ?
C1 B4 B8 B3 38.3(2) . . . . ?
B5 B4 B8 B3 101.1(3) . . . . ?
B9 B4 B8 B3 138.6(3) . . . . ?
C1 B4 B8 B11 -62.7(3) . . . . ?
B5 B4 B8 B11 0.0(3) . . . . ?
B9 B4 B8 B11 37.5(3) . . . . ?
B3 B4 B8 B11 -101.0(3) . . . . ?
C1 B4 B8 B9 -100.3(3) . . . . ?
B5 B4 B8 B9 -37.5(2) . . . . ?
B3 B4 B8 B9 -138.6(3) . . . . ?
C1 B4 B8 B7 0.9(3) . . . . ?
B5 B4 B8 B7 63.6(3) . . . . ?
B9 B4 B8 B7 101.1(3) . . . . ?
B3 B4 B8 B7 -37.5(3) . . . . ?
B2 B7 B8 B3 -38.1(2) . . . . ?
B6 B7 B8 B3 -101.0(3) . . . . ?
B11 B7 B8 B3 -138.8(3) . . . . ?
B2 B7 B8 B11 100.7(3) . . . . ?
B6 B7 B8 B11 37.8(2) . . . . ?
B3 B7 B8 B11 138.8(3) . . . . ?
B2 B7 B8 B4 -0.5(4) . . . . ?
B6 B7 B8 B4 -63.4(3) . . . . ?
B3 B7 B8 B4 37.6(3) . . . . ?
B11 B7 B8 B4 -101.2(3) . . . . ?
B2 B7 B8 B9 63.1(3) . . . . ?
B6 B7 B8 B9 0.2(3) . . . . ?
B3 B7 B8 B9 101.3(3) . . . . ?
B11 B7 B8 B9 -37.5(3) . . . . ?
C2 B5 B9 B10 -38.3(2) . . . . ?
C1 B5 B9 B10 -100.2(3) . . . . ?
B4 B5 B9 B10 -138.5(3) . . . . ?
C2 B5 B9 B8 62.4(3) . . . . ?
C1 B5 B9 B8 0.5(3) . . . . ?
B10 B5 B9 B8 100.7(3) . . . . ?
B4 B5 B9 B8 -37.8(3) . . . . ?
C2 B5 B9 B4 100.3(3) . . . . ?
C1 B5 B9 B4 38.3(2) . . . . ?
B10 B5 B9 B4 138.5(3) . . . . ?
C2 B5 B9 B11 -0.5(4) . . . . ?
C1 B5 B9 B11 -62.4(3) . . . . ?
B10 B5 B9 B11 37.8(3) . . . . ?
B4 B5 B9 B11 -100.7(3) . . . . ?
C2 B10 B9 B5 38.5(2) . . . . ?
B6 B10 B9 B5 99.9(3) . . . . ?
B11 B10 B9 B5 137.5(3) . . . . ?
C2 B10 B9 B8 -61.8(3) . . . . ?
B5 B10 B9 B8 -100.4(3) . . . . ?
B6 B10 B9 B8 -0.5(4) . . . . ?
B11 B10 B9 B8 37.2(3) . . . . ?
C2 B10 B9 B4 1.4(3) . . . . ?
B5 B10 B9 B4 -37.1(2) . . . . ?
B6 B10 B9 B4 62.8(3) . . . . ?
B11 B10 B9 B4 100.4(3) . . . . ?
C2 B10 B9 B11 -99.0(3) . . . . ?
B5 B10 B9 B11 -137.5(3) . . . . ?
B6 B10 B9 B11 -37.6(3) . . . . ?
B3 B8 B9 B5 0.5(4) . . . . ?
B11 B8 B9 B5 -100.4(3) . . . . ?
B4 B8 B9 B5 37.9(3) . . . . ?
B7 B8 B9 B5 -63.0(3) . . . . ?
B3 B8 B9 B10 63.7(3) . . . . ?
B11 B8 B9 B10 -37.2(3) . . . . ?
B4 B8 B9 B10 101.0(3) . . . . ?
B7 B8 B9 B10 0.2(4) . . . . ?
B3 B8 B9 B4 -37.3(3) . . . . ?
B11 B8 B9 B4 -138.3(3) . . . . ?
B7 B8 B9 B4 -100.9(3) . . . . ?
B3 B8 B9 B11 100.9(3) . . . . ?
B4 B8 B9 B11 138.3(3) . . . . ?
B7 B8 B9 B11 37.4(3) . . . . ?
C1 B4 B9 B5 -39.1(2) . . . . ?
B8 B4 B9 B5 -137.4(3) . . . . ?
B3 B4 B9 B5 -100.6(3) . . . . ?
C1 B4 B9 B10 -2.0(3) . . . . ?
B5 B4 B9 B10 37.1(2) . . . . ?
B8 B4 B9 B10 -100.4(3) . . . . ?
B3 B4 B9 B10 -63.6(3) . . . . ?
C1 B4 B9 B8 98.3(3) . . . . ?
B5 B4 B9 B8 137.4(3) . . . . ?
B3 B4 B9 B8 36.8(2) . . . . ?
C1 B4 B9 B11 61.2(3) . . . . ?
B5 B4 B9 B11 100.4(3) . . . . ?
B8 B4 B9 B11 -37.1(2) . . . . ?
B3 B4 B9 B11 -0.3(3) . . . . ?
B6 B11 B9 B5 -0.3(4) . . . . ?
B8 B11 B9 B5 100.4(3) . . . . ?
B10 B11 B9 B5 -37.8(3) . . . . ?
B7 B11 B9 B5 62.9(3) . . . . ?
B6 B11 B9 B10 37.5(3) . . . . ?
B8 B11 B9 B10 138.2(3) . . . . ?
B7 B11 B9 B10 100.7(3) . . . . ?
B6 B11 B9 B8 -100.7(3) . . . . ?
B10 B11 B9 B8 -138.2(3) . . . . ?
B7 B11 B9 B8 -37.5(2) . . . . ?
B6 B11 B9 B4 -63.5(3) . . . . ?
B8 B11 B9 B4 37.2(3) . . . . ?
B10 B11 B9 B4 -101.0(3) . . . . ?
B7 B11 B9 B4 -0.3(3) . . . . ?

_refine_diff_density_max         1.226
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.090


_exptl_crystal_recrystallization_method 
'vapor diffusion by dichloromethane solution into toluene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2331153'
loop_
_audit_author_name
_audit_author_address
'Yijie Li'
;Baylor University
United States of America
;
_audit_update_record             
;
2024-02-09 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        2
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H33 B21'
_chemical_formula_weight         548.51

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.0576(8)
_cell_length_b                   12.2737(5)
_cell_length_c                   23.5735(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6092.7(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9459
_cell_measurement_theta_min      3.08
_cell_measurement_theta_max      27.08

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_F_000             2256
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.043
_exptl_absorpt_coefficient_mu    0.057
_shelx_estimated_absorpt_T_min   0.969
_shelx_estimated_absorpt_T_max   0.988
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.903
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_process_details   SADabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            86013
_diffrn_reflns_av_unetI/netI     0.0168
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.594
_diffrn_reflns_theta_max         25.682
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             5756
_reflns_number_gt                5402
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          Twin
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0558P)²+7.4585P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'DIRECT METHODS'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5756
_refine_ls_number_parameters     406
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0619
_refine_ls_wR_factor_ref         0.1532
_refine_ls_wR_factor_gt          0.1513
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001

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 0.00463(9) 0.16098(15) 0.32680(8) 0.0186(4) Uani 1 1 d . . . . .
C2 C -0.04493(9) 0.26654(15) 0.33086(8) 0.0196(4) Uani 1 1 d . . . . .
C5 C 0.11645(8) 0.12079(15) 0.39041(8) 0.0173(4) Uani 1 1 d . . . . .
C14 C 0.17956(8) 0.08624(15) 0.35076(8) 0.0191(4) Uani 1 1 d . . . . .
C3 C -0.01369(9) 0.35080(15) 0.36667(8) 0.0200(4) Uani 1 1 d . . . . .
C6 C -0.03753(9) 0.45168(16) 0.37763(8) 0.0233(4) Uani 1 1 d . . . . .
H6A H -0.0773 0.4730 0.3623 0.028 Uiso 1 1 calc R U . . .
C7 C -0.00236(9) 0.52483(16) 0.41224(8) 0.0234(4) Uani 1 1 d . . . . .
C8 C 0.05687(9) 0.49047(16) 0.43509(8) 0.0239(4) Uani 1 1 d . . . . .
C9 C 0.07990(9) 0.38524(16) 0.42246(9) 0.0239(4) Uani 1 1 d . . . . .
H9A H 0.1195 0.3627 0.4378 0.029 Uiso 1 1 calc R U . . .
C4 C 0.04634(9) 0.31408(15) 0.38829(8) 0.0207(4) Uani 1 1 d . . . . .
C10 C -0.02434(11) 0.63128(17) 0.42483(10) 0.0299(5) Uani 1 1 d . . . . .
H11A H -0.0635 0.6560 0.4094 0.036 Uiso 1 1 calc R U . . .
C11 C 0.01046(11) 0.69873(17) 0.45908(10) 0.0334(5) Uani 1 1 d . . . . .
H12A H -0.0048 0.7699 0.4671 0.040 Uiso 1 1 calc R U . . .
C12 C 0.06839(11) 0.66433(17) 0.48249(9) 0.0313(5) Uani 1 1 d . . . . .
H13A H 0.0917 0.7119 0.5065 0.038 Uiso 1 1 calc R U . . .
C13 C 0.09146(10) 0.56257(17) 0.47081(9) 0.0279(5) Uani 1 1 d . . . . .
H14A H 0.1308 0.5400 0.4866 0.033 Uiso 1 1 calc R U . . .
C15 C 0.18195(9) 0.12996(17) 0.29104(8) 0.0222(4) Uani 1 1 d . . . . .
C16 C 0.19235(9) 0.05984(17) 0.24723(9) 0.0233(4) Uani 1 1 d . . . . .
H16A H 0.1973 -0.0156 0.2550 0.028 Uiso 1 1 calc R U . . .
C17 C 0.19600(9) 0.09695(16) 0.18991(9) 0.0231(4) Uani 1 1 d . . . . .
C18 C 0.18772(9) 0.20946(17) 0.17928(9) 0.0263(4) Uani 1 1 d . . . . .
C19 C 0.17653(10) 0.28085(17) 0.22479(9) 0.0297(5) Uani 1 1 d . . . . .
H19A H 0.1710 0.3564 0.2177 0.036 Uiso 1 1 calc R U . . .
C20 C 0.17356(10) 0.24255(17) 0.27950(9) 0.0269(4) Uani 1 1 d . . . . .
H20A H 0.1658 0.2918 0.3098 0.032 Uiso 1 1 calc R U . . .
C21 C 0.20745(10) 0.02401(18) 0.14510(9) 0.0276(5) Uani 1 1 d . . . . .
H21A H 0.2125 -0.0515 0.1527 0.033 Uiso 1 1 calc R U . . .
C22 C 0.21137(10) 0.0616(2) 0.09084(9) 0.0324(5) Uani 1 1 d . . . . .
H22 H 0.2192 0.0121 0.0606 0.039 Uiso 1 1 calc R U . . .
C23 C 0.20374(11) 0.1745(2) 0.07917(9) 0.0355(5) Uani 1 1 d . . . . .
H23 H 0.2069 0.1999 0.0412 0.043 Uiso 1 1 calc R U . . .
C24 C 0.19202(10) 0.2465(2) 0.12155(9) 0.0326(5) Uani 1 1 d . . . . .
H24 H 0.1866 0.3216 0.1131 0.039 Uiso 1 1 calc R U . . .
B1 B 0.06107(10) 0.19711(17) 0.36785(9) 0.0189(4) Uani 1 1 d . . . . .
B2 B -0.06362(10) 0.14778(18) 0.36683(10) 0.0218(5) Uani 1 1 d . . . . .
H2 H -0.0640 0.1383 0.4141 0.026 Uiso 1 1 d R U . . .
B3 B -0.03753(10) 0.04124(18) 0.32122(10) 0.0225(5) Uani 1 1 d . . . . .
H3 H -0.0211 -0.0393 0.3381 0.027 Uiso 1 1 d R U . . .
B4 B -0.00060(11) 0.10163(19) 0.26091(9) 0.0233(5) Uani 1 1 d . . . . .
H4 H 0.0400 0.0607 0.2388 0.028 Uiso 1 1 d R U . . .
B5 B -0.00427(10) 0.24607(19) 0.26799(9) 0.0228(5) Uani 1 1 d . . . . .
H5 H 0.0339 0.3004 0.2508 0.027 Uiso 1 1 d R U . . .
B6 B -0.12213(10) 0.22657(19) 0.33055(10) 0.0243(5) Uani 1 1 d . . . . .
H6 H -0.1615 0.2685 0.3539 0.029 Uiso 1 1 d R U . . .
B7 B -0.11886(11) 0.08156(19) 0.32267(11) 0.0262(5) Uani 1 1 d . . . . .
H7 H -0.1566 0.0271 0.3405 0.031 Uiso 1 1 d R U . . .
B8 B -0.08047(11) 0.0533(2) 0.25641(11) 0.0266(5) Uani 1 1 d . . . . .
H8 H -0.0933 -0.0197 0.2303 0.032 Uiso 1 1 d R U . . .
B9 B -0.05945(11) 0.1798(2) 0.22402(10) 0.0271(5) Uani 1 1 d . . . . .
H9 H -0.0582 0.1898 0.1768 0.032 Uiso 1 1 d R U . . .
B10 B -0.08558(11) 0.2865(2) 0.27004(10) 0.0249(5) Uani 1 1 d . . . . .
H10 H -0.1011 0.3681 0.2538 0.030 Uiso 1 1 d R U . . .
B11 B -0.13265(11) 0.1677(2) 0.26234(10) 0.0272(5) Uani 1 1 d . . . . .
H11 H -0.1797 0.1699 0.2403 0.033 Uiso 1 1 d R U . . .
B12 B 0.12269(10) -0.01177(17) 0.36509(9) 0.0206(4) Uani 1 1 d . . . . .
H12 H 0.0904 -0.0478 0.3323 0.025 Uiso 1 1 d R U . . .
B13 B 0.09636(11) 0.01567(19) 0.43540(9) 0.0233(5) Uani 1 1 d . . . . .
H13 H 0.0466 -0.0026 0.4492 0.028 Uiso 1 1 d R U . . .
B14 B 0.13798(11) 0.13230(19) 0.46057(9) 0.0233(5) Uani 1 1 d . . . . .
H14 H 0.1155 0.1906 0.4912 0.028 Uiso 1 1 d R U . . .
B15 B 0.18942(10) 0.17773(18) 0.40572(9) 0.0219(5) Uani 1 1 d . . . . .
H15 H 0.2007 0.2661 0.3995 0.026 Uiso 1 1 d R U . . .
B16 B 0.20502(11) -0.04254(19) 0.36773(10) 0.0233(5) Uani 1 1 d . . . . .
H16 H 0.2275 -0.0999 0.3367 0.028 Uiso 1 1 d R U . . .
B17 B 0.15329(11) -0.08907(19) 0.42201(10) 0.0264(5) Uani 1 1 d . . . . .
H17 H 0.1414 -0.1775 0.4272 0.032 Uiso 1 1 d R U . . .
B18 B 0.16263(11) 0.0007(2) 0.48159(10) 0.0269(5) Uani 1 1 d . . . . .
H18 H 0.1569 -0.0287 0.5263 0.032 Uiso 1 1 d R U . . .
B19 B 0.22046(11) 0.10148(19) 0.46284(10) 0.0241(5) Uani 1 1 d . . . . .
H19 H 0.2530 0.1389 0.4950 0.029 Uiso 1 1 d R U . . .
B20 B 0.24630(11) 0.07431(19) 0.39241(9) 0.0238(5) Uani 1 1 d . . . . .
H20 H 0.2955 0.0938 0.3775 0.029 Uiso 1 1 d R U . . .
B21 B 0.22954(11) -0.03534(19) 0.43968(10) 0.0253(5) Uani 1 1 d . . . . .
H21 H 0.2681 -0.0887 0.4570 0.030 Uiso 1 1 d 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
C1 B1 1.596(3) . ?
C1 C2 1.666(2) . ?
C1 B4 1.719(3) . ?
C1 B3 1.722(3) . ?
C1 B2 1.727(3) . ?
C1 B5 1.746(3) . ?
C2 C3 1.488(3) . ?
C2 B10 1.688(3) . ?
C2 B6 1.698(3) . ?
C2 B5 1.730(3) . ?
C2 B2 1.732(3) . ?
C5 B1 1.588(3) . ?
C5 C14 1.679(2) . ?
C5 B14 1.721(3) . ?
C5 B13 1.723(3) . ?
C5 B15 1.726(3) . ?
C5 B12 1.738(3) . ?
C14 C15 1.508(3) . ?
C14 B16 1.716(3) . ?
C14 B20 1.721(3) . ?
C14 B15 1.727(3) . ?
C14 B12 1.731(3) . ?
C3 C6 1.361(3) . ?
C3 C4 1.435(3) . ?
C6 C7 1.421(3) . ?
C6 H6A 0.9500 . ?
C7 C10 1.418(3) . ?
C7 C8 1.422(3) . ?
C8 C9 1.411(3) . ?
C8 C13 1.422(3) . ?
C9 C4 1.382(3) . ?
C9 H9A 0.9500 . ?
C4 B1 1.546(3) . ?
C10 C11 1.369(3) . ?
C10 H11A 0.9500 . ?
C11 C12 1.404(3) . ?
C11 H12A 0.9500 . ?
C12 C13 1.368(3) . ?
C12 H13A 0.9500 . ?
C13 H14A 0.9500 . ?
C15 C16 1.362(3) . ?
C15 C20 1.419(3) . ?
C16 C17 1.428(3) . ?
C16 H16A 0.9500 . ?
C17 C21 1.405(3) . ?
C17 C18 1.414(3) . ?
C18 C19 1.405(3) . ?
C18 C24 1.438(3) . ?
C19 C20 1.374(3) . ?
C19 H19A 0.9500 . ?
C20 H20A 0.9500 . ?
C21 C22 1.362(3) . ?
C21 H21A 0.9500 . ?
C22 C23 1.422(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.356(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
B2 B7 1.760(3) . ?
B2 B3 1.780(3) . ?
B2 B6 1.785(3) . ?
B2 H2 1.1199 . ?
B3 B8 1.782(3) . ?
B3 B4 1.782(3) . ?
B3 B7 1.783(3) . ?
B3 H3 1.1200 . ?
B4 B5 1.782(3) . ?
B4 B8 1.786(3) . ?
B4 B9 1.792(3) . ?
B4 H4 1.1202 . ?
B5 B9 1.757(3) . ?
B5 B10 1.783(3) . ?
B5 H5 1.1202 . ?
B6 B11 1.777(3) . ?
B6 B10 1.780(3) . ?
B6 B7 1.791(3) . ?
B6 H6 1.1203 . ?
B7 B8 1.792(3) . ?
B7 B11 1.795(3) . ?
B7 H7 1.1202 . ?
B8 B9 1.785(3) . ?
B8 B11 1.788(3) . ?
B8 H8 1.1199 . ?
B9 B10 1.788(3) . ?
B9 B11 1.793(3) . ?
B9 H9 1.1199 . ?
B10 B11 1.773(3) . ?
B10 H10 1.1199 . ?
B11 H11 1.1198 . ?
B12 B17 1.765(3) . ?
B12 B16 1.775(3) . ?
B12 B13 1.780(3) . ?
B12 H12 1.1198 . ?
B13 B18 1.780(3) . ?
B13 B14 1.780(3) . ?
B13 B17 1.786(3) . ?
B13 H13 1.1200 . ?
B14 B18 1.768(3) . ?
B14 B15 1.777(3) . ?
B14 B19 1.778(3) . ?
B14 H14 1.1203 . ?
B15 B19 1.765(3) . ?
B15 B20 1.773(3) . ?
B15 H15 1.1199 . ?
B16 B17 1.775(3) . ?
B16 B20 1.775(3) . ?
B16 B21 1.775(3) . ?
B16 H16 1.1202 . ?
B17 B21 1.785(3) . ?
B17 B18 1.796(3) . ?
B17 H17 1.1201 . ?
B18 B21 1.777(3) . ?
B18 B19 1.791(3) . ?
B18 H18 1.1202 . ?
B19 B21 1.776(3) . ?
B19 B20 1.779(3) . ?
B19 H19 1.1198 . ?
B20 B21 1.783(3) . ?
B20 H20 1.1201 . ?
B21 H21 1.1197 . ?

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
B1 C1 C2 102.44(14) . . ?
B1 C1 B4 135.53(16) . . ?
C2 C1 B4 109.96(14) . . ?
B1 C1 B3 131.87(16) . . ?
C2 C1 B3 110.19(14) . . ?
B4 C1 B3 62.38(12) . . ?
B1 C1 B2 108.33(15) . . ?
C2 C1 B2 61.33(11) . . ?
B4 C1 B2 113.62(15) . . ?
B3 C1 B2 62.13(12) . . ?
B1 C1 B5 113.29(15) . . ?
C2 C1 B5 60.88(11) . . ?
B4 C1 B5 61.91(12) . . ?
B3 C1 B5 113.24(15) . . ?
B2 C1 B5 113.62(14) . . ?
C3 C2 C1 107.22(14) . . ?
C3 C2 B10 127.23(16) . . ?
C1 C2 B10 112.44(15) . . ?
C3 C2 B6 128.78(16) . . ?
C1 C2 B6 112.01(15) . . ?
B10 C2 B6 63.44(13) . . ?
C3 C2 B5 111.60(15) . . ?
C1 C2 B5 61.82(12) . . ?
B10 C2 B5 62.89(13) . . ?
B6 C2 B5 115.35(15) . . ?
C3 C2 B2 114.06(16) . . ?
C1 C2 B2 61.06(11) . . ?
B10 C2 B2 115.03(15) . . ?
B6 C2 B2 62.69(12) . . ?
B5 C2 B2 114.19(15) . . ?
B1 C5 C14 122.95(15) . . ?
B1 C5 B14 117.85(15) . . ?
C14 C5 B14 110.32(14) . . ?
B1 C5 B13 117.88(15) . . ?
C14 C5 B13 110.36(14) . . ?
B14 C5 B13 62.26(13) . . ?
B1 C5 B15 119.02(15) . . ?
C14 C5 B15 60.93(11) . . ?
B14 C5 B15 62.05(12) . . ?
B13 C5 B15 113.15(15) . . ?
B1 C5 B12 119.52(15) . . ?
C14 C5 B12 60.83(11) . . ?
B14 C5 B12 112.78(15) . . ?
B13 C5 B12 61.90(12) . . ?
B15 C5 B12 112.56(14) . . ?
C15 C14 C5 117.15(15) . . ?
C15 C14 B16 122.34(16) . . ?
C5 C14 B16 110.49(14) . . ?
C15 C14 B20 122.40(15) . . ?
C5 C14 B20 110.51(14) . . ?
B16 C14 B20 62.19(13) . . ?
C15 C14 B15 117.72(16) . . ?
C5 C14 B15 60.88(11) . . ?
B16 C14 B15 112.73(15) . . ?
B20 C14 B15 61.91(12) . . ?
C15 C14 B12 116.92(15) . . ?
C5 C14 B12 61.27(11) . . ?
B16 C14 B12 62.00(12) . . ?
B20 C14 B12 113.25(15) . . ?
B15 C14 B12 112.88(14) . . ?
C6 C3 C4 122.90(18) . . ?
C6 C3 C2 125.23(18) . . ?
C4 C3 C2 111.87(16) . . ?
C3 C6 C7 119.44(18) . . ?
C3 C6 H6A 120.3 . . ?
C7 C6 H6A 120.3 . . ?
C10 C7 C6 122.16(19) . . ?
C10 C7 C8 118.70(19) . . ?
C6 C7 C8 119.14(18) . . ?
C9 C8 C13 121.23(19) . . ?
C9 C8 C7 119.51(18) . . ?
C13 C8 C7 119.26(18) . . ?
C4 C9 C8 121.70(19) . . ?
C4 C9 H9A 119.1 . . ?
C8 C9 H9A 119.1 . . ?
C9 C4 C3 117.30(17) . . ?
C9 C4 B1 131.74(18) . . ?
C3 C4 B1 110.96(17) . . ?
C11 C10 C7 120.4(2) . . ?
C11 C10 H11A 119.8 . . ?
C7 C10 H11A 119.8 . . ?
C10 C11 C12 121.0(2) . . ?
C10 C11 H12A 119.5 . . ?
C12 C11 H12A 119.5 . . ?
C13 C12 C11 120.3(2) . . ?
C13 C12 H13A 119.9 . . ?
C11 C12 H13A 119.9 . . ?
C12 C13 C8 120.4(2) . . ?
C12 C13 H14A 119.8 . . ?
C8 C13 H14A 119.8 . . ?
C16 C15 C20 119.33(19) . . ?
C16 C15 C14 119.25(18) . . ?
C20 C15 C14 121.42(18) . . ?
C15 C16 C17 121.64(19) . . ?
C15 C16 H16A 119.2 . . ?
C17 C16 H16A 119.2 . . ?
C21 C17 C18 120.7(2) . . ?
C21 C17 C16 121.14(19) . . ?
C18 C17 C16 118.20(18) . . ?
C19 C18 C17 119.61(19) . . ?
C19 C18 C24 122.4(2) . . ?
C17 C18 C24 118.0(2) . . ?
C20 C19 C18 120.73(19) . . ?
C20 C19 H19A 119.6 . . ?
C18 C19 H19A 119.6 . . ?
C19 C20 C15 120.48(19) . . ?
C19 C20 H20A 119.8 . . ?
C15 C20 H20A 119.8 . . ?
C22 C21 C17 120.0(2) . . ?
C22 C21 H21A 120.0 . . ?
C17 C21 H21A 120.0 . . ?
C21 C22 C23 120.3(2) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 120.9(2) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C18 120.2(2) . . ?
C23 C24 H24 119.9 . . ?
C18 C24 H24 119.9 . . ?
C4 B1 C5 126.23(17) . . ?
C4 B1 C1 107.32(16) . . ?
C5 B1 C1 125.90(17) . . ?
C1 B2 C2 57.61(11) . . ?
C1 B2 B7 105.66(16) . . ?
C2 B2 B7 104.44(16) . . ?
C1 B2 B3 58.79(11) . . ?
C2 B2 B3 104.62(15) . . ?
B7 B2 B3 60.49(13) . . ?
C1 B2 B6 105.18(15) . . ?
C2 B2 B6 57.74(12) . . ?
B7 B2 B6 60.69(13) . . ?
B3 B2 B6 108.77(16) . . ?
C1 B2 H2 124.0 . . ?
C2 B2 H2 125.2 . . ?
B7 B2 H2 122.4 . . ?
B3 B2 H2 121.8 . . ?
B6 B2 H2 121.8 . . ?
C1 B3 B2 59.08(11) . . ?
C1 B3 B8 104.83(16) . . ?
B2 B3 B8 107.46(16) . . ?
C1 B3 B4 58.73(12) . . ?
B2 B3 B4 108.13(15) . . ?
B8 B3 B4 60.17(13) . . ?
C1 B3 B7 104.89(15) . . ?
B2 B3 B7 59.20(12) . . ?
B8 B3 B7 60.37(13) . . ?
B4 B3 B7 108.60(16) . . ?
C1 B3 H3 124.5 . . ?
B2 B3 H3 121.9 . . ?
B8 B3 H3 122.4 . . ?
B4 B3 H3 121.1 . . ?
B7 B3 H3 122.3 . . ?
C1 B4 B3 58.89(12) . . ?
C1 B4 B5 59.78(12) . . ?
B3 B4 B5 108.66(16) . . ?
C1 B4 B8 104.74(15) . . ?
B3 B4 B8 59.90(13) . . ?
B5 B4 B8 107.14(16) . . ?
C1 B4 B9 104.83(15) . . ?
B3 B4 B9 107.94(16) . . ?
B5 B4 B9 58.89(13) . . ?
B8 B4 B9 59.85(13) . . ?
C1 B4 H4 124.2 . . ?
B3 B4 H4 121.2 . . ?
B5 B4 H4 121.5 . . ?
B8 B4 H4 122.8 . . ?
B9 B4 H4 122.8 . . ?
C2 B5 C1 57.30(11) . . ?
C2 B5 B9 104.20(15) . . ?
C1 B5 B9 105.21(15) . . ?
C2 B5 B4 104.25(15) . . ?
C1 B5 B4 58.31(12) . . ?
B9 B5 B4 60.84(13) . . ?
C2 B5 B10 57.40(12) . . ?
C1 B5 B10 104.37(15) . . ?
B9 B5 B10 60.66(13) . . ?
B4 B5 B10 108.73(16) . . ?
C2 B5 H5 125.4 . . ?
C1 B5 H5 124.5 . . ?
B9 B5 H5 122.5 . . ?
B4 B5 H5 121.8 . . ?
B10 B5 H5 122.2 . . ?
C2 B6 B11 103.93(16) . . ?
C2 B6 B10 58.00(12) . . ?
B11 B6 B10 59.80(13) . . ?
C2 B6 B2 59.57(12) . . ?
B11 B6 B2 107.42(16) . . ?
B10 B6 B2 108.03(15) . . ?
C2 B6 B7 104.52(15) . . ?
B11 B6 B7 60.43(13) . . ?
B10 B6 B7 108.12(17) . . ?
B2 B6 B7 58.98(12) . . ?
C2 B6 H6 125.0 . . ?
B11 B6 H6 122.7 . . ?
B10 B6 H6 121.6 . . ?
B2 B6 H6 121.6 . . ?
B7 B6 H6 122.4 . . ?
B2 B7 B3 60.31(12) . . ?
B2 B7 B6 60.33(13) . . ?
B3 B7 B6 108.35(15) . . ?
B2 B7 B8 107.86(16) . . ?
B3 B7 B8 59.78(13) . . ?
B6 B7 B8 107.45(17) . . ?
B2 B7 B11 107.68(16) . . ?
B3 B7 B11 107.68(16) . . ?
B6 B7 B11 59.40(13) . . ?
B8 B7 B11 59.77(14) . . ?
B2 B7 H7 121.5 . . ?
B3 B7 H7 121.6 . . ?
B6 B7 H7 121.8 . . ?
B8 B7 H7 122.1 . . ?
B11 B7 H7 122.2 . . ?
B3 B8 B9 108.27(16) . . ?
B3 B8 B4 59.93(12) . . ?
B9 B8 B4 60.23(13) . . ?
B3 B8 B11 108.08(16) . . ?
B9 B8 B11 60.24(13) . . ?
B4 B8 B11 108.28(16) . . ?
B3 B8 B7 59.85(13) . . ?
B9 B8 B7 108.46(17) . . ?
B4 B8 B7 107.99(16) . . ?
B11 B8 B7 60.20(13) . . ?
B3 B8 H8 121.8 . . ?
B9 B8 H8 121.4 . . ?
B4 B8 H8 121.7 . . ?
B11 B8 H8 121.5 . . ?
B7 B8 H8 121.6 . . ?
B5 B9 B8 108.31(16) . . ?
B5 B9 B10 60.40(13) . . ?
B8 B9 B10 107.53(17) . . ?
B5 B9 B4 60.28(13) . . ?
B8 B9 B4 59.92(13) . . ?
B10 B9 B4 108.09(16) . . ?
B5 B9 B11 108.04(16) . . ?
B8 B9 B11 59.95(13) . . ?
B10 B9 B11 59.37(13) . . ?
B4 B9 B11 107.80(17) . . ?
B5 B9 H9 121.3 . . ?
B8 B9 H9 121.7 . . ?
B10 B9 H9 122.0 . . ?
B4 B9 H9 121.6 . . ?
B11 B9 H9 122.0 . . ?
C2 B10 B11 104.53(16) . . ?
C2 B10 B6 58.57(12) . . ?
B11 B10 B6 60.01(13) . . ?
C2 B10 B5 59.71(12) . . ?
B11 B10 B5 107.75(16) . . ?
B6 B10 B5 108.77(15) . . ?
C2 B10 B9 104.65(16) . . ?
B11 B10 B9 60.45(13) . . ?
B6 B10 B9 108.43(16) . . ?
B5 B10 B9 58.94(13) . . ?
C2 B10 H10 124.6 . . ?
B11 B10 H10 122.5 . . ?
B6 B10 H10 121.1 . . ?
B5 B10 H10 121.3 . . ?
B9 B10 H10 122.5 . . ?
B10 B11 B6 60.19(13) . . ?
B10 B11 B8 108.07(16) . . ?
B6 B11 B8 108.27(16) . . ?
B10 B11 B9 60.18(13) . . ?
B6 B11 B9 108.37(16) . . ?
B8 B11 B9 59.81(13) . . ?
B10 B11 B7 108.22(16) . . ?
B6 B11 B7 60.17(13) . . ?
B8 B11 B7 60.03(13) . . ?
B9 B11 B7 107.98(16) . . ?
B10 B11 H11 121.5 . . ?
B6 B11 H11 121.4 . . ?
B8 B11 H11 121.8 . . ?
B9 B11 H11 121.7 . . ?
B7 B11 H11 121.7 . . ?
C14 B12 C5 57.90(11) . . ?
C14 B12 B17 105.62(15) . . ?
C5 B12 B17 105.64(15) . . ?
C14 B12 B16 58.60(12) . . ?
C5 B12 B16 105.12(15) . . ?
B17 B12 B16 60.17(13) . . ?
C14 B12 B13 105.41(15) . . ?
C5 B12 B13 58.63(11) . . ?
B17 B12 B13 60.49(13) . . ?
B16 B12 B13 108.16(15) . . ?
C14 B12 H12 124.0 . . ?
C5 B12 H12 124.1 . . ?
B17 B12 H12 122.3 . . ?
B16 B12 H12 122.2 . . ?
B13 B12 H12 121.9 . . ?
C5 B13 B18 105.16(15) . . ?
C5 B13 B12 59.47(11) . . ?
B18 B13 B12 107.82(15) . . ?
C5 B13 B14 58.81(12) . . ?
B18 B13 B14 59.55(13) . . ?
B12 B13 B14 108.01(15) . . ?
C5 B13 B17 105.39(15) . . ?
B18 B13 B17 60.48(13) . . ?
B12 B13 B17 59.34(12) . . ?
B14 B13 B17 107.90(16) . . ?
C5 B13 H13 124.0 . . ?
B18 B13 H13 122.3 . . ?
B12 B13 H13 121.6 . . ?
B14 B13 H13 121.6 . . ?
B17 B13 H13 122.4 . . ?
C5 B14 B18 105.77(15) . . ?
C5 B14 B15 59.12(11) . . ?
B18 B14 B15 108.17(16) . . ?
C5 B14 B19 105.59(15) . . ?
B18 B14 B19 60.69(13) . . ?
B15 B14 B19 59.55(13) . . ?
C5 B14 B13 58.93(12) . . ?
B18 B14 B13 60.21(13) . . ?
B15 B14 B13 108.05(15) . . ?
B19 B14 B13 108.65(16) . . ?
C5 B14 H14 124.0 . . ?
B18 B14 H14 121.8 . . ?
B15 B14 H14 121.7 . . ?
B19 B14 H14 121.9 . . ?
B13 B14 H14 121.3 . . ?
C5 B15 C14 58.19(11) . . ?
C5 B15 B19 105.93(15) . . ?
C14 B15 B19 105.78(15) . . ?
C5 B15 B20 105.93(15) . . ?
C14 B15 B20 58.87(12) . . ?
B19 B15 B20 60.35(12) . . ?
C5 B15 B14 58.83(12) . . ?
C14 B15 B14 105.58(15) . . ?
B19 B15 B14 60.28(13) . . ?
B20 B15 B14 108.42(16) . . ?
C5 B15 H15 123.6 . . ?
C14 B15 H15 123.8 . . ?
B19 B15 H15 122.4 . . ?
B20 B15 H15 121.7 . . ?
B14 B15 H15 122.0 . . ?
C14 B16 B17 105.82(15) . . ?
C14 B16 B20 59.02(12) . . ?
B17 B16 B20 108.92(16) . . ?
C14 B16 B21 105.53(15) . . ?
B17 B16 B21 60.38(13) . . ?
B20 B16 B21 60.28(13) . . ?
C14 B16 B12 59.40(11) . . ?
B17 B16 B12 59.63(13) . . ?
B20 B16 B12 108.53(15) . . ?
B21 B16 B12 107.88(16) . . ?
C14 B16 H16 124.0 . . ?
B17 B16 H16 121.8 . . ?
B20 B16 H16 121.0 . . ?
B21 B16 H16 122.1 . . ?
B12 B16 H16 121.6 . . ?
B12 B17 B16 60.20(12) . . ?
B12 B17 B21 107.89(16) . . ?
B16 B17 B21 59.82(13) . . ?
B12 B17 B13 60.16(12) . . ?
B16 B17 B13 107.93(15) . . ?
B21 B17 B13 107.25(16) . . ?
B12 B17 B18 107.75(16) . . ?
B16 B17 B18 107.41(16) . . ?
B21 B17 B18 59.49(13) . . ?
B13 B17 B18 59.58(13) . . ?
B12 B17 H17 121.5 . . ?
B16 B17 H17 121.8 . . ?
B21 B17 H17 122.2 . . ?
B13 B17 H17 121.9 . . ?
B18 B17 H17 122.2 . . ?
B14 B18 B21 107.72(16) . . ?
B14 B18 B13 60.24(13) . . ?
B21 B18 B13 107.90(16) . . ?
B14 B18 B19 59.95(13) . . ?
B21 B18 B19 59.71(13) . . ?
B13 B18 B19 108.09(16) . . ?
B14 B18 B17 108.01(16) . . ?
B21 B18 B17 59.96(13) . . ?
B13 B18 B17 59.93(13) . . ?
B19 B18 B17 107.77(16) . . ?
B14 B18 H18 121.7 . . ?
B21 B18 H18 121.9 . . ?
B13 B18 H18 121.6 . . ?
B19 B18 H18 121.9 . . ?
B17 B18 H18 121.8 . . ?
B15 B19 B21 107.86(16) . . ?
B15 B19 B14 60.18(12) . . ?
B21 B19 B14 107.28(16) . . ?
B15 B19 B20 60.05(13) . . ?
B21 B19 B20 60.19(13) . . ?
B14 B19 B20 108.10(15) . . ?
B15 B19 B18 107.62(15) . . ?
B21 B19 B18 59.73(13) . . ?
B14 B19 B18 59.37(13) . . ?
B20 B19 B18 107.98(16) . . ?
B15 B19 H19 121.7 . . ?
B21 B19 H19 122.0 . . ?
B14 B19 H19 122.0 . . ?
B20 B19 H19 121.4 . . ?
B18 B19 H19 122.2 . . ?
C14 B20 B15 59.22(12) . . ?
C14 B20 B16 58.78(12) . . ?
B15 B20 B16 107.79(15) . . ?
C14 B20 B19 105.47(15) . . ?
B15 B20 B19 59.60(12) . . ?
B16 B20 B19 107.91(16) . . ?
C14 B20 B21 105.02(16) . . ?
B15 B20 B21 107.22(16) . . ?
B16 B20 B21 59.86(13) . . ?
B19 B20 B21 59.83(13) . . ?
C14 B20 H20 124.0 . . ?
B15 B20 H20 121.9 . . ?
B16 B20 H20 121.5 . . ?
B19 B20 H20 122.3 . . ?
B21 B20 H20 122.7 . . ?
B16 B21 B19 108.02(16) . . ?
B16 B21 B18 108.24(16) . . ?
B19 B21 B18 60.56(13) . . ?
B16 B21 B20 59.86(13) . . ?
B19 B21 B20 59.98(13) . . ?
B18 B21 B20 108.47(16) . . ?
B16 B21 B17 59.80(13) . . ?
B19 B21 B17 108.91(16) . . ?
B18 B21 B17 60.55(14) . . ?
B20 B21 B17 108.13(16) . . ?
B16 B21 H21 122.0 . . ?
B19 B21 H21 121.3 . . ?
B18 B21 H21 121.2 . . ?
B20 B21 H21 121.7 . . ?
B17 B21 H21 121.4 . . ?

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
B1 C1 C2 C3 4.18(18) . . . . ?
B4 C1 C2 C3 -144.86(15) . . . . ?
B3 C1 C2 C3 148.22(15) . . . . ?
B2 C1 C2 C3 108.44(17) . . . . ?
B5 C1 C2 C3 -105.73(16) . . . . ?
B1 C1 C2 B10 148.60(15) . . . . ?
B4 C1 C2 B10 -0.4(2) . . . . ?
B3 C1 C2 B10 -67.36(19) . . . . ?
B2 C1 C2 B10 -107.14(17) . . . . ?
B5 C1 C2 B10 38.69(15) . . . . ?
B1 C1 C2 B6 -142.19(16) . . . . ?
B4 C1 C2 B6 68.77(19) . . . . ?
B3 C1 C2 B6 1.9(2) . . . . ?
B2 C1 C2 B6 -37.92(15) . . . . ?
B5 C1 C2 B6 107.90(17) . . . . ?
B1 C1 C2 B5 109.91(15) . . . . ?
B4 C1 C2 B5 -39.13(14) . . . . ?
B3 C1 C2 B5 -106.05(16) . . . . ?
B2 C1 C2 B5 -145.83(15) . . . . ?
B1 C1 C2 B2 -104.26(15) . . . . ?
B4 C1 C2 B2 106.69(16) . . . . ?
B3 C1 C2 B2 39.77(15) . . . . ?
B5 C1 C2 B2 145.83(15) . . . . ?
B1 C5 C14 C15 -0.7(2) . . . . ?
B14 C5 C14 C15 -147.17(16) . . . . ?
B13 C5 C14 C15 145.91(16) . . . . ?
B15 C5 C14 C15 -108.22(18) . . . . ?
B12 C5 C14 C15 107.40(18) . . . . ?
B1 C5 C14 B16 -147.17(17) . . . . ?
B14 C5 C14 B16 66.36(18) . . . . ?
B13 C5 C14 B16 -0.56(19) . . . . ?
B15 C5 C14 B16 105.31(16) . . . . ?
B12 C5 C14 B16 -39.07(14) . . . . ?
B1 C5 C14 B20 145.90(17) . . . . ?
B14 C5 C14 B20 -0.6(2) . . . . ?
B13 C5 C14 B20 -67.49(19) . . . . ?
B15 C5 C14 B20 38.38(15) . . . . ?
B12 C5 C14 B20 -106.00(17) . . . . ?
B1 C5 C14 B15 107.52(19) . . . . ?
B14 C5 C14 B15 -38.95(15) . . . . ?
B13 C5 C14 B15 -105.87(16) . . . . ?
B12 C5 C14 B15 -144.38(15) . . . . ?
B1 C5 C14 B12 -108.10(19) . . . . ?
B14 C5 C14 B12 105.43(16) . . . . ?
B13 C5 C14 B12 38.51(14) . . . . ?
B15 C5 C14 B12 144.38(15) . . . . ?
C1 C2 C3 C6 176.28(18) . . . . ?
B10 C2 C3 C6 38.8(3) . . . . ?
B6 C2 C3 C6 -44.9(3) . . . . ?
B5 C2 C3 C6 110.4(2) . . . . ?
B2 C2 C3 C6 -118.3(2) . . . . ?
C1 C2 C3 C4 -2.8(2) . . . . ?
B10 C2 C3 C4 -140.29(19) . . . . ?
B6 C2 C3 C4 136.02(19) . . . . ?
B5 C2 C3 C4 -68.6(2) . . . . ?
B2 C2 C3 C4 62.6(2) . . . . ?
C4 C3 C6 C7 -0.5(3) . . . . ?
C2 C3 C6 C7 -179.41(18) . . . . ?
C3 C6 C7 C10 179.47(19) . . . . ?
C3 C6 C7 C8 -0.5(3) . . . . ?
C10 C7 C8 C9 -179.24(18) . . . . ?
C6 C7 C8 C9 0.8(3) . . . . ?
C10 C7 C8 C13 1.5(3) . . . . ?
C6 C7 C8 C13 -178.54(18) . . . . ?
C13 C8 C9 C4 179.29(19) . . . . ?
C7 C8 C9 C4 0.0(3) . . . . ?
C8 C9 C4 C3 -0.9(3) . . . . ?
C8 C9 C4 B1 179.31(19) . . . . ?
C6 C3 C4 C9 1.2(3) . . . . ?
C2 C3 C4 C9 -179.74(17) . . . . ?
C6 C3 C4 B1 -179.01(18) . . . . ?
C2 C3 C4 B1 0.1(2) . . . . ?
C6 C7 C10 C11 179.0(2) . . . . ?
C8 C7 C10 C11 -1.0(3) . . . . ?
C7 C10 C11 C12 -0.1(3) . . . . ?
C10 C11 C12 C13 0.8(3) . . . . ?
C11 C12 C13 C8 -0.3(3) . . . . ?
C9 C8 C13 C12 179.90(19) . . . . ?
C7 C8 C13 C12 -0.8(3) . . . . ?
C5 C14 C15 C16 -128.75(18) . . . . ?
B16 C14 C15 C16 13.5(3) . . . . ?
B20 C14 C15 C16 88.9(2) . . . . ?
B15 C14 C15 C16 161.64(17) . . . . ?
B12 C14 C15 C16 -59.0(2) . . . . ?
C5 C14 C15 C20 51.2(2) . . . . ?
B16 C14 C15 C20 -166.56(18) . . . . ?
B20 C14 C15 C20 -91.2(2) . . . . ?
B15 C14 C15 C20 -18.4(3) . . . . ?
B12 C14 C15 C20 121.00(19) . . . . ?
C20 C15 C16 C17 1.0(3) . . . . ?
C14 C15 C16 C17 -179.07(17) . . . . ?
C15 C16 C17 C21 179.29(18) . . . . ?
C15 C16 C17 C18 -0.8(3) . . . . ?
C21 C17 C18 C19 -179.79(19) . . . . ?
C16 C17 C18 C19 0.3(3) . . . . ?
C21 C17 C18 C24 -0.6(3) . . . . ?
C16 C17 C18 C24 179.45(18) . . . . ?
C17 C18 C19 C20 0.0(3) . . . . ?
C24 C18 C19 C20 -179.1(2) . . . . ?
C18 C19 C20 C15 0.2(3) . . . . ?
C16 C15 C20 C19 -0.7(3) . . . . ?
C14 C15 C20 C19 179.36(18) . . . . ?
C18 C17 C21 C22 0.7(3) . . . . ?
C16 C17 C21 C22 -179.32(19) . . . . ?
C17 C21 C22 C23 -0.2(3) . . . . ?
C21 C22 C23 C24 -0.5(3) . . . . ?
C22 C23 C24 C18 0.6(3) . . . . ?
C19 C18 C24 C23 179.1(2) . . . . ?
C17 C18 C24 C23 -0.1(3) . . . . ?
C9 C4 B1 C5 10.7(3) . . . . ?
C3 C4 B1 C5 -169.07(17) . . . . ?
C9 C4 B1 C1 -177.4(2) . . . . ?
C3 C4 B1 C1 2.8(2) . . . . ?
C14 C5 B1 C4 -111.3(2) . . . . ?
B14 C5 B1 C4 32.9(3) . . . . ?
B13 C5 B1 C4 104.5(2) . . . . ?
B15 C5 B1 C4 -38.9(3) . . . . ?
B12 C5 B1 C4 176.23(17) . . . . ?
C14 C5 B1 C1 78.3(2) . . . . ?
B14 C5 B1 C1 -137.51(18) . . . . ?
B13 C5 B1 C1 -65.9(2) . . . . ?
B15 C5 B1 C1 150.74(18) . . . . ?
B12 C5 B1 C1 5.8(3) . . . . ?
C2 C1 B1 C4 -4.09(18) . . . . ?
B4 C1 B1 C4 132.3(2) . . . . ?
B3 C1 B1 C4 -136.34(19) . . . . ?
B2 C1 B1 C4 -67.70(18) . . . . ?
B5 C1 B1 C4 59.33(19) . . . . ?
C2 C1 B1 C5 167.81(17) . . . . ?
B4 C1 B1 C5 -55.8(3) . . . . ?
B3 C1 B1 C5 35.6(3) . . . . ?
B2 C1 B1 C5 104.2(2) . . . . ?
B5 C1 B1 C5 -128.78(18) . . . . ?
B1 C1 B2 C2 94.45(16) . . . . ?
B4 C1 B2 C2 -100.69(16) . . . . ?
B3 C1 B2 C2 -137.22(15) . . . . ?
B5 C1 B2 C2 -32.38(15) . . . . ?
B1 C1 B2 B7 -168.15(15) . . . . ?
C2 C1 B2 B7 97.40(16) . . . . ?
B4 C1 B2 B7 -3.3(2) . . . . ?
B3 C1 B2 B7 -39.82(15) . . . . ?
B5 C1 B2 B7 65.02(19) . . . . ?
B1 C1 B2 B3 -128.33(17) . . . . ?
C2 C1 B2 B3 137.22(15) . . . . ?
B4 C1 B2 B3 36.53(15) . . . . ?
B5 C1 B2 B3 104.83(17) . . . . ?
B1 C1 B2 B6 128.64(16) . . . . ?
C2 C1 B2 B6 34.19(14) . . . . ?
B4 C1 B2 B6 -66.50(19) . . . . ?
B3 C1 B2 B6 -103.03(17) . . . . ?
B5 C1 B2 B6 1.8(2) . . . . ?
C3 C2 B2 C1 -97.11(16) . . . . ?
B10 C2 B2 C1 102.90(17) . . . . ?
B6 C2 B2 C1 140.11(16) . . . . ?
B5 C2 B2 C1 32.88(14) . . . . ?
C3 C2 B2 B7 163.29(16) . . . . ?
C1 C2 B2 B7 -99.60(16) . . . . ?
B10 C2 B2 B7 3.3(2) . . . . ?
B6 C2 B2 B7 40.51(15) . . . . ?
B5 C2 B2 B7 -66.73(19) . . . . ?
C3 C2 B2 B3 -134.00(16) . . . . ?
C1 C2 B2 B3 -36.90(13) . . . . ?
B10 C2 B2 B3 66.01(19) . . . . ?
B6 C2 B2 B3 103.21(16) . . . . ?
B5 C2 B2 B3 -4.0(2) . . . . ?
C3 C2 B2 B6 122.78(18) . . . . ?
C1 C2 B2 B6 -140.11(16) . . . . ?
B10 C2 B2 B6 -37.21(16) . . . . ?
B5 C2 B2 B6 -107.24(17) . . . . ?
B1 C1 B3 B2 90.2(2) . . . . ?
C2 C1 B3 B2 -39.42(14) . . . . ?
B4 C1 B3 B2 -142.01(16) . . . . ?
B5 C1 B3 B2 -105.44(16) . . . . ?
B1 C1 B3 B8 -168.06(19) . . . . ?
C2 C1 B3 B8 62.31(18) . . . . ?
B4 C1 B3 B8 -40.29(14) . . . . ?
B2 C1 B3 B8 101.72(16) . . . . ?
B5 C1 B3 B8 -3.7(2) . . . . ?
B1 C1 B3 B4 -127.8(2) . . . . ?
C2 C1 B3 B4 102.59(16) . . . . ?
B2 C1 B3 B4 142.01(16) . . . . ?
B5 C1 B3 B4 36.57(15) . . . . ?
B1 C1 B3 B7 129.2(2) . . . . ?
C2 C1 B3 B7 -0.4(2) . . . . ?
B4 C1 B3 B7 -102.98(17) . . . . ?
B2 C1 B3 B7 39.03(15) . . . . ?
B5 C1 B3 B7 -66.41(19) . . . . ?
C2 B2 B3 C1 36.35(13) . . . . ?
B7 B2 B3 C1 134.89(16) . . . . ?
B6 B2 B3 C1 96.75(16) . . . . ?
C1 B2 B3 B8 -97.15(16) . . . . ?
C2 B2 B3 B8 -60.80(18) . . . . ?
B7 B2 B3 B8 37.74(15) . . . . ?
B6 B2 B3 B8 -0.4(2) . . . . ?
C1 B2 B3 B4 -33.61(14) . . . . ?
C2 B2 B3 B4 2.74(19) . . . . ?
B7 B2 B3 B4 101.27(17) . . . . ?
B6 B2 B3 B4 63.13(19) . . . . ?
C1 B2 B3 B7 -134.89(16) . . . . ?
C2 B2 B3 B7 -98.54(16) . . . . ?
B6 B2 B3 B7 -38.14(15) . . . . ?
B1 C1 B4 B3 122.8(2) . . . . ?
C2 C1 B4 B3 -102.96(16) . . . . ?
B2 C1 B4 B3 -36.43(15) . . . . ?
B5 C1 B4 B3 -141.64(16) . . . . ?
B1 C1 B4 B5 -95.5(2) . . . . ?
C2 C1 B4 B5 38.68(14) . . . . ?
B3 C1 B4 B5 141.64(16) . . . . ?
B2 C1 B4 B5 105.21(16) . . . . ?
B1 C1 B4 B8 163.0(2) . . . . ?
C2 C1 B4 B8 -62.83(18) . . . . ?
B3 C1 B4 B8 40.14(14) . . . . ?
B2 C1 B4 B8 3.7(2) . . . . ?
B5 C1 B4 B8 -101.50(16) . . . . ?
B1 C1 B4 B9 -134.9(2) . . . . ?
C2 C1 B4 B9 -0.71(19) . . . . ?
B3 C1 B4 B9 102.26(16) . . . . ?
B2 C1 B4 B9 65.82(19) . . . . ?
B5 C1 B4 B9 -39.38(14) . . . . ?
B2 B3 B4 C1 33.75(14) . . . . ?
B8 B3 B4 C1 133.90(16) . . . . ?
B7 B3 B4 C1 96.48(16) . . . . ?
C1 B3 B4 B5 -34.47(14) . . . . ?
B2 B3 B4 B5 -0.7(2) . . . . ?
B8 B3 B4 B5 99.43(17) . . . . ?
B7 B3 B4 B5 62.01(19) . . . . ?
C1 B3 B4 B8 -133.90(16) . . . . ?
B2 B3 B4 B8 -100.15(17) . . . . ?
B7 B3 B4 B8 -37.42(15) . . . . ?
C1 B3 B4 B9 -96.83(16) . . . . ?
B2 B3 B4 B9 -63.08(19) . . . . ?
B8 B3 B4 B9 37.07(15) . . . . ?
B7 B3 B4 B9 -0.4(2) . . . . ?
C3 C2 B5 C1 98.58(16) . . . . ?
B10 C2 B5 C1 -139.53(16) . . . . ?
B6 C2 B5 C1 -102.51(17) . . . . ?
B2 C2 B5 C1 -32.61(14) . . . . ?
C3 C2 B5 B9 -162.26(16) . . . . ?
C1 C2 B5 B9 99.16(16) . . . . ?
B10 C2 B5 B9 -40.37(15) . . . . ?
B6 C2 B5 B9 -3.4(2) . . . . ?
B2 C2 B5 B9 66.55(19) . . . . ?
C3 C2 B5 B4 134.76(16) . . . . ?
C1 C2 B5 B4 36.18(13) . . . . ?
B10 C2 B5 B4 -103.35(17) . . . . ?
B6 C2 B5 B4 -66.33(19) . . . . ?
B2 C2 B5 B4 3.6(2) . . . . ?
C3 C2 B5 B10 -121.89(18) . . . . ?
C1 C2 B5 B10 139.53(16) . . . . ?
B6 C2 B5 B10 37.02(16) . . . . ?
B2 C2 B5 B10 106.92(17) . . . . ?
B1 C1 B5 C2 -91.65(16) . . . . ?
B4 C1 B5 C2 137.75(15) . . . . ?
B3 C1 B5 C2 100.99(16) . . . . ?
B2 C1 B5 C2 32.54(14) . . . . ?
B1 C1 B5 B9 171.02(16) . . . . ?
C2 C1 B5 B9 -97.33(16) . . . . ?
B4 C1 B5 B9 40.42(15) . . . . ?
B3 C1 B5 B9 3.7(2) . . . . ?
B2 C1 B5 B9 -64.79(19) . . . . ?
B1 C1 B5 B4 130.61(17) . . . . ?
C2 C1 B5 B4 -137.75(15) . . . . ?
B3 C1 B5 B4 -36.76(15) . . . . ?
B2 C1 B5 B4 -105.20(17) . . . . ?
B1 C1 B5 B10 -126.01(17) . . . . ?
C2 C1 B5 B10 -34.36(14) . . . . ?
B4 C1 B5 B10 103.38(17) . . . . ?
B3 C1 B5 B10 66.63(19) . . . . ?
B2 C1 B5 B10 -1.8(2) . . . . ?
C1 B4 B5 C2 -35.72(13) . . . . ?
B3 B4 B5 C2 -1.61(19) . . . . ?
B8 B4 B5 C2 61.67(19) . . . . ?
B9 B4 B5 C2 98.52(16) . . . . ?
B3 B4 B5 C1 34.11(14) . . . . ?
B8 B4 B5 C1 97.38(16) . . . . ?
B9 B4 B5 C1 134.24(16) . . . . ?
C1 B4 B5 B9 -134.24(16) . . . . ?
B3 B4 B5 B9 -100.13(17) . . . . ?
B8 B4 B5 B9 -36.85(16) . . . . ?
C1 B4 B5 B10 -95.66(16) . . . . ?
B3 B4 B5 B10 -61.5(2) . . . . ?
B8 B4 B5 B10 1.7(2) . . . . ?
B9 B4 B5 B10 38.58(15) . . . . ?
C3 C2 B6 B11 157.76(19) . . . . ?
C1 C2 B6 B11 -64.98(19) . . . . ?
B10 C2 B6 B11 39.99(15) . . . . ?
B5 C2 B6 B11 3.2(2) . . . . ?
B2 C2 B6 B11 -102.24(16) . . . . ?
C3 C2 B6 B10 117.8(2) . . . . ?
C1 C2 B6 B10 -104.97(17) . . . . ?
B5 C2 B6 B10 -36.81(16) . . . . ?
B2 C2 B6 B10 -142.22(16) . . . . ?
C3 C2 B6 B2 -100.0(2) . . . . ?
C1 C2 B6 B2 37.25(15) . . . . ?
B10 C2 B6 B2 142.22(16) . . . . ?
B5 C2 B6 B2 105.41(17) . . . . ?
C3 C2 B6 B7 -139.69(19) . . . . ?
C1 C2 B6 B7 -2.4(2) . . . . ?
B10 C2 B6 B7 102.54(18) . . . . ?
B5 C2 B6 B7 65.7(2) . . . . ?
B2 C2 B6 B7 -39.69(15) . . . . ?
C1 B2 B6 C2 -34.13(13) . . . . ?
B7 B2 B6 C2 -133.83(17) . . . . ?
B3 B2 B6 C2 -95.78(16) . . . . ?
C1 B2 B6 B11 62.09(18) . . . . ?
C2 B2 B6 B11 96.22(17) . . . . ?
B7 B2 B6 B11 -37.61(15) . . . . ?
B3 B2 B6 B11 0.4(2) . . . . ?
C1 B2 B6 B10 -1.0(2) . . . . ?
C2 B2 B6 B10 33.11(14) . . . . ?
B7 B2 B6 B10 -100.72(18) . . . . ?
B3 B2 B6 B10 -62.67(19) . . . . ?
C1 B2 B6 B7 99.70(17) . . . . ?
C2 B2 B6 B7 133.83(17) . . . . ?
B3 B2 B6 B7 38.05(15) . . . . ?
C1 B2 B7 B3 39.00(14) . . . . ?
C2 B2 B7 B3 98.84(16) . . . . ?
B6 B2 B7 B3 137.89(17) . . . . ?
C1 B2 B7 B6 -98.89(16) . . . . ?
C2 B2 B7 B6 -39.04(14) . . . . ?
B3 B2 B7 B6 -137.89(17) . . . . ?
C1 B2 B7 B8 1.4(2) . . . . ?
C2 B2 B7 B8 61.27(19) . . . . ?
B3 B2 B7 B8 -37.57(15) . . . . ?
B6 B2 B7 B8 100.31(18) . . . . ?
C1 B2 B7 B11 -61.67(19) . . . . ?
C2 B2 B7 B11 -1.8(2) . . . . ?
B3 B2 B7 B11 -100.67(17) . . . . ?
B6 B2 B7 B11 37.22(15) . . . . ?
C1 B3 B7 B2 -38.97(14) . . . . ?
B8 B3 B7 B2 -137.80(17) . . . . ?
B4 B3 B7 B2 -100.47(17) . . . . ?
C1 B3 B7 B6 -1.1(2) . . . . ?
B2 B3 B7 B6 37.87(15) . . . . ?
B8 B3 B7 B6 -99.93(18) . . . . ?
B4 B3 B7 B6 -62.6(2) . . . . ?
C1 B3 B7 B8 98.83(17) . . . . ?
B2 B3 B7 B8 137.80(17) . . . . ?
B4 B3 B7 B8 37.33(15) . . . . ?
C1 B3 B7 B11 61.70(19) . . . . ?
B2 B3 B7 B11 100.67(17) . . . . ?
B8 B3 B7 B11 -37.13(15) . . . . ?
B4 B3 B7 B11 0.2(2) . . . . ?
C2 B6 B7 B2 39.98(15) . . . . ?
B11 B6 B7 B2 137.97(16) . . . . ?
B10 B6 B7 B2 100.56(17) . . . . ?
C2 B6 B7 B3 2.1(2) . . . . ?
B11 B6 B7 B3 100.11(18) . . . . ?
B10 B6 B7 B3 62.7(2) . . . . ?
B2 B6 B7 B3 -37.86(15) . . . . ?
C2 B6 B7 B8 -61.03(19) . . . . ?
B11 B6 B7 B8 36.96(15) . . . . ?
B10 B6 B7 B8 -0.5(2) . . . . ?
B2 B6 B7 B8 -101.01(17) . . . . ?
C2 B6 B7 B11 -97.99(17) . . . . ?
B10 B6 B7 B11 -37.42(15) . . . . ?
B2 B6 B7 B11 -137.97(16) . . . . ?
C1 B3 B8 B9 2.3(2) . . . . ?
B2 B3 B8 B9 64.0(2) . . . . ?
B4 B3 B8 B9 -37.32(15) . . . . ?
B7 B3 B8 B9 101.18(18) . . . . ?
C1 B3 B8 B4 39.58(14) . . . . ?
B2 B3 B8 B4 101.28(16) . . . . ?
B7 B3 B8 B4 138.50(16) . . . . ?
C1 B3 B8 B11 -61.50(19) . . . . ?
B2 B3 B8 B11 0.2(2) . . . . ?
B4 B3 B8 B11 -101.08(17) . . . . ?
B7 B3 B8 B11 37.42(15) . . . . ?
C1 B3 B8 B7 -98.92(16) . . . . ?
B2 B3 B8 B7 -37.22(15) . . . . ?
B4 B3 B8 B7 -138.50(16) . . . . ?
C1 B4 B8 B3 -39.64(14) . . . . ?
B5 B4 B8 B3 -102.02(17) . . . . ?
B9 B4 B8 B3 -138.45(17) . . . . ?
C1 B4 B8 B9 98.82(16) . . . . ?
B3 B4 B8 B9 138.45(17) . . . . ?
B5 B4 B8 B9 36.43(15) . . . . ?
C1 B4 B8 B11 61.11(19) . . . . ?
B3 B4 B8 B11 100.75(18) . . . . ?
B5 B4 B8 B11 -1.3(2) . . . . ?
B9 B4 B8 B11 -37.70(16) . . . . ?
C1 B4 B8 B7 -2.6(2) . . . . ?
B3 B4 B8 B7 37.04(15) . . . . ?
B5 B4 B8 B7 -65.0(2) . . . . ?
B9 B4 B8 B7 -101.41(18) . . . . ?
B2 B7 B8 B3 37.81(15) . . . . ?
B6 B7 B8 B3 101.46(17) . . . . ?
B11 B7 B8 B3 138.27(16) . . . . ?
B2 B7 B8 B9 -63.0(2) . . . . ?
B3 B7 B8 B9 -100.85(17) . . . . ?
B6 B7 B8 B9 0.6(2) . . . . ?
B11 B7 B8 B9 37.42(15) . . . . ?
B2 B7 B8 B4 0.7(2) . . . . ?
B3 B7 B8 B4 -37.07(15) . . . . ?
B6 B7 B8 B4 64.4(2) . . . . ?
B11 B7 B8 B4 101.19(17) . . . . ?
B2 B7 B8 B11 -100.45(17) . . . . ?
B3 B7 B8 B11 -138.27(16) . . . . ?
B6 B7 B8 B11 -36.80(15) . . . . ?
C2 B5 B9 B8 -61.43(19) . . . . ?
C1 B5 B9 B8 -2.0(2) . . . . ?
B4 B5 B9 B8 37.17(15) . . . . ?
B10 B5 B9 B8 -100.19(18) . . . . ?
C2 B5 B9 B10 38.75(14) . . . . ?
C1 B5 B9 B10 98.17(16) . . . . ?
B4 B5 B9 B10 137.36(17) . . . . ?
C2 B5 B9 B4 -98.60(16) . . . . ?
C1 B5 B9 B4 -39.18(14) . . . . ?
B10 B5 B9 B4 -137.36(17) . . . . ?
C2 B5 B9 B11 2.0(2) . . . . ?
C1 B5 B9 B11 61.44(19) . . . . ?
B4 B5 B9 B11 100.62(18) . . . . ?
B10 B5 B9 B11 -36.74(15) . . . . ?
B3 B8 B9 B5 -0.1(2) . . . . ?
B4 B8 B9 B5 -37.32(15) . . . . ?
B11 B8 B9 B5 100.69(18) . . . . ?
B7 B8 B9 B5 63.3(2) . . . . ?
B3 B8 B9 B10 -64.0(2) . . . . ?
B4 B8 B9 B10 -101.15(17) . . . . ?
B11 B8 B9 B10 36.86(15) . . . . ?
B7 B8 B9 B10 -0.5(2) . . . . ?
B3 B8 B9 B4 37.19(15) . . . . ?
B11 B8 B9 B4 138.01(17) . . . . ?
B7 B8 B9 B4 100.61(17) . . . . ?
B3 B8 B9 B11 -100.83(18) . . . . ?
B4 B8 B9 B11 -138.01(17) . . . . ?
B7 B8 B9 B11 -37.40(15) . . . . ?
C1 B4 B9 B5 39.82(14) . . . . ?
B3 B4 B9 B5 101.39(17) . . . . ?
B8 B4 B9 B5 138.49(17) . . . . ?
C1 B4 B9 B8 -98.66(16) . . . . ?
B3 B4 B9 B8 -37.10(15) . . . . ?
B5 B4 B9 B8 -138.49(17) . . . . ?
C1 B4 B9 B10 1.5(2) . . . . ?
B3 B4 B9 B10 63.1(2) . . . . ?
B5 B4 B9 B10 -38.29(15) . . . . ?
B8 B4 B9 B10 100.19(18) . . . . ?
C1 B4 B9 B11 -61.21(19) . . . . ?
B3 B4 B9 B11 0.4(2) . . . . ?
B5 B4 B9 B11 -101.03(18) . . . . ?
B8 B4 B9 B11 37.46(15) . . . . ?
C3 C2 B10 B11 -160.19(18) . . . . ?
C1 C2 B10 B11 64.07(19) . . . . ?
B6 C2 B10 B11 -40.22(15) . . . . ?
B5 C2 B10 B11 102.31(17) . . . . ?
B2 C2 B10 B11 -3.3(2) . . . . ?
C3 C2 B10 B6 -120.0(2) . . . . ?
C1 C2 B10 B6 104.29(16) . . . . ?
B5 C2 B10 B6 142.53(16) . . . . ?
B2 C2 B10 B6 36.92(16) . . . . ?
C3 C2 B10 B5 97.5(2) . . . . ?
C1 C2 B10 B5 -38.25(15) . . . . ?
B6 C2 B10 B5 -142.53(16) . . . . ?
B2 C2 B10 B5 -105.61(17) . . . . ?
C3 C2 B10 B9 137.12(19) . . . . ?
C1 C2 B10 B9 1.4(2) . . . . ?
B6 C2 B10 B9 -102.90(17) . . . . ?
B5 C2 B10 B9 39.63(15) . . . . ?
B2 C2 B10 B9 -66.0(2) . . . . ?
B11 B6 B10 C2 -133.81(16) . . . . ?
B2 B6 B10 C2 -33.74(14) . . . . ?
B7 B6 B10 C2 -96.11(16) . . . . ?
C2 B6 B10 B11 133.81(16) . . . . ?
B2 B6 B10 B11 100.07(17) . . . . ?
B7 B6 B10 B11 37.69(15) . . . . ?
C2 B6 B10 B5 33.69(15) . . . . ?
B11 B6 B10 B5 -100.11(18) . . . . ?
B2 B6 B10 B5 0.0(2) . . . . ?
B7 B6 B10 B5 -62.4(2) . . . . ?
C2 B6 B10 B9 96.24(16) . . . . ?
B11 B6 B10 B9 -37.57(15) . . . . ?
B2 B6 B10 B9 62.49(19) . . . . ?
B7 B6 B10 B9 0.1(2) . . . . ?
C1 B5 B10 C2 34.32(13) . . . . ?
B9 B5 B10 C2 133.92(17) . . . . ?
B4 B5 B10 C2 95.26(17) . . . . ?
C2 B5 B10 B11 -96.78(17) . . . . ?
C1 B5 B10 B11 -62.46(19) . . . . ?
B9 B5 B10 B11 37.14(16) . . . . ?
B4 B5 B10 B11 -1.5(2) . . . . ?
C2 B5 B10 B6 -33.24(14) . . . . ?
C1 B5 B10 B6 1.1(2) . . . . ?
B9 B5 B10 B6 100.67(18) . . . . ?
B4 B5 B10 B6 62.0(2) . . . . ?
C2 B5 B10 B9 -133.92(17) . . . . ?
C1 B5 B10 B9 -99.60(16) . . . . ?
B4 B5 B10 B9 -38.66(16) . . . . ?
B5 B9 B10 C2 -40.01(14) . . . . ?
B8 B9 B10 C2 61.50(19) . . . . ?
B4 B9 B10 C2 -1.8(2) . . . . ?
B11 B9 B10 C2 98.62(17) . . . . ?
B5 B9 B10 B11 -138.63(17) . . . . ?
B8 B9 B10 B11 -37.12(15) . . . . ?
B4 B9 B10 B11 -100.39(18) . . . . ?
B5 B9 B10 B6 -101.25(17) . . . . ?
B8 B9 B10 B6 0.3(2) . . . . ?
B4 B9 B10 B6 -63.0(2) . . . . ?
B11 B9 B10 B6 37.38(15) . . . . ?
B8 B9 B10 B5 101.51(17) . . . . ?
B4 B9 B10 B5 38.24(15) . . . . ?
B11 B9 B10 B5 138.63(17) . . . . ?
C2 B10 B11 B6 39.50(14) . . . . ?
B5 B10 B11 B6 101.85(17) . . . . ?
B9 B10 B11 B6 138.32(16) . . . . ?
C2 B10 B11 B8 -61.6(2) . . . . ?
B6 B10 B11 B8 -101.13(18) . . . . ?
B5 B10 B11 B8 0.7(2) . . . . ?
B9 B10 B11 B8 37.19(16) . . . . ?
C2 B10 B11 B9 -98.82(16) . . . . ?
B6 B10 B11 B9 -138.32(16) . . . . ?
B5 B10 B11 B9 -36.48(15) . . . . ?
C2 B10 B11 B7 1.9(2) . . . . ?
B6 B10 B11 B7 -37.61(15) . . . . ?
B5 B10 B11 B7 64.2(2) . . . . ?
B9 B10 B11 B7 100.72(18) . . . . ?
C2 B6 B11 B10 -39.09(14) . . . . ?
B2 B6 B11 B10 -101.11(16) . . . . ?
B7 B6 B11 B10 -138.08(16) . . . . ?
C2 B6 B11 B8 61.71(19) . . . . ?
B10 B6 B11 B8 100.80(18) . . . . ?
B2 B6 B11 B8 -0.3(2) . . . . ?
B7 B6 B11 B8 -37.28(15) . . . . ?
C2 B6 B11 B9 -1.7(2) . . . . ?
B10 B6 B11 B9 37.44(15) . . . . ?
B2 B6 B11 B9 -63.7(2) . . . . ?
B7 B6 B11 B9 -100.64(18) . . . . ?
C2 B6 B11 B7 98.98(16) . . . . ?
B10 B6 B11 B7 138.08(16) . . . . ?
B2 B6 B11 B7 36.96(14) . . . . ?
B3 B8 B11 B10 63.8(2) . . . . ?
B9 B8 B11 B10 -37.35(16) . . . . ?
B4 B8 B11 B10 0.3(2) . . . . ?
B7 B8 B11 B10 101.05(17) . . . . ?
B3 B8 B11 B6 0.1(2) . . . . ?
B9 B8 B11 B6 -101.06(17) . . . . ?
B4 B8 B11 B6 -63.4(2) . . . . ?
B7 B8 B11 B6 37.34(15) . . . . ?
B3 B8 B11 B9 101.13(17) . . . . ?
B4 B8 B11 B9 37.70(15) . . . . ?
B7 B8 B11 B9 138.40(16) . . . . ?
B3 B8 B11 B7 -37.27(15) . . . . ?
B9 B8 B11 B7 -138.40(16) . . . . ?
B4 B8 B11 B7 -100.70(17) . . . . ?
B5 B9 B11 B10 37.19(15) . . . . ?
B8 B9 B11 B10 138.33(17) . . . . ?
B4 B9 B11 B10 100.89(17) . . . . ?
B5 B9 B11 B6 -0.3(2) . . . . ?
B8 B9 B11 B6 100.89(18) . . . . ?
B10 B9 B11 B6 -37.44(15) . . . . ?
B4 B9 B11 B6 63.4(2) . . . . ?
B5 B9 B11 B8 -101.14(18) . . . . ?
B10 B9 B11 B8 -138.33(17) . . . . ?
B4 B9 B11 B8 -37.44(15) . . . . ?
B5 B9 B11 B7 -63.9(2) . . . . ?
B8 B9 B11 B7 37.21(16) . . . . ?
B10 B9 B11 B7 -101.13(17) . . . . ?
B4 B9 B11 B7 -0.2(2) . . . . ?
B2 B7 B11 B10 0.0(2) . . . . ?
B3 B7 B11 B10 -63.7(2) . . . . ?
B6 B7 B11 B10 37.62(15) . . . . ?
B8 B7 B11 B10 -100.78(18) . . . . ?
B2 B7 B11 B6 -37.63(15) . . . . ?
B3 B7 B11 B6 -101.27(17) . . . . ?
B8 B7 B11 B6 -138.40(16) . . . . ?
B2 B7 B11 B8 100.77(17) . . . . ?
B3 B7 B11 B8 37.13(15) . . . . ?
B6 B7 B11 B8 138.40(16) . . . . ?
B2 B7 B11 B9 63.7(2) . . . . ?
B3 B7 B11 B9 0.0(2) . . . . ?
B6 B7 B11 B9 101.29(17) . . . . ?
B8 B7 B11 B9 -37.11(15) . . . . ?
C15 C14 B12 C5 -107.78(17) . . . . ?
B16 C14 B12 C5 138.04(15) . . . . ?
B20 C14 B12 C5 101.50(16) . . . . ?
B15 C14 B12 C5 33.52(14) . . . . ?
C15 C14 B12 B17 153.30(16) . . . . ?
C5 C14 B12 B17 -98.92(16) . . . . ?
B16 C14 B12 B17 39.12(15) . . . . ?
B20 C14 B12 B17 2.6(2) . . . . ?
B15 C14 B12 B17 -65.40(19) . . . . ?
C15 C14 B12 B16 114.18(18) . . . . ?
C5 C14 B12 B16 -138.04(15) . . . . ?
B20 C14 B12 B16 -36.54(15) . . . . ?
B15 C14 B12 B16 -104.52(16) . . . . ?
C15 C14 B12 B13 -143.66(16) . . . . ?
C5 C14 B12 B13 -35.88(13) . . . . ?
B16 C14 B12 B13 102.16(16) . . . . ?
B20 C14 B12 B13 65.61(18) . . . . ?
B15 C14 B12 B13 -2.4(2) . . . . ?
B1 C5 B12 C14 113.56(18) . . . . ?
B14 C5 B12 C14 -101.36(16) . . . . ?
B13 C5 B12 C14 -138.56(15) . . . . ?
B15 C5 B12 C14 -33.45(14) . . . . ?
B1 C5 B12 B17 -147.55(16) . . . . ?
C14 C5 B12 B17 98.89(16) . . . . ?
B14 C5 B12 B17 -2.5(2) . . . . ?
B13 C5 B12 B17 -39.68(14) . . . . ?
B15 C5 B12 B17 65.44(18) . . . . ?
B1 C5 B12 B16 149.80(16) . . . . ?
C14 C5 B12 B16 36.24(13) . . . . ?
B14 C5 B12 B16 -65.12(18) . . . . ?
B13 C5 B12 B16 -102.32(16) . . . . ?
B15 C5 B12 B16 2.8(2) . . . . ?
B1 C5 B12 B13 -107.88(18) . . . . ?
C14 C5 B12 B13 138.56(15) . . . . ?
B14 C5 B12 B13 37.20(15) . . . . ?
B15 C5 B12 B13 105.11(16) . . . . ?
B1 C5 B13 B18 -147.53(16) . . . . ?
C14 C5 B13 B18 63.97(18) . . . . ?
B14 C5 B13 B18 -38.94(14) . . . . ?
B15 C5 B13 B18 -2.1(2) . . . . ?
B12 C5 B13 B18 102.02(16) . . . . ?
B1 C5 B13 B12 110.45(18) . . . . ?
C14 C5 B13 B12 -38.05(14) . . . . ?
B14 C5 B13 B12 -140.96(15) . . . . ?
B15 C5 B13 B12 -104.16(16) . . . . ?
B1 C5 B13 B14 -108.59(18) . . . . ?
C14 C5 B13 B14 102.91(15) . . . . ?
B15 C5 B13 B14 36.80(15) . . . . ?
B12 C5 B13 B14 140.96(15) . . . . ?
B1 C5 B13 B17 149.52(16) . . . . ?
C14 C5 B13 B17 1.0(2) . . . . ?
B14 C5 B13 B17 -101.89(17) . . . . ?
B15 C5 B13 B17 -65.09(19) . . . . ?
B12 C5 B13 B17 39.07(14) . . . . ?
C14 B12 B13 C5 35.56(13) . . . . ?
B17 B12 B13 C5 135.06(16) . . . . ?
B16 B12 B13 C5 96.98(16) . . . . ?
C14 B12 B13 B18 -61.88(19) . . . . ?
C5 B12 B13 B18 -97.44(17) . . . . ?
B17 B12 B13 B18 37.62(16) . . . . ?
B16 B12 B13 B18 -0.5(2) . . . . ?
C14 B12 B13 B14 1.04(19) . . . . ?
C5 B12 B13 B14 -34.52(14) . . . . ?
B17 B12 B13 B14 100.54(17) . . . . ?
B16 B12 B13 B14 62.46(19) . . . . ?
C14 B12 B13 B17 -99.50(16) . . . . ?
C5 B12 B13 B17 -135.06(16) . . . . ?
B16 B12 B13 B17 -38.08(15) . . . . ?
B1 C5 B14 B18 148.04(16) . . . . ?
C14 C5 B14 B18 -63.58(19) . . . . ?
B13 C5 B14 B18 39.38(15) . . . . ?
B15 C5 B14 B18 -102.05(17) . . . . ?
B12 C5 B14 B18 2.3(2) . . . . ?
B1 C5 B14 B15 -109.92(18) . . . . ?
C14 C5 B14 B15 38.47(14) . . . . ?
B13 C5 B14 B15 141.43(16) . . . . ?
B12 C5 B14 B15 104.37(16) . . . . ?
B1 C5 B14 B19 -148.67(16) . . . . ?
C14 C5 B14 B19 -0.3(2) . . . . ?
B13 C5 B14 B19 102.68(17) . . . . ?
B15 C5 B14 B19 -38.75(15) . . . . ?
B12 C5 B14 B19 65.62(19) . . . . ?
B1 C5 B14 B13 108.65(18) . . . . ?
C14 C5 B14 B13 -102.96(16) . . . . ?
B15 C5 B14 B13 -141.43(16) . . . . ?
B12 C5 B14 B13 -37.06(15) . . . . ?
B18 B13 B14 C5 135.28(16) . . . . ?
B12 B13 B14 C5 34.79(14) . . . . ?
B17 B13 B14 C5 97.50(16) . . . . ?
C5 B13 B14 B18 -135.28(16) . . . . ?
B12 B13 B14 B18 -100.49(17) . . . . ?
B17 B13 B14 B18 -37.78(15) . . . . ?
C5 B13 B14 B15 -34.25(14) . . . . ?
B18 B13 B14 B15 101.03(17) . . . . ?
B12 B13 B14 B15 0.5(2) . . . . ?
B17 B13 B14 B15 63.25(19) . . . . ?
C5 B13 B14 B19 -97.34(16) . . . . ?
B18 B13 B14 B19 37.94(15) . . . . ?
B12 B13 B14 B19 -62.55(19) . . . . ?
B17 B13 B14 B19 0.2(2) . . . . ?
B1 C5 B15 C14 -113.78(18) . . . . ?
B14 C5 B15 C14 138.13(15) . . . . ?
B13 C5 B15 C14 101.26(16) . . . . ?
B12 C5 B15 C14 33.41(14) . . . . ?
B1 C5 B15 B19 147.25(16) . . . . ?
C14 C5 B15 B19 -98.96(16) . . . . ?
B14 C5 B15 B19 39.17(14) . . . . ?
B13 C5 B15 B19 2.3(2) . . . . ?
B12 C5 B15 B19 -65.55(18) . . . . ?
B1 C5 B15 B20 -149.71(16) . . . . ?
C14 C5 B15 B20 -35.93(14) . . . . ?
B14 C5 B15 B20 102.20(17) . . . . ?
B13 C5 B15 B20 65.33(19) . . . . ?
B12 C5 B15 B20 -2.5(2) . . . . ?
B1 C5 B15 B14 108.08(18) . . . . ?
C14 C5 B15 B14 -138.13(15) . . . . ?
B13 C5 B15 B14 -36.88(15) . . . . ?
B12 C5 B15 B14 -104.72(16) . . . . ?
C15 C14 B15 C5 107.30(17) . . . . ?
B16 C14 B15 C5 -101.60(16) . . . . ?
B20 C14 B15 C5 -138.76(16) . . . . ?
B12 C14 B15 C5 -33.66(14) . . . . ?
C15 C14 B15 B19 -153.47(16) . . . . ?
C5 C14 B15 B19 99.22(16) . . . . ?
B16 C14 B15 B19 -2.4(2) . . . . ?
B20 C14 B15 B19 -39.54(15) . . . . ?
B12 C14 B15 B19 65.56(18) . . . . ?
C15 C14 B15 B20 -113.94(18) . . . . ?
C5 C14 B15 B20 138.76(16) . . . . ?
B16 C14 B15 B20 37.16(15) . . . . ?
B12 C14 B15 B20 105.10(17) . . . . ?
C15 C14 B15 B14 143.66(16) . . . . ?
C5 C14 B15 B14 36.36(13) . . . . ?
B16 C14 B15 B14 -65.24(18) . . . . ?
B20 C14 B15 B14 -102.40(17) . . . . ?
B12 C14 B15 B14 2.7(2) . . . . ?
B18 B14 B15 C5 97.87(16) . . . . ?
B19 B14 B15 C5 135.62(16) . . . . ?
B13 B14 B15 C5 34.17(14) . . . . ?
C5 B14 B15 C14 -36.07(13) . . . . ?
B18 B14 B15 C14 61.80(18) . . . . ?
B19 B14 B15 C14 99.55(16) . . . . ?
B13 B14 B15 C14 -1.90(19) . . . . ?
C5 B14 B15 B19 -135.62(16) . . . . ?
B18 B14 B15 B19 -37.75(15) . . . . ?
B13 B14 B15 B19 -101.45(17) . . . . ?
C5 B14 B15 B20 -97.85(16) . . . . ?
B18 B14 B15 B20 0.0(2) . . . . ?
B19 B14 B15 B20 37.77(15) . . . . ?
B13 B14 B15 B20 -63.68(19) . . . . ?
C15 C14 B16 B17 -144.59(17) . . . . ?
C5 C14 B16 B17 -0.2(2) . . . . ?
B20 C14 B16 B17 102.89(17) . . . . ?
B15 C14 B16 B17 65.84(19) . . . . ?
B12 C14 B16 B17 -38.91(15) . . . . ?
C15 C14 B16 B20 112.53(19) . . . . ?
C5 C14 B16 B20 -103.05(16) . . . . ?
B15 C14 B16 B20 -37.05(15) . . . . ?
B12 C14 B16 B20 -141.80(16) . . . . ?
C15 C14 B16 B21 152.44(17) . . . . ?
C5 C14 B16 B21 -63.13(18) . . . . ?
B20 C14 B16 B21 39.92(15) . . . . ?
B15 C14 B16 B21 2.9(2) . . . . ?
B12 C14 B16 B21 -101.88(17) . . . . ?
C15 C14 B16 B12 -105.68(19) . . . . ?
C5 C14 B16 B12 38.75(14) . . . . ?
B20 C14 B16 B12 141.80(16) . . . . ?
B15 C14 B16 B12 104.75(16) . . . . ?
C5 B12 B16 C14 -35.93(13) . . . . ?
B17 B12 B16 C14 -135.54(16) . . . . ?
B13 B12 B16 C14 -97.31(16) . . . . ?
C14 B12 B16 B17 135.54(16) . . . . ?
C5 B12 B16 B17 99.61(16) . . . . ?
B13 B12 B16 B17 38.22(15) . . . . ?
C14 B12 B16 B20 34.00(14) . . . . ?
C5 B12 B16 B20 -1.9(2) . . . . ?
B17 B12 B16 B20 -101.53(17) . . . . ?
B13 B12 B16 B20 -63.31(19) . . . . ?
C14 B12 B16 B21 97.82(17) . . . . ?
C5 B12 B16 B21 61.89(19) . . . . ?
B17 B12 B16 B21 -37.72(16) . . . . ?
B13 B12 B16 B21 0.5(2) . . . . ?
C14 B12 B17 B16 -38.37(14) . . . . ?
C5 B12 B17 B16 -98.72(16) . . . . ?
B13 B12 B17 B16 -137.51(16) . . . . ?
C14 B12 B17 B21 -0.9(2) . . . . ?
C5 B12 B17 B21 -61.25(19) . . . . ?
B16 B12 B17 B21 37.48(15) . . . . ?
B13 B12 B17 B21 -100.03(17) . . . . ?
C14 B12 B17 B13 99.13(16) . . . . ?
C5 B12 B17 B13 38.78(14) . . . . ?
B16 B12 B17 B13 137.51(16) . . . . ?
C14 B12 B17 B18 61.93(19) . . . . ?
C5 B12 B17 B18 1.6(2) . . . . ?
B16 B12 B17 B18 100.30(17) . . . . ?
B13 B12 B17 B18 -37.21(15) . . . . ?
C14 B16 B17 B12 38.80(14) . . . . ?
B20 B16 B17 B12 100.87(17) . . . . ?
B21 B16 B17 B12 137.95(16) . . . . ?
C14 B16 B17 B21 -99.15(16) . . . . ?
B20 B16 B17 B21 -37.08(15) . . . . ?
B12 B16 B17 B21 -137.95(16) . . . . ?
C14 B16 B17 B13 0.8(2) . . . . ?
B20 B16 B17 B13 62.9(2) . . . . ?
B21 B16 B17 B13 99.93(18) . . . . ?
B12 B16 B17 B13 -38.02(15) . . . . ?
C14 B16 B17 B18 -62.07(19) . . . . ?
B20 B16 B17 B18 0.0(2) . . . . ?
B21 B16 B17 B18 37.07(15) . . . . ?
B12 B16 B17 B18 -100.87(17) . . . . ?
C5 B13 B17 B12 -39.13(14) . . . . ?
B18 B13 B17 B12 -138.10(17) . . . . ?
B14 B13 B17 B12 -100.74(16) . . . . ?
C5 B13 B17 B16 -1.1(2) . . . . ?
B18 B13 B17 B16 -100.07(18) . . . . ?
B12 B13 B17 B16 38.03(15) . . . . ?
B14 B13 B17 B16 -62.7(2) . . . . ?
C5 B13 B17 B21 61.98(19) . . . . ?
B18 B13 B17 B21 -36.99(15) . . . . ?
B12 B13 B17 B21 101.11(17) . . . . ?
B14 B13 B17 B21 0.4(2) . . . . ?
C5 B13 B17 B18 98.97(17) . . . . ?
B12 B13 B17 B18 138.10(17) . . . . ?
B14 B13 B17 B18 37.36(15) . . . . ?
C5 B14 B18 B21 62.12(19) . . . . ?
B15 B14 B18 B21 0.1(2) . . . . ?
B19 B14 B18 B21 -37.19(15) . . . . ?
B13 B14 B18 B21 100.90(17) . . . . ?
C5 B14 B18 B13 -38.78(14) . . . . ?
B15 B14 B18 B13 -100.83(16) . . . . ?
B19 B14 B18 B13 -138.08(16) . . . . ?
C5 B14 B18 B19 99.30(16) . . . . ?
B15 B14 B18 B19 37.25(15) . . . . ?
B13 B14 B18 B19 138.08(16) . . . . ?
C5 B14 B18 B17 -1.2(2) . . . . ?
B15 B14 B18 B17 -63.3(2) . . . . ?
B19 B14 B18 B17 -100.52(17) . . . . ?
B13 B14 B18 B17 37.56(15) . . . . ?
C5 B13 B18 B14 38.59(14) . . . . ?
B12 B13 B18 B14 100.83(17) . . . . ?
B17 B13 B18 B14 137.94(16) . . . . ?
C5 B13 B18 B21 -62.0(2) . . . . ?
B12 B13 B18 B21 0.2(2) . . . . ?
B14 B13 B18 B21 -100.59(18) . . . . ?
B17 B13 B18 B21 37.35(16) . . . . ?
C5 B13 B18 B19 1.1(2) . . . . ?
B12 B13 B18 B19 63.4(2) . . . . ?
B14 B13 B18 B19 -37.47(15) . . . . ?
B17 B13 B18 B19 100.47(17) . . . . ?
C5 B13 B18 B17 -99.36(16) . . . . ?
B12 B13 B18 B17 -37.11(15) . . . . ?
B14 B13 B18 B17 -137.94(16) . . . . ?
B12 B17 B18 B14 -0.2(2) . . . . ?
B16 B17 B18 B14 63.2(2) . . . . ?
B21 B17 B18 B14 100.47(18) . . . . ?
B13 B17 B18 B14 -37.70(15) . . . . ?
B12 B17 B18 B21 -100.70(17) . . . . ?
B16 B17 B18 B21 -37.22(15) . . . . ?
B13 B17 B18 B21 -138.17(17) . . . . ?
B12 B17 B18 B13 37.46(15) . . . . ?
B16 B17 B18 B13 100.95(17) . . . . ?
B21 B17 B18 B13 138.17(17) . . . . ?
B12 B17 B18 B19 -63.57(19) . . . . ?
B16 B17 B18 B19 -0.1(2) . . . . ?
B21 B17 B18 B19 37.13(15) . . . . ?
B13 B17 B18 B19 -101.03(17) . . . . ?
C5 B15 B19 B21 61.59(19) . . . . ?
C14 B15 B19 B21 0.9(2) . . . . ?
B20 B15 B19 B21 -37.96(15) . . . . ?
B14 B15 B19 B21 100.08(17) . . . . ?
C5 B15 B19 B14 -38.48(14) . . . . ?
C14 B15 B19 B14 -99.21(16) . . . . ?
B20 B15 B19 B14 -138.04(17) . . . . ?
C5 B15 B19 B20 99.55(16) . . . . ?
C14 B15 B19 B20 38.82(14) . . . . ?
B14 B15 B19 B20 138.04(17) . . . . ?
C5 B15 B19 B18 -1.5(2) . . . . ?
C14 B15 B19 B18 -62.18(18) . . . . ?
B20 B15 B19 B18 -101.00(17) . . . . ?
B14 B15 B19 B18 37.03(15) . . . . ?
C5 B14 B19 B15 38.55(14) . . . . ?
B18 B14 B19 B15 138.16(16) . . . . ?
B13 B14 B19 B15 100.43(17) . . . . ?
C5 B14 B19 B21 -62.51(19) . . . . ?
B18 B14 B19 B21 37.09(15) . . . . ?
B15 B14 B19 B21 -101.06(17) . . . . ?
B13 B14 B19 B21 -0.6(2) . . . . ?
C5 B14 B19 B20 1.0(2) . . . . ?
B18 B14 B19 B20 100.60(18) . . . . ?
B15 B14 B19 B20 -37.55(15) . . . . ?
B13 B14 B19 B20 62.9(2) . . . . ?
C5 B14 B19 B18 -99.61(17) . . . . ?
B15 B14 B19 B18 -138.16(16) . . . . ?
B13 B14 B19 B18 -37.73(15) . . . . ?
B14 B18 B19 B15 -37.39(15) . . . . ?
B21 B18 B19 B15 100.79(17) . . . . ?
B13 B18 B19 B15 0.2(2) . . . . ?
B17 B18 B19 B15 63.55(19) . . . . ?
B14 B18 B19 B21 -138.18(16) . . . . ?
B13 B18 B19 B21 -100.58(17) . . . . ?
B17 B18 B19 B21 -37.25(15) . . . . ?
B21 B18 B19 B14 138.18(16) . . . . ?
B13 B18 B19 B14 37.60(15) . . . . ?
B17 B18 B19 B14 100.94(17) . . . . ?
B14 B18 B19 B20 -100.80(16) . . . . ?
B21 B18 B19 B20 37.38(15) . . . . ?
B13 B18 B19 B20 -63.2(2) . . . . ?
B17 B18 B19 B20 0.1(2) . . . . ?
C15 C14 B20 B15 106.6(2) . . . . ?
C5 C14 B20 B15 -37.94(14) . . . . ?
B16 C14 B20 B15 -140.96(16) . . . . ?
B12 C14 B20 B15 -104.50(16) . . . . ?
C15 C14 B20 B16 -112.4(2) . . . . ?
C5 C14 B20 B16 103.02(16) . . . . ?
B15 C14 B20 B16 140.96(16) . . . . ?
B12 C14 B20 B16 36.47(15) . . . . ?
C15 C14 B20 B19 145.71(18) . . . . ?
C5 C14 B20 B19 1.2(2) . . . . ?
B16 C14 B20 B19 -101.86(17) . . . . ?
B15 C14 B20 B19 39.11(15) . . . . ?
B12 C14 B20 B19 -65.39(19) . . . . ?
C15 C14 B20 B21 -152.04(17) . . . . ?
C5 C14 B20 B21 63.42(18) . . . . ?
B16 C14 B20 B21 -39.60(14) . . . . ?
B15 C14 B20 B21 101.36(16) . . . . ?
B12 C14 B20 B21 -3.1(2) . . . . ?
C5 B15 B20 C14 35.63(13) . . . . ?
B19 B15 B20 C14 135.18(16) . . . . ?
B14 B15 B20 C14 97.45(16) . . . . ?
C5 B15 B20 B16 1.2(2) . . . . ?
C14 B15 B20 B16 -34.45(14) . . . . ?
B19 B15 B20 B16 100.73(17) . . . . ?
B14 B15 B20 B16 63.00(19) . . . . ?
C5 B15 B20 B19 -99.55(16) . . . . ?
C14 B15 B20 B19 -135.18(16) . . . . ?
B14 B15 B20 B19 -37.74(15) . . . . ?
C5 B15 B20 B21 -61.91(18) . . . . ?
C14 B15 B20 B21 -97.54(16) . . . . ?
B19 B15 B20 B21 37.64(15) . . . . ?
B14 B15 B20 B21 -0.1(2) . . . . ?
B17 B16 B20 C14 -97.49(16) . . . . ?
B21 B16 B20 C14 -134.61(16) . . . . ?
B12 B16 B20 C14 -34.16(14) . . . . ?
C14 B16 B20 B15 34.63(14) . . . . ?
B17 B16 B20 B15 -62.86(19) . . . . ?
B21 B16 B20 B15 -99.98(17) . . . . ?
B12 B16 B20 B15 0.5(2) . . . . ?
C14 B16 B20 B19 97.58(16) . . . . ?
B17 B16 B20 B19 0.1(2) . . . . ?
B21 B16 B20 B19 -37.03(14) . . . . ?
B12 B16 B20 B19 63.42(19) . . . . ?
C14 B16 B20 B21 134.61(16) . . . . ?
B17 B16 B20 B21 37.12(15) . . . . ?
B12 B16 B20 B21 100.45(17) . . . . ?
B15 B19 B20 C14 -38.93(14) . . . . ?
B21 B19 B20 C14 98.64(17) . . . . ?
B14 B19 B20 C14 -1.3(2) . . . . ?
B18 B19 B20 C14 61.46(19) . . . . ?
B21 B19 B20 B15 137.57(17) . . . . ?
B14 B19 B20 B15 37.61(15) . . . . ?
B18 B19 B20 B15 100.38(17) . . . . ?
B15 B19 B20 B16 -100.52(17) . . . . ?
B21 B19 B20 B16 37.04(15) . . . . ?
B14 B19 B20 B16 -62.9(2) . . . . ?
B18 B19 B20 B16 -0.1(2) . . . . ?
B15 B19 B20 B21 -137.57(17) . . . . ?
B14 B19 B20 B21 -99.96(18) . . . . ?
B18 B19 B20 B21 -37.18(15) . . . . ?
C14 B16 B21 B19 -2.2(2) . . . . ?
B17 B16 B21 B19 -101.83(17) . . . . ?
B20 B16 B21 B19 37.12(15) . . . . ?
B12 B16 B21 B19 -64.4(2) . . . . ?
C14 B16 B21 B18 61.9(2) . . . . ?
B17 B16 B21 B18 -37.74(16) . . . . ?
B20 B16 B21 B18 101.21(18) . . . . ?
B12 B16 B21 B18 -0.4(2) . . . . ?
C14 B16 B21 B20 -39.31(14) . . . . ?
B17 B16 B21 B20 -138.95(16) . . . . ?
B12 B16 B21 B20 -101.56(17) . . . . ?
C14 B16 B21 B17 99.64(16) . . . . ?
B20 B16 B21 B17 138.95(16) . . . . ?
B12 B16 B21 B17 37.39(15) . . . . ?
B15 B19 B21 B16 0.8(2) . . . . ?
B14 B19 B21 B16 64.3(2) . . . . ?
B20 B19 B21 B16 -37.07(15) . . . . ?
B18 B19 B21 B16 101.21(17) . . . . ?
B15 B19 B21 B18 -100.38(17) . . . . ?
B14 B19 B21 B18 -36.93(15) . . . . ?
B20 B19 B21 B18 -138.27(16) . . . . ?
B15 B19 B21 B20 37.89(15) . . . . ?
B14 B19 B21 B20 101.34(17) . . . . ?
B18 B19 B21 B20 138.27(16) . . . . ?
B15 B19 B21 B17 -62.6(2) . . . . ?
B14 B19 B21 B17 0.9(2) . . . . ?
B20 B19 B21 B17 -100.48(17) . . . . ?
B18 B19 B21 B17 37.80(15) . . . . ?
B14 B18 B21 B16 -63.5(2) . . . . ?
B13 B18 B21 B16 0.1(2) . . . . ?
B19 B18 B21 B16 -100.84(17) . . . . ?
B17 B18 B21 B16 37.41(15) . . . . ?
B14 B18 B21 B19 37.29(15) . . . . ?
B13 B18 B21 B19 100.91(17) . . . . ?
B17 B18 B21 B19 138.26(16) . . . . ?
B14 B18 B21 B20 -0.1(2) . . . . ?
B13 B18 B21 B20 63.5(2) . . . . ?
B19 B18 B21 B20 -37.41(15) . . . . ?
B17 B18 B21 B20 100.84(17) . . . . ?
B14 B18 B21 B17 -100.96(17) . . . . ?
B13 B18 B21 B17 -37.34(15) . . . . ?
B19 B18 B21 B17 -138.26(16) . . . . ?
C14 B20 B21 B16 39.08(14) . . . . ?
B15 B20 B21 B16 100.95(16) . . . . ?
B19 B20 B21 B16 138.49(16) . . . . ?
C14 B20 B21 B19 -99.41(16) . . . . ?
B15 B20 B21 B19 -37.54(14) . . . . ?
B16 B20 B21 B19 -138.49(16) . . . . ?
C14 B20 B21 B18 -61.74(19) . . . . ?
B15 B20 B21 B18 0.1(2) . . . . ?
B16 B20 B21 B18 -100.82(17) . . . . ?
B19 B20 B21 B18 37.67(15) . . . . ?
C14 B20 B21 B17 2.4(2) . . . . ?
B15 B20 B21 B17 64.28(19) . . . . ?
B16 B20 B21 B17 -36.67(15) . . . . ?
B19 B20 B21 B17 101.82(17) . . . . ?
B12 B17 B21 B16 -37.65(15) . . . . ?
B13 B17 B21 B16 -101.08(17) . . . . ?
B18 B17 B21 B16 -138.12(16) . . . . ?
B12 B17 B21 B19 62.7(2) . . . . ?
B16 B17 B21 B19 100.31(17) . . . . ?
B13 B17 B21 B19 -0.8(2) . . . . ?
B18 B17 B21 B19 -37.80(15) . . . . ?
B12 B17 B21 B18 100.47(17) . . . . ?
B16 B17 B21 B18 138.12(16) . . . . ?
B13 B17 B21 B18 37.03(15) . . . . ?
B12 B17 B21 B20 -1.0(2) . . . . ?
B16 B17 B21 B20 36.69(15) . . . . ?
B13 B17 B21 B20 -64.39(19) . . . . ?
B18 B17 B21 B20 -101.42(17) . . . . ?

_refine_diff_density_max         0.614
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.049

_shelxl_version_number           2013-3


# start Validation Reply Form
_vrf_PLAT097_CDM676_JT_TWIN      
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       0.61 eA-3  
RESPONSE: 'THE CRYSTAL EXHIBITED POOR DIFFRACTION QUALITY AND INSTABILITY IN THE OPEN ATMOSPHERE, THE CRYSTAL WAS SOLVED IN MONOCLINIC SPACE GROUP WITH TWIN MODELING THEN TRANSFORMED TO ORTHORHOMBIC VIA PLATON'
;
# end Validation Reply Form  
_exptl_crystal_recrystallization_method 
'vapor diffusion by dichloromethane solution into toluene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2331154'
loop_
_audit_author_name
_audit_author_address
'Yijie Li'
;Baylor University
United States of America
;
_audit_update_record             
;
2024-02-09 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        3
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H21 B11'
_chemical_formula_weight         356.26

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.4807(5)
_cell_length_b                   9.3411(5)
_cell_length_c                   18.5768(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.484(2)
_cell_angle_gamma                90
_cell_volume                     1979.48(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9981
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      27.12

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_F_000             736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.493
_exptl_crystal_size_mid          0.461
_exptl_crystal_size_min          0.173
_exptl_absorpt_coefficient_mu    0.059
_shelx_estimated_absorpt_T_min   0.971
_shelx_estimated_absorpt_T_max   0.990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_process_details   SADabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62530
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.444
_diffrn_reflns_theta_max         27.115
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4350
_reflns_number_gt                3933
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0612P)²+1.0012P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'DIRECT METHODS'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4350
_refine_ls_number_parameters     262
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1329
_refine_ls_wR_factor_gt          0.1269
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.000
_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
C5 C 0.11678(10) 0.34595(13) 0.19742(6) 0.0230(3) Uani 1 1 d . . . . .
C4 C 0.00152(10) 0.32027(13) 0.16036(6) 0.0210(2) Uani 1 1 d . . . . .
C3 C -0.09696(10) 0.28230(13) 0.19677(6) 0.0214(2) Uani 1 1 d . . . . .
C2 C -0.08785(10) 0.26830(13) 0.27752(6) 0.0205(2) Uani 1 1 d . . . . .
C1 C 0.03958(10) 0.30471(13) 0.32578(6) 0.0215(2) Uani 1 1 d . . . . .
C13 C 0.20674(11) 0.38027(15) 0.15627(7) 0.0287(3) Uani 1 1 d . . . . .
H6 H 0.2826 0.3990 0.1804 0.034 Uiso 1 1 calc R U . . .
C12 C 0.18949(12) 0.38829(16) 0.08031(7) 0.0314(3) Uani 1 1 d . . . . .
H7 H 0.2532 0.4101 0.0537 0.038 Uiso 1 1 calc R U . . .
C11 C 0.08033(12) 0.36446(15) 0.04502(7) 0.0284(3) Uani 1 1 d . . . . .
H8 H 0.0688 0.3708 -0.0063 0.034 Uiso 1 1 calc R U . . .
C10 C -0.01596(11) 0.33046(13) 0.08318(6) 0.0238(3) Uani 1 1 d . . . . .
C9 C -0.12767(12) 0.30350(14) 0.04506(7) 0.0270(3) Uani 1 1 d . . . . .
H10 H -0.1383 0.3104 -0.0063 0.032 Uiso 1 1 calc R U . . .
C8 C -0.22001(11) 0.26768(15) 0.08156(7) 0.0283(3) Uani 1 1 d . . . . .
H11 H -0.2948 0.2498 0.0558 0.034 Uiso 1 1 calc R U . . .
C7 C -0.20404(11) 0.25724(15) 0.15766(7) 0.0265(3) Uani 1 1 d . . . . .
H12 H -0.2689 0.2322 0.1826 0.032 Uiso 1 1 calc R U . . .
C6 C 0.27076(11) 0.35455(14) 0.31962(7) 0.0254(3) Uani 1 1 d . . . . .
C14 C 0.30283(11) 0.46263(15) 0.37009(7) 0.0294(3) Uani 1 1 d . . . . .
H14 H 0.2455 0.5291 0.3821 0.035 Uiso 1 1 calc R U . . .
C15 C 0.41753(12) 0.47421(16) 0.40288(8) 0.0342(3) Uani 1 1 d . . . . .
H15 H 0.4382 0.5496 0.4362 0.041 Uiso 1 1 calc R U . . .
C16 C 0.50135(12) 0.37684(18) 0.38731(8) 0.0362(3) Uani 1 1 d . . . . .
H16 H 0.5795 0.3850 0.4100 0.043 Uiso 1 1 calc R U . . .
C17 C 0.47155(12) 0.26744(18) 0.33867(8) 0.0370(3) Uani 1 1 d . . . . .
H17 H 0.5289 0.1992 0.3286 0.044 Uiso 1 1 calc R U . . .
C18 C 0.35781(11) 0.25724(16) 0.30449(8) 0.0309(3) Uani 1 1 d . . . . .
H18 H 0.3386 0.1830 0.2702 0.037 Uiso 1 1 calc R U . . .
B1 B 0.14374(12) 0.33858(15) 0.28026(7) 0.0228(3) Uani 1 1 d . . . . .
B2 B -0.00445(12) 0.12794(15) 0.31641(8) 0.0242(3) Uani 1 1 d . . . . .
H2 H 0.0399 0.0456 0.2852 0.029 Uiso 1 1 d R U . . .
B3 B 0.06062(12) 0.19652(17) 0.40098(7) 0.0264(3) Uani 1 1 d . . . . .
H3 H 0.1483 0.1580 0.4260 0.032 Uiso 1 1 d R U . . .
B4 B 0.01748(13) 0.37789(17) 0.40794(8) 0.0269(3) Uani 1 1 d . . . . .
H4 H 0.0770 0.4589 0.4374 0.032 Uiso 1 1 d R U . . .
B5 B -0.07441(12) 0.42425(16) 0.32766(7) 0.0239(3) Uani 1 1 d . . . . .
H5 H -0.0757 0.5345 0.3039 0.029 Uiso 1 1 d R U . . .
B6 B -0.06624(13) 0.08735(17) 0.39710(8) 0.0293(3) Uani 1 1 d . . . . .
H9A H -0.0634 -0.0236 0.4201 0.035 Uiso 1 1 d R U . . .
B7 B -0.05310(13) 0.24230(18) 0.45391(8) 0.0301(3) Uani 1 1 d . . . . .
H101 H -0.0414 0.2343 0.5144 0.036 Uiso 1 1 d R U . . .
B8 B -0.13675(13) 0.38342(18) 0.40838(8) 0.0288(3) Uani 1 1 d . . . . .
H103 H -0.1812 0.4673 0.4386 0.035 Uiso 1 1 d R U . . .
B9 B -0.20187(12) 0.31498(17) 0.32427(7) 0.0253(3) Uani 1 1 d . . . . .
H9 H -0.2889 0.3544 0.2985 0.030 Uiso 1 1 d R U . . .
B10 B -0.15890(12) 0.13335(16) 0.31709(8) 0.0252(3) Uani 1 1 d . . . . .
H13A H -0.2170 0.0531 0.2860 0.030 Uiso 1 1 d R U . . .
B11 B -0.18892(13) 0.20317(18) 0.40158(8) 0.0293(3) Uani 1 1 d . . . . .
H105 H -0.2676 0.1673 0.4273 0.035 Uiso 1 1 d 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
C5 C13 1.3901(17) . ?
C5 C4 1.4412(16) . ?
C5 B1 1.5367(18) . ?
C4 C3 1.4263(16) . ?
C4 C10 1.4282(16) . ?
C3 C7 1.3756(16) . ?
C3 C2 1.4975(16) . ?
C2 C1 1.6624(16) . ?
C2 B9 1.7072(18) . ?
C2 B10 1.7118(18) . ?
C2 B5 1.7266(18) . ?
C2 B2 1.7325(18) . ?
C1 B1 1.5728(17) . ?
C1 B4 1.7172(18) . ?
C1 B3 1.7191(18) . ?
C1 B5 1.7237(18) . ?
C1 B2 1.7299(19) . ?
C13 C12 1.4045(19) . ?
C13 H6 0.9500 . ?
C12 C11 1.3655(19) . ?
C12 H7 0.9500 . ?
C11 C10 1.4151(17) . ?
C11 H8 0.9500 . ?
C10 C9 1.4160(17) . ?
C9 C8 1.3629(19) . ?
C9 H10 0.9500 . ?
C8 C7 1.4084(17) . ?
C8 H11 0.9500 . ?
C7 H12 0.9500 . ?
C6 C14 1.3985(19) . ?
C6 C18 1.4027(19) . ?
C6 B1 1.5629(17) . ?
C14 C15 1.3914(18) . ?
C14 H14 0.9500 . ?
C15 C16 1.378(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.3893(18) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
B2 B6 1.770(2) . ?
B2 B10 1.775(2) . ?
B2 B3 1.781(2) . ?
B2 H2 1.1200 . ?
B3 B6 1.773(2) . ?
B3 B7 1.773(2) . ?
B3 B4 1.774(2) . ?
B3 H3 1.1200 . ?
B4 B8 1.772(2) . ?
B4 B7 1.774(2) . ?
B4 B5 1.7803(19) . ?
B4 H4 1.1200 . ?
B5 B8 1.775(2) . ?
B5 B9 1.779(2) . ?
B5 H5 1.1199 . ?
B6 B10 1.780(2) . ?
B6 B11 1.785(2) . ?
B6 B7 1.788(2) . ?
B6 H9A 1.1201 . ?
B7 B11 1.780(2) . ?
B7 B8 1.787(2) . ?
B7 H101 1.1200 . ?
B8 B9 1.774(2) . ?
B8 B11 1.787(2) . ?
B8 H103 1.1199 . ?
B9 B11 1.768(2) . ?
B9 B10 1.776(2) . ?
B9 H9 1.1200 . ?
B10 B11 1.769(2) . ?
B10 H13A 1.1200 . ?
B11 H105 1.1201 . ?

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
C13 C5 C4 118.35(11) . . ?
C13 C5 B1 118.88(11) . . ?
C4 C5 B1 122.77(11) . . ?
C3 C4 C10 117.62(11) . . ?
C3 C4 C5 123.31(10) . . ?
C10 C4 C5 119.06(11) . . ?
C7 C3 C4 120.05(11) . . ?
C7 C3 C2 118.12(10) . . ?
C4 C3 C2 121.82(10) . . ?
C3 C2 C1 118.69(9) . . ?
C3 C2 B9 121.09(10) . . ?
C1 C2 B9 110.61(9) . . ?
C3 C2 B10 120.78(10) . . ?
C1 C2 B10 110.61(9) . . ?
B9 C2 B10 62.60(8) . . ?
C3 C2 B5 117.29(10) . . ?
C1 C2 B5 61.11(7) . . ?
B9 C2 B5 62.42(8) . . ?
B10 C2 B5 114.05(9) . . ?
C3 C2 B2 117.17(10) . . ?
C1 C2 B2 61.23(7) . . ?
B9 C2 B2 113.61(9) . . ?
B10 C2 B2 62.05(8) . . ?
B5 C2 B2 113.70(9) . . ?
B1 C1 C2 115.31(9) . . ?
B1 C1 B4 126.55(10) . . ?
C2 C1 B4 110.58(9) . . ?
B1 C1 B3 120.63(10) . . ?
C2 C1 B3 110.63(9) . . ?
B4 C1 B3 62.16(8) . . ?
B1 C1 B5 120.38(10) . . ?
C2 C1 B5 61.29(7) . . ?
B4 C1 B5 62.32(8) . . ?
B3 C1 B5 113.69(9) . . ?
B1 C1 B2 111.67(10) . . ?
C2 C1 B2 61.38(7) . . ?
B4 C1 B2 113.48(10) . . ?
B3 C1 B2 62.18(8) . . ?
B5 C1 B2 113.98(9) . . ?
C5 C13 C12 122.39(12) . . ?
C5 C13 H6 118.8 . . ?
C12 C13 H6 118.8 . . ?
C11 C12 C13 119.42(12) . . ?
C11 C12 H7 120.3 . . ?
C13 C12 H7 120.3 . . ?
C12 C11 C10 121.51(12) . . ?
C12 C11 H8 119.2 . . ?
C10 C11 H8 119.2 . . ?
C11 C10 C9 120.27(11) . . ?
C11 C10 C4 119.26(11) . . ?
C9 C10 C4 120.46(11) . . ?
C8 C9 C10 120.42(11) . . ?
C8 C9 H10 119.8 . . ?
C10 C9 H10 119.8 . . ?
C9 C8 C7 119.74(11) . . ?
C9 C8 H11 120.1 . . ?
C7 C8 H11 120.1 . . ?
C3 C7 C8 121.71(12) . . ?
C3 C7 H12 119.1 . . ?
C8 C7 H12 119.1 . . ?
C14 C6 C18 117.55(12) . . ?
C14 C6 B1 122.93(12) . . ?
C18 C6 B1 119.52(11) . . ?
C15 C14 C6 120.94(13) . . ?
C15 C14 H14 119.5 . . ?
C6 C14 H14 119.5 . . ?
C16 C15 C14 120.36(13) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 119.89(12) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C18 120.02(14) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C6 121.21(13) . . ?
C17 C18 H18 119.4 . . ?
C6 C18 H18 119.4 . . ?
C5 B1 C6 122.41(11) . . ?
C5 B1 C1 117.91(10) . . ?
C6 B1 C1 119.58(11) . . ?
C1 B2 C2 57.39(7) . . ?
C1 B2 B6 105.05(10) . . ?
C2 B2 B6 105.06(10) . . ?
C1 B2 B10 104.65(9) . . ?
C2 B2 B10 58.40(7) . . ?
B6 B2 B10 60.27(8) . . ?
C1 B2 B3 58.61(8) . . ?
C2 B2 B3 104.64(10) . . ?
B6 B2 B3 59.89(8) . . ?
B10 B2 B3 107.66(10) . . ?
C1 B2 H2 124.3 . . ?
C2 B2 H2 124.5 . . ?
B6 B2 H2 122.7 . . ?
B10 B2 H2 122.4 . . ?
B3 B2 H2 122.3 . . ?
C1 B3 B6 105.41(9) . . ?
C1 B3 B7 105.32(10) . . ?
B6 B3 B7 60.55(9) . . ?
C1 B3 B4 58.87(8) . . ?
B6 B3 B4 108.51(10) . . ?
B7 B3 B4 60.01(9) . . ?
C1 B3 B2 59.21(7) . . ?
B6 B3 B2 59.75(8) . . ?
B7 B3 B2 108.31(10) . . ?
B4 B3 B2 108.37(9) . . ?
C1 B3 H3 124.3 . . ?
B6 B3 H3 121.9 . . ?
B7 B3 H3 122.1 . . ?
B4 B3 H3 121.5 . . ?
B2 B3 H3 121.3 . . ?
C1 B4 B8 105.29(10) . . ?
C1 B4 B7 105.37(11) . . ?
B8 B4 B7 60.51(9) . . ?
C1 B4 B3 58.97(8) . . ?
B8 B4 B3 108.39(11) . . ?
B7 B4 B3 59.97(9) . . ?
C1 B4 B5 59.02(7) . . ?
B8 B4 B5 59.93(8) . . ?
B7 B4 B5 108.50(10) . . ?
B3 B4 B5 108.37(10) . . ?
C1 B4 H4 124.0 . . ?
B8 B4 H4 122.2 . . ?
B7 B4 H4 122.3 . . ?
B3 B4 H4 121.4 . . ?
B5 B4 H4 121.0 . . ?
C1 B5 C2 57.61(7) . . ?
C1 B5 B8 104.92(10) . . ?
C2 B5 B8 104.75(10) . . ?
C1 B5 B9 104.53(10) . . ?
C2 B5 B9 58.26(7) . . ?
B8 B5 B9 59.87(8) . . ?
C1 B5 B4 58.66(7) . . ?
C2 B5 B4 104.78(10) . . ?
B8 B5 B4 59.81(8) . . ?
B9 B5 B4 107.29(10) . . ?
C1 B5 H5 124.3 . . ?
C2 B5 H5 124.5 . . ?
B8 B5 H5 122.9 . . ?
B9 B5 H5 122.7 . . ?
B4 B5 H5 122.3 . . ?
B2 B6 B3 60.35(8) . . ?
B2 B6 B10 60.01(8) . . ?
B3 B6 B10 107.81(10) . . ?
B2 B6 B11 107.66(10) . . ?
B3 B6 B11 107.36(11) . . ?
B10 B6 B11 59.50(8) . . ?
B2 B6 B7 108.14(11) . . ?
B3 B6 B7 59.74(9) . . ?
B10 B6 B7 107.47(11) . . ?
B11 B6 B7 59.75(9) . . ?
B2 B6 H9A 121.6 . . ?
B3 B6 H9A 121.9 . . ?
B10 B6 H9A 122.1 . . ?
B11 B6 H9A 122.2 . . ?
B7 B6 H9A 121.8 . . ?
B3 B7 B4 60.02(8) . . ?
B3 B7 B11 107.59(10) . . ?
B4 B7 B11 107.66(10) . . ?
B3 B7 B8 107.80(10) . . ?
B4 B7 B8 59.71(9) . . ?
B11 B7 B8 60.13(9) . . ?
B3 B7 B6 59.72(9) . . ?
B4 B7 B6 107.86(10) . . ?
B11 B7 B6 60.06(9) . . ?
B8 B7 B6 108.24(10) . . ?
B3 B7 H101 121.9 . . ?
B4 B7 H101 121.4 . . ?
B11 B7 H101 122.2 . . ?
B8 B7 H101 121.5 . . ?
B6 B7 H101 122.1 . . ?
B4 B8 B9 107.90(10) . . ?
B4 B8 B5 60.26(8) . . ?
B9 B8 B5 60.20(8) . . ?
B4 B8 B7 59.78(8) . . ?
B9 B8 B7 107.56(11) . . ?
B5 B8 B7 108.18(10) . . ?
B4 B8 B11 107.41(11) . . ?
B9 B8 B11 59.56(8) . . ?
B5 B8 B11 107.86(10) . . ?
B7 B8 B11 59.75(9) . . ?
B4 B8 H103 122.3 . . ?
B9 B8 H103 121.6 . . ?
B5 B8 H103 121.5 . . ?
B7 B8 H103 122.0 . . ?
B11 B8 H103 121.8 . . ?
C2 B9 B11 105.27(10) . . ?
C2 B9 B8 105.61(9) . . ?
B11 B9 B8 60.59(9) . . ?
C2 B9 B10 58.83(8) . . ?
B11 B9 B10 59.88(9) . . ?
B8 B9 B10 108.51(10) . . ?
C2 B9 B5 59.32(7) . . ?
B11 B9 B5 108.46(10) . . ?
B8 B9 B5 59.93(8) . . ?
B10 B9 B5 108.44(9) . . ?
C2 B9 H9 124.4 . . ?
B11 B9 H9 122.0 . . ?
B8 B9 H9 121.7 . . ?
B10 B9 H9 121.6 . . ?
B5 B9 H9 121.1 . . ?
C2 B10 B11 105.04(10) . . ?
C2 B10 B2 59.55(7) . . ?
B11 B10 B2 108.16(10) . . ?
C2 B10 B9 58.57(7) . . ?
B11 B10 B9 59.85(8) . . ?
B2 B10 B9 108.29(10) . . ?
C2 B10 B6 105.52(10) . . ?
B11 B10 B6 60.40(8) . . ?
B2 B10 B6 59.73(8) . . ?
B9 B10 B6 108.23(10) . . ?
C2 B10 H13A 123.8 . . ?
B11 B10 H13A 122.7 . . ?
B2 B10 H13A 121.0 . . ?
B9 B10 H13A 121.6 . . ?
B6 B10 H13A 122.3 . . ?
B9 B11 B10 60.28(8) . . ?
B9 B11 B7 108.08(11) . . ?
B10 B11 B7 108.29(10) . . ?
B9 B11 B6 108.33(10) . . ?
B10 B11 B6 60.10(8) . . ?
B7 B11 B6 60.18(9) . . ?
B9 B11 B8 59.85(8) . . ?
B10 B11 B8 108.23(10) . . ?
B7 B11 B8 60.12(9) . . ?
B6 B11 B8 108.33(10) . . ?
B9 B11 H105 121.7 . . ?
B10 B11 H105 121.1 . . ?
B7 B11 H105 121.8 . . ?
B6 B11 H105 121.2 . . ?
B8 B11 H105 122.1 . . ?

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
C13 C5 C4 C3 179.06(12) . . . . ?
B1 C5 C4 C3 -1.64(19) . . . . ?
C13 C5 C4 C10 0.21(18) . . . . ?
B1 C5 C4 C10 179.51(11) . . . . ?
C10 C4 C3 C7 -0.13(18) . . . . ?
C5 C4 C3 C7 -179.00(12) . . . . ?
C10 C4 C3 C2 179.80(11) . . . . ?
C5 C4 C3 C2 0.93(19) . . . . ?
C7 C3 C2 C1 -177.53(11) . . . . ?
C4 C3 C2 C1 2.54(17) . . . . ?
C7 C3 C2 B9 -34.55(17) . . . . ?
C4 C3 C2 B9 145.52(12) . . . . ?
C7 C3 C2 B10 40.00(16) . . . . ?
C4 C3 C2 B10 -139.93(12) . . . . ?
C7 C3 C2 B5 -107.25(13) . . . . ?
C4 C3 C2 B5 72.82(14) . . . . ?
C7 C3 C2 B2 112.09(13) . . . . ?
C4 C3 C2 B2 -67.84(15) . . . . ?
C3 C2 C1 B1 -5.10(15) . . . . ?
B9 C2 C1 B1 -151.68(10) . . . . ?
B10 C2 C1 B1 140.90(11) . . . . ?
B5 C2 C1 B1 -112.26(11) . . . . ?
B2 C2 C1 B1 101.96(11) . . . . ?
C3 C2 C1 B4 146.67(11) . . . . ?
B9 C2 C1 B4 0.10(13) . . . . ?
B10 C2 C1 B4 -67.33(12) . . . . ?
B5 C2 C1 B4 39.51(10) . . . . ?
B2 C2 C1 B4 -106.27(11) . . . . ?
C3 C2 C1 B3 -146.39(11) . . . . ?
B9 C2 C1 B3 67.03(12) . . . . ?
B10 C2 C1 B3 -0.39(13) . . . . ?
B5 C2 C1 B3 106.45(10) . . . . ?
B2 C2 C1 B3 -39.33(9) . . . . ?
C3 C2 C1 B5 107.16(12) . . . . ?
B9 C2 C1 B5 -39.42(9) . . . . ?
B10 C2 C1 B5 -106.84(10) . . . . ?
B2 C2 C1 B5 -145.78(10) . . . . ?
C3 C2 C1 B2 -107.06(12) . . . . ?
B9 C2 C1 B2 106.36(10) . . . . ?
B10 C2 C1 B2 38.94(9) . . . . ?
B5 C2 C1 B2 145.78(10) . . . . ?
C4 C5 C13 C12 -1.1(2) . . . . ?
B1 C5 C13 C12 179.58(12) . . . . ?
C5 C13 C12 C11 1.3(2) . . . . ?
C13 C12 C11 C10 -0.6(2) . . . . ?
C12 C11 C10 C9 -178.75(13) . . . . ?
C12 C11 C10 C4 -0.3(2) . . . . ?
C3 C4 C10 C11 -178.47(11) . . . . ?
C5 C4 C10 C11 0.45(18) . . . . ?
C3 C4 C10 C9 0.01(18) . . . . ?
C5 C4 C10 C9 178.93(11) . . . . ?
C11 C10 C9 C8 178.57(13) . . . . ?
C4 C10 C9 C8 0.1(2) . . . . ?
C10 C9 C8 C7 -0.1(2) . . . . ?
C4 C3 C7 C8 0.1(2) . . . . ?
C2 C3 C7 C8 -179.80(12) . . . . ?
C9 C8 C7 C3 0.0(2) . . . . ?
C18 C6 C14 C15 1.2(2) . . . . ?
B1 C6 C14 C15 -178.88(12) . . . . ?
C6 C14 C15 C16 -1.5(2) . . . . ?
C14 C15 C16 C17 0.3(2) . . . . ?
C15 C16 C17 C18 1.2(2) . . . . ?
C16 C17 C18 C6 -1.5(2) . . . . ?
C14 C6 C18 C17 0.3(2) . . . . ?
B1 C6 C18 C17 -179.63(13) . . . . ?
C13 C5 B1 C6 -5.68(19) . . . . ?
C4 C5 B1 C6 175.02(11) . . . . ?
C13 C5 B1 C1 177.95(12) . . . . ?
C4 C5 B1 C1 -1.35(18) . . . . ?
C14 C6 B1 C5 120.12(14) . . . . ?
C18 C6 B1 C5 -59.91(18) . . . . ?
C14 C6 B1 C1 -63.57(17) . . . . ?
C18 C6 B1 C1 116.40(14) . . . . ?
C2 C1 B1 C5 4.43(16) . . . . ?
B4 C1 B1 C5 -142.12(12) . . . . ?
B3 C1 B1 C5 141.57(12) . . . . ?
B5 C1 B1 C5 -65.76(15) . . . . ?
B2 C1 B1 C5 71.96(13) . . . . ?
C2 C1 B1 C6 -172.04(10) . . . . ?
B4 C1 B1 C6 41.40(18) . . . . ?
B3 C1 B1 C6 -34.91(17) . . . . ?
B5 C1 B1 C6 117.76(12) . . . . ?
B2 C1 B1 C6 -104.51(12) . . . . ?
B1 C1 B2 C2 -107.89(10) . . . . ?
B4 C1 B2 C2 101.50(10) . . . . ?
B3 C1 B2 C2 137.88(10) . . . . ?
B5 C1 B2 C2 32.67(9) . . . . ?
B1 C1 B2 B6 153.64(10) . . . . ?
C2 C1 B2 B6 -98.47(10) . . . . ?
B4 C1 B2 B6 3.04(12) . . . . ?
B3 C1 B2 B6 39.42(9) . . . . ?
B5 C1 B2 B6 -65.79(11) . . . . ?
B1 C1 B2 B10 -143.79(10) . . . . ?
C2 C1 B2 B10 -35.89(8) . . . . ?
B4 C1 B2 B10 65.61(11) . . . . ?
B3 C1 B2 B10 101.99(10) . . . . ?
B5 C1 B2 B10 -3.22(12) . . . . ?
B1 C1 B2 B3 114.22(11) . . . . ?
C2 C1 B2 B3 -137.88(10) . . . . ?
B4 C1 B2 B3 -36.38(9) . . . . ?
B5 C1 B2 B3 -105.21(10) . . . . ?
C3 C2 B2 C1 109.49(11) . . . . ?
B9 C2 B2 C1 -101.44(10) . . . . ?
B10 C2 B2 C1 -138.25(10) . . . . ?
B5 C2 B2 C1 -32.53(9) . . . . ?
C3 C2 B2 B6 -152.04(10) . . . . ?
C1 C2 B2 B6 98.46(10) . . . . ?
B9 C2 B2 B6 -2.97(13) . . . . ?
B10 C2 B2 B6 -39.78(9) . . . . ?
B5 C2 B2 B6 65.93(12) . . . . ?
C3 C2 B2 B10 -112.26(11) . . . . ?
C1 C2 B2 B10 138.25(10) . . . . ?
B9 C2 B2 B10 36.81(10) . . . . ?
B5 C2 B2 B10 105.72(10) . . . . ?
C3 C2 B2 B3 145.77(10) . . . . ?
C1 C2 B2 B3 36.28(9) . . . . ?
B9 C2 B2 B3 -65.16(12) . . . . ?
B10 C2 B2 B3 -101.97(10) . . . . ?
B5 C2 B2 B3 3.75(13) . . . . ?
B1 C1 B3 B6 -139.37(11) . . . . ?
C2 C1 B3 B6 -0.45(13) . . . . ?
B4 C1 B3 B6 102.60(11) . . . . ?
B5 C1 B3 B6 66.26(13) . . . . ?
B2 C1 B3 B6 -39.43(9) . . . . ?
B1 C1 B3 B7 157.59(11) . . . . ?
C2 C1 B3 B7 -63.49(12) . . . . ?
B4 C1 B3 B7 39.56(10) . . . . ?
B5 C1 B3 B7 3.22(14) . . . . ?
B2 C1 B3 B7 -102.47(11) . . . . ?
B1 C1 B3 B4 118.03(12) . . . . ?
C2 C1 B3 B4 -103.05(10) . . . . ?
B5 C1 B3 B4 -36.35(10) . . . . ?
B2 C1 B3 B4 -142.03(10) . . . . ?
B1 C1 B3 B2 -99.94(12) . . . . ?
C2 C1 B3 B2 38.98(9) . . . . ?
B4 C1 B3 B2 142.03(10) . . . . ?
B5 C1 B3 B2 105.69(10) . . . . ?
C2 B2 B3 C1 -35.72(8) . . . . ?
B6 B2 B3 C1 -134.87(10) . . . . ?
B10 B2 B3 C1 -96.70(10) . . . . ?
C1 B2 B3 B6 134.87(10) . . . . ?
C2 B2 B3 B6 99.14(10) . . . . ?
B10 B2 B3 B6 38.17(10) . . . . ?
C1 B2 B3 B7 97.28(11) . . . . ?
C2 B2 B3 B7 61.56(12) . . . . ?
B6 B2 B3 B7 -37.58(10) . . . . ?
B10 B2 B3 B7 0.58(13) . . . . ?
C1 B2 B3 B4 33.70(9) . . . . ?
C2 B2 B3 B4 -2.02(13) . . . . ?
B6 B2 B3 B4 -101.16(11) . . . . ?
B10 B2 B3 B4 -63.00(12) . . . . ?
B1 C1 B4 B8 148.44(12) . . . . ?
C2 C1 B4 B8 0.59(13) . . . . ?
B3 C1 B4 B8 -102.55(11) . . . . ?
B5 C1 B4 B8 39.65(10) . . . . ?
B2 C1 B4 B8 -66.17(12) . . . . ?
B1 C1 B4 B7 -148.57(11) . . . . ?
C2 C1 B4 B7 63.58(12) . . . . ?
B3 C1 B4 B7 -39.56(9) . . . . ?
B5 C1 B4 B7 102.64(11) . . . . ?
B2 C1 B4 B7 -3.18(13) . . . . ?
B1 C1 B4 B3 -109.01(13) . . . . ?
C2 C1 B4 B3 103.14(10) . . . . ?
B5 C1 B4 B3 142.20(10) . . . . ?
B2 C1 B4 B3 36.39(9) . . . . ?
B1 C1 B4 B5 108.79(13) . . . . ?
C2 C1 B4 B5 -39.06(9) . . . . ?
B3 C1 B4 B5 -142.20(10) . . . . ?
B2 C1 B4 B5 -105.82(10) . . . . ?
B6 B3 B4 C1 -97.19(10) . . . . ?
B7 B3 B4 C1 -134.82(10) . . . . ?
B2 B3 B4 C1 -33.84(9) . . . . ?
C1 B3 B4 B8 97.14(10) . . . . ?
B6 B3 B4 B8 -0.05(13) . . . . ?
B7 B3 B4 B8 -37.68(9) . . . . ?
B2 B3 B4 B8 63.30(12) . . . . ?
C1 B3 B4 B7 134.82(10) . . . . ?
B6 B3 B4 B7 37.63(9) . . . . ?
B2 B3 B4 B7 100.98(11) . . . . ?
C1 B3 B4 B5 33.62(9) . . . . ?
B6 B3 B4 B5 -63.57(12) . . . . ?
B7 B3 B4 B5 -101.20(11) . . . . ?
B2 B3 B4 B5 -0.22(13) . . . . ?
B1 C1 B5 C2 104.12(11) . . . . ?
B4 C1 B5 C2 -137.73(10) . . . . ?
B3 C1 B5 C2 -101.44(10) . . . . ?
B2 C1 B5 C2 -32.71(9) . . . . ?
B1 C1 B5 B8 -157.67(11) . . . . ?
C2 C1 B5 B8 98.22(10) . . . . ?
B4 C1 B5 B8 -39.51(10) . . . . ?
B3 C1 B5 B8 -3.23(13) . . . . ?
B2 C1 B5 B8 65.51(12) . . . . ?
B1 C1 B5 B9 140.21(10) . . . . ?
C2 C1 B5 B9 36.09(8) . . . . ?
B4 C1 B5 B9 -101.64(10) . . . . ?
B3 C1 B5 B9 -65.35(12) . . . . ?
B2 C1 B5 B9 3.38(12) . . . . ?
B1 C1 B5 B4 -118.16(12) . . . . ?
C2 C1 B5 B4 137.73(10) . . . . ?
B3 C1 B5 B4 36.28(10) . . . . ?
B2 C1 B5 B4 105.02(11) . . . . ?
C3 C2 B5 C1 -109.40(11) . . . . ?
B9 C2 B5 C1 137.89(10) . . . . ?
B10 C2 B5 C1 101.19(10) . . . . ?
B2 C2 B5 C1 32.57(9) . . . . ?
C3 C2 B5 B8 152.07(10) . . . . ?
C1 C2 B5 B8 -98.53(10) . . . . ?
B9 C2 B5 B8 39.36(9) . . . . ?
B10 C2 B5 B8 2.66(12) . . . . ?
B2 C2 B5 B8 -65.96(12) . . . . ?
C3 C2 B5 B9 112.71(11) . . . . ?
C1 C2 B5 B9 -137.89(10) . . . . ?
B10 C2 B5 B9 -36.70(9) . . . . ?
B2 C2 B5 B9 -105.32(10) . . . . ?
C3 C2 B5 B4 -145.86(10) . . . . ?
C1 C2 B5 B4 -36.46(9) . . . . ?
B9 C2 B5 B4 101.44(10) . . . . ?
B10 C2 B5 B4 64.74(12) . . . . ?
B2 C2 B5 B4 -3.88(13) . . . . ?
B8 B4 B5 C1 -134.67(11) . . . . ?
B7 B4 B5 C1 -97.19(11) . . . . ?
B3 B4 B5 C1 -33.60(9) . . . . ?
C1 B4 B5 C2 35.98(8) . . . . ?
B8 B4 B5 C2 -98.69(10) . . . . ?
B7 B4 B5 C2 -61.21(12) . . . . ?
B3 B4 B5 C2 2.37(12) . . . . ?
C1 B4 B5 B8 134.67(11) . . . . ?
B7 B4 B5 B8 37.48(10) . . . . ?
B3 B4 B5 B8 101.06(11) . . . . ?
C1 B4 B5 B9 96.78(10) . . . . ?
B8 B4 B5 B9 -37.88(10) . . . . ?
B7 B4 B5 B9 -0.41(13) . . . . ?
B3 B4 B5 B9 63.18(12) . . . . ?
C1 B2 B6 B3 -38.80(9) . . . . ?
C2 B2 B6 B3 -98.42(10) . . . . ?
B10 B2 B6 B3 -137.30(11) . . . . ?
C1 B2 B6 B10 98.51(10) . . . . ?
C2 B2 B6 B10 38.88(9) . . . . ?
B3 B2 B6 B10 137.30(11) . . . . ?
C1 B2 B6 B11 61.52(12) . . . . ?
C2 B2 B6 B11 1.89(13) . . . . ?
B10 B2 B6 B11 -36.99(10) . . . . ?
B3 B2 B6 B11 100.32(12) . . . . ?
C1 B2 B6 B7 -1.61(12) . . . . ?
C2 B2 B6 B7 -61.24(12) . . . . ?
B10 B2 B6 B7 -100.12(11) . . . . ?
B3 B2 B6 B7 37.19(9) . . . . ?
C1 B3 B6 B2 39.17(9) . . . . ?
B7 B3 B6 B2 138.32(10) . . . . ?
B4 B3 B6 B2 100.92(10) . . . . ?
C1 B3 B6 B10 1.08(13) . . . . ?
B7 B3 B6 B10 100.23(11) . . . . ?
B4 B3 B6 B10 62.83(13) . . . . ?
B2 B3 B6 B10 -38.09(10) . . . . ?
C1 B3 B6 B11 -61.66(12) . . . . ?
B7 B3 B6 B11 37.49(9) . . . . ?
B4 B3 B6 B11 0.10(13) . . . . ?
B2 B3 B6 B11 -100.82(10) . . . . ?
C1 B3 B6 B7 -99.15(10) . . . . ?
B4 B3 B6 B7 -37.40(9) . . . . ?
B2 B3 B6 B7 -138.32(10) . . . . ?
C1 B3 B7 B4 -39.01(9) . . . . ?
B6 B3 B7 B4 -138.32(10) . . . . ?
B2 B3 B7 B4 -101.08(11) . . . . ?
C1 B3 B7 B11 61.62(13) . . . . ?
B6 B3 B7 B11 -37.69(10) . . . . ?
B4 B3 B7 B11 100.63(11) . . . . ?
B2 B3 B7 B11 -0.45(14) . . . . ?
C1 B3 B7 B8 -1.83(14) . . . . ?
B6 B3 B7 B8 -101.14(11) . . . . ?
B4 B3 B7 B8 37.18(10) . . . . ?
B2 B3 B7 B8 -63.90(13) . . . . ?
C1 B3 B7 B6 99.31(10) . . . . ?
B4 B3 B7 B6 138.32(10) . . . . ?
B2 B3 B7 B6 37.24(10) . . . . ?
C1 B4 B7 B3 39.08(9) . . . . ?
B8 B4 B7 B3 138.21(10) . . . . ?
B5 B4 B7 B3 100.98(11) . . . . ?
C1 B4 B7 B11 -61.44(13) . . . . ?
B8 B4 B7 B11 37.70(10) . . . . ?
B3 B4 B7 B11 -100.51(11) . . . . ?
B5 B4 B7 B11 0.47(14) . . . . ?
C1 B4 B7 B8 -99.13(10) . . . . ?
B3 B4 B7 B8 -138.21(10) . . . . ?
B5 B4 B7 B8 -37.23(10) . . . . ?
C1 B4 B7 B6 1.97(13) . . . . ?
B8 B4 B7 B6 101.10(11) . . . . ?
B3 B4 B7 B6 -37.11(9) . . . . ?
B5 B4 B7 B6 63.88(13) . . . . ?
B2 B6 B7 B3 -37.46(9) . . . . ?
B10 B6 B7 B3 -100.82(11) . . . . ?
B11 B6 B7 B3 -137.74(10) . . . . ?
B2 B6 B7 B4 -0.22(13) . . . . ?
B3 B6 B7 B4 37.24(9) . . . . ?
B10 B6 B7 B4 -63.58(12) . . . . ?
B11 B6 B7 B4 -100.50(11) . . . . ?
B2 B6 B7 B11 100.28(11) . . . . ?
B3 B6 B7 B11 137.74(10) . . . . ?
B10 B6 B7 B11 36.92(9) . . . . ?
B2 B6 B7 B8 62.93(13) . . . . ?
B3 B6 B7 B8 100.38(11) . . . . ?
B10 B6 B7 B8 -0.44(14) . . . . ?
B11 B6 B7 B8 -37.36(10) . . . . ?
C1 B4 B8 B9 -1.03(14) . . . . ?
B7 B4 B8 B9 -100.30(12) . . . . ?
B3 B4 B8 B9 -62.85(13) . . . . ?
B5 B4 B8 B9 38.18(10) . . . . ?
C1 B4 B8 B5 -39.21(9) . . . . ?
B7 B4 B8 B5 -138.48(11) . . . . ?
B3 B4 B8 B5 -101.03(11) . . . . ?
C1 B4 B8 B7 99.27(11) . . . . ?
B3 B4 B8 B7 37.45(10) . . . . ?
B5 B4 B8 B7 138.48(11) . . . . ?
C1 B4 B8 B11 61.80(12) . . . . ?
B7 B4 B8 B11 -37.47(10) . . . . ?
B3 B4 B8 B11 -0.02(13) . . . . ?
B5 B4 B8 B11 101.01(11) . . . . ?
C1 B5 B8 B4 38.95(9) . . . . ?
C2 B5 B8 B4 98.74(10) . . . . ?
B9 B5 B8 B4 137.32(11) . . . . ?
C1 B5 B8 B9 -98.37(10) . . . . ?
C2 B5 B8 B9 -38.58(9) . . . . ?
B4 B5 B8 B9 -137.32(11) . . . . ?
C1 B5 B8 B7 1.87(13) . . . . ?
C2 B5 B8 B7 61.66(12) . . . . ?
B9 B5 B8 B7 100.24(12) . . . . ?
B4 B5 B8 B7 -37.08(10) . . . . ?
C1 B5 B8 B11 -61.30(12) . . . . ?
C2 B5 B8 B11 -1.51(12) . . . . ?
B9 B5 B8 B11 37.07(9) . . . . ?
B4 B5 B8 B11 -100.25(11) . . . . ?
B3 B7 B8 B4 -37.32(10) . . . . ?
B11 B7 B8 B4 -137.78(11) . . . . ?
B6 B7 B8 B4 -100.46(11) . . . . ?
B3 B7 B8 B9 63.56(13) . . . . ?
B4 B7 B8 B9 100.88(11) . . . . ?
B11 B7 B8 B9 -36.90(10) . . . . ?
B6 B7 B8 B9 0.42(14) . . . . ?
B3 B7 B8 B5 -0.03(14) . . . . ?
B4 B7 B8 B5 37.29(10) . . . . ?
B11 B7 B8 B5 -100.50(11) . . . . ?
B6 B7 B8 B5 -63.17(13) . . . . ?
B3 B7 B8 B11 100.47(11) . . . . ?
B4 B7 B8 B11 137.78(11) . . . . ?
B6 B7 B8 B11 37.33(10) . . . . ?
C3 C2 B9 B11 150.50(11) . . . . ?
C1 C2 B9 B11 -63.85(12) . . . . ?
B10 C2 B9 B11 39.37(10) . . . . ?
B5 C2 B9 B11 -102.69(11) . . . . ?
B2 C2 B9 B11 2.77(13) . . . . ?
C3 C2 B9 B8 -146.39(11) . . . . ?
C1 C2 B9 B8 -0.74(13) . . . . ?
B10 C2 B9 B8 102.48(11) . . . . ?
B5 C2 B9 B8 -39.58(9) . . . . ?
B2 C2 B9 B8 65.88(13) . . . . ?
C3 C2 B9 B10 111.13(12) . . . . ?
C1 C2 B9 B10 -103.22(10) . . . . ?
B5 C2 B9 B10 -142.06(10) . . . . ?
B2 C2 B9 B10 -36.60(9) . . . . ?
C3 C2 B9 B5 -106.81(12) . . . . ?
C1 C2 B9 B5 38.84(9) . . . . ?
B10 C2 B9 B5 142.06(10) . . . . ?
B2 C2 B9 B5 105.47(10) . . . . ?
B4 B8 B9 C2 1.08(14) . . . . ?
B5 B8 B9 C2 39.29(9) . . . . ?
B7 B8 B9 C2 -62.01(12) . . . . ?
B11 B8 B9 C2 -98.99(11) . . . . ?
B4 B8 B9 B11 100.08(11) . . . . ?
B5 B8 B9 B11 138.28(10) . . . . ?
B7 B8 B9 B11 36.98(10) . . . . ?
B4 B8 B9 B10 62.84(13) . . . . ?
B5 B8 B9 B10 101.05(10) . . . . ?
B7 B8 B9 B10 -0.25(13) . . . . ?
B11 B8 B9 B10 -37.23(9) . . . . ?
B4 B8 B9 B5 -38.21(10) . . . . ?
B7 B8 B9 B5 -101.30(11) . . . . ?
B11 B8 B9 B5 -138.28(10) . . . . ?
C1 B5 B9 C2 -35.80(8) . . . . ?
B8 B5 B9 C2 -134.84(10) . . . . ?
B4 B5 B9 C2 -96.98(10) . . . . ?
C1 B5 B9 B11 61.37(12) . . . . ?
C2 B5 B9 B11 97.17(11) . . . . ?
B8 B5 B9 B11 -37.67(10) . . . . ?
B4 B5 B9 B11 0.18(13) . . . . ?
C1 B5 B9 B8 99.04(10) . . . . ?
C2 B5 B9 B8 134.84(10) . . . . ?
B4 B5 B9 B8 37.86(10) . . . . ?
C1 B5 B9 B10 -2.12(12) . . . . ?
C2 B5 B9 B10 33.68(9) . . . . ?
B8 B5 B9 B10 -101.16(11) . . . . ?
B4 B5 B9 B10 -63.30(12) . . . . ?
C3 C2 B10 B11 -150.91(10) . . . . ?
C1 C2 B10 B11 63.91(12) . . . . ?
B9 C2 B10 B11 -39.31(9) . . . . ?
B5 C2 B10 B11 -2.67(13) . . . . ?
B2 C2 B10 B11 102.49(10) . . . . ?
C3 C2 B10 B2 106.60(12) . . . . ?
C1 C2 B10 B2 -38.58(9) . . . . ?
B9 C2 B10 B2 -141.80(10) . . . . ?
B5 C2 B10 B2 -105.16(10) . . . . ?
C3 C2 B10 B9 -111.60(12) . . . . ?
C1 C2 B10 B9 103.22(10) . . . . ?
B5 C2 B10 B9 36.63(9) . . . . ?
B2 C2 B10 B9 141.80(10) . . . . ?
C3 C2 B10 B6 146.23(11) . . . . ?
C1 C2 B10 B6 1.05(13) . . . . ?
B9 C2 B10 B6 -102.17(11) . . . . ?
B5 C2 B10 B6 -65.53(12) . . . . ?
B2 C2 B10 B6 39.63(10) . . . . ?
C1 B2 B10 C2 35.43(8) . . . . ?
B6 B2 B10 C2 134.63(11) . . . . ?
B3 B2 B10 C2 96.64(10) . . . . ?
C1 B2 B10 B11 -61.69(12) . . . . ?
C2 B2 B10 B11 -97.12(11) . . . . ?
B6 B2 B10 B11 37.51(10) . . . . ?
B3 B2 B10 B11 -0.49(13) . . . . ?
C1 B2 B10 B9 1.67(12) . . . . ?
C2 B2 B10 B9 -33.77(9) . . . . ?
B6 B2 B10 B9 100.87(11) . . . . ?
B3 B2 B10 B9 62.87(12) . . . . ?
C1 B2 B10 B6 -99.20(10) . . . . ?
C2 B2 B10 B6 -134.63(11) . . . . ?
B3 B2 B10 B6 -38.00(10) . . . . ?
B11 B9 B10 C2 -134.97(10) . . . . ?
B8 B9 B10 C2 -97.43(10) . . . . ?
B5 B9 B10 C2 -33.87(8) . . . . ?
C2 B9 B10 B11 134.97(10) . . . . ?
B8 B9 B10 B11 37.54(9) . . . . ?
B5 B9 B10 B11 101.09(10) . . . . ?
C2 B9 B10 B2 34.16(9) . . . . ?
B11 B9 B10 B2 -100.81(11) . . . . ?
B8 B9 B10 B2 -63.27(12) . . . . ?
B5 B9 B10 B2 0.28(12) . . . . ?
C2 B9 B10 B6 97.40(10) . . . . ?
B11 B9 B10 B6 -37.56(10) . . . . ?
B8 B9 B10 B6 -0.02(13) . . . . ?
B5 B9 B10 B6 63.53(12) . . . . ?
B2 B6 B10 C2 -39.54(9) . . . . ?
B3 B6 B10 C2 -1.30(13) . . . . ?
B11 B6 B10 C2 98.75(11) . . . . ?
B7 B6 B10 C2 61.71(12) . . . . ?
B2 B6 B10 B11 -138.29(11) . . . . ?
B3 B6 B10 B11 -100.04(12) . . . . ?
B7 B6 B10 B11 -37.04(10) . . . . ?
B3 B6 B10 B2 38.24(10) . . . . ?
B11 B6 B10 B2 138.29(11) . . . . ?
B7 B6 B10 B2 101.25(11) . . . . ?
B2 B6 B10 B9 -100.97(10) . . . . ?
B3 B6 B10 B9 -62.73(13) . . . . ?
B11 B6 B10 B9 37.32(10) . . . . ?
B7 B6 B10 B9 0.28(13) . . . . ?
C2 B9 B11 B10 -38.87(9) . . . . ?
B8 B9 B11 B10 -138.45(10) . . . . ?
B5 B9 B11 B10 -101.07(10) . . . . ?
C2 B9 B11 B7 62.30(13) . . . . ?
B8 B9 B11 B7 -37.28(10) . . . . ?
B10 B9 B11 B7 101.17(11) . . . . ?
B5 B9 B11 B7 0.10(14) . . . . ?
C2 B9 B11 B6 -1.41(14) . . . . ?
B8 B9 B11 B6 -100.99(11) . . . . ?
B10 B9 B11 B6 37.46(10) . . . . ?
B5 B9 B11 B6 -63.61(13) . . . . ?
C2 B9 B11 B8 99.58(10) . . . . ?
B10 B9 B11 B8 138.45(10) . . . . ?
B5 B9 B11 B8 37.38(10) . . . . ?
C2 B10 B11 B9 38.69(9) . . . . ?
B2 B10 B11 B9 101.03(10) . . . . ?
B6 B10 B11 B9 138.25(11) . . . . ?
C2 B10 B11 B7 -62.13(12) . . . . ?
B2 B10 B11 B7 0.21(14) . . . . ?
B9 B10 B11 B7 -100.82(12) . . . . ?
B6 B10 B11 B7 37.42(10) . . . . ?
C2 B10 B11 B6 -99.55(10) . . . . ?
B2 B10 B11 B6 -37.21(10) . . . . ?
B9 B10 B11 B6 -138.25(11) . . . . ?
C2 B10 B11 B8 1.54(12) . . . . ?
B2 B10 B11 B8 63.89(12) . . . . ?
B9 B10 B11 B8 -37.15(9) . . . . ?
B6 B10 B11 B8 101.10(11) . . . . ?
B3 B7 B11 B9 -63.66(14) . . . . ?
B4 B7 B11 B9 -0.35(14) . . . . ?
B8 B7 B11 B9 37.16(10) . . . . ?
B6 B7 B11 B9 -101.19(11) . . . . ?
B3 B7 B11 B10 0.15(14) . . . . ?
B4 B7 B11 B10 63.45(14) . . . . ?
B8 B7 B11 B10 100.96(11) . . . . ?
B6 B7 B11 B10 -37.39(10) . . . . ?
B3 B7 B11 B6 37.53(10) . . . . ?
B4 B7 B11 B6 100.84(11) . . . . ?
B8 B7 B11 B6 138.35(10) . . . . ?
B3 B7 B11 B8 -100.82(11) . . . . ?
B4 B7 B11 B8 -37.51(10) . . . . ?
B6 B7 B11 B8 -138.35(10) . . . . ?
B2 B6 B11 B9 -0.32(14) . . . . ?
B3 B6 B11 B9 63.29(13) . . . . ?
B10 B6 B11 B9 -37.53(10) . . . . ?
B7 B6 B11 B9 100.78(12) . . . . ?
B2 B6 B11 B10 37.21(10) . . . . ?
B3 B6 B11 B10 100.83(11) . . . . ?
B7 B6 B11 B10 138.31(11) . . . . ?
B2 B6 B11 B7 -101.10(11) . . . . ?
B3 B6 B11 B7 -37.49(9) . . . . ?
B10 B6 B11 B7 -138.31(11) . . . . ?
B2 B6 B11 B8 -63.72(13) . . . . ?
B3 B6 B11 B8 -0.11(13) . . . . ?
B10 B6 B11 B8 -100.94(11) . . . . ?
B7 B6 B11 B8 37.38(10) . . . . ?
B4 B8 B11 B9 -100.91(10) . . . . ?
B5 B8 B11 B9 -37.35(9) . . . . ?
B7 B8 B11 B9 -138.39(10) . . . . ?
B4 B8 B11 B10 -63.58(12) . . . . ?
B9 B8 B11 B10 37.34(9) . . . . ?
B5 B8 B11 B10 -0.01(13) . . . . ?
B7 B8 B11 B10 -101.06(11) . . . . ?
B4 B8 B11 B7 37.48(9) . . . . ?
B9 B8 B11 B7 138.39(10) . . . . ?
B5 B8 B11 B7 101.04(11) . . . . ?
B4 B8 B11 B6 0.08(13) . . . . ?
B9 B8 B11 B6 100.99(11) . . . . ?
B5 B8 B11 B6 63.64(12) . . . . ?
B7 B8 B11 B6 -37.40(9) . . . . ?

_refine_diff_density_max         0.367
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.044

_shelxl_version_number           2013-3


_exptl_crystal_recrystallization_method 
'vapor diffusion by dichloromethane solution into toluene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
