# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_DCE@CB3Ph6
_database_code_depnum_ccdc_archive 'CCDC 2495493'
loop_
_audit_author_name
_audit_author_address
'Sota Takemori'
;Kyoto University
Japan
;
_audit_update_record             
;
2025-10-15 deposited with the CCDC.	2025-12-15 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_DIFMN02_DCE@CB3Ph6          
;
PROBLEM: The minimum difference density is < -0.1*ZMAX*1.00
RESPONSE: due to the inclusion of solvents analyzed with geometrical restrains
;
_vrf_PLAT084_DCE@CB3Ph6          
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.40 Report
RESPONSE: due to the inclusion of solvents analyzed with geometrical restrains
;
_vrf_PLAT097_DCE@CB3Ph6          
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       1.97 eA-3
RESPONSE: due to the inclusion of solvents analyzed with geometrical restrains
;
_vrf_PLAT098_DCE@CB3Ph6          
;
PROBLEM: Large Reported Min.  (Negative) Residual Density      -1.80 eA-3
RESPONSE: due to the inclusion of solvents analyzed with geometrical restrains
;
# Added during the CSD deposition process: Wednesday 15 October 2025 07:08 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H58 B30 Cl2'
_chemical_formula_weight         982.10

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 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+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   7.2450(12)
_cell_length_b                   31.353(5)
_cell_length_c                   23.751(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.880(3)
_cell_angle_gamma                90
_cell_volume                     5392.1(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    7591
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_F_000             2024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.385
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.045
_exptl_absorpt_coefficient_mu    0.156
_shelx_estimated_absorpt_T_min   0.943
_shelx_estimated_absorpt_T_max   0.993
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'REQAB; Rigaku, 1998'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            21828
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.038
_diffrn_reflns_theta_max         27.460
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             6058
_reflns_number_gt                4731
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         6058
_refine_ls_number_parameters     332
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.1374
_refine_ls_R_factor_gt           0.1211
_refine_ls_wR_factor_ref         0.3971
_refine_ls_wR_factor_gt          0.3743
_refine_ls_goodness_of_fit_ref   1.586
_refine_ls_restrained_S_all      43.858
_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
C6 C 1.0268(5) 0.66037(11) 0.67315(13) 0.0275(8) Uani 1 1 d . . . . .
H6 H 1.150363 0.668495 0.673963 0.033 Uiso 1 1 calc R U . . .
C7 C 0.6322(4) 0.65332(9) 0.56504(12) 0.0175(7) Uani 1 1 d . . . . .
C8 C 0.5781(4) 0.60817(9) 0.52728(12) 0.0174(7) Uani 1 1 d . . . . .
C9 C 0.6337(5) 0.56540(9) 0.55248(13) 0.0218(7) Uani 1 1 d . . . . .
C10 C 0.8180(5) 0.55245(11) 0.55660(16) 0.0299(8) Uani 1 1 d . . . . .
H10 H 0.909561 0.569815 0.542389 0.036 Uiso 1 1 calc R U . . .
C11 C 0.8658(6) 0.51384(11) 0.58175(17) 0.0337(9) Uani 1 1 d . . . . .
H11 H 0.989046 0.505538 0.583933 0.040 Uiso 1 1 calc R U . . .
C12 C 0.7319(5) 0.48743(10) 0.60369(13) 0.0229(8) Uani 1 1 d . . . . .
C13 C 0.5477(5) 0.49994(10) 0.59769(14) 0.0258(8) Uani 1 1 d . . . . .
H13 H 0.455422 0.482198 0.610641 0.031 Uiso 1 1 calc R U . . .
C14 C 0.5002(5) 0.53891(10) 0.57238(14) 0.0261(8) Uani 1 1 d . . . . .
H14 H 0.376730 0.546915 0.569038 0.031 Uiso 1 1 calc R U . . .
C15 C 0.7850(5) 0.44710(10) 0.63340(13) 0.0218(7) Uani 1 1 d . . . . .
C16 C 0.6800(5) 0.43180(10) 0.67763(14) 0.0266(8) Uani 1 1 d . . . . .
H16 H 0.574486 0.446464 0.687728 0.032 Uiso 1 1 calc R U . . .
C17 C 0.7320(5) 0.39487(10) 0.70661(14) 0.0239(7) Uani 1 1 d . . . . .
H17 H 0.662265 0.385379 0.736314 0.029 Uiso 1 1 calc R U . . .
C18 C 0.8885(4) 0.37193(9) 0.69138(12) 0.0189(7) Uani 1 1 d . . . . .
C19 C 0.9922(5) 0.38716(10) 0.64780(13) 0.0222(7) Uani 1 1 d . . . . .
H19 H 1.097033 0.372376 0.637430 0.027 Uiso 1 1 calc R U . . .
C20 C 0.9411(5) 0.42446(10) 0.61921(14) 0.0253(8) Uani 1 1 d . . . . .
H20 H 1.013007 0.434273 0.590178 0.030 Uiso 1 1 calc R U . . .
C21 C 0.9372(5) 0.33000(9) 0.71905(12) 0.0180(7) Uani 1 1 d . . . . .
C2 C 0.7600(5) 0.63574(11) 0.72009(13) 0.0278(8) Uani 1 1 d . . . . .
H2 H 0.702689 0.627289 0.752725 0.033 Uiso 1 1 calc R U . . .
B1 B 0.4071(5) 0.63581(11) 0.55996(14) 0.0175(7) Uani 1 1 d . . . . .
H1 H 0.333123 0.623095 0.596026 0.021 Uiso 1 1 calc R U . . .
B2 B 0.7484(5) 0.64114(10) 0.50442(14) 0.0172(7) Uani 1 1 d . . . . .
H2A H 0.894904 0.631914 0.504773 0.021 Uiso 1 1 calc R U . . .
B3 B 0.4626(5) 0.69096(11) 0.55426(14) 0.0193(8) Uani 1 1 d . . . . .
H3A H 0.423159 0.714394 0.586162 0.023 Uiso 1 1 calc R U . . .
B4 B 0.6766(5) 0.69411(11) 0.51944(14) 0.0191(8) Uani 1 1 d . . . . .
H4 H 0.776794 0.719695 0.528821 0.023 Uiso 1 1 calc R U . . .
B5 B 0.5858(5) 0.61839(11) 0.45641(14) 0.0203(8) Uani 1 1 d . . . . .
H5A H 0.626324 0.594815 0.424814 0.024 Uiso 1 1 calc R U . . .
B6 B 0.3732(5) 0.61486(11) 0.49112(14) 0.0215(8) Uani 1 1 d . . . . .
H6A H 0.274967 0.588794 0.482136 0.026 Uiso 1 1 calc R U . . .
B7 B 0.2977(5) 0.66753(11) 0.50671(14) 0.0200(8) Uani 1 1 d . . . . .
H7 H 0.150352 0.675893 0.507738 0.024 Uiso 1 1 calc R U . . .
B8 B 0.6439(5) 0.67290(11) 0.45066(14) 0.0211(8) Uani 1 1 d . . . . .
H8 H 0.722445 0.684959 0.415145 0.025 Uiso 1 1 calc R U . . .
B9 B 0.4654(5) 0.70377(11) 0.48096(15) 0.0219(8) Uani 1 1 d . . . . .
H9 H 0.427388 0.735629 0.465051 0.026 Uiso 1 1 calc R U . . .
B10 B 0.4092(6) 0.65657(12) 0.44212(15) 0.0232(8) Uani 1 1 d . . . . .
H10A H 0.334169 0.657915 0.401145 0.028 Uiso 1 1 calc R U . . .
B11 B 1.1687(5) 0.31524(11) 0.71928(14) 0.0195(8) Uani 1 1 d . . . . .
H11A H 1.276884 0.334126 0.699507 0.023 Uiso 1 1 calc R U . . .
B12 B 0.7886(6) 0.28732(11) 0.71637(14) 0.0207(8) Uani 1 1 d . . . . .
H12 H 0.652509 0.287719 0.694435 0.025 Uiso 1 1 calc R U . . .
B13 B 0.9981(6) 0.28733(11) 0.67870(15) 0.0216(8) Uani 1 1 d . . . . .
H13A H 0.996454 0.287706 0.632371 0.026 Uiso 1 1 calc R U . . .
B14 B 1.1698(6) 0.25902(12) 0.71914(15) 0.0238(8) Uani 1 1 d . . . . .
H14A H 1.279336 0.240705 0.699132 0.029 Uiso 1 1 calc R U . . .
B15 B 0.9344(6) 0.24159(11) 0.71809(15) 0.0249(9) Uani 1 1 d . . . . .
H15 H 0.891660 0.211638 0.697385 0.030 Uiso 1 1 calc R U . . .
C1 C 0.9444(5) 0.64739(10) 0.72324(12) 0.0203(7) Uani 1 1 d . . . . .
C3 C 0.6579(5) 0.63633(11) 0.66918(13) 0.0254(8) Uani 1 1 d . . . . .
H3 H 0.534924 0.627790 0.668148 0.031 Uiso 1 1 calc R U . . .
C4 C 0.7399(4) 0.64969(9) 0.61996(12) 0.0170(7) Uani 1 1 d . . . . .
C5 C 0.9248(5) 0.66114(11) 0.62236(13) 0.0264(8) Uani 1 1 d . . . . .
H5 H 0.981635 0.669460 0.589581 0.032 Uiso 1 1 calc R U . . .
Cl1 Cl 0.2522(4) 0.52396(7) 0.70479(10) 0.1071(7) Uiso 1 1 d D . . . .
C22 C 0.0087(4) 0.5263(3) 0.7151(3) 0.1071(7) Uiso 1 1 d D . . . .
H22A H -0.044190 0.552081 0.698747 0.129 Uiso 1 1 calc R U . . .
H22B H -0.053450 0.501767 0.698440 0.129 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
C6 C5 1.394(4) . ?
C6 C1 1.409(5) . ?
C7 C4 1.502(4) . ?
C7 B4 1.713(5) . ?
C7 C8 1.714(4) . ?
C7 B3 1.717(5) . ?
C7 B1 1.721(5) . ?
C7 B2 1.734(5) . ?
C8 C9 1.518(4) . ?
C8 B6 1.704(5) . ?
C8 B2 1.712(5) . ?
C8 B5 1.716(4) . ?
C8 B1 1.718(5) . ?
C9 C14 1.371(5) . ?
C9 C10 1.396(5) . ?
C10 C11 1.389(5) . ?
C11 C12 1.389(5) . ?
C12 C13 1.394(5) . ?
C12 C15 1.492(4) . ?
C13 C14 1.400(4) . ?
C15 C20 1.386(5) . ?
C15 C16 1.402(5) . ?
C16 C17 1.393(4) . ?
C17 C18 1.400(5) . ?
C18 C19 1.384(4) . ?
C18 C21 1.506(4) . ?
C19 C20 1.396(4) . ?
C21 C21 1.704(6) 2_756 ?
C21 B13 1.712(5) . ?
C21 B12 1.717(5) . ?
C21 B11 1.738(5) 2_756 ?
C21 B11 1.740(5) . ?
C2 C1 1.385(5) . ?
C2 C3 1.397(4) . ?
B1 B6 1.772(5) . ?
B1 B7 1.775(5) . ?
B1 B3 1.781(5) . ?
B2 B5 1.763(5) . ?
B2 B8 1.770(5) . ?
B2 B4 1.780(5) . ?
B3 B7 1.776(5) . ?
B3 B4 1.783(5) . ?
B3 B9 1.787(5) . ?
B4 B8 1.772(5) . ?
B4 B9 1.782(5) . ?
B5 B8 1.767(5) . ?
B5 B6 1.774(6) . ?
B5 B10 1.776(5) . ?
B6 B10 1.775(5) . ?
B6 B7 1.782(5) . ?
B7 B9 1.786(5) . ?
B7 B10 1.791(5) . ?
B8 B10 1.781(5) . ?
B8 B9 1.785(5) . ?
B9 B10 1.784(5) . ?
B11 B14 1.763(5) . ?
B11 B13 1.773(5) . ?
B11 B12 1.779(5) 2_756 ?
B12 B15 1.781(5) . ?
B12 B13 1.787(6) . ?
B12 B14 1.787(5) 2_756 ?
B13 B15 1.781(5) . ?
B13 B14 1.783(5) . ?
B14 B15 1.779(6) 2_756 ?
B14 B15 1.790(6) . ?
B15 B15 1.762(7) 2_756 ?
C1 C1 1.482(5) 2_756 ?
C3 C4 1.393(4) . ?
C4 C5 1.386(5) . ?
Cl1 C22 1.7904(11) . ?
C22 C22 1.665(16) 2_556 ?

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
C5 C6 C1 120.5(3) . . ?
C4 C7 B4 120.2(2) . . ?
C4 C7 C8 119.7(2) . . ?
B4 C7 C8 109.3(2) . . ?
C4 C7 B3 122.0(2) . . ?
B4 C7 B3 62.7(2) . . ?
C8 C7 B3 109.8(2) . . ?
C4 C7 B1 120.1(3) . . ?
B4 C7 B1 113.0(2) . . ?
C8 C7 B1 60.01(19) . . ?
B3 C7 B1 62.4(2) . . ?
C4 C7 B2 116.8(3) . . ?
B4 C7 B2 62.17(19) . . ?
C8 C7 B2 59.51(18) . . ?
B3 C7 B2 113.1(2) . . ?
B1 C7 B2 110.9(2) . . ?
C9 C8 B6 121.6(3) . . ?
C9 C8 B2 118.3(3) . . ?
B6 C8 B2 113.0(2) . . ?
C9 C8 C7 118.0(2) . . ?
B6 C8 C7 110.0(2) . . ?
B2 C8 C7 60.82(18) . . ?
C9 C8 B5 122.3(3) . . ?
B6 C8 B5 62.5(2) . . ?
B2 C8 B5 61.92(19) . . ?
C7 C8 B5 110.2(2) . . ?
C9 C8 B1 117.0(3) . . ?
B6 C8 B1 62.4(2) . . ?
B2 C8 B1 112.1(2) . . ?
C7 C8 B1 60.19(19) . . ?
B5 C8 B1 113.3(2) . . ?
C14 C9 C10 118.9(3) . . ?
C14 C9 C8 119.4(3) . . ?
C10 C9 C8 121.7(3) . . ?
C11 C10 C9 120.5(4) . . ?
C12 C11 C10 120.9(4) . . ?
C11 C12 C13 118.1(3) . . ?
C11 C12 C15 120.7(3) . . ?
C13 C12 C15 121.2(3) . . ?
C12 C13 C14 120.7(3) . . ?
C9 C14 C13 120.7(3) . . ?
C20 C15 C16 118.3(3) . . ?
C20 C15 C12 121.2(3) . . ?
C16 C15 C12 120.4(3) . . ?
C17 C16 C15 120.7(3) . . ?
C16 C17 C18 120.5(3) . . ?
C19 C18 C17 118.7(3) . . ?
C19 C18 C21 120.1(3) . . ?
C17 C18 C21 121.1(3) . . ?
C18 C19 C20 120.7(3) . . ?
C15 C20 C19 121.1(3) . . ?
C18 C21 C21 119.16(15) . 2_756 ?
C18 C21 B13 119.9(2) . . ?
C21 C21 B13 110.1(2) 2_756 . ?
C18 C21 B12 121.7(3) . . ?
C21 C21 B12 110.4(2) 2_756 . ?
B13 C21 B12 62.8(2) . . ?
C18 C21 B11 119.8(3) . 2_756 ?
C21 C21 B11 60.7(2) 2_756 2_756 ?
B13 C21 B11 113.1(2) . 2_756 ?
B12 C21 B11 62.0(2) . 2_756 ?
C18 C21 B11 116.5(3) . . ?
C21 C21 B11 60.6(2) 2_756 . ?
B13 C21 B11 61.8(2) . . ?
B12 C21 B11 113.3(2) . . ?
B11 C21 B11 112.2(2) 2_756 . ?
C1 C2 C3 121.7(3) . . ?
C8 B1 C7 59.79(19) . . ?
C8 B1 B6 58.41(19) . . ?
C7 B1 B6 106.6(3) . . ?
C8 B1 B7 105.8(2) . . ?
C7 B1 B7 105.7(2) . . ?
B6 B1 B7 60.33(19) . . ?
C8 B1 B3 106.7(3) . . ?
C7 B1 B3 58.66(19) . . ?
B6 B1 B3 108.3(2) . . ?
B7 B1 B3 59.92(19) . . ?
C8 B2 C7 59.67(18) . . ?
C8 B2 B5 59.17(19) . . ?
C7 B2 B5 107.1(3) . . ?
C8 B2 B8 105.8(2) . . ?
C7 B2 B8 105.5(2) . . ?
B5 B2 B8 60.00(19) . . ?
C8 B2 B4 106.3(3) . . ?
C7 B2 B4 58.34(19) . . ?
B5 B2 B4 108.3(2) . . ?
B8 B2 B4 59.91(19) . . ?
C7 B3 B7 105.9(2) . . ?
C7 B3 B1 58.92(19) . . ?
B7 B3 B1 59.86(19) . . ?
C7 B3 B4 58.6(2) . . ?
B7 B3 B4 107.8(2) . . ?
B1 B3 B4 106.9(2) . . ?
C7 B3 B9 105.6(2) . . ?
B7 B3 B9 60.2(2) . . ?
B1 B3 B9 107.6(2) . . ?
B4 B3 B9 59.9(2) . . ?
C7 B4 B8 106.3(2) . . ?
C7 B4 B2 59.50(19) . . ?
B8 B4 B2 59.76(19) . . ?
C7 B4 B9 106.0(2) . . ?
B8 B4 B9 60.3(2) . . ?
B2 B4 B9 107.9(2) . . ?
C7 B4 B3 58.8(2) . . ?
B8 B4 B3 108.4(2) . . ?
B2 B4 B3 107.8(2) . . ?
B9 B4 B3 60.2(2) . . ?
C8 B5 B2 58.91(18) . . ?
C8 B5 B8 105.8(2) . . ?
B2 B5 B8 60.18(19) . . ?
C8 B5 B6 58.40(19) . . ?
B2 B5 B6 107.2(2) . . ?
B8 B5 B6 108.0(3) . . ?
C8 B5 B10 105.5(3) . . ?
B2 B5 B10 108.2(2) . . ?
B8 B5 B10 60.3(2) . . ?
B6 B5 B10 60.0(2) . . ?
C8 B6 B1 59.22(19) . . ?
C8 B6 B5 59.1(2) . . ?
B1 B6 B5 108.0(2) . . ?
C8 B6 B10 106.1(3) . . ?
B1 B6 B10 108.2(2) . . ?
B5 B6 B10 60.1(2) . . ?
C8 B6 B7 106.1(2) . . ?
B1 B6 B7 59.93(19) . . ?
B5 B6 B7 108.4(3) . . ?
B10 B6 B7 60.4(2) . . ?
B1 B7 B3 60.21(18) . . ?
B1 B7 B6 59.74(19) . . ?
B3 B7 B6 108.1(2) . . ?
B1 B7 B9 107.9(2) . . ?
B3 B7 B9 60.2(2) . . ?
B6 B7 B9 107.5(3) . . ?
B1 B7 B10 107.4(3) . . ?
B3 B7 B10 108.1(3) . . ?
B6 B7 B10 59.6(2) . . ?
B9 B7 B10 59.8(2) . . ?
B5 B8 B2 59.82(19) . . ?
B5 B8 B4 108.5(2) . . ?
B2 B8 B4 60.34(19) . . ?
B5 B8 B10 60.1(2) . . ?
B2 B8 B10 107.7(2) . . ?
B4 B8 B10 108.1(3) . . ?
B5 B8 B9 108.4(3) . . ?
B2 B8 B9 108.2(2) . . ?
B4 B8 B9 60.1(2) . . ?
B10 B8 B9 60.0(2) . . ?
B4 B9 B10 107.6(3) . . ?
B4 B9 B8 59.6(2) . . ?
B10 B9 B8 59.9(2) . . ?
B4 B9 B7 107.4(2) . . ?
B10 B9 B7 60.2(2) . . ?
B8 B9 B7 107.6(3) . . ?
B4 B9 B3 60.0(2) . . ?
B10 B9 B3 107.9(2) . . ?
B8 B9 B3 107.6(2) . . ?
B7 B9 B3 59.61(19) . . ?
B6 B10 B5 59.9(2) . . ?
B6 B10 B8 107.3(2) . . ?
B5 B10 B8 59.6(2) . . ?
B6 B10 B9 107.9(2) . . ?
B5 B10 B9 108.0(2) . . ?
B8 B10 B9 60.1(2) . . ?
B6 B10 B7 60.0(2) . . ?
B5 B10 B7 108.0(2) . . ?
B8 B10 B7 107.7(2) . . ?
B9 B10 B7 60.0(2) . . ?
C21 B11 C21 58.7(2) 2_756 . ?
C21 B11 B14 105.7(2) 2_756 . ?
C21 B11 B14 105.7(3) . . ?
C21 B11 B13 105.7(3) 2_756 . ?
C21 B11 B13 58.32(19) . . ?
B14 B11 B13 60.6(2) . . ?
C21 B11 B12 58.43(19) 2_756 2_756 ?
C21 B11 B12 105.9(3) . 2_756 ?
B14 B11 B12 60.6(2) . 2_756 ?
B13 B11 B12 108.8(3) . 2_756 ?
C21 B12 B11 59.59(19) . 2_756 ?
C21 B12 B15 104.8(3) . . ?
B11 B12 B15 106.9(2) 2_756 . ?
C21 B12 B13 58.44(19) . . ?
B11 B12 B13 107.7(3) 2_756 . ?
B15 B12 B13 59.9(2) . . ?
C21 B12 B14 105.5(2) . 2_756 ?
B11 B12 B14 59.24(19) 2_756 2_756 ?
B15 B12 B14 59.8(2) . 2_756 ?
B13 B12 B14 107.9(3) . 2_756 ?
C21 B13 B11 59.86(19) . . ?
C21 B13 B15 105.0(3) . . ?
B11 B13 B15 107.4(2) . . ?
C21 B13 B14 106.0(2) . . ?
B11 B13 B14 59.4(2) . . ?
B15 B13 B14 60.3(2) . . ?
C21 B13 B12 58.7(2) . . ?
B11 B13 B12 108.4(2) . . ?
B15 B13 B12 59.9(2) . . ?
B14 B13 B12 108.6(3) . . ?
B11 B14 B15 107.7(3) . 2_756 ?
B11 B14 B13 60.0(2) . . ?
B15 B14 B13 107.2(3) 2_756 . ?
B11 B14 B12 60.16(19) . 2_756 ?
B15 B14 B12 59.9(2) 2_756 2_756 ?
B13 B14 B12 108.0(3) . 2_756 ?
B11 B14 B15 107.5(3) . . ?
B15 B14 B15 59.2(3) 2_756 . ?
B13 B14 B15 59.8(2) . . ?
B12 B14 B15 107.3(3) 2_756 . ?
B15 B15 B14 60.7(3) 2_756 2_756 ?
B15 B15 B12 108.8(2) 2_756 . ?
B14 B15 B12 60.3(2) 2_756 . ?
B15 B15 B13 108.1(2) 2_756 . ?
B14 B15 B13 108.5(3) 2_756 . ?
B12 B15 B13 60.2(2) . . ?
B15 B15 B14 60.1(3) 2_756 . ?
B14 B15 B14 109.0(3) 2_756 . ?
B12 B15 B14 108.6(3) . . ?
B13 B15 B14 59.9(2) . . ?
C2 C1 C6 117.7(3) . . ?
C2 C1 C1 122.8(4) . 2_756 ?
C6 C1 C1 119.4(4) . 2_756 ?
C4 C3 C2 120.1(3) . . ?
C5 C4 C3 118.8(3) . . ?
C5 C4 C7 119.3(3) . . ?
C3 C4 C7 121.8(3) . . ?
C4 C5 C6 121.0(3) . . ?
C22 C22 Cl1 104.1(4) 2_556 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 C7 C8 C9 3.0(4) . . . . ?
B4 C7 C8 C9 147.3(3) . . . . ?
B3 C7 C8 C9 -145.7(3) . . . . ?
B1 C7 C8 C9 -106.7(3) . . . . ?
B2 C7 C8 C9 108.5(3) . . . . ?
C4 C7 C8 B6 148.6(3) . . . . ?
B4 C7 C8 B6 -67.1(3) . . . . ?
B3 C7 C8 B6 -0.1(3) . . . . ?
B1 C7 C8 B6 38.9(2) . . . . ?
B2 C7 C8 B6 -105.8(3) . . . . ?
C4 C7 C8 B2 -105.5(3) . . . . ?
B4 C7 C8 B2 38.8(2) . . . . ?
B3 C7 C8 B2 105.7(3) . . . . ?
B1 C7 C8 B2 144.8(2) . . . . ?
C4 C7 C8 B5 -144.3(3) . . . . ?
B4 C7 C8 B5 0.0(3) . . . . ?
B3 C7 C8 B5 66.9(3) . . . . ?
B1 C7 C8 B5 106.0(3) . . . . ?
B2 C7 C8 B5 -38.8(2) . . . . ?
C4 C7 C8 B1 109.7(3) . . . . ?
B4 C7 C8 B1 -106.0(3) . . . . ?
B3 C7 C8 B1 -39.1(2) . . . . ?
B2 C7 C8 B1 -144.8(2) . . . . ?
B6 C8 C9 C14 -33.2(4) . . . . ?
B2 C8 C9 C14 178.4(3) . . . . ?
C7 C8 C9 C14 108.3(3) . . . . ?
B5 C8 C9 C14 -108.6(4) . . . . ?
B1 C8 C9 C14 39.4(4) . . . . ?
B6 C8 C9 C10 147.6(3) . . . . ?
B2 C8 C9 C10 -0.8(4) . . . . ?
C7 C8 C9 C10 -70.9(4) . . . . ?
B5 C8 C9 C10 72.2(4) . . . . ?
B1 C8 C9 C10 -139.8(3) . . . . ?
C14 C9 C10 C11 -1.6(5) . . . . ?
C8 C9 C10 C11 177.6(3) . . . . ?
C9 C10 C11 C12 -0.5(6) . . . . ?
C10 C11 C12 C13 2.6(5) . . . . ?
C10 C11 C12 C15 -176.7(3) . . . . ?
C11 C12 C13 C14 -2.7(5) . . . . ?
C15 C12 C13 C14 176.6(3) . . . . ?
C10 C9 C14 C13 1.5(5) . . . . ?
C8 C9 C14 C13 -177.7(3) . . . . ?
C12 C13 C14 C9 0.6(5) . . . . ?
C11 C12 C15 C20 -30.2(5) . . . . ?
C13 C12 C15 C20 150.5(3) . . . . ?
C11 C12 C15 C16 148.0(4) . . . . ?
C13 C12 C15 C16 -31.2(5) . . . . ?
C20 C15 C16 C17 0.2(5) . . . . ?
C12 C15 C16 C17 -178.1(3) . . . . ?
C15 C16 C17 C18 -1.2(5) . . . . ?
C16 C17 C18 C19 1.3(5) . . . . ?
C16 C17 C18 C21 -174.8(3) . . . . ?
C17 C18 C19 C20 -0.5(5) . . . . ?
C21 C18 C19 C20 175.6(3) . . . . ?
C16 C15 C20 C19 0.5(5) . . . . ?
C12 C15 C20 C19 178.8(3) . . . . ?
C18 C19 C20 C15 -0.4(5) . . . . ?
C19 C18 C21 C21 98.6(4) . . . 2_756 ?
C17 C18 C21 C21 -85.4(4) . . . 2_756 ?
C19 C18 C21 B13 -42.1(4) . . . . ?
C17 C18 C21 B13 133.9(3) . . . . ?
C19 C18 C21 B12 -116.8(3) . . . . ?
C17 C18 C21 B12 59.2(4) . . . . ?
C19 C18 C21 B11 169.6(3) . . . 2_756 ?
C17 C18 C21 B11 -14.4(4) . . . 2_756 ?
C19 C18 C21 B11 29.1(4) . . . . ?
C17 C18 C21 B11 -154.9(3) . . . . ?
C9 C8 B1 C7 108.4(3) . . . . ?
B6 C8 B1 C7 -138.2(2) . . . . ?
B2 C8 B1 C7 -32.9(2) . . . . ?
B5 C8 B1 C7 -100.7(3) . . . . ?
C9 C8 B1 B6 -113.4(3) . . . . ?
B2 C8 B1 B6 105.3(2) . . . . ?
C7 C8 B1 B6 138.2(2) . . . . ?
B5 C8 B1 B6 37.5(2) . . . . ?
C9 C8 B1 B7 -152.3(2) . . . . ?
B6 C8 B1 B7 -38.9(2) . . . . ?
B2 C8 B1 B7 66.4(3) . . . . ?
C7 C8 B1 B7 99.3(2) . . . . ?
B5 C8 B1 B7 -1.4(3) . . . . ?
C9 C8 B1 B3 145.0(2) . . . . ?
B6 C8 B1 B3 -101.6(2) . . . . ?
B2 C8 B1 B3 3.7(3) . . . . ?
C7 C8 B1 B3 36.6(2) . . . . ?
B5 C8 B1 B3 -64.1(3) . . . . ?
C4 C7 B1 C8 -109.0(3) . . . . ?
B4 C7 B1 C8 99.7(3) . . . . ?
B3 C7 B1 C8 138.0(2) . . . . ?
B2 C7 B1 C8 32.1(2) . . . . ?
C4 C7 B1 B6 -145.4(3) . . . . ?
B4 C7 B1 B6 63.4(3) . . . . ?
C8 C7 B1 B6 -36.3(2) . . . . ?
B3 C7 B1 B6 101.7(2) . . . . ?
B2 C7 B1 B6 -4.2(3) . . . . ?
C4 C7 B1 B7 151.5(3) . . . . ?
B4 C7 B1 B7 0.3(3) . . . . ?
C8 C7 B1 B7 -99.4(2) . . . . ?
B3 C7 B1 B7 38.6(2) . . . . ?
B2 C7 B1 B7 -67.3(3) . . . . ?
C4 C7 B1 B3 112.9(3) . . . . ?
B4 C7 B1 B3 -38.3(2) . . . . ?
C8 C7 B1 B3 -138.0(2) . . . . ?
B2 C7 B1 B3 -105.9(2) . . . . ?
C9 C8 B2 C7 -108.1(3) . . . . ?
B6 C8 B2 C7 100.9(3) . . . . ?
B5 C8 B2 C7 138.2(2) . . . . ?
B1 C8 B2 C7 32.7(2) . . . . ?
C9 C8 B2 B5 113.7(3) . . . . ?
B6 C8 B2 B5 -37.3(3) . . . . ?
C7 C8 B2 B5 -138.2(2) . . . . ?
B1 C8 B2 B5 -105.5(3) . . . . ?
C9 C8 B2 B8 152.9(3) . . . . ?
B6 C8 B2 B8 1.9(3) . . . . ?
C7 C8 B2 B8 -99.0(2) . . . . ?
B5 C8 B2 B8 39.2(2) . . . . ?
B1 C8 B2 B8 -66.3(3) . . . . ?
C9 C8 B2 B4 -144.5(3) . . . . ?
B6 C8 B2 B4 64.5(3) . . . . ?
C7 C8 B2 B4 -36.4(2) . . . . ?
B5 C8 B2 B4 101.9(3) . . . . ?
B1 C8 B2 B4 -3.7(3) . . . . ?
C4 C7 B2 C8 110.2(3) . . . . ?
B4 C7 B2 C8 -138.1(2) . . . . ?
B3 C7 B2 C8 -100.2(2) . . . . ?
B1 C7 B2 C8 -32.3(2) . . . . ?
C4 C7 B2 B5 147.0(2) . . . . ?
B4 C7 B2 B5 -101.3(3) . . . . ?
C8 C7 B2 B5 36.8(2) . . . . ?
B3 C7 B2 B5 -63.4(3) . . . . ?
B1 C7 B2 B5 4.5(3) . . . . ?
C4 C7 B2 B8 -150.2(2) . . . . ?
B4 C7 B2 B8 -38.5(2) . . . . ?
C8 C7 B2 B8 99.5(2) . . . . ?
B3 C7 B2 B8 -0.7(3) . . . . ?
B1 C7 B2 B8 67.2(3) . . . . ?
C4 C7 B2 B4 -111.7(3) . . . . ?
C8 C7 B2 B4 138.1(2) . . . . ?
B3 C7 B2 B4 37.9(2) . . . . ?
B1 C7 B2 B4 105.8(3) . . . . ?
C4 C7 B3 B7 -148.5(3) . . . . ?
B4 C7 B3 B7 101.4(3) . . . . ?
C8 C7 B3 B7 -0.6(3) . . . . ?
B1 C7 B3 B7 -38.6(2) . . . . ?
B2 C7 B3 B7 63.7(3) . . . . ?
C4 C7 B3 B1 -109.9(3) . . . . ?
B4 C7 B3 B1 140.0(2) . . . . ?
C8 C7 B3 B1 38.0(2) . . . . ?
B2 C7 B3 B1 102.4(3) . . . . ?
C4 C7 B3 B4 110.1(3) . . . . ?
C8 C7 B3 B4 -102.0(2) . . . . ?
B1 C7 B3 B4 -140.0(2) . . . . ?
B2 C7 B3 B4 -37.7(2) . . . . ?
C4 C7 B3 B9 148.7(3) . . . . ?
B4 C7 B3 B9 38.6(2) . . . . ?
C8 C7 B3 B9 -63.4(3) . . . . ?
B1 C7 B3 B9 -101.4(2) . . . . ?
B2 C7 B3 B9 1.0(3) . . . . ?
C8 B1 B3 C7 -37.1(2) . . . . ?
B6 B1 B3 C7 -98.6(3) . . . . ?
B7 B1 B3 C7 -136.0(3) . . . . ?
C8 B1 B3 B7 98.9(3) . . . . ?
C7 B1 B3 B7 136.0(3) . . . . ?
B6 B1 B3 B7 37.4(3) . . . . ?
C8 B1 B3 B4 -2.2(3) . . . . ?
C7 B1 B3 B4 35.0(2) . . . . ?
B6 B1 B3 B4 -63.7(3) . . . . ?
B7 B1 B3 B4 -101.1(3) . . . . ?
C8 B1 B3 B9 60.8(3) . . . . ?
C7 B1 B3 B9 98.0(3) . . . . ?
B6 B1 B3 B9 -0.7(3) . . . . ?
B7 B1 B3 B9 -38.1(2) . . . . ?
C4 C7 B4 B8 145.1(3) . . . . ?
C8 C7 B4 B8 1.0(3) . . . . ?
B3 C7 B4 B8 -101.9(3) . . . . ?
B1 C7 B4 B8 -63.7(3) . . . . ?
B2 C7 B4 B8 38.6(2) . . . . ?
C4 C7 B4 B2 106.5(3) . . . . ?
C8 C7 B4 B2 -37.6(2) . . . . ?
B3 C7 B4 B2 -140.5(2) . . . . ?
B1 C7 B4 B2 -102.3(3) . . . . ?
C4 C7 B4 B9 -151.8(3) . . . . ?
C8 C7 B4 B9 64.1(3) . . . . ?
B3 C7 B4 B9 -38.9(2) . . . . ?
B1 C7 B4 B9 -0.6(3) . . . . ?
B2 C7 B4 B9 101.7(3) . . . . ?
C4 C7 B4 B3 -113.0(3) . . . . ?
C8 C7 B4 B3 102.9(3) . . . . ?
B1 C7 B4 B3 38.2(2) . . . . ?
B2 C7 B4 B3 140.5(2) . . . . ?
C8 B2 B4 C7 36.9(2) . . . . ?
B5 B2 B4 C7 99.2(3) . . . . ?
B8 B2 B4 C7 136.1(3) . . . . ?
C8 B2 B4 B8 -99.1(3) . . . . ?
C7 B2 B4 B8 -136.1(3) . . . . ?
B5 B2 B4 B8 -36.9(2) . . . . ?
C8 B2 B4 B9 -61.4(3) . . . . ?
C7 B2 B4 B9 -98.4(3) . . . . ?
B5 B2 B4 B9 0.8(3) . . . . ?
B8 B2 B4 B9 37.7(2) . . . . ?
C8 B2 B4 B3 2.1(3) . . . . ?
C7 B2 B4 B3 -34.8(2) . . . . ?
B5 B2 B4 B3 64.4(3) . . . . ?
B8 B2 B4 B3 101.3(3) . . . . ?
B7 B3 B4 C7 -98.1(2) . . . . ?
B1 B3 B4 C7 -35.1(2) . . . . ?
B9 B3 B4 C7 -136.0(2) . . . . ?
C7 B3 B4 B8 98.3(2) . . . . ?
B7 B3 B4 B8 0.2(3) . . . . ?
B1 B3 B4 B8 63.2(3) . . . . ?
B9 B3 B4 B8 -37.6(2) . . . . ?
C7 B3 B4 B2 35.1(2) . . . . ?
B7 B3 B4 B2 -63.0(3) . . . . ?
B1 B3 B4 B2 0.0(3) . . . . ?
B9 B3 B4 B2 -100.9(3) . . . . ?
C7 B3 B4 B9 136.0(2) . . . . ?
B7 B3 B4 B9 37.8(2) . . . . ?
B1 B3 B4 B9 100.9(2) . . . . ?
C9 C8 B5 B2 -107.3(3) . . . . ?
B6 C8 B5 B2 141.0(3) . . . . ?
C7 C8 B5 B2 38.3(2) . . . . ?
B1 C8 B5 B2 103.6(3) . . . . ?
C9 C8 B5 B8 -146.6(3) . . . . ?
B6 C8 B5 B8 101.7(3) . . . . ?
B2 C8 B5 B8 -39.3(2) . . . . ?
C7 C8 B5 B8 -1.0(3) . . . . ?
B1 C8 B5 B8 64.3(3) . . . . ?
C9 C8 B5 B6 111.6(3) . . . . ?
B2 C8 B5 B6 -141.0(3) . . . . ?
C7 C8 B5 B6 -102.7(3) . . . . ?
B1 C8 B5 B6 -37.4(2) . . . . ?
C9 C8 B5 B10 150.4(3) . . . . ?
B6 C8 B5 B10 38.8(2) . . . . ?
B2 C8 B5 B10 -102.2(3) . . . . ?
C7 C8 B5 B10 -63.9(3) . . . . ?
B1 C8 B5 B10 1.4(3) . . . . ?
C7 B2 B5 C8 -37.0(2) . . . . ?
B8 B2 B5 C8 -135.4(3) . . . . ?
B4 B2 B5 C8 -98.5(3) . . . . ?
C8 B2 B5 B8 135.4(3) . . . . ?
C7 B2 B5 B8 98.4(3) . . . . ?
B4 B2 B5 B8 36.8(2) . . . . ?
C8 B2 B5 B6 34.1(2) . . . . ?
C7 B2 B5 B6 -2.9(3) . . . . ?
B8 B2 B5 B6 -101.2(3) . . . . ?
B4 B2 B5 B6 -64.4(3) . . . . ?
C8 B2 B5 B10 97.4(3) . . . . ?
C7 B2 B5 B10 60.5(3) . . . . ?
B8 B2 B5 B10 -37.9(3) . . . . ?
B4 B2 B5 B10 -1.1(3) . . . . ?
C9 C8 B6 B1 106.2(3) . . . . ?
B2 C8 B6 B1 -103.9(3) . . . . ?
C7 C8 B6 B1 -38.0(2) . . . . ?
B5 C8 B6 B1 -140.9(2) . . . . ?
C9 C8 B6 B5 -112.8(3) . . . . ?
B2 C8 B6 B5 37.1(2) . . . . ?
C7 C8 B6 B5 102.9(3) . . . . ?
B1 C8 B6 B5 140.9(2) . . . . ?
C9 C8 B6 B10 -151.8(3) . . . . ?
B2 C8 B6 B10 -1.9(3) . . . . ?
C7 C8 B6 B10 64.0(3) . . . . ?
B5 C8 B6 B10 -39.0(2) . . . . ?
B1 C8 B6 B10 102.0(3) . . . . ?
C9 C8 B6 B7 145.0(3) . . . . ?
B2 C8 B6 B7 -65.1(3) . . . . ?
C7 C8 B6 B7 0.8(3) . . . . ?
B5 C8 B6 B7 -102.1(3) . . . . ?
B1 C8 B6 B7 38.8(2) . . . . ?
C7 B1 B6 C8 36.9(2) . . . . ?
B7 B1 B6 C8 135.9(3) . . . . ?
B3 B1 B6 C8 98.7(3) . . . . ?
C8 B1 B6 B5 -34.7(2) . . . . ?
C7 B1 B6 B5 2.3(3) . . . . ?
B7 B1 B6 B5 101.3(3) . . . . ?
B3 B1 B6 B5 64.1(3) . . . . ?
C8 B1 B6 B10 -98.2(3) . . . . ?
C7 B1 B6 B10 -61.3(3) . . . . ?
B7 B1 B6 B10 37.7(3) . . . . ?
B3 B1 B6 B10 0.5(4) . . . . ?
C8 B1 B6 B7 -135.9(3) . . . . ?
C7 B1 B6 B7 -99.0(3) . . . . ?
B3 B1 B6 B7 -37.2(3) . . . . ?
B2 B5 B6 C8 -34.3(2) . . . . ?
B8 B5 B6 C8 -97.8(2) . . . . ?
B10 B5 B6 C8 -135.8(2) . . . . ?
C8 B5 B6 B1 34.7(2) . . . . ?
B2 B5 B6 B1 0.4(3) . . . . ?
B8 B5 B6 B1 -63.1(3) . . . . ?
B10 B5 B6 B1 -101.1(3) . . . . ?
C8 B5 B6 B10 135.8(2) . . . . ?
B2 B5 B6 B10 101.5(3) . . . . ?
B8 B5 B6 B10 38.0(2) . . . . ?
C8 B5 B6 B7 98.2(2) . . . . ?
B2 B5 B6 B7 63.8(3) . . . . ?
B8 B5 B6 B7 0.4(3) . . . . ?
B10 B5 B6 B7 -37.6(2) . . . . ?
C8 B1 B7 B3 -100.4(3) . . . . ?
C7 B1 B7 B3 -38.0(2) . . . . ?
B6 B1 B7 B3 -138.4(3) . . . . ?
C8 B1 B7 B6 38.0(2) . . . . ?
C7 B1 B7 B6 100.4(3) . . . . ?
B3 B1 B7 B6 138.4(3) . . . . ?
C8 B1 B7 B9 -62.2(3) . . . . ?
C7 B1 B7 B9 0.1(3) . . . . ?
B6 B1 B7 B9 -100.3(3) . . . . ?
B3 B1 B7 B9 38.2(2) . . . . ?
C8 B1 B7 B10 0.9(3) . . . . ?
C7 B1 B7 B10 63.3(3) . . . . ?
B6 B1 B7 B10 -37.1(2) . . . . ?
B3 B1 B7 B10 101.3(3) . . . . ?
C7 B3 B7 B1 38.2(2) . . . . ?
B4 B3 B7 B1 99.6(3) . . . . ?
B9 B3 B7 B1 137.3(3) . . . . ?
C7 B3 B7 B6 1.1(3) . . . . ?
B1 B3 B7 B6 -37.1(3) . . . . ?
B4 B3 B7 B6 62.5(3) . . . . ?
B9 B3 B7 B6 100.3(3) . . . . ?
C7 B3 B7 B9 -99.1(3) . . . . ?
B1 B3 B7 B9 -137.3(3) . . . . ?
B4 B3 B7 B9 -37.7(2) . . . . ?
C7 B3 B7 B10 -61.9(3) . . . . ?
B1 B3 B7 B10 -100.1(3) . . . . ?
B4 B3 B7 B10 -0.5(3) . . . . ?
B9 B3 B7 B10 37.2(2) . . . . ?
C8 B6 B7 B1 -38.5(2) . . . . ?
B5 B6 B7 B1 -100.6(3) . . . . ?
B10 B6 B7 B1 -138.1(3) . . . . ?
C8 B6 B7 B3 -1.2(3) . . . . ?
B1 B6 B7 B3 37.3(3) . . . . ?
B5 B6 B7 B3 -63.3(3) . . . . ?
B10 B6 B7 B3 -100.8(3) . . . . ?
C8 B6 B7 B9 62.4(3) . . . . ?
B1 B6 B7 B9 100.9(3) . . . . ?
B5 B6 B7 B9 0.3(3) . . . . ?
B10 B6 B7 B9 -37.2(2) . . . . ?
C8 B6 B7 B10 99.6(3) . . . . ?
B1 B6 B7 B10 138.1(3) . . . . ?
B5 B6 B7 B10 37.5(2) . . . . ?
C8 B5 B8 B2 38.7(2) . . . . ?
B6 B5 B8 B2 100.0(3) . . . . ?
B10 B5 B8 B2 137.8(3) . . . . ?
C8 B5 B8 B4 1.6(3) . . . . ?
B2 B5 B8 B4 -37.1(3) . . . . ?
B6 B5 B8 B4 62.9(3) . . . . ?
B10 B5 B8 B4 100.7(3) . . . . ?
C8 B5 B8 B10 -99.1(3) . . . . ?
B2 B5 B8 B10 -137.8(3) . . . . ?
B6 B5 B8 B10 -37.8(2) . . . . ?
C8 B5 B8 B9 -62.1(3) . . . . ?
B2 B5 B8 B9 -100.8(3) . . . . ?
B6 B5 B8 B9 -0.8(3) . . . . ?
B10 B5 B8 B9 37.0(2) . . . . ?
C8 B2 B8 B5 -38.8(2) . . . . ?
C7 B2 B8 B5 -101.1(3) . . . . ?
B4 B2 B8 B5 -138.8(3) . . . . ?
C8 B2 B8 B4 100.0(3) . . . . ?
C7 B2 B8 B4 37.8(2) . . . . ?
B5 B2 B8 B4 138.8(3) . . . . ?
C8 B2 B8 B10 -1.2(3) . . . . ?
C7 B2 B8 B10 -63.4(3) . . . . ?
B5 B2 B8 B10 37.7(2) . . . . ?
B4 B2 B8 B10 -101.2(3) . . . . ?
C8 B2 B8 B9 62.3(3) . . . . ?
C7 B2 B8 B9 0.1(3) . . . . ?
B5 B2 B8 B9 101.1(3) . . . . ?
B4 B2 B8 B9 -37.7(2) . . . . ?
C7 B4 B8 B5 -1.7(3) . . . . ?
B2 B4 B8 B5 36.9(2) . . . . ?
B9 B4 B8 B5 -101.1(3) . . . . ?
B3 B4 B8 B5 -63.5(3) . . . . ?
C7 B4 B8 B2 -38.5(2) . . . . ?
B9 B4 B8 B2 -137.9(3) . . . . ?
B3 B4 B8 B2 -100.3(3) . . . . ?
C7 B4 B8 B10 62.0(3) . . . . ?
B2 B4 B8 B10 100.5(3) . . . . ?
B9 B4 B8 B10 -37.4(2) . . . . ?
B3 B4 B8 B10 0.2(3) . . . . ?
C7 B4 B8 B9 99.4(3) . . . . ?
B2 B4 B8 B9 137.9(3) . . . . ?
B3 B4 B8 B9 37.6(2) . . . . ?
C7 B4 B9 B10 -62.7(3) . . . . ?
B8 B4 B9 B10 37.2(2) . . . . ?
B2 B4 B9 B10 -0.3(3) . . . . ?
B3 B4 B9 B10 -100.9(3) . . . . ?
C7 B4 B9 B8 -99.9(3) . . . . ?
B2 B4 B9 B8 -37.5(2) . . . . ?
B3 B4 B9 B8 -138.1(3) . . . . ?
C7 B4 B9 B7 0.7(3) . . . . ?
B8 B4 B9 B7 100.6(3) . . . . ?
B2 B4 B9 B7 63.2(3) . . . . ?
B3 B4 B9 B7 -37.5(2) . . . . ?
C7 B4 B9 B3 38.2(2) . . . . ?
B8 B4 B9 B3 138.1(3) . . . . ?
B2 B4 B9 B3 100.7(3) . . . . ?
B5 B8 B9 B4 101.2(3) . . . . ?
B2 B8 B9 B4 37.8(2) . . . . ?
B10 B8 B9 B4 138.2(3) . . . . ?
B5 B8 B9 B10 -37.0(2) . . . . ?
B2 B8 B9 B10 -100.4(3) . . . . ?
B4 B8 B9 B10 -138.2(2) . . . . ?
B5 B8 B9 B7 1.0(3) . . . . ?
B2 B8 B9 B7 -62.4(3) . . . . ?
B4 B8 B9 B7 -100.2(2) . . . . ?
B10 B8 B9 B7 38.0(2) . . . . ?
B5 B8 B9 B3 63.9(3) . . . . ?
B2 B8 B9 B3 0.5(3) . . . . ?
B4 B8 B9 B3 -37.3(2) . . . . ?
B10 B8 B9 B3 100.9(3) . . . . ?
B1 B7 B9 B4 -0.5(3) . . . . ?
B3 B7 B9 B4 37.6(2) . . . . ?
B6 B7 B9 B4 -63.6(3) . . . . ?
B10 B7 B9 B4 -100.7(3) . . . . ?
B1 B7 B9 B10 100.1(3) . . . . ?
B3 B7 B9 B10 138.3(3) . . . . ?
B6 B7 B9 B10 37.1(2) . . . . ?
B1 B7 B9 B8 62.3(3) . . . . ?
B3 B7 B9 B8 100.4(3) . . . . ?
B6 B7 B9 B8 -0.8(3) . . . . ?
B10 B7 B9 B8 -37.9(2) . . . . ?
B1 B7 B9 B3 -38.2(2) . . . . ?
B6 B7 B9 B3 -101.2(3) . . . . ?
B10 B7 B9 B3 -138.3(3) . . . . ?
C7 B3 B9 B4 -38.0(2) . . . . ?
B7 B3 B9 B4 -137.7(3) . . . . ?
B1 B3 B9 B4 -99.7(3) . . . . ?
C7 B3 B9 B10 62.3(3) . . . . ?
B7 B3 B9 B10 -37.3(3) . . . . ?
B1 B3 B9 B10 0.6(4) . . . . ?
B4 B3 B9 B10 100.3(3) . . . . ?
C7 B3 B9 B8 -0.9(3) . . . . ?
B7 B3 B9 B8 -100.5(3) . . . . ?
B1 B3 B9 B8 -62.6(3) . . . . ?
B4 B3 B9 B8 37.1(2) . . . . ?
C7 B3 B9 B7 99.7(3) . . . . ?
B1 B3 B9 B7 37.9(2) . . . . ?
B4 B3 B9 B7 137.7(3) . . . . ?
C8 B6 B10 B5 38.5(2) . . . . ?
B1 B6 B10 B5 100.7(3) . . . . ?
B7 B6 B10 B5 138.2(2) . . . . ?
C8 B6 B10 B8 1.0(3) . . . . ?
B1 B6 B10 B8 63.3(3) . . . . ?
B5 B6 B10 B8 -37.5(2) . . . . ?
B7 B6 B10 B8 100.8(3) . . . . ?
C8 B6 B10 B9 -62.4(3) . . . . ?
B1 B6 B10 B9 -0.1(4) . . . . ?
B5 B6 B10 B9 -100.9(3) . . . . ?
B7 B6 B10 B9 37.4(2) . . . . ?
C8 B6 B10 B7 -99.7(3) . . . . ?
B1 B6 B10 B7 -37.5(2) . . . . ?
B5 B6 B10 B7 -138.2(2) . . . . ?
C8 B5 B10 B6 -38.0(2) . . . . ?
B2 B5 B10 B6 -99.8(3) . . . . ?
B8 B5 B10 B6 -137.7(2) . . . . ?
C8 B5 B10 B8 99.6(2) . . . . ?
B2 B5 B10 B8 37.8(2) . . . . ?
B6 B5 B10 B8 137.7(2) . . . . ?
C8 B5 B10 B9 62.7(3) . . . . ?
B2 B5 B10 B9 0.9(3) . . . . ?
B8 B5 B10 B9 -36.9(2) . . . . ?
B6 B5 B10 B9 100.7(3) . . . . ?
C8 B5 B10 B7 -0.7(3) . . . . ?
B2 B5 B10 B7 -62.5(3) . . . . ?
B8 B5 B10 B7 -100.3(3) . . . . ?
B6 B5 B10 B7 37.3(2) . . . . ?
B5 B8 B10 B6 37.6(2) . . . . ?
B2 B8 B10 B6 0.1(3) . . . . ?
B4 B8 B10 B6 -63.7(3) . . . . ?
B9 B8 B10 B6 -101.1(3) . . . . ?
B2 B8 B10 B5 -37.6(2) . . . . ?
B4 B8 B10 B5 -101.3(3) . . . . ?
B9 B8 B10 B5 -138.8(2) . . . . ?
B5 B8 B10 B9 138.8(2) . . . . ?
B2 B8 B10 B9 101.2(3) . . . . ?
B4 B8 B10 B9 37.4(2) . . . . ?
B5 B8 B10 B7 100.8(3) . . . . ?
B2 B8 B10 B7 63.3(3) . . . . ?
B4 B8 B10 B7 -0.5(3) . . . . ?
B9 B8 B10 B7 -37.9(2) . . . . ?
B4 B9 B10 B6 63.0(3) . . . . ?
B8 B9 B10 B6 100.1(3) . . . . ?
B7 B9 B10 B6 -37.4(2) . . . . ?
B3 B9 B10 B6 -0.3(4) . . . . ?
B4 B9 B10 B5 -0.4(4) . . . . ?
B8 B9 B10 B5 36.7(2) . . . . ?
B7 B9 B10 B5 -100.7(3) . . . . ?
B3 B9 B10 B5 -63.7(3) . . . . ?
B4 B9 B10 B8 -37.1(2) . . . . ?
B7 B9 B10 B8 -137.4(2) . . . . ?
B3 B9 B10 B8 -100.4(3) . . . . ?
B4 B9 B10 B7 100.4(3) . . . . ?
B8 B9 B10 B7 137.4(2) . . . . ?
B3 B9 B10 B7 37.1(2) . . . . ?
B1 B7 B10 B6 37.2(2) . . . . ?
B3 B7 B10 B6 100.8(3) . . . . ?
B9 B7 B10 B6 138.2(2) . . . . ?
B1 B7 B10 B5 -0.1(3) . . . . ?
B3 B7 B10 B5 63.5(3) . . . . ?
B6 B7 B10 B5 -37.3(2) . . . . ?
B9 B7 B10 B5 100.9(3) . . . . ?
B1 B7 B10 B8 -63.0(3) . . . . ?
B3 B7 B10 B8 0.6(3) . . . . ?
B6 B7 B10 B8 -100.2(3) . . . . ?
B9 B7 B10 B8 38.0(2) . . . . ?
B1 B7 B10 B9 -101.0(3) . . . . ?
B3 B7 B10 B9 -37.4(2) . . . . ?
B6 B7 B10 B9 -138.2(2) . . . . ?
C18 C21 B11 C21 110.2(2) . . . 2_756 ?
B13 C21 B11 C21 -138.4(2) . . . 2_756 ?
B12 C21 B11 C21 -101.1(2) . . . 2_756 ?
B11 C21 B11 C21 -33.2(3) 2_756 . . 2_756 ?
C18 C21 B11 B14 -150.8(2) . . . . ?
C21 C21 B11 B14 99.1(2) 2_756 . . . ?
B13 C21 B11 B14 -39.4(2) . . . . ?
B12 C21 B11 B14 -2.1(3) . . . . ?
B11 C21 B11 B14 65.8(3) 2_756 . . . ?
C18 C21 B11 B13 -111.4(3) . . . . ?
C21 C21 B11 B13 138.4(2) 2_756 . . . ?
B12 C21 B11 B13 37.3(2) . . . . ?
B11 C21 B11 B13 105.2(3) 2_756 . . . ?
C18 C21 B11 B12 146.0(2) . . . 2_756 ?
C21 C21 B11 B12 35.80(17) 2_756 . . 2_756 ?
B13 C21 B11 B12 -102.6(3) . . . 2_756 ?
B12 C21 B11 B12 -65.3(3) . . . 2_756 ?
B11 C21 B11 B12 2.6(3) 2_756 . . 2_756 ?
C18 C21 B12 B11 -109.4(3) . . . 2_756 ?
C21 C21 B12 B11 37.9(3) 2_756 . . 2_756 ?
B13 C21 B12 B11 140.6(3) . . . 2_756 ?
B11 C21 B12 B11 103.7(3) . . . 2_756 ?
C18 C21 B12 B15 149.5(3) . . . . ?
C21 C21 B12 B15 -63.2(3) 2_756 . . . ?
B13 C21 B12 B15 39.5(2) . . . . ?
B11 C21 B12 B15 -101.1(3) 2_756 . . . ?
B11 C21 B12 B15 2.6(3) . . . . ?
C18 C21 B12 B13 110.0(3) . . . . ?
C21 C21 B12 B13 -102.7(3) 2_756 . . . ?
B11 C21 B12 B13 -140.6(3) 2_756 . . . ?
B11 C21 B12 B13 -36.9(2) . . . . ?
C18 C21 B12 B14 -148.3(3) . . . 2_756 ?
C21 C21 B12 B14 -1.0(4) 2_756 . . 2_756 ?
B13 C21 B12 B14 101.7(3) . . . 2_756 ?
B11 C21 B12 B14 -38.9(2) 2_756 . . 2_756 ?
B11 C21 B12 B14 64.8(3) . . . 2_756 ?
C18 C21 B13 B11 106.0(3) . . . . ?
C21 C21 B13 B11 -38.0(3) 2_756 . . . ?
B12 C21 B13 B11 -141.3(2) . . . . ?
B11 C21 B13 B11 -103.8(3) 2_756 . . . ?
C18 C21 B13 B15 -152.3(3) . . . . ?
C21 C21 B13 B15 63.7(4) 2_756 . . . ?
B12 C21 B13 B15 -39.6(2) . . . . ?
B11 C21 B13 B15 -2.1(3) 2_756 . . . ?
B11 C21 B13 B15 101.7(3) . . . . ?
C18 C21 B13 B14 144.9(3) . . . . ?
C21 C21 B13 B14 0.9(4) 2_756 . . . ?
B12 C21 B13 B14 -102.4(3) . . . . ?
B11 C21 B13 B14 -64.9(3) 2_756 . . . ?
B11 C21 B13 B14 38.9(2) . . . . ?
C18 C21 B13 B12 -112.8(3) . . . . ?
C21 C21 B13 B12 103.3(3) 2_756 . . . ?
B11 C21 B13 B12 37.5(2) 2_756 . . . ?
B11 C21 B13 B12 141.3(2) . . . . ?
C21 B11 B13 C21 36.1(2) 2_756 . . . ?
B14 B11 B13 C21 135.5(3) . . . . ?
B12 B11 B13 C21 97.5(3) 2_756 . . . ?
C21 B11 B13 B15 -61.5(3) 2_756 . . . ?
C21 B11 B13 B15 -97.6(3) . . . . ?
B14 B11 B13 B15 37.9(3) . . . . ?
B12 B11 B13 B15 -0.1(4) 2_756 . . . ?
C21 B11 B13 B14 -99.4(3) 2_756 . . . ?
C21 B11 B13 B14 -135.5(3) . . . . ?
B12 B11 B13 B14 -38.0(3) 2_756 . . . ?
C21 B11 B13 B12 1.8(3) 2_756 . . . ?
C21 B11 B13 B12 -34.3(2) . . . . ?
B14 B11 B13 B12 101.2(3) . . . . ?
B12 B11 B13 B12 63.2(3) 2_756 . . . ?
B11 B12 B13 C21 -35.0(2) 2_756 . . . ?
B15 B12 B13 C21 -134.7(3) . . . . ?
B14 B12 B13 C21 -97.6(2) 2_756 . . . ?
C21 B12 B13 B11 34.8(2) . . . . ?
B11 B12 B13 B11 -0.3(3) 2_756 . . . ?
B15 B12 B13 B11 -99.9(3) . . . . ?
B14 B12 B13 B11 -62.8(3) 2_756 . . . ?
C21 B12 B13 B15 134.7(3) . . . . ?
B11 B12 B13 B15 99.6(3) 2_756 . . . ?
B14 B12 B13 B15 37.1(2) 2_756 . . . ?
C21 B12 B13 B14 97.8(3) . . . . ?
B11 B12 B13 B14 62.8(3) 2_756 . . . ?
B15 B12 B13 B14 -36.9(2) . . . . ?
B14 B12 B13 B14 0.2(3) 2_756 . . . ?
C21 B11 B14 B15 -0.6(3) 2_756 . . 2_756 ?
C21 B11 B14 B15 -61.8(3) . . . 2_756 ?
B13 B11 B14 B15 -100.1(3) . . . 2_756 ?
B12 B11 B14 B15 37.9(3) 2_756 . . 2_756 ?
C21 B11 B14 B13 99.5(3) 2_756 . . . ?
C21 B11 B14 B13 38.3(2) . . . . ?
B12 B11 B14 B13 138.0(3) 2_756 . . . ?
C21 B11 B14 B12 -38.5(2) 2_756 . . 2_756 ?
C21 B11 B14 B12 -99.7(3) . . . 2_756 ?
B13 B11 B14 B12 -138.0(3) . . . 2_756 ?
C21 B11 B14 B15 61.7(3) 2_756 . . . ?
C21 B11 B14 B15 0.6(3) . . . . ?
B13 B11 B14 B15 -37.7(2) . . . . ?
B12 B11 B14 B15 100.3(3) 2_756 . . . ?
C21 B13 B14 B11 -39.1(2) . . . . ?
B15 B13 B14 B11 -137.5(3) . . . . ?
B12 B13 B14 B11 -100.9(3) . . . . ?
C21 B13 B14 B15 61.7(3) . . . 2_756 ?
B11 B13 B14 B15 100.8(3) . . . 2_756 ?
B15 B13 B14 B15 -36.7(2) . . . 2_756 ?
B12 B13 B14 B15 -0.1(3) . . . 2_756 ?
C21 B13 B14 B12 -1.5(4) . . . 2_756 ?
B11 B13 B14 B12 37.6(3) . . . 2_756 ?
B15 B13 B14 B12 -99.9(3) . . . 2_756 ?
B12 B13 B14 B12 -63.3(3) . . . 2_756 ?
C21 B13 B14 B15 98.4(3) . . . . ?
B11 B13 B14 B15 137.5(3) . . . . ?
B12 B13 B14 B15 36.7(2) . . . . ?
C21 B12 B15 B15 61.7(4) . . . 2_756 ?
B11 B12 B15 B15 -0.5(4) 2_756 . . 2_756 ?
B13 B12 B15 B15 100.5(3) . . . 2_756 ?
B14 B12 B15 B15 -37.9(3) 2_756 . . 2_756 ?
C21 B12 B15 B14 99.6(3) . . . 2_756 ?
B11 B12 B15 B14 37.4(3) 2_756 . . 2_756 ?
B13 B12 B15 B14 138.4(3) . . . 2_756 ?
C21 B12 B15 B13 -38.8(2) . . . . ?
B11 B12 B15 B13 -101.0(3) 2_756 . . . ?
B14 B12 B15 B13 -138.4(3) 2_756 . . . ?
C21 B12 B15 B14 -2.1(3) . . . . ?
B11 B12 B15 B14 -64.3(3) 2_756 . . . ?
B13 B12 B15 B14 36.7(2) . . . . ?
B14 B12 B15 B14 -101.7(3) 2_756 . . . ?
C21 B13 B15 B15 -62.8(4) . . . 2_756 ?
B11 B13 B15 B15 -0.2(4) . . . 2_756 ?
B14 B13 B15 B15 37.3(3) . . . 2_756 ?
B12 B13 B15 B15 -101.8(3) . . . 2_756 ?
C21 B13 B15 B14 1.6(4) . . . 2_756 ?
B11 B13 B15 B14 64.1(3) . . . 2_756 ?
B14 B13 B15 B14 101.7(3) . . . 2_756 ?
B12 B13 B15 B14 -37.5(3) . . . 2_756 ?
C21 B13 B15 B12 39.0(2) . . . . ?
B11 B13 B15 B12 101.6(3) . . . . ?
B14 B13 B15 B12 139.1(3) . . . . ?
C21 B13 B15 B14 -100.1(3) . . . . ?
B11 B13 B15 B14 -37.5(2) . . . . ?
B12 B13 B15 B14 -139.1(3) . . . . ?
B11 B14 B15 B15 -100.5(2) . . . 2_756 ?
B13 B14 B15 B15 -138.3(2) . . . 2_756 ?
B12 B14 B15 B15 -37.13(18) 2_756 . . 2_756 ?
B11 B14 B15 B14 -63.1(3) . . . 2_756 ?
B15 B14 B15 B14 37.4(3) 2_756 . . 2_756 ?
B13 B14 B15 B14 -100.9(3) . . . 2_756 ?
B12 B14 B15 B14 0.3(4) 2_756 . . 2_756 ?
B11 B14 B15 B12 1.0(3) . . . . ?
B15 B14 B15 B12 101.5(3) 2_756 . . . ?
B13 B14 B15 B12 -36.8(2) . . . . ?
B12 B14 B15 B12 64.3(3) 2_756 . . . ?
B11 B14 B15 B13 37.8(2) . . . . ?
B15 B14 B15 B13 138.3(2) 2_756 . . . ?
B12 B14 B15 B13 101.2(3) 2_756 . . . ?
C3 C2 C1 C6 0.5(5) . . . . ?
C3 C2 C1 C1 179.5(3) . . . 2_756 ?
C5 C6 C1 C2 -0.3(5) . . . . ?
C5 C6 C1 C1 -179.2(3) . . . 2_756 ?
C1 C2 C3 C4 -1.3(5) . . . . ?
C2 C3 C4 C5 1.8(5) . . . . ?
C2 C3 C4 C7 -176.3(3) . . . . ?
B4 C7 C4 C5 -35.3(4) . . . . ?
C8 C7 C4 C5 105.1(3) . . . . ?
B3 C7 C4 C5 -110.1(4) . . . . ?
B1 C7 C4 C5 175.5(3) . . . . ?
B2 C7 C4 C5 36.5(4) . . . . ?
B4 C7 C4 C3 142.7(3) . . . . ?
C8 C7 C4 C3 -76.9(4) . . . . ?
B3 C7 C4 C3 67.9(4) . . . . ?
B1 C7 C4 C3 -6.5(4) . . . . ?
B2 C7 C4 C3 -145.5(3) . . . . ?
C3 C4 C5 C6 -1.5(5) . . . . ?
C7 C4 C5 C6 176.6(3) . . . . ?
C1 C6 C5 C4 0.8(5) . . . . ?

_refine_diff_density_max         1.966
_refine_diff_density_min         -1.798
_refine_diff_density_rms         0.132



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloroethane, methanol'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_DBE@CB3Ph6
_database_code_depnum_ccdc_archive 'CCDC 2495494'
loop_
_audit_author_name
_audit_author_address
'Sota Takemori'
;Kyoto University
Japan
;
_audit_update_record             
;
2025-10-15 deposited with the CCDC.	2025-12-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H58 B30 Br2'
_chemical_formula_weight         1071.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 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+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   7.2884(17)
_cell_length_b                   31.271(7)
_cell_length_c                   23.733(6)
_cell_angle_alpha                90
_cell_angle_beta                 92.054(3)
_cell_angle_gamma                90
_cell_volume                     5406(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    8119
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Plate
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_F_000             2168
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.535
_shelx_estimated_absorpt_T_min   0.639
_shelx_estimated_absorpt_T_max   0.887
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.605
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'REQAB; Rigaku, 1998'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            21870
_diffrn_reflns_av_unetI/netI     0.0516
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.026
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             6128
_reflns_number_gt                4383
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1398P)²+7.3825P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         6128
_refine_ls_number_parameters     337
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_gt           0.0807
_refine_ls_wR_factor_ref         0.2454
_refine_ls_wR_factor_gt          0.2287
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      18.763
_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
C1 C 0.0531(4) 0.35225(9) 0.27712(12) 0.0200(6) Uani 1 1 d . . . . .
C2 C 0.2393(5) 0.36380(11) 0.28003(13) 0.0276(7) Uani 1 1 d . . . . .
H2 H 0.296301 0.372111 0.247351 0.033 Uiso 1 1 calc R U . . .
C3 C 0.3398(4) 0.36305(11) 0.33082(13) 0.0245(7) Uani 1 1 d . . . . .
H3 H 0.462619 0.371143 0.331796 0.029 Uiso 1 1 calc R U . . .
C4 C 0.2587(4) 0.35031(9) 0.38029(12) 0.0184(6) Uani 1 1 d . . . . .
C5 C 0.0746(5) 0.33861(12) 0.37769(14) 0.0286(7) Uani 1 1 d . . . . .
H5 H 0.018385 0.329812 0.410283 0.034 Uiso 1 1 calc R U . . .
C6 C -0.0265(5) 0.33992(11) 0.32685(13) 0.0278(7) Uani 1 1 d . . . . .
H6 H -0.149979 0.332375 0.326184 0.033 Uiso 1 1 calc R U . . .
C7 C 0.3662(4) 0.34648(9) 0.43539(12) 0.0176(6) Uani 1 1 d . . . . .
C8 C 0.4194(4) 0.39196(9) 0.47359(12) 0.0178(6) Uani 1 1 d . . . . .
C9 C 0.3625(4) 0.43437(9) 0.44841(12) 0.0198(6) Uani 1 1 d . . . . .
C10 C 0.1786(5) 0.44663(11) 0.44240(15) 0.0303(7) Uani 1 1 d . . . . .
H10 H 0.087175 0.428750 0.455304 0.036 Uiso 1 1 calc R U . . .
C11 C 0.1317(5) 0.48520(11) 0.41736(17) 0.0324(8) Uani 1 1 d . . . . .
H11 H 0.008514 0.492822 0.413718 0.039 Uiso 1 1 calc R U . . .
C12 C 0.2638(5) 0.51290(10) 0.39748(13) 0.0236(7) Uani 1 1 d . . . . .
C13 C 0.4475(4) 0.50100(10) 0.40570(14) 0.0257(7) Uani 1 1 d . . . . .
H13 H 0.539431 0.519442 0.394479 0.031 Uiso 1 1 calc R U . . .
C14 C 0.4952(5) 0.46223(10) 0.43025(14) 0.0248(7) Uani 1 1 d . . . . .
H14 H 0.618433 0.454814 0.434601 0.030 Uiso 1 1 calc R U . . .
C15 C 0.2114(4) 0.55285(9) 0.36731(13) 0.0221(6) Uani 1 1 d . . . . .
C16 C 0.0551(5) 0.57575(10) 0.38118(13) 0.0250(7) Uani 1 1 d . . . . .
H16 H -0.016889 0.565922 0.410048 0.030 Uiso 1 1 calc R U . . .
C17 C 0.0052(4) 0.61286(9) 0.35271(13) 0.0222(6) Uani 1 1 d . . . . .
H17 H -0.099004 0.627755 0.362841 0.027 Uiso 1 1 calc R U . . .
C18 C 0.1106(4) 0.62815(9) 0.30873(12) 0.0190(6) Uani 1 1 d . . . . .
C19 C 0.2659(4) 0.60536(10) 0.29473(13) 0.0245(7) Uani 1 1 d . . . . .
H19 H 0.336906 0.615027 0.265541 0.029 Uiso 1 1 calc R U . . .
C20 C 0.3168(5) 0.56840(10) 0.32357(14) 0.0268(7) Uani 1 1 d . . . . .
H20 H 0.422069 0.553777 0.313747 0.032 Uiso 1 1 calc R U . . .
C21 C 0.0623(4) 0.67009(9) 0.28149(12) 0.0170(6) Uani 1 1 d . . . . .
C22 C 0.9030(9) 0.4711(3) 0.2382(3) 0.0889(3) Uani 1 1 d D . . . .
H22A H 0.880538 0.445176 0.216481 0.107 Uiso 1 1 calc R U . . .
H22B H 0.884483 0.495355 0.213171 0.107 Uiso 1 1 calc R U . . .
B1 B 0.2509(5) 0.35787(11) 0.49597(14) 0.0200(7) Uani 1 1 d . . . . .
H1 H 0.104576 0.366518 0.495736 0.024 Uiso 1 1 calc R U . . .
B2 B 0.5903(4) 0.36445(11) 0.44026(14) 0.0190(7) Uani 1 1 d . . . . .
H2A H 0.662963 0.377409 0.404199 0.023 Uiso 1 1 calc R U . . .
B3 B 0.3254(5) 0.30513(10) 0.48006(14) 0.0200(7) Uani 1 1 d . . . . .
H3A H 0.227549 0.279185 0.470218 0.024 Uiso 1 1 calc R U . . .
B4 B 0.5369(5) 0.30912(11) 0.44543(14) 0.0213(7) Uani 1 1 d . . . . .
H4 H 0.576758 0.285952 0.413222 0.026 Uiso 1 1 calc R U . . .
B5 B 0.6240(5) 0.38537(11) 0.50921(14) 0.0207(7) Uani 1 1 d . . . . .
H5A H 0.721056 0.411641 0.518187 0.025 Uiso 1 1 calc R U . . .
B6 B 0.4129(5) 0.38116(11) 0.54423(14) 0.0206(7) Uani 1 1 d . . . . .
H6A H 0.372266 0.404598 0.576026 0.025 Uiso 1 1 calc R U . . .
B7 B 0.3575(5) 0.32627(11) 0.54949(14) 0.0219(7) Uani 1 1 d . . . . .
H7 H 0.280572 0.313855 0.585014 0.026 Uiso 1 1 calc R U . . .
B8 B 0.6995(5) 0.33272(11) 0.49329(15) 0.0214(7) Uani 1 1 d . . . . .
H8 H 0.846214 0.324615 0.492281 0.026 Uiso 1 1 calc R U . . .
B9 B 0.5352(5) 0.29615(11) 0.51857(15) 0.0217(7) Uani 1 1 d . . . . .
H9 H 0.574670 0.264216 0.534202 0.026 Uiso 1 1 calc R U . . .
B10 B 0.5891(5) 0.34297(11) 0.55817(14) 0.0218(7) Uani 1 1 d . . . . .
H10A H 0.663673 0.341424 0.599244 0.026 Uiso 1 1 calc R U . . .
B11 B 0.1670(5) 0.68467(11) 0.21996(14) 0.0202(7) Uani 1 1 d . . . . .
H11A H 0.274598 0.665493 0.200662 0.024 Uiso 1 1 calc R U . . .
B12 B 0.0017(5) 0.71282(10) 0.32148(14) 0.0210(7) Uani 1 1 d . . . . .
H12 H 0.002910 0.712487 0.367835 0.025 Uiso 1 1 calc R U . . .
B13 B 0.2096(5) 0.71282(10) 0.28387(15) 0.0217(7) Uani 1 1 d . . . . .
H13A H 0.345284 0.712513 0.305721 0.026 Uiso 1 1 calc R U . . .
B14 B 0.1688(5) 0.74115(11) 0.21941(15) 0.0237(7) Uani 1 1 d . . . . .
H14A H 0.277780 0.759556 0.199590 0.028 Uiso 1 1 calc R U . . .
B15 B 0.0647(5) 0.75841(11) 0.28251(15) 0.0253(8) Uani 1 1 d . . . . .
H15 H 0.106574 0.788322 0.303691 0.030 Uiso 1 1 calc R U . . .
Br1 Br 0.73464(9) 0.47418(3) 0.29851(3) 0.0889(3) Uani 1 1 d D . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.388(4) . ?
C1 C2 1.404(5) . ?
C1 C1 1.478(6) 2 ?
C2 C3 1.388(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.391(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.390(4) . ?
C4 C7 1.505(4) . ?
C5 C6 1.392(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 B3 1.705(4) . ?
C7 B4 1.717(4) . ?
C7 C8 1.723(4) . ?
C7 B2 1.727(4) . ?
C7 B1 1.728(4) . ?
C8 C9 1.507(4) . ?
C8 B5 1.700(4) . ?
C8 B6 1.713(4) . ?
C8 B1 1.724(4) . ?
C8 B2 1.728(4) . ?
C9 C14 1.382(4) . ?
C9 C10 1.396(5) . ?
C10 C11 1.382(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.390(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.397(5) . ?
C12 C15 1.483(4) . ?
C13 C14 1.384(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.395(4) . ?
C15 C20 1.400(4) . ?
C16 C17 1.385(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.402(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.387(4) . ?
C18 C21 1.499(4) . ?
C19 C20 1.387(4) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 B12 1.706(4) . ?
C21 B13 1.714(4) . ?
C21 C21 1.721(6) 2 ?
C21 B11 1.731(4) 2 ?
C21 B11 1.733(4) . ?
C22 C22 1.503(14) 2_755 ?
C22 Br1 1.922(6) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
B1 B7 1.767(5) . ?
B1 B6 1.772(5) . ?
B1 B3 1.781(5) . ?
B1 H1 1.1000 . ?
B2 B8 1.769(5) . ?
B2 B5 1.771(5) . ?
B2 B4 1.779(5) . ?
B2 H2A 1.1000 . ?
B3 B9 1.775(5) . ?
B3 B4 1.777(5) . ?
B3 B7 1.783(5) . ?
B3 H3A 1.1000 . ?
B4 B8 1.773(5) . ?
B4 B9 1.783(5) . ?
B4 H4 1.1000 . ?
B5 B6 1.779(5) . ?
B5 B8 1.781(5) . ?
B5 B10 1.787(5) . ?
B5 H5A 1.1000 . ?
B6 B7 1.769(5) . ?
B6 B10 1.776(5) . ?
B6 H6A 1.1000 . ?
B7 B10 1.772(5) . ?
B7 B9 1.780(5) . ?
B7 H7 1.1000 . ?
B8 B9 1.776(5) . ?
B8 B10 1.792(5) . ?
B8 H8 1.1000 . ?
B9 B10 1.776(5) . ?
B9 H9 1.1000 . ?
B10 H10A 1.1000 . ?
B11 B14 1.766(5) . ?
B11 B13 1.771(5) . ?
B11 B12 1.780(5) 2 ?
B11 H11A 1.1000 . ?
B12 B15 1.769(5) . ?
B12 B14 1.785(5) 2 ?
B12 B13 1.786(5) . ?
B12 H12 1.1000 . ?
B13 B15 1.774(5) . ?
B13 B14 1.784(5) . ?
B13 H13A 1.1000 . ?
B14 B15 1.784(5) 2 ?
B14 B15 1.787(5) . ?
B14 H14A 1.1000 . ?
B15 B15 1.779(7) 2 ?
B15 H15 1.1000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 117.5(3) . . ?
C6 C1 C1 121.3(3) . 2 ?
C2 C1 C1 121.2(3) . 2 ?
C3 C2 C1 121.2(3) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C2 C3 C4 120.7(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 118.4(3) . . ?
C5 C4 C7 119.3(3) . . ?
C3 C4 C7 122.2(3) . . ?
C4 C5 C6 120.7(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 121.4(3) . . ?
C1 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C4 C7 B3 120.3(2) . . ?
C4 C7 B4 121.8(2) . . ?
B3 C7 B4 62.56(19) . . ?
C4 C7 C8 119.5(2) . . ?
B3 C7 C8 109.9(2) . . ?
B4 C7 C8 109.9(2) . . ?
C4 C7 B2 119.6(2) . . ?
B3 C7 B2 113.0(2) . . ?
B4 C7 B2 62.18(19) . . ?
C8 C7 B2 60.12(17) . . ?
C4 C7 B1 116.9(2) . . ?
B3 C7 B1 62.50(19) . . ?
B4 C7 B1 113.3(2) . . ?
C8 C7 B1 59.95(17) . . ?
B2 C7 B1 111.4(2) . . ?
C9 C8 B5 121.9(2) . . ?
C9 C8 B6 123.0(2) . . ?
B5 C8 B6 62.85(19) . . ?
C9 C8 C7 117.7(2) . . ?
B5 C8 C7 109.8(2) . . ?
B6 C8 C7 109.8(2) . . ?
C9 C8 B1 118.5(2) . . ?
B5 C8 B1 113.2(2) . . ?
B6 C8 B1 62.07(19) . . ?
C7 C8 B1 60.16(17) . . ?
C9 C8 B2 116.7(2) . . ?
B5 C8 B2 62.21(19) . . ?
B6 C8 B2 113.3(2) . . ?
C7 C8 B2 60.05(17) . . ?
B1 C8 B2 111.5(2) . . ?
C14 C9 C10 118.3(3) . . ?
C14 C9 C8 119.5(3) . . ?
C10 C9 C8 122.1(3) . . ?
C11 C10 C9 120.3(3) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 121.8(3) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C11 C12 C13 117.3(3) . . ?
C11 C12 C15 121.3(3) . . ?
C13 C12 C15 121.4(3) . . ?
C14 C13 C12 121.1(3) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C9 C14 C13 121.0(3) . . ?
C9 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C16 C15 C20 118.1(3) . . ?
C16 C15 C12 121.1(3) . . ?
C20 C15 C12 120.8(3) . . ?
C17 C16 C15 121.2(3) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C16 C17 C18 120.5(3) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C19 C18 C17 118.5(3) . . ?
C19 C18 C21 121.8(3) . . ?
C17 C18 C21 119.5(3) . . ?
C20 C19 C18 121.0(3) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C19 C20 C15 120.7(3) . . ?
C19 C20 H20 119.6 . . ?
C15 C20 H20 119.6 . . ?
C18 C21 B12 120.5(2) . . ?
C18 C21 B13 122.0(2) . . ?
B12 C21 B13 62.96(19) . . ?
C18 C21 C21 118.90(15) . 2 ?
B12 C21 C21 110.1(2) . 2 ?
B13 C21 C21 109.81(19) . 2 ?
C18 C21 B11 116.8(2) . 2 ?
B12 C21 B11 62.36(19) . 2 ?
B13 C21 B11 113.5(2) . 2 ?
C21 C21 B11 60.27(19) 2 2 ?
C18 C21 B11 119.3(2) . . ?
B12 C21 B11 113.1(2) . . ?
B13 C21 B11 61.84(19) . . ?
C21 C21 B11 60.17(19) 2 . ?
B11 C21 B11 111.6(2) 2 . ?
C22 C22 Br1 109.8(6) 2_755 . ?
C22 C22 H22A 109.7 2_755 . ?
Br1 C22 H22A 109.7 . . ?
C22 C22 H22B 109.7 2_755 . ?
Br1 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C8 B1 C7 59.89(17) . . ?
C8 B1 B7 105.5(2) . . ?
C7 B1 B7 105.6(2) . . ?
C8 B1 B6 58.64(18) . . ?
C7 B1 B6 106.9(2) . . ?
B7 B1 B6 60.0(2) . . ?
C8 B1 B3 106.3(2) . . ?
C7 B1 B3 58.11(18) . . ?
B7 B1 B3 60.33(19) . . ?
B6 B1 B3 108.4(2) . . ?
C8 B1 H1 123.2 . . ?
C7 B1 H1 123.1 . . ?
B7 B1 H1 122.8 . . ?
B6 B1 H1 121.7 . . ?
B3 B1 H1 122.0 . . ?
C7 B2 C8 59.83(17) . . ?
C7 B2 B8 105.4(2) . . ?
C8 B2 B8 105.5(2) . . ?
C7 B2 B5 106.3(2) . . ?
C8 B2 B5 58.11(18) . . ?
B8 B2 B5 60.40(19) . . ?
C7 B2 B4 58.62(18) . . ?
C8 B2 B4 106.8(2) . . ?
B8 B2 B4 59.96(19) . . ?
B5 B2 B4 108.6(2) . . ?
C7 B2 H2A 123.3 . . ?
C8 B2 H2A 123.2 . . ?
B8 B2 H2A 122.9 . . ?
B5 B2 H2A 121.9 . . ?
B4 B2 H2A 121.7 . . ?
C7 B3 B9 105.9(2) . . ?
C7 B3 B4 59.05(18) . . ?
B9 B3 B4 60.26(19) . . ?
C7 B3 B1 59.39(18) . . ?
B9 B3 B1 107.5(2) . . ?
B4 B3 B1 108.0(2) . . ?
C7 B3 B7 105.9(2) . . ?
B9 B3 B7 60.0(2) . . ?
B4 B3 B7 108.3(2) . . ?
B1 B3 B7 59.46(19) . . ?
C7 B3 H3A 123.6 . . ?
B9 B3 H3A 122.2 . . ?
B4 B3 H3A 121.3 . . ?
B1 B3 H3A 121.8 . . ?
B7 B3 H3A 122.2 . . ?
C7 B4 B8 105.7(2) . . ?
C7 B4 B3 58.39(18) . . ?
B8 B4 B3 107.7(2) . . ?
C7 B4 B2 59.20(18) . . ?
B8 B4 B2 59.76(19) . . ?
B3 B4 B2 107.2(2) . . ?
C7 B4 B9 105.1(2) . . ?
B8 B4 B9 59.91(19) . . ?
B3 B4 B9 59.83(19) . . ?
B2 B4 B9 107.3(2) . . ?
C7 B4 H4 124.1 . . ?
B8 B4 H4 122.1 . . ?
B3 B4 H4 122.0 . . ?
B2 B4 H4 121.9 . . ?
B9 B4 H4 122.5 . . ?
C8 B5 B2 59.68(18) . . ?
C8 B5 B6 58.92(18) . . ?
B2 B5 B6 108.1(2) . . ?
C8 B5 B8 106.2(2) . . ?
B2 B5 B8 59.75(19) . . ?
B6 B5 B8 108.0(2) . . ?
C8 B5 B10 105.7(2) . . ?
B2 B5 B10 108.0(2) . . ?
B6 B5 B10 59.73(19) . . ?
B8 B5 B10 60.3(2) . . ?
C8 B5 H5A 123.5 . . ?
B2 B5 H5A 121.4 . . ?
B6 B5 H5A 121.7 . . ?
B8 B5 H5A 122.0 . . ?
B10 B5 H5A 122.2 . . ?
C8 B6 B7 105.9(2) . . ?
C8 B6 B1 59.29(18) . . ?
B7 B6 B1 59.88(19) . . ?
C8 B6 B10 105.6(2) . . ?
B7 B6 B10 60.0(2) . . ?
B1 B6 B10 107.7(2) . . ?
C8 B6 B5 58.22(18) . . ?
B7 B6 B5 107.9(2) . . ?
B1 B6 B5 107.2(2) . . ?
B10 B6 B5 60.35(19) . . ?
C8 B6 H6A 123.9 . . ?
B7 B6 H6A 122.0 . . ?
B1 B6 H6A 121.8 . . ?
B10 B6 H6A 122.1 . . ?
B5 B6 H6A 122.0 . . ?
B1 B7 B6 60.15(19) . . ?
B1 B7 B10 108.1(2) . . ?
B6 B7 B10 60.2(2) . . ?
B1 B7 B9 107.9(2) . . ?
B6 B7 B9 108.2(2) . . ?
B10 B7 B9 60.0(2) . . ?
B1 B7 B3 60.21(19) . . ?
B6 B7 B3 108.5(2) . . ?
B10 B7 B3 108.0(2) . . ?
B9 B7 B3 59.77(19) . . ?
B1 B7 H7 121.7 . . ?
B6 B7 H7 121.4 . . ?
B10 B7 H7 121.7 . . ?
B9 B7 H7 121.8 . . ?
B3 B7 H7 121.6 . . ?
B2 B8 B4 60.28(19) . . ?
B2 B8 B9 108.0(2) . . ?
B4 B8 B9 60.33(19) . . ?
B2 B8 B5 59.85(19) . . ?
B4 B8 B5 108.4(2) . . ?
B9 B8 B5 107.8(2) . . ?
B2 B8 B10 107.8(2) . . ?
B4 B8 B10 108.3(2) . . ?
B9 B8 B10 59.72(19) . . ?
B5 B8 B10 60.03(19) . . ?
B2 B8 H8 121.8 . . ?
B4 B8 H8 121.2 . . ?
B9 B8 H8 121.8 . . ?
B5 B8 H8 121.7 . . ?
B10 B8 H8 121.8 . . ?
B3 B9 B8 107.6(2) . . ?
B3 B9 B10 108.2(2) . . ?
B8 B9 B10 60.59(19) . . ?
B3 B9 B7 60.18(19) . . ?
B8 B9 B7 107.9(2) . . ?
B10 B9 B7 59.8(2) . . ?
B3 B9 B4 59.90(19) . . ?
B8 B9 B4 59.76(19) . . ?
B10 B9 B4 108.6(2) . . ?
B7 B9 B4 108.1(2) . . ?
B3 B9 H9 121.8 . . ?
B8 B9 H9 121.8 . . ?
B10 B9 H9 121.3 . . ?
B7 B9 H9 121.8 . . ?
B4 B9 H9 121.6 . . ?
B7 B10 B9 60.2(2) . . ?
B7 B10 B6 59.8(2) . . ?
B9 B10 B6 108.1(2) . . ?
B7 B10 B5 107.5(2) . . ?
B9 B10 B5 107.5(2) . . ?
B6 B10 B5 59.92(19) . . ?
B7 B10 B8 107.6(2) . . ?
B9 B10 B8 59.69(19) . . ?
B6 B10 B8 107.7(2) . . ?
B5 B10 B8 59.69(19) . . ?
B7 B10 H10A 121.9 . . ?
B9 B10 H10A 121.7 . . ?
B6 B10 H10A 121.7 . . ?
B5 B10 H10A 122.1 . . ?
B8 B10 H10A 122.1 . . ?
C21 B11 C21 59.6(2) 2 . ?
C21 B11 B14 105.7(2) 2 . ?
C21 B11 B14 105.8(2) . . ?
C21 B11 B13 106.7(2) 2 . ?
C21 B11 B13 58.55(18) . . ?
B14 B11 B13 60.56(19) . . ?
C21 B11 B12 58.12(18) 2 2 ?
C21 B11 B12 106.2(2) . 2 ?
B14 B11 B12 60.4(2) . 2 ?
B13 B11 B12 108.9(2) . 2 ?
C21 B11 H11A 123.4 2 . ?
C21 B11 H11A 123.3 . . ?
B14 B11 H11A 122.5 . . ?
B13 B11 H11A 121.5 . . ?
B12 B11 H11A 121.9 2 . ?
C21 B12 B15 105.3(2) . . ?
C21 B12 B11 59.52(18) . 2 ?
B15 B12 B11 107.3(2) . 2 ?
C21 B12 B14 106.0(2) . 2 ?
B15 B12 B14 60.3(2) . 2 ?
B11 B12 B14 59.4(2) 2 2 ?
C21 B12 B13 58.74(18) . . ?
B15 B12 B13 59.9(2) . . ?
B11 B12 B13 107.8(2) 2 . ?
B14 B12 B13 108.4(2) 2 . ?
C21 B12 H12 123.8 . . ?
B15 B12 H12 122.5 . . ?
B11 B12 H12 121.9 2 . ?
B14 B12 H12 121.9 2 . ?
B13 B12 H12 121.6 . . ?
C21 B13 B11 59.61(18) . . ?
C21 B13 B15 104.7(2) . . ?
B11 B13 B15 107.3(3) . . ?
C21 B13 B14 105.9(2) . . ?
B11 B13 B14 59.58(19) . . ?
B15 B13 B14 60.3(2) . . ?
C21 B13 B12 58.30(18) . . ?
B11 B13 B12 107.6(2) . . ?
B15 B13 B12 59.6(2) . . ?
B14 B13 B12 108.1(3) . . ?
C21 B13 H13A 124.1 . . ?
B11 B13 H13A 121.8 . . ?
B15 B13 H13A 122.7 . . ?
B14 B13 H13A 121.9 . . ?
B12 B13 H13A 121.9 . . ?
B11 B14 B13 59.87(18) . . ?
B11 B14 B15 107.2(2) . 2 ?
B13 B14 B15 107.6(2) . 2 ?
B11 B14 B12 60.16(19) . 2 ?
B13 B14 B12 108.1(2) . 2 ?
B15 B14 B12 59.4(2) 2 2 ?
B11 B14 B15 107.0(2) . . ?
B13 B14 B15 59.6(2) . . ?
B15 B14 B15 59.8(2) 2 . ?
B12 B14 B15 107.3(3) 2 . ?
B11 B14 H14A 122.1 . . ?
B13 B14 H14A 121.7 . . ?
B15 B14 H14A 122.2 2 . ?
B12 B14 H14A 121.8 2 . ?
B15 B14 H14A 122.4 . . ?
B12 B15 B13 60.5(2) . . ?
B12 B15 B15 108.3(2) . 2 ?
B13 B15 B15 108.2(2) . 2 ?
B12 B15 B14 60.3(2) . 2 ?
B13 B15 B14 108.9(2) . 2 ?
B15 B15 B14 60.2(2) 2 2 ?
B12 B15 B14 108.7(2) . . ?
B13 B15 B14 60.1(2) . . ?
B15 B15 B14 60.1(2) 2 . ?
B14 B15 B14 108.7(2) 2 . ?
B12 B15 H15 121.3 . . ?
B13 B15 H15 121.3 . . ?
B15 B15 H15 121.7 2 . ?
B14 B15 H15 121.2 2 . ?
B14 B15 H15 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
C6 C1 C2 C3 -0.2(5) . . . . ?
C1 C1 C2 C3 -178.8(2) 2 . . . ?
C1 C2 C3 C4 0.7(5) . . . . ?
C2 C3 C4 C5 -0.4(5) . . . . ?
C2 C3 C4 C7 176.1(3) . . . . ?
C3 C4 C5 C6 -0.5(5) . . . . ?
C7 C4 C5 C6 -177.1(3) . . . . ?
C2 C1 C6 C5 -0.6(5) . . . . ?
C1 C1 C6 C5 178.0(3) 2 . . . ?
C4 C5 C6 C1 1.0(5) . . . . ?
C5 C4 C7 B3 36.2(4) . . . . ?
C3 C4 C7 B3 -140.3(3) . . . . ?
C5 C4 C7 B4 110.8(3) . . . . ?
C3 C4 C7 B4 -65.7(4) . . . . ?
C5 C4 C7 C8 -105.2(3) . . . . ?
C3 C4 C7 C8 78.4(4) . . . . ?
C5 C4 C7 B2 -175.5(3) . . . . ?
C3 C4 C7 B2 8.1(4) . . . . ?
C5 C4 C7 B1 -36.1(4) . . . . ?
C3 C4 C7 B1 147.4(3) . . . . ?
C4 C7 C8 C9 -2.8(4) . . . . ?
B3 C7 C8 C9 -147.8(3) . . . . ?
B4 C7 C8 C9 145.2(3) . . . . ?
B2 C7 C8 C9 106.5(3) . . . . ?
B1 C7 C8 C9 -108.7(3) . . . . ?
C4 C7 C8 B5 -148.1(3) . . . . ?
B3 C7 C8 B5 66.9(3) . . . . ?
B4 C7 C8 B5 -0.1(3) . . . . ?
B2 C7 C8 B5 -38.8(2) . . . . ?
B1 C7 C8 B5 106.0(2) . . . . ?
C4 C7 C8 B6 144.6(3) . . . . ?
B3 C7 C8 B6 -0.4(3) . . . . ?
B4 C7 C8 B6 -67.4(3) . . . . ?
B2 C7 C8 B6 -106.1(2) . . . . ?
B1 C7 C8 B6 38.7(2) . . . . ?
C4 C7 C8 B1 105.9(3) . . . . ?
B3 C7 C8 B1 -39.1(2) . . . . ?
B4 C7 C8 B1 -106.1(2) . . . . ?
B2 C7 C8 B1 -144.8(2) . . . . ?
C4 C7 C8 B2 -109.2(3) . . . . ?
B3 C7 C8 B2 105.7(2) . . . . ?
B4 C7 C8 B2 38.7(2) . . . . ?
B1 C7 C8 B2 144.8(2) . . . . ?
B5 C8 C9 C14 30.0(4) . . . . ?
B6 C8 C9 C14 106.3(3) . . . . ?
C7 C8 C9 C14 -110.9(3) . . . . ?
B1 C8 C9 C14 179.9(3) . . . . ?
B2 C8 C9 C14 -42.4(4) . . . . ?
B5 C8 C9 C10 -150.3(3) . . . . ?
B6 C8 C9 C10 -74.0(4) . . . . ?
C7 C8 C9 C10 68.8(4) . . . . ?
B1 C8 C9 C10 -0.4(4) . . . . ?
B2 C8 C9 C10 137.3(3) . . . . ?
C14 C9 C10 C11 1.8(5) . . . . ?
C8 C9 C10 C11 -177.8(3) . . . . ?
C9 C10 C11 C12 0.0(6) . . . . ?
C10 C11 C12 C13 -2.4(5) . . . . ?
C10 C11 C12 C15 175.9(3) . . . . ?
C11 C12 C13 C14 3.0(5) . . . . ?
C15 C12 C13 C14 -175.3(3) . . . . ?
C10 C9 C14 C13 -1.2(5) . . . . ?
C8 C9 C14 C13 178.4(3) . . . . ?
C12 C13 C14 C9 -1.2(5) . . . . ?
C11 C12 C15 C16 33.5(5) . . . . ?
C13 C12 C15 C16 -148.3(3) . . . . ?
C11 C12 C15 C20 -145.8(3) . . . . ?
C13 C12 C15 C20 32.4(5) . . . . ?
C20 C15 C16 C17 -0.1(5) . . . . ?
C12 C15 C16 C17 -179.4(3) . . . . ?
C15 C16 C17 C18 0.5(5) . . . . ?
C16 C17 C18 C19 -0.3(5) . . . . ?
C16 C17 C18 C21 -175.4(3) . . . . ?
C17 C18 C19 C20 -0.3(5) . . . . ?
C21 C18 C19 C20 174.7(3) . . . . ?
C18 C19 C20 C15 0.7(5) . . . . ?
C16 C15 C20 C19 -0.4(5) . . . . ?
C12 C15 C20 C19 178.9(3) . . . . ?
C19 C18 C21 B12 -132.8(3) . . . . ?
C17 C18 C21 B12 42.1(4) . . . . ?
C19 C18 C21 B13 -57.5(4) . . . . ?
C17 C18 C21 B13 117.4(3) . . . . ?
C19 C18 C21 C21 85.9(4) . . . 2 ?
C17 C18 C21 C21 -99.3(4) . . . 2 ?
C19 C18 C21 B11 155.0(3) . . . 2 ?
C17 C18 C21 B11 -30.1(4) . . . 2 ?
C19 C18 C21 B11 15.8(4) . . . . ?
C17 C18 C21 B11 -169.3(3) . . . . ?
C9 C8 B1 C7 107.3(3) . . . . ?
B5 C8 B1 C7 -100.3(2) . . . . ?
B6 C8 B1 C7 -138.2(2) . . . . ?
B2 C8 B1 C7 -32.4(2) . . . . ?
C9 C8 B1 B7 -153.4(2) . . . . ?
B5 C8 B1 B7 -1.0(3) . . . . ?
B6 C8 B1 B7 -39.0(2) . . . . ?
C7 C8 B1 B7 99.3(2) . . . . ?
B2 C8 B1 B7 66.8(3) . . . . ?
C9 C8 B1 B6 -114.4(3) . . . . ?
B5 C8 B1 B6 37.9(2) . . . . ?
C7 C8 B1 B6 138.2(2) . . . . ?
B2 C8 B1 B6 105.8(2) . . . . ?
C9 C8 B1 B3 143.6(3) . . . . ?
B5 C8 B1 B3 -64.0(3) . . . . ?
B6 C8 B1 B3 -102.0(3) . . . . ?
C7 C8 B1 B3 36.3(2) . . . . ?
B2 C8 B1 B3 3.8(3) . . . . ?
C4 C7 B1 C8 -110.1(3) . . . . ?
B3 C7 B1 C8 138.0(2) . . . . ?
B4 C7 B1 C8 100.3(2) . . . . ?
B2 C7 B1 C8 32.4(2) . . . . ?
C4 C7 B1 B7 150.8(2) . . . . ?
B3 C7 B1 B7 38.9(2) . . . . ?
B4 C7 B1 B7 1.1(3) . . . . ?
C8 C7 B1 B7 -99.2(2) . . . . ?
B2 C7 B1 B7 -66.7(3) . . . . ?
C4 C7 B1 B6 -146.5(2) . . . . ?
B3 C7 B1 B6 101.6(3) . . . . ?
B4 C7 B1 B6 63.8(3) . . . . ?
C8 C7 B1 B6 -36.5(2) . . . . ?
B2 C7 B1 B6 -4.0(3) . . . . ?
C4 C7 B1 B3 111.9(3) . . . . ?
B4 C7 B1 B3 -37.8(2) . . . . ?
C8 C7 B1 B3 -138.0(2) . . . . ?
B2 C7 B1 B3 -105.6(3) . . . . ?
C4 C7 B2 C8 109.0(3) . . . . ?
B3 C7 B2 C8 -100.5(2) . . . . ?
B4 C7 B2 C8 -138.3(2) . . . . ?
B1 C7 B2 C8 -32.4(2) . . . . ?
C4 C7 B2 B8 -151.8(2) . . . . ?
B3 C7 B2 B8 -1.3(3) . . . . ?
B4 C7 B2 B8 -39.1(2) . . . . ?
C8 C7 B2 B8 99.2(2) . . . . ?
B1 C7 B2 B8 66.9(3) . . . . ?
C4 C7 B2 B5 145.2(3) . . . . ?
B3 C7 B2 B5 -64.3(3) . . . . ?
B4 C7 B2 B5 -102.2(2) . . . . ?
C8 C7 B2 B5 36.2(2) . . . . ?
B1 C7 B2 B5 3.8(3) . . . . ?
C4 C7 B2 B4 -112.7(3) . . . . ?
B3 C7 B2 B4 37.8(2) . . . . ?
C8 C7 B2 B4 138.3(2) . . . . ?
B1 C7 B2 B4 106.0(2) . . . . ?
C9 C8 B2 C7 -108.1(3) . . . . ?
B5 C8 B2 C7 138.2(2) . . . . ?
B6 C8 B2 C7 100.2(2) . . . . ?
B1 C8 B2 C7 32.5(2) . . . . ?
C9 C8 B2 B8 152.9(2) . . . . ?
B5 C8 B2 B8 39.1(2) . . . . ?
B6 C8 B2 B8 1.2(3) . . . . ?
C7 C8 B2 B8 -99.1(2) . . . . ?
B1 C8 B2 B8 -66.6(3) . . . . ?
C9 C8 B2 B5 113.8(3) . . . . ?
B6 C8 B2 B5 -38.0(2) . . . . ?
C7 C8 B2 B5 -138.2(2) . . . . ?
B1 C8 B2 B5 -105.7(2) . . . . ?
C9 C8 B2 B4 -144.4(3) . . . . ?
B5 C8 B2 B4 101.8(2) . . . . ?
B6 C8 B2 B4 63.8(3) . . . . ?
C7 C8 B2 B4 -36.4(2) . . . . ?
B1 C8 B2 B4 -3.9(3) . . . . ?
C4 C7 B3 B9 152.0(3) . . . . ?
B4 C7 B3 B9 39.4(2) . . . . ?
C8 C7 B3 B9 -63.3(3) . . . . ?
B2 C7 B3 B9 1.8(3) . . . . ?
B1 C7 B3 B9 -101.2(2) . . . . ?
C4 C7 B3 B4 112.6(3) . . . . ?
C8 C7 B3 B4 -102.7(2) . . . . ?
B2 C7 B3 B4 -37.7(2) . . . . ?
B1 C7 B3 B4 -140.7(2) . . . . ?
C4 C7 B3 B1 -106.7(3) . . . . ?
B4 C7 B3 B1 140.7(2) . . . . ?
C8 C7 B3 B1 38.0(2) . . . . ?
B2 C7 B3 B1 103.0(3) . . . . ?
C4 C7 B3 B7 -145.3(3) . . . . ?
B4 C7 B3 B7 102.1(3) . . . . ?
C8 C7 B3 B7 -0.6(3) . . . . ?
B2 C7 B3 B7 64.5(3) . . . . ?
B1 C7 B3 B7 -38.5(2) . . . . ?
C8 B1 B3 C7 -37.1(2) . . . . ?
B7 B1 B3 C7 -135.9(2) . . . . ?
B6 B1 B3 C7 -98.8(2) . . . . ?
C8 B1 B3 B9 61.4(3) . . . . ?
C7 B1 B3 B9 98.5(2) . . . . ?
B7 B1 B3 B9 -37.4(2) . . . . ?
B6 B1 B3 B9 -0.3(3) . . . . ?
C8 B1 B3 B4 -2.2(3) . . . . ?
C7 B1 B3 B4 34.8(2) . . . . ?
B7 B1 B3 B4 -101.1(3) . . . . ?
B6 B1 B3 B4 -63.9(3) . . . . ?
C8 B1 B3 B7 98.8(3) . . . . ?
C7 B1 B3 B7 135.9(2) . . . . ?
B6 B1 B3 B7 37.1(2) . . . . ?
C4 C7 B4 B8 148.3(3) . . . . ?
B3 C7 B4 B8 -101.4(2) . . . . ?
C8 C7 B4 B8 1.3(3) . . . . ?
B2 C7 B4 B8 39.1(2) . . . . ?
B1 C7 B4 B8 -63.7(3) . . . . ?
C4 C7 B4 B3 -110.3(3) . . . . ?
C8 C7 B4 B3 102.7(2) . . . . ?
B2 C7 B4 B3 140.5(2) . . . . ?
B1 C7 B4 B3 37.7(2) . . . . ?
C4 C7 B4 B2 109.3(3) . . . . ?
B3 C7 B4 B2 -140.5(2) . . . . ?
C8 C7 B4 B2 -37.8(2) . . . . ?
B1 C7 B4 B2 -102.7(2) . . . . ?
C4 C7 B4 B9 -149.3(3) . . . . ?
B3 C7 B4 B9 -39.0(2) . . . . ?
C8 C7 B4 B9 63.6(3) . . . . ?
B2 C7 B4 B9 101.4(2) . . . . ?
B1 C7 B4 B9 -1.3(3) . . . . ?
B9 B3 B4 C7 -135.3(2) . . . . ?
B1 B3 B4 C7 -35.0(2) . . . . ?
B7 B3 B4 C7 -97.9(2) . . . . ?
C7 B3 B4 B8 97.9(2) . . . . ?
B9 B3 B4 B8 -37.4(2) . . . . ?
B1 B3 B4 B8 62.9(3) . . . . ?
B7 B3 B4 B8 0.0(3) . . . . ?
C7 B3 B4 B2 34.9(2) . . . . ?
B9 B3 B4 B2 -100.4(3) . . . . ?
B1 B3 B4 B2 -0.1(3) . . . . ?
B7 B3 B4 B2 -63.0(3) . . . . ?
C7 B3 B4 B9 135.3(2) . . . . ?
B1 B3 B4 B9 100.3(3) . . . . ?
B7 B3 B4 B9 37.4(2) . . . . ?
C8 B2 B4 C7 36.9(2) . . . . ?
B8 B2 B4 C7 135.4(2) . . . . ?
B5 B2 B4 C7 98.2(2) . . . . ?
C7 B2 B4 B8 -135.4(2) . . . . ?
C8 B2 B4 B8 -98.5(2) . . . . ?
B5 B2 B4 B8 -37.2(2) . . . . ?
C7 B2 B4 B3 -34.6(2) . . . . ?
C8 B2 B4 B3 2.4(3) . . . . ?
B8 B2 B4 B3 100.8(3) . . . . ?
B5 B2 B4 B3 63.6(3) . . . . ?
C7 B2 B4 B9 -97.5(2) . . . . ?
C8 B2 B4 B9 -60.6(3) . . . . ?
B8 B2 B4 B9 37.9(2) . . . . ?
B5 B2 B4 B9 0.7(3) . . . . ?
C9 C8 B5 B2 -105.7(3) . . . . ?
B6 C8 B5 B2 140.6(2) . . . . ?
C7 C8 B5 B2 37.9(2) . . . . ?
B1 C8 B5 B2 103.0(2) . . . . ?
C9 C8 B5 B6 113.7(3) . . . . ?
C7 C8 B5 B6 -102.7(2) . . . . ?
B1 C8 B5 B6 -37.6(2) . . . . ?
B2 C8 B5 B6 -140.6(2) . . . . ?
C9 C8 B5 B8 -144.7(3) . . . . ?
B6 C8 B5 B8 101.6(3) . . . . ?
C7 C8 B5 B8 -1.1(3) . . . . ?
B1 C8 B5 B8 64.0(3) . . . . ?
B2 C8 B5 B8 -39.0(2) . . . . ?
C9 C8 B5 B10 152.4(3) . . . . ?
B6 C8 B5 B10 38.7(2) . . . . ?
C7 C8 B5 B10 -64.0(3) . . . . ?
B1 C8 B5 B10 1.0(3) . . . . ?
B2 C8 B5 B10 -101.9(2) . . . . ?
C7 B2 B5 C8 -36.9(2) . . . . ?
B8 B2 B5 C8 -135.6(2) . . . . ?
B4 B2 B5 C8 -98.6(2) . . . . ?
C7 B2 B5 B6 -2.0(3) . . . . ?
C8 B2 B5 B6 34.9(2) . . . . ?
B8 B2 B5 B6 -100.7(3) . . . . ?
B4 B2 B5 B6 -63.8(3) . . . . ?
C7 B2 B5 B8 98.7(2) . . . . ?
C8 B2 B5 B8 135.6(2) . . . . ?
B4 B2 B5 B8 37.0(2) . . . . ?
C7 B2 B5 B10 61.1(3) . . . . ?
C8 B2 B5 B10 98.0(3) . . . . ?
B8 B2 B5 B10 -37.6(2) . . . . ?
B4 B2 B5 B10 -0.6(3) . . . . ?
C9 C8 B6 B7 146.5(3) . . . . ?
B5 C8 B6 B7 -101.5(3) . . . . ?
C7 C8 B6 B7 1.2(3) . . . . ?
B1 C8 B6 B7 39.0(2) . . . . ?
B2 C8 B6 B7 -63.8(3) . . . . ?
C9 C8 B6 B1 107.4(3) . . . . ?
B5 C8 B6 B1 -140.6(2) . . . . ?
C7 C8 B6 B1 -37.9(2) . . . . ?
B2 C8 B6 B1 -102.9(2) . . . . ?
C9 C8 B6 B10 -150.9(3) . . . . ?
B5 C8 B6 B10 -38.9(2) . . . . ?
C7 C8 B6 B10 63.7(3) . . . . ?
B1 C8 B6 B10 101.6(2) . . . . ?
B2 C8 B6 B10 -1.3(3) . . . . ?
C9 C8 B6 B5 -112.0(3) . . . . ?
C7 C8 B6 B5 102.7(2) . . . . ?
B1 C8 B6 B5 140.6(2) . . . . ?
B2 C8 B6 B5 37.7(2) . . . . ?
C7 B1 B6 C8 37.0(2) . . . . ?
B7 B1 B6 C8 135.6(2) . . . . ?
B3 B1 B6 C8 98.3(2) . . . . ?
C8 B1 B6 B7 -135.6(2) . . . . ?
C7 B1 B6 B7 -98.5(2) . . . . ?
B3 B1 B6 B7 -37.3(2) . . . . ?
C8 B1 B6 B10 -98.0(2) . . . . ?
C7 B1 B6 B10 -61.0(3) . . . . ?
B7 B1 B6 B10 37.5(2) . . . . ?
B3 B1 B6 B10 0.3(3) . . . . ?
C8 B1 B6 B5 -34.4(2) . . . . ?
C7 B1 B6 B5 2.6(3) . . . . ?
B7 B1 B6 B5 101.1(3) . . . . ?
B3 B1 B6 B5 63.9(3) . . . . ?
B2 B5 B6 C8 -35.2(2) . . . . ?
B8 B5 B6 C8 -98.4(2) . . . . ?
B10 B5 B6 C8 -135.9(2) . . . . ?
C8 B5 B6 B7 98.0(2) . . . . ?
B2 B5 B6 B7 62.8(3) . . . . ?
B8 B5 B6 B7 -0.4(3) . . . . ?
B10 B5 B6 B7 -37.9(2) . . . . ?
C8 B5 B6 B1 34.9(2) . . . . ?
B2 B5 B6 B1 -0.3(3) . . . . ?
B8 B5 B6 B1 -63.5(3) . . . . ?
B10 B5 B6 B1 -101.0(3) . . . . ?
C8 B5 B6 B10 135.9(2) . . . . ?
B2 B5 B6 B10 100.7(3) . . . . ?
B8 B5 B6 B10 37.5(2) . . . . ?
C8 B1 B7 B6 38.4(2) . . . . ?
C7 B1 B7 B6 100.8(2) . . . . ?
B3 B1 B7 B6 138.6(3) . . . . ?
C8 B1 B7 B10 0.6(3) . . . . ?
C7 B1 B7 B10 63.0(3) . . . . ?
B6 B1 B7 B10 -37.8(2) . . . . ?
B3 B1 B7 B10 100.8(3) . . . . ?
C8 B1 B7 B9 -62.8(3) . . . . ?
C7 B1 B7 B9 -0.4(3) . . . . ?
B6 B1 B7 B9 -101.2(3) . . . . ?
B3 B1 B7 B9 37.4(2) . . . . ?
C8 B1 B7 B3 -100.2(2) . . . . ?
C7 B1 B7 B3 -37.8(2) . . . . ?
B6 B1 B7 B3 -138.6(3) . . . . ?
C8 B6 B7 B1 -38.8(2) . . . . ?
B10 B6 B7 B1 -137.9(2) . . . . ?
B5 B6 B7 B1 -99.9(3) . . . . ?
C8 B6 B7 B10 99.1(2) . . . . ?
B1 B6 B7 B10 137.9(2) . . . . ?
B5 B6 B7 B10 38.0(2) . . . . ?
C8 B6 B7 B9 61.8(3) . . . . ?
B1 B6 B7 B9 100.6(3) . . . . ?
B10 B6 B7 B9 -37.3(2) . . . . ?
B5 B6 B7 B9 0.7(3) . . . . ?
C8 B6 B7 B3 -1.5(3) . . . . ?
B1 B6 B7 B3 37.3(2) . . . . ?
B10 B6 B7 B3 -100.7(3) . . . . ?
B5 B6 B7 B3 -62.6(3) . . . . ?
C7 B3 B7 B1 38.5(2) . . . . ?
B9 B3 B7 B1 138.0(2) . . . . ?
B4 B3 B7 B1 100.5(2) . . . . ?
C7 B3 B7 B6 1.3(3) . . . . ?
B9 B3 B7 B6 100.8(3) . . . . ?
B4 B3 B7 B6 63.3(3) . . . . ?
B1 B3 B7 B6 -37.2(2) . . . . ?
C7 B3 B7 B10 -62.5(3) . . . . ?
B9 B3 B7 B10 37.0(2) . . . . ?
B4 B3 B7 B10 -0.5(3) . . . . ?
B1 B3 B7 B10 -101.0(3) . . . . ?
C7 B3 B7 B9 -99.5(2) . . . . ?
B4 B3 B7 B9 -37.5(2) . . . . ?
B1 B3 B7 B9 -138.0(2) . . . . ?
C7 B2 B8 B4 38.5(2) . . . . ?
C8 B2 B8 B4 100.8(2) . . . . ?
B5 B2 B8 B4 138.8(2) . . . . ?
C7 B2 B8 B9 0.2(3) . . . . ?
C8 B2 B8 B9 62.5(3) . . . . ?
B5 B2 B8 B9 100.6(3) . . . . ?
B4 B2 B8 B9 -38.2(2) . . . . ?
C7 B2 B8 B5 -100.3(2) . . . . ?
C8 B2 B8 B5 -38.0(2) . . . . ?
B4 B2 B8 B5 -138.8(2) . . . . ?
C7 B2 B8 B10 -62.9(3) . . . . ?
C8 B2 B8 B10 -0.6(3) . . . . ?
B5 B2 B8 B10 37.5(2) . . . . ?
B4 B2 B8 B10 -101.3(3) . . . . ?
C7 B4 B8 B2 -38.8(2) . . . . ?
B3 B4 B8 B2 -100.0(2) . . . . ?
B9 B4 B8 B2 -137.4(2) . . . . ?
C7 B4 B8 B9 98.6(2) . . . . ?
B3 B4 B8 B9 37.4(2) . . . . ?
B2 B4 B8 B9 137.4(2) . . . . ?
C7 B4 B8 B5 -1.9(3) . . . . ?
B3 B4 B8 B5 -63.1(3) . . . . ?
B2 B4 B8 B5 36.9(2) . . . . ?
B9 B4 B8 B5 -100.5(3) . . . . ?
C7 B4 B8 B10 61.7(3) . . . . ?
B3 B4 B8 B10 0.5(3) . . . . ?
B2 B4 B8 B10 100.5(3) . . . . ?
B9 B4 B8 B10 -36.9(2) . . . . ?
C8 B5 B8 B2 38.9(2) . . . . ?
B6 B5 B8 B2 100.9(3) . . . . ?
B10 B5 B8 B2 138.1(3) . . . . ?
C8 B5 B8 B4 1.9(3) . . . . ?
B2 B5 B8 B4 -37.1(2) . . . . ?
B6 B5 B8 B4 63.8(3) . . . . ?
B10 B5 B8 B4 101.0(3) . . . . ?
C8 B5 B8 B9 -62.0(3) . . . . ?
B2 B5 B8 B9 -100.9(3) . . . . ?
B6 B5 B8 B9 -0.1(3) . . . . ?
B10 B5 B8 B9 37.2(2) . . . . ?
C8 B5 B8 B10 -99.1(3) . . . . ?
B2 B5 B8 B10 -138.1(3) . . . . ?
B6 B5 B8 B10 -37.2(2) . . . . ?
C7 B3 B9 B8 -1.5(3) . . . . ?
B4 B3 B9 B8 37.3(2) . . . . ?
B1 B3 B9 B8 -63.8(3) . . . . ?
B7 B3 B9 B8 -101.0(3) . . . . ?
C7 B3 B9 B10 62.5(3) . . . . ?
B4 B3 B9 B10 101.4(3) . . . . ?
B1 B3 B9 B10 0.2(3) . . . . ?
B7 B3 B9 B10 -36.9(2) . . . . ?
C7 B3 B9 B7 99.4(2) . . . . ?
B4 B3 B9 B7 138.3(2) . . . . ?
B1 B3 B9 B7 37.2(2) . . . . ?
C7 B3 B9 B4 -38.9(2) . . . . ?
B1 B3 B9 B4 -101.1(2) . . . . ?
B7 B3 B9 B4 -138.3(2) . . . . ?
B2 B8 B9 B3 0.8(3) . . . . ?
B4 B8 B9 B3 -37.4(2) . . . . ?
B5 B8 B9 B3 64.0(3) . . . . ?
B10 B8 B9 B3 101.3(3) . . . . ?
B2 B8 B9 B10 -100.5(3) . . . . ?
B4 B8 B9 B10 -138.7(2) . . . . ?
B5 B8 B9 B10 -37.3(2) . . . . ?
B2 B8 B9 B7 -62.7(3) . . . . ?
B4 B8 B9 B7 -101.0(3) . . . . ?
B5 B8 B9 B7 0.5(3) . . . . ?
B10 B8 B9 B7 37.8(2) . . . . ?
B2 B8 B9 B4 38.2(2) . . . . ?
B5 B8 B9 B4 101.5(3) . . . . ?
B10 B8 B9 B4 138.7(2) . . . . ?
B1 B7 B9 B3 -37.6(2) . . . . ?
B6 B7 B9 B3 -101.2(3) . . . . ?
B10 B7 B9 B3 -138.6(2) . . . . ?
B1 B7 B9 B8 62.9(3) . . . . ?
B6 B7 B9 B8 -0.8(3) . . . . ?
B10 B7 B9 B8 -38.2(2) . . . . ?
B3 B7 B9 B8 100.5(2) . . . . ?
B1 B7 B9 B10 101.0(3) . . . . ?
B6 B7 B9 B10 37.4(2) . . . . ?
B3 B7 B9 B10 138.6(2) . . . . ?
B1 B7 B9 B4 -0.3(3) . . . . ?
B6 B7 B9 B4 -63.9(3) . . . . ?
B10 B7 B9 B4 -101.4(3) . . . . ?
B3 B7 B9 B4 37.3(2) . . . . ?
C7 B4 B9 B3 38.4(2) . . . . ?
B8 B4 B9 B3 138.0(2) . . . . ?
B2 B4 B9 B3 100.2(2) . . . . ?
C7 B4 B9 B8 -99.7(2) . . . . ?
B3 B4 B9 B8 -138.0(2) . . . . ?
B2 B4 B9 B8 -37.8(2) . . . . ?
C7 B4 B9 B10 -62.4(3) . . . . ?
B8 B4 B9 B10 37.3(2) . . . . ?
B3 B4 B9 B10 -100.7(3) . . . . ?
B2 B4 B9 B10 -0.5(3) . . . . ?
C7 B4 B9 B7 1.0(3) . . . . ?
B8 B4 B9 B7 100.6(3) . . . . ?
B3 B4 B9 B7 -37.4(2) . . . . ?
B2 B4 B9 B7 62.8(3) . . . . ?
B1 B7 B10 B9 -100.6(3) . . . . ?
B6 B7 B10 B9 -138.3(2) . . . . ?
B3 B7 B10 B9 -36.9(2) . . . . ?
B1 B7 B10 B6 37.7(2) . . . . ?
B9 B7 B10 B6 138.3(2) . . . . ?
B3 B7 B10 B6 101.4(3) . . . . ?
B1 B7 B10 B5 0.0(3) . . . . ?
B6 B7 B10 B5 -37.7(2) . . . . ?
B9 B7 B10 B5 100.6(3) . . . . ?
B3 B7 B10 B5 63.7(3) . . . . ?
B1 B7 B10 B8 -62.9(3) . . . . ?
B6 B7 B10 B8 -100.6(2) . . . . ?
B9 B7 B10 B8 37.7(2) . . . . ?
B3 B7 B10 B8 0.8(3) . . . . ?
B3 B9 B10 B7 37.1(2) . . . . ?
B8 B9 B10 B7 137.6(2) . . . . ?
B4 B9 B10 B7 100.6(3) . . . . ?
B3 B9 B10 B6 -0.1(3) . . . . ?
B8 B9 B10 B6 100.3(3) . . . . ?
B7 B9 B10 B6 -37.2(2) . . . . ?
B4 B9 B10 B6 63.4(3) . . . . ?
B3 B9 B10 B5 -63.4(3) . . . . ?
B8 B9 B10 B5 37.1(2) . . . . ?
B7 B9 B10 B5 -100.5(3) . . . . ?
B4 B9 B10 B5 0.1(3) . . . . ?
B3 B9 B10 B8 -100.4(3) . . . . ?
B7 B9 B10 B8 -137.6(2) . . . . ?
B4 B9 B10 B8 -36.9(2) . . . . ?
C8 B6 B10 B7 -99.6(2) . . . . ?
B1 B6 B10 B7 -37.5(2) . . . . ?
B5 B6 B10 B7 -137.6(2) . . . . ?
C8 B6 B10 B9 -62.3(3) . . . . ?
B7 B6 B10 B9 37.4(2) . . . . ?
B1 B6 B10 B9 -0.1(3) . . . . ?
B5 B6 B10 B9 -100.2(3) . . . . ?
C8 B6 B10 B5 37.9(2) . . . . ?
B7 B6 B10 B5 137.6(2) . . . . ?
B1 B6 B10 B5 100.1(2) . . . . ?
C8 B6 B10 B8 0.8(3) . . . . ?
B7 B6 B10 B8 100.5(3) . . . . ?
B1 B6 B10 B8 63.0(3) . . . . ?
B5 B6 B10 B8 -37.1(2) . . . . ?
C8 B5 B10 B7 -0.6(3) . . . . ?
B2 B5 B10 B7 -63.2(3) . . . . ?
B6 B5 B10 B7 37.7(2) . . . . ?
B8 B5 B10 B7 -100.6(3) . . . . ?
C8 B5 B10 B9 62.9(3) . . . . ?
B2 B5 B10 B9 0.3(3) . . . . ?
B6 B5 B10 B9 101.2(3) . . . . ?
B8 B5 B10 B9 -37.1(2) . . . . ?
C8 B5 B10 B6 -38.3(2) . . . . ?
B2 B5 B10 B6 -100.9(3) . . . . ?
B8 B5 B10 B6 -138.2(2) . . . . ?
C8 B5 B10 B8 100.0(2) . . . . ?
B2 B5 B10 B8 37.4(2) . . . . ?
B6 B5 B10 B8 138.2(2) . . . . ?
B2 B8 B10 B7 63.0(3) . . . . ?
B4 B8 B10 B7 -0.8(3) . . . . ?
B9 B8 B10 B7 -37.9(2) . . . . ?
B5 B8 B10 B7 100.3(3) . . . . ?
B2 B8 B10 B9 100.9(3) . . . . ?
B4 B8 B10 B9 37.1(2) . . . . ?
B5 B8 B10 B9 138.3(2) . . . . ?
B2 B8 B10 B6 -0.2(3) . . . . ?
B4 B8 B10 B6 -63.9(3) . . . . ?
B9 B8 B10 B6 -101.0(3) . . . . ?
B5 B8 B10 B6 37.2(2) . . . . ?
B2 B8 B10 B5 -37.4(2) . . . . ?
B4 B8 B10 B5 -101.1(3) . . . . ?
B9 B8 B10 B5 -138.3(2) . . . . ?
C18 C21 B11 C21 108.5(2) . . . 2 ?
B12 C21 B11 C21 -100.8(2) . . . 2 ?
B13 C21 B11 C21 -138.6(2) . . . 2 ?
B11 C21 B11 C21 -32.7(3) 2 . . 2 ?
C18 C21 B11 B14 -152.3(3) . . . . ?
B12 C21 B11 B14 -1.6(3) . . . . ?
B13 C21 B11 B14 -39.4(2) . . . . ?
C21 C21 B11 B14 99.2(2) 2 . . . ?
B11 C21 B11 B14 66.5(3) 2 . . . ?
C18 C21 B11 B13 -112.9(3) . . . . ?
B12 C21 B11 B13 37.8(2) . . . . ?
C21 C21 B11 B13 138.6(2) 2 . . . ?
B11 C21 B11 B13 105.9(2) 2 . . . ?
C18 C21 B11 B12 144.5(2) . . . 2 ?
B12 C21 B11 B12 -64.7(3) . . . 2 ?
B13 C21 B11 B12 -102.6(3) . . . 2 ?
C21 C21 B11 B12 36.02(16) 2 . . 2 ?
B11 C21 B11 B12 3.3(3) 2 . . 2 ?
C18 C21 B12 B15 152.3(3) . . . . ?
B13 C21 B12 B15 39.2(2) . . . . ?
C21 C21 B12 B15 -63.3(3) 2 . . . ?
B11 C21 B12 B15 -101.3(3) 2 . . . ?
B11 C21 B12 B15 1.9(3) . . . . ?
C18 C21 B12 B11 -106.4(3) . . . 2 ?
B13 C21 B12 B11 140.6(2) . . . 2 ?
C21 C21 B12 B11 38.0(2) 2 . . 2 ?
B11 C21 B12 B11 103.2(2) . . . 2 ?
C18 C21 B12 B14 -144.9(3) . . . 2 ?
B13 C21 B12 B14 102.1(3) . . . 2 ?
C21 C21 B12 B14 -0.5(3) 2 . . 2 ?
B11 C21 B12 B14 -38.5(2) 2 . . 2 ?
B11 C21 B12 B14 64.7(3) . . . 2 ?
C18 C21 B12 B13 113.0(3) . . . . ?
C21 C21 B12 B13 -102.6(3) 2 . . . ?
B11 C21 B12 B13 -140.6(2) 2 . . . ?
B11 C21 B12 B13 -37.4(2) . . . . ?
C18 C21 B13 B11 108.7(3) . . . . ?
B12 C21 B13 B11 -140.7(3) . . . . ?
C21 C21 B13 B11 -37.6(2) 2 . . . ?
B11 C21 B13 B11 -102.9(2) 2 . . . ?
C18 C21 B13 B15 -149.6(3) . . . . ?
B12 C21 B13 B15 -39.0(2) . . . . ?
C21 C21 B13 B15 64.1(3) 2 . . . ?
B11 C21 B13 B15 -1.1(3) 2 . . . ?
B11 C21 B13 B15 101.7(3) . . . . ?
C18 C21 B13 B14 147.6(3) . . . . ?
B12 C21 B13 B14 -101.7(3) . . . . ?
C21 C21 B13 B14 1.4(3) 2 . . . ?
B11 C21 B13 B14 -63.9(3) 2 . . . ?
B11 C21 B13 B14 39.0(2) . . . . ?
C18 C21 B13 B12 -110.6(3) . . . . ?
C21 C21 B13 B12 103.1(3) 2 . . . ?
B11 C21 B13 B12 37.9(2) 2 . . . ?
B11 C21 B13 B12 140.7(3) . . . . ?
C21 B11 B13 C21 36.54(19) 2 . . . ?
B14 B11 B13 C21 135.5(3) . . . . ?
B12 B11 B13 C21 97.8(2) 2 . . . ?
C21 B11 B13 B15 -60.7(3) 2 . . . ?
C21 B11 B13 B15 -97.2(3) . . . . ?
B14 B11 B13 B15 38.3(2) . . . . ?
B12 B11 B13 B15 0.6(3) 2 . . . ?
C21 B11 B13 B14 -98.9(3) 2 . . . ?
C21 B11 B13 B14 -135.5(3) . . . . ?
B12 B11 B13 B14 -37.6(2) 2 . . . ?
C21 B11 B13 B12 2.1(3) 2 . . . ?
C21 B11 B13 B12 -34.4(2) . . . . ?
B14 B11 B13 B12 101.0(3) . . . . ?
B12 B11 B13 B12 63.4(3) 2 . . . ?
B15 B12 B13 C21 -135.1(3) . . . . ?
B11 B12 B13 C21 -35.1(2) 2 . . . ?
B14 B12 B13 C21 -97.9(2) 2 . . . ?
C21 B12 B13 B11 35.0(2) . . . . ?
B15 B12 B13 B11 -100.2(3) . . . . ?
B11 B12 B13 B11 -0.1(3) 2 . . . ?
B14 B12 B13 B11 -63.0(3) 2 . . . ?
C21 B12 B13 B15 135.1(3) . . . . ?
B11 B12 B13 B15 100.0(3) 2 . . . ?
B14 B12 B13 B15 37.2(2) 2 . . . ?
C21 B12 B13 B14 97.9(2) . . . . ?
B15 B12 B13 B14 -37.2(2) . . . . ?
B11 B12 B13 B14 62.8(3) 2 . . . ?
B14 B12 B13 B14 -0.1(3) 2 . . . ?
C21 B11 B14 B13 100.6(2) 2 . . . ?
C21 B11 B14 B13 38.5(2) . . . . ?
B12 B11 B14 B13 138.4(3) 2 . . . ?
C21 B11 B14 B15 -0.1(3) 2 . . 2 ?
C21 B11 B14 B15 -62.2(3) . . . 2 ?
B13 B11 B14 B15 -100.7(3) . . . 2 ?
B12 B11 B14 B15 37.7(2) 2 . . 2 ?
C21 B11 B14 B12 -37.8(2) 2 . . 2 ?
C21 B11 B14 B12 -99.9(3) . . . 2 ?
B13 B11 B14 B12 -138.4(3) . . . 2 ?
C21 B11 B14 B15 62.8(3) 2 . . . ?
C21 B11 B14 B15 0.6(3) . . . . ?
B13 B11 B14 B15 -37.9(2) . . . . ?
B12 B11 B14 B15 100.5(3) 2 . . . ?
C21 B13 B14 B11 -39.0(2) . . . . ?
B15 B13 B14 B11 -137.1(3) . . . . ?
B12 B13 B14 B11 -100.2(3) . . . . ?
C21 B13 B14 B15 61.1(3) . . . 2 ?
B11 B13 B14 B15 100.1(3) . . . 2 ?
B15 B13 B14 B15 -37.1(2) . . . 2 ?
B12 B13 B14 B15 -0.1(3) . . . 2 ?
C21 B13 B14 B12 -1.7(3) . . . 2 ?
B11 B13 B14 B12 37.3(2) . . . 2 ?
B15 B13 B14 B12 -99.8(3) . . . 2 ?
B12 B13 B14 B12 -62.9(3) . . . 2 ?
C21 B13 B14 B15 98.1(3) . . . . ?
B11 B13 B14 B15 137.1(3) . . . . ?
B12 B13 B14 B15 36.9(2) . . . . ?
C21 B12 B15 B13 -38.7(2) . . . . ?
B11 B12 B15 B13 -100.9(3) 2 . . . ?
B14 B12 B15 B13 -138.7(3) 2 . . . ?
C21 B12 B15 B15 62.3(3) . . . 2 ?
B11 B12 B15 B15 0.1(4) 2 . . 2 ?
B14 B12 B15 B15 -37.6(3) 2 . . 2 ?
B13 B12 B15 B15 101.0(3) . . . 2 ?
C21 B12 B15 B14 100.0(3) . . . 2 ?
B11 B12 B15 B14 37.7(2) 2 . . 2 ?
B13 B12 B15 B14 138.7(2) . . . 2 ?
C21 B12 B15 B14 -1.4(3) . . . . ?
B11 B12 B15 B14 -63.6(3) 2 . . . ?
B14 B12 B15 B14 -101.3(3) 2 . . . ?
B13 B12 B15 B14 37.3(2) . . . . ?
C21 B13 B15 B12 38.4(2) . . . . ?
B11 B13 B15 B12 100.6(3) . . . . ?
B14 B13 B15 B12 138.5(3) . . . . ?
C21 B13 B15 B15 -62.8(3) . . . 2 ?
B11 B13 B15 B15 -0.6(4) . . . 2 ?
B14 B13 B15 B15 37.3(3) . . . 2 ?
B12 B13 B15 B15 -101.2(3) . . . 2 ?
C21 B13 B15 B14 1.0(3) . . . 2 ?
B11 B13 B15 B14 63.3(3) . . . 2 ?
B14 B13 B15 B14 101.2(2) . . . 2 ?
B12 B13 B15 B14 -37.3(2) . . . 2 ?
C21 B13 B15 B14 -100.2(3) . . . . ?
B11 B13 B15 B14 -37.9(2) . . . . ?
B12 B13 B15 B14 -138.5(3) . . . . ?
B11 B14 B15 B12 0.5(3) . . . . ?
B13 B14 B15 B12 -37.5(2) . . . . ?
B15 B14 B15 B12 100.8(3) 2 . . . ?
B12 B14 B15 B12 63.8(3) 2 . . . ?
B11 B14 B15 B13 38.0(2) . . . . ?
B15 B14 B15 B13 138.3(2) 2 . . . ?
B12 B14 B15 B13 101.3(2) 2 . . . ?
B11 B14 B15 B15 -100.3(2) . . . 2 ?
B13 B14 B15 B15 -138.3(2) . . . 2 ?
B12 B14 B15 B15 -37.06(18) 2 . . 2 ?
B11 B14 B15 B14 -63.6(3) . . . 2 ?
B13 B14 B15 B14 -101.6(2) . . . 2 ?
B15 B14 B15 B14 36.8(3) 2 . . 2 ?
B12 B14 B15 B14 -0.3(3) 2 . . 2 ?

_refine_diff_density_max         2.066
_refine_diff_density_min         -1.859
_refine_diff_density_rms         0.101



_exptl_crystal_preparation       Luminescent
