# Electronic Supplementary Material (ESI) for ChemComm.
# 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 
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# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_yhb-16
_database_code_depnum_ccdc_archive 'CCDC 2299451'
loop_
_audit_author_name
_audit_author_address
'Ke Cao'
;Southwest University of Science and Technology
China
;
_audit_update_record             
;
2023-10-05 deposited with the CCDC.	2024-01-02 downloaded from the CCDC.
;
_audit_creation_date             2023-05-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.154(C14 H20 B10)'
_chemical_formula_sum            'C2.15 H3.08 B1.54'
_chemical_formula_weight         45.60
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   15.8355(12)
_cell_length_b                   10.9790(9)
_cell_length_c                   9.9081(7)
_cell_angle_alpha                90
_cell_angle_beta                 100.451(2)
_cell_angle_gamma                90
_cell_volume                     1694.0(2)
_cell_formula_units_Z            26
_cell_measurement_reflns_used    1908
_cell_measurement_temperature    150
_cell_measurement_theta_max      25.766
_cell_measurement_theta_min      2.269
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.994
_exptl_absorpt_coefficient_mu    0.057
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0893 before and 0.0688 after correction.
The Ratio of minimum to maximum transmission is 0.7287.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_av_unetI/netI     0.0915
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            12698
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.425
_diffrn_reflns_theta_min         2.270
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2059
_reflns_number_total             3487
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.206
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1311
_refine_ls_R_factor_gt           0.0673
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0669P)²+0.6867P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1764
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C10(H10), C2(H2), C4(H4), C3(H3), C14(H14), C11(H11),
 C12(H12), C13(H13)
2.b Boron cage BH refined with riding coordinates:
 C8(H8), C7(H7), B2A(H2A), B3A(H3A), B9A(H9A), B8A(H8A), B6A(H6A), B5A(H5A),
 B7A(H7A), B10A(H10A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
C8 C 0.71399(15) 0.4392(2) 0.4506(2) 0.0301(6) Uani 1 1 d . . . . .
H8 H 0.683432 0.382907 0.360601 0.036 Uiso 1 1 calc R U . . .
C1 C 0.86277(16) 0.4593(2) 0.3262(3) 0.0307(6) Uani 1 1 d . . . . .
C7 C 0.79423(15) 0.3880(2) 0.5615(2) 0.0289(6) Uani 1 1 d . . . . .
H7 H 0.820673 0.294741 0.549739 0.035 Uiso 1 1 calc R U . . .
C9 C 0.64417(16) 0.2738(2) 0.6236(2) 0.0328(6) Uani 1 1 d . . . . .
C6 C 0.91516(17) 0.3570(2) 0.3326(3) 0.0362(6) Uani 1 1 d . . . . .
H6 H 0.923440 0.307777 0.412764 0.043 Uiso 1 1 calc R U . . .
C5 C 0.95555(18) 0.3251(3) 0.2248(3) 0.0426(7) Uani 1 1 d . . . . .
H5 H 0.990554 0.254320 0.231112 0.051 Uiso 1 1 calc R U . . .
C10 C 0.66541(17) 0.1617(2) 0.5734(3) 0.0377(7) Uani 1 1 d . . . . .
H10 H 0.712862 0.156596 0.527132 0.045 Uiso 1 1 calc R U . . .
C2 C 0.85359(17) 0.5299(3) 0.2070(3) 0.0391(7) Uani 1 1 d . . . . .
H2 H 0.818710 0.600840 0.199643 0.047 Uiso 1 1 calc R U . . .
C4 C 0.94483(19) 0.3965(3) 0.1080(3) 0.0442(7) Uani 1 1 d . . . . .
H4 H 0.972369 0.374974 0.033821 0.053 Uiso 1 1 calc R U . . .
C3 C 0.89402(18) 0.4988(3) 0.0998(3) 0.0440(7) Uani 1 1 d . . . . .
H3 H 0.886782 0.548375 0.019934 0.053 Uiso 1 1 calc R U . . .
C14 C 0.57425(18) 0.2766(3) 0.6912(3) 0.0505(8) Uani 1 1 d . . . . .
H14 H 0.558037 0.351561 0.726935 0.061 Uiso 1 1 calc R U . . .
C11 C 0.61908(19) 0.0575(3) 0.5892(3) 0.0459(8) Uani 1 1 d . . . . .
H11 H 0.634840 -0.018018 0.554098 0.055 Uiso 1 1 calc R U . . .
B4A B 0.81623(19) 0.4964(3) 0.4461(3) 0.0307(7) Uani 1 1 d . . . . .
C12 C 0.5500(2) 0.0634(3) 0.6559(3) 0.0555(9) Uani 1 1 d . . . . .
H12 H 0.517820 -0.007920 0.666277 0.067 Uiso 1 1 calc R U . . .
B2A B 0.79113(19) 0.4376(3) 0.7220(3) 0.0318(7) Uani 1 1 d . . . . .
H2A H 0.814522 0.385605 0.818777 0.038 Uiso 1 1 calc R U . . .
B3A B 0.8643(2) 0.4990(3) 0.6237(3) 0.0334(7) Uani 1 1 d . . . . .
H3A H 0.935233 0.486615 0.656577 0.040 Uiso 1 1 calc R U . . .
B1A B 0.69484(18) 0.3936(3) 0.6093(3) 0.0311(7) Uani 1 1 d . . . . .
B9A B 0.7229(2) 0.5911(3) 0.4275(3) 0.0344(7) Uani 1 1 d . . . . .
H9A H 0.699601 0.640687 0.328989 0.041 Uiso 1 1 calc R U . . .
C13 C 0.5280(2) 0.1723(4) 0.7072(4) 0.0621(10) Uani 1 1 d . . . . .
H13 H 0.480745 0.176299 0.753948 0.075 Uiso 1 1 calc R U . . .
B8A B 0.6495(2) 0.5289(3) 0.5254(3) 0.0362(7) Uani 1 1 d . . . . .
H8A H 0.578361 0.537876 0.490879 0.043 Uiso 1 1 calc R U . . .
B6A B 0.8033(2) 0.5985(3) 0.7107(3) 0.0388(8) Uani 1 1 d . . . . .
H6A H 0.833987 0.654682 0.800719 0.047 Uiso 1 1 calc R U . . .
B5A B 0.8180(2) 0.6330(3) 0.5408(3) 0.0380(8) Uani 1 1 d . . . . .
H5A H 0.858375 0.711796 0.518649 0.046 Uiso 1 1 calc R U . . .
B7A B 0.6990(2) 0.5328(3) 0.7014(3) 0.0381(8) Uani 1 1 d . . . . .
H7A H 0.660911 0.545432 0.785153 0.046 Uiso 1 1 calc R U . . .
B10A B 0.7160(2) 0.6540(3) 0.5896(3) 0.0419(8) Uani 1 1 d . . . . .
H10A H 0.688826 0.747056 0.599836 0.050 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
C8 H8 1.1200 . ?
C8 C7 1.622(3) . ?
C8 B4A 1.745(4) . ?
C8 B1A 1.729(4) . ?
C8 B9A 1.692(4) . ?
C8 B8A 1.685(4) . ?
C1 C6 1.391(3) . ?
C1 C2 1.398(3) . ?
C1 B4A 1.562(4) . ?
C7 H7 1.1200 . ?
C7 B4A 1.729(4) . ?
C7 B2A 1.690(4) . ?
C7 B3A 1.687(4) . ?
C7 B1A 1.725(4) . ?
C9 C10 1.392(4) . ?
C9 C14 1.394(4) . ?
C9 B1A 1.560(4) . ?
C6 H6 0.9500 . ?
C6 C5 1.386(4) . ?
C5 H5 0.9500 . ?
C5 C4 1.382(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.378(4) . ?
C4 H4 0.9500 . ?
C4 C3 1.376(4) . ?
C3 H3 0.9500 . ?
C14 H14 0.9500 . ?
C14 C13 1.384(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.378(4) . ?
B4A B3A 1.786(4) . ?
B4A B9A 1.789(4) . ?
B4A B5A 1.767(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.369(4) . ?
B2A H2A 1.1200 . ?
B2A B3A 1.776(4) . ?
B2A B1A 1.785(4) . ?
B2A B6A 1.783(4) . ?
B2A B7A 1.776(4) . ?
B3A H3A 1.1200 . ?
B3A B6A 1.781(4) . ?
B3A B5A 1.777(4) . ?
B1A B8A 1.788(4) . ?
B1A B7A 1.775(4) . ?
B9A H9A 1.1200 . ?
B9A B8A 1.780(4) . ?
B9A B5A 1.769(4) . ?
B9A B10A 1.770(4) . ?
C13 H13 0.9500 . ?
B8A H8A 1.1200 . ?
B8A B7A 1.778(4) . ?
B8A B10A 1.778(5) . ?
B6A H6A 1.1200 . ?
B6A B5A 1.782(4) . ?
B6A B7A 1.789(5) . ?
B6A B10A 1.766(4) . ?
B5A H5A 1.1200 . ?
B5A B10A 1.783(5) . ?
B7A H7A 1.1200 . ?
B7A B10A 1.782(4) . ?
B10A H10A 1.1200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 C8 H8 121.3 . . ?
C7 C8 B4A 61.68(15) . . ?
C7 C8 B1A 61.86(15) . . ?
C7 C8 B9A 111.0(2) . . ?
C7 C8 B8A 111.57(19) . . ?
B4A C8 H8 116.6 . . ?
B1A C8 H8 116.3 . . ?
B1A C8 B4A 116.36(19) . . ?
B9A C8 H8 118.1 . . ?
B9A C8 B4A 62.71(16) . . ?
B9A C8 B1A 116.2(2) . . ?
B8A C8 H8 117.6 . . ?
B8A C8 B4A 116.1(2) . . ?
B8A C8 B1A 63.17(16) . . ?
B8A C8 B9A 63.62(17) . . ?
C6 C1 C2 117.1(2) . . ?
C6 C1 B4A 122.4(2) . . ?
C2 C1 B4A 120.5(2) . . ?
C8 C7 H7 120.5 . . ?
C8 C7 B4A 62.64(15) . . ?
C8 C7 B2A 111.88(19) . . ?
C8 C7 B3A 112.28(19) . . ?
C8 C7 B1A 62.10(15) . . ?
B4A C7 H7 115.8 . . ?
B2A C7 H7 117.9 . . ?
B2A C7 B4A 116.3(2) . . ?
B2A C7 B1A 63.03(16) . . ?
B3A C7 H7 117.7 . . ?
B3A C7 B4A 63.02(16) . . ?
B3A C7 B2A 63.44(16) . . ?
B3A C7 B1A 116.5(2) . . ?
B1A C7 H7 116.0 . . ?
B1A C7 B4A 117.40(19) . . ?
C10 C9 C14 117.1(3) . . ?
C10 C9 B1A 123.5(2) . . ?
C14 C9 B1A 119.5(2) . . ?
C1 C6 H6 119.2 . . ?
C5 C6 C1 121.6(3) . . ?
C5 C6 H6 119.2 . . ?
C6 C5 H5 120.1 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.1 . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.6(3) . . ?
C11 C10 H10 119.2 . . ?
C1 C2 H2 119.3 . . ?
C3 C2 C1 121.5(3) . . ?
C3 C2 H2 119.3 . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.3(3) . . ?
C4 C3 H3 119.8 . . ?
C9 C14 H14 119.3 . . ?
C13 C14 C9 121.4(3) . . ?
C13 C14 H14 119.3 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 119.9(3) . . ?
C12 C11 H11 120.0 . . ?
C8 B4A B3A 102.25(19) . . ?
C8 B4A B9A 57.22(15) . . ?
C8 B4A B5A 102.6(2) . . ?
C1 B4A C8 119.6(2) . . ?
C1 B4A C7 120.2(2) . . ?
C1 B4A B3A 125.3(2) . . ?
C1 B4A B9A 124.6(2) . . ?
C1 B4A B5A 131.4(2) . . ?
C7 B4A C8 55.69(14) . . ?
C7 B4A B3A 57.34(15) . . ?
C7 B4A B9A 101.9(2) . . ?
C7 B4A B5A 102.7(2) . . ?
B3A B4A B9A 106.8(2) . . ?
B5A B4A B3A 60.03(16) . . ?
B5A B4A B9A 59.66(17) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.8(3) . . ?
C13 C12 H12 120.1 . . ?
C7 B2A H2A 125.4 . . ?
C7 B2A B3A 58.21(15) . . ?
C7 B2A B1A 59.44(15) . . ?
C7 B2A B6A 103.8(2) . . ?
C7 B2A B7A 104.2(2) . . ?
B3A B2A H2A 121.0 . . ?
B3A B2A B1A 109.1(2) . . ?
B3A B2A B6A 60.06(17) . . ?
B3A B2A B7A 108.5(2) . . ?
B1A B2A H2A 120.6 . . ?
B6A B2A H2A 122.4 . . ?
B6A B2A B1A 108.6(2) . . ?
B7A B2A H2A 122.4 . . ?
B7A B2A B1A 59.80(17) . . ?
B7A B2A B6A 60.37(18) . . ?
C7 B3A B4A 59.64(15) . . ?
C7 B3A B2A 58.35(15) . . ?
C7 B3A H3A 125.3 . . ?
C7 B3A B6A 104.0(2) . . ?
C7 B3A B5A 103.9(2) . . ?
B4A B3A H3A 120.7 . . ?
B2A B3A B4A 109.3(2) . . ?
B2A B3A H3A 121.0 . . ?
B2A B3A B6A 60.17(17) . . ?
B2A B3A B5A 108.2(2) . . ?
B6A B3A B4A 108.4(2) . . ?
B6A B3A H3A 122.5 . . ?
B5A B3A B4A 59.46(16) . . ?
B5A B3A H3A 122.8 . . ?
B5A B3A B6A 60.10(17) . . ?
C8 B1A B2A 102.7(2) . . ?
C8 B1A B8A 57.22(15) . . ?
C8 B1A B7A 102.8(2) . . ?
C7 B1A C8 56.04(14) . . ?
C7 B1A B2A 57.52(15) . . ?
C7 B1A B8A 102.2(2) . . ?
C7 B1A B7A 102.8(2) . . ?
C9 B1A C8 120.3(2) . . ?
C9 B1A C7 120.3(2) . . ?
C9 B1A B2A 124.5(2) . . ?
C9 B1A B8A 124.9(2) . . ?
C9 B1A B7A 130.6(2) . . ?
B2A B1A B8A 106.9(2) . . ?
B7A B1A B2A 59.84(17) . . ?
B7A B1A B8A 59.87(17) . . ?
C8 B9A B4A 60.07(15) . . ?
C8 B9A H9A 125.1 . . ?
C8 B9A B8A 57.98(16) . . ?
C8 B9A B5A 104.7(2) . . ?
C8 B9A B10A 104.0(2) . . ?
B4A B9A H9A 120.5 . . ?
B8A B9A B4A 109.3(2) . . ?
B8A B9A H9A 121.1 . . ?
B5A B9A B4A 59.56(17) . . ?
B5A B9A H9A 122.3 . . ?
B5A B9A B8A 108.6(2) . . ?
B5A B9A B10A 60.51(18) . . ?
B10A B9A B4A 108.6(2) . . ?
B10A B9A H9A 122.4 . . ?
B10A B9A B8A 60.09(18) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 C14 120.3(3) . . ?
C12 C13 H13 119.9 . . ?
C8 B8A B1A 59.61(15) . . ?
C8 B8A B9A 58.40(16) . . ?
C8 B8A H8A 125.0 . . ?
C8 B8A B7A 104.5(2) . . ?
C8 B8A B10A 104.0(2) . . ?
B1A B8A H8A 120.8 . . ?
B9A B8A B1A 108.9(2) . . ?
B9A B8A H8A 121.3 . . ?
B7A B8A B1A 59.70(17) . . ?
B7A B8A B9A 108.0(2) . . ?
B7A B8A H8A 122.5 . . ?
B10A B8A B1A 108.3(2) . . ?
B10A B8A B9A 59.69(18) . . ?
B10A B8A H8A 122.7 . . ?
B10A B8A B7A 60.17(18) . . ?
B2A B6A H6A 122.1 . . ?
B2A B6A B7A 59.63(17) . . ?
B3A B6A B2A 59.78(16) . . ?
B3A B6A H6A 121.9 . . ?
B3A B6A B5A 59.86(17) . . ?
B3A B6A B7A 107.7(2) . . ?
B5A B6A B2A 107.7(2) . . ?
B5A B6A H6A 121.6 . . ?
B5A B6A B7A 108.3(2) . . ?
B7A B6A H6A 121.7 . . ?
B10A B6A B2A 107.7(2) . . ?
B10A B6A B3A 108.0(2) . . ?
B10A B6A H6A 121.6 . . ?
B10A B6A B5A 60.35(18) . . ?
B10A B6A B7A 60.17(18) . . ?
B4A B5A B3A 60.51(16) . . ?
B4A B5A B9A 60.78(17) . . ?
B4A B5A B6A 109.2(2) . . ?
B4A B5A H5A 120.4 . . ?
B4A B5A B10A 109.0(2) . . ?
B3A B5A B6A 60.04(17) . . ?
B3A B5A H5A 121.9 . . ?
B3A B5A B10A 107.4(2) . . ?
B9A B5A B3A 108.0(2) . . ?
B9A B5A B6A 107.6(2) . . ?
B9A B5A H5A 121.8 . . ?
B9A B5A B10A 59.78(18) . . ?
B6A B5A H5A 121.8 . . ?
B6A B5A B10A 59.40(18) . . ?
B10A B5A H5A 122.0 . . ?
B2A B7A B8A 107.8(2) . . ?
B2A B7A B6A 60.00(17) . . ?
B2A B7A H7A 121.9 . . ?
B2A B7A B10A 107.3(2) . . ?
B1A B7A B2A 60.37(16) . . ?
B1A B7A B8A 60.44(17) . . ?
B1A B7A B6A 108.8(2) . . ?
B1A B7A H7A 120.8 . . ?
B1A B7A B10A 108.6(2) . . ?
B8A B7A B6A 107.4(2) . . ?
B8A B7A H7A 121.9 . . ?
B8A B7A B10A 59.90(18) . . ?
B6A B7A H7A 121.9 . . ?
B10A B7A B6A 59.28(18) . . ?
B10A B7A H7A 122.1 . . ?
B9A B10A B8A 60.22(17) . . ?
B9A B10A B5A 59.70(17) . . ?
B9A B10A B7A 108.3(2) . . ?
B9A B10A H10A 121.7 . . ?
B8A B10A B5A 108.1(2) . . ?
B8A B10A B7A 59.93(18) . . ?
B8A B10A H10A 121.6 . . ?
B6A B10A B9A 108.2(2) . . ?
B6A B10A B8A 108.5(2) . . ?
B6A B10A B5A 60.25(18) . . ?
B6A B10A B7A 60.55(18) . . ?
B6A B10A H10A 121.3 . . ?
B5A B10A H10A 121.6 . . ?
B7A B10A B5A 108.6(2) . . ?
B7A B10A H10A 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
C8 C7 B4A C1 -107.1(3) . . . . ?
C8 C7 B4A B3A 137.9(2) . . . . ?
C8 C7 B4A B9A 35.52(17) . . . . ?
C8 C7 B4A B5A 96.7(2) . . . . ?
C8 C7 B2A B3A -104.8(2) . . . . ?
C8 C7 B2A B1A 39.63(19) . . . . ?
C8 C7 B2A B6A -64.0(2) . . . . ?
C8 C7 B2A B7A -1.6(3) . . . . ?
C8 C7 B3A B4A -40.01(19) . . . . ?
C8 C7 B3A B2A 104.2(2) . . . . ?
C8 C7 B3A B6A 63.3(2) . . . . ?
C8 C7 B3A B5A 1.2(3) . . . . ?
C8 C7 B1A C9 108.1(3) . . . . ?
C8 C7 B1A B2A -138.0(2) . . . . ?
C8 C7 B1A B8A -35.51(18) . . . . ?
C8 C7 B1A B7A -97.0(2) . . . . ?
C8 B4A B3A C7 34.48(17) . . . . ?
C8 B4A B3A B2A 2.7(3) . . . . ?
C8 B4A B3A B6A -61.3(2) . . . . ?
C8 B4A B3A B5A -97.6(2) . . . . ?
C8 B4A B9A B8A 31.85(19) . . . . ?
C8 B4A B9A B5A 132.6(2) . . . . ?
C8 B4A B9A B10A 95.8(2) . . . . ?
C8 B4A B5A B3A 97.0(2) . . . . ?
C8 B4A B5A B9A -39.34(18) . . . . ?
C8 B4A B5A B6A 60.5(3) . . . . ?
C8 B4A B5A B10A -2.7(3) . . . . ?
C8 B1A B8A B9A -32.49(19) . . . . ?
C8 B1A B8A B7A -132.8(2) . . . . ?
C8 B1A B8A B10A -95.8(2) . . . . ?
C8 B1A B7A B2A -97.4(2) . . . . ?
C8 B1A B7A B8A 39.28(19) . . . . ?
C8 B1A B7A B6A -60.6(2) . . . . ?
C8 B1A B7A B10A 2.4(3) . . . . ?
C8 B9A B8A B1A 32.96(19) . . . . ?
C8 B9A B8A B7A 96.3(2) . . . . ?
C8 B9A B8A B10A 133.5(2) . . . . ?
C8 B9A B5A B4A 41.24(19) . . . . ?
C8 B9A B5A B3A 2.1(3) . . . . ?
C8 B9A B5A B6A -61.3(2) . . . . ?
C8 B9A B5A B10A -98.0(2) . . . . ?
C8 B9A B10A B8A -39.33(19) . . . . ?
C8 B9A B10A B6A 62.0(3) . . . . ?
C8 B9A B10A B5A 99.1(2) . . . . ?
C8 B9A B10A B7A -2.1(3) . . . . ?
C8 B8A B7A B2A -2.1(3) . . . . ?
C8 B8A B7A B1A -40.86(19) . . . . ?
C8 B8A B7A B6A 61.2(3) . . . . ?
C8 B8A B7A B10A 98.0(2) . . . . ?
C8 B8A B10A B9A 39.54(19) . . . . ?
C8 B8A B10A B6A -61.3(3) . . . . ?
C8 B8A B10A B5A 2.5(3) . . . . ?
C8 B8A B10A B7A -98.9(2) . . . . ?
C1 C6 C5 C4 0.7(4) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C1 B4A B3A C7 -106.2(3) . . . . ?
C1 B4A B3A B2A -138.0(2) . . . . ?
C1 B4A B3A B6A 158.0(2) . . . . ?
C1 B4A B3A B5A 121.8(3) . . . . ?
C1 B4A B9A C8 105.6(3) . . . . ?
C1 B4A B9A B8A 137.5(2) . . . . ?
C1 B4A B9A B5A -121.8(3) . . . . ?
C1 B4A B9A B10A -158.6(2) . . . . ?
C1 B4A B5A B3A -112.4(3) . . . . ?
C1 B4A B5A B9A 111.2(3) . . . . ?
C1 B4A B5A B6A -148.9(3) . . . . ?
C1 B4A B5A B10A 147.8(3) . . . . ?
C7 C8 B4A C1 108.3(3) . . . . ?
C7 C8 B4A B3A -35.25(17) . . . . ?
C7 C8 B4A B9A -137.5(2) . . . . ?
C7 C8 B4A B5A -96.9(2) . . . . ?
C7 C8 B1A C9 -108.1(2) . . . . ?
C7 C8 B1A B2A 35.39(17) . . . . ?
C7 C8 B1A B8A 137.5(2) . . . . ?
C7 C8 B1A B7A 96.9(2) . . . . ?
C7 C8 B9A B4A 39.61(19) . . . . ?
C7 C8 B9A B8A -104.4(2) . . . . ?
C7 C8 B9A B5A -1.4(3) . . . . ?
C7 C8 B9A B10A -64.0(2) . . . . ?
C7 C8 B8A B1A -39.80(19) . . . . ?
C7 C8 B8A B9A 103.6(2) . . . . ?
C7 C8 B8A B7A 1.1(3) . . . . ?
C7 C8 B8A B10A 63.4(2) . . . . ?
C7 B4A B3A B2A -31.83(19) . . . . ?
C7 B4A B3A B6A -95.8(2) . . . . ?
C7 B4A B3A B5A -132.1(2) . . . . ?
C7 B4A B9A C8 -34.80(17) . . . . ?
C7 B4A B9A B8A -3.0(3) . . . . ?
C7 B4A B9A B5A 97.8(2) . . . . ?
C7 B4A B9A B10A 61.0(2) . . . . ?
C7 B4A B5A B3A 39.83(18) . . . . ?
C7 B4A B5A B9A -96.5(2) . . . . ?
C7 B4A B5A B6A 3.4(3) . . . . ?
C7 B4A B5A B10A -59.9(2) . . . . ?
C7 B2A B3A B4A 32.31(19) . . . . ?
C7 B2A B3A B6A 132.9(2) . . . . ?
C7 B2A B3A B5A 95.5(2) . . . . ?
C7 B2A B1A C8 -34.71(17) . . . . ?
C7 B2A B1A C9 106.7(3) . . . . ?
C7 B2A B1A B8A -93.9(2) . . . . ?
C7 B2A B1A B7A -132.3(2) . . . . ?
C7 B2A B6A B3A -39.86(18) . . . . ?
C7 B2A B6A B5A -2.6(3) . . . . ?
C7 B2A B6A B7A 98.7(2) . . . . ?
C7 B2A B6A B10A 61.1(3) . . . . ?
C7 B2A B7A B1A 41.07(18) . . . . ?
C7 B2A B7A B8A 2.2(3) . . . . ?
C7 B2A B7A B6A -98.0(2) . . . . ?
C7 B2A B7A B10A -60.9(3) . . . . ?
C7 B3A B6A B2A 39.97(18) . . . . ?
C7 B3A B6A B5A -98.2(2) . . . . ?
C7 B3A B6A B7A 3.1(3) . . . . ?
C7 B3A B6A B10A -60.4(3) . . . . ?
C7 B3A B5A B4A -41.29(19) . . . . ?
C7 B3A B5A B9A -2.0(3) . . . . ?
C7 B3A B5A B6A 98.3(2) . . . . ?
C7 B3A B5A B10A 61.1(2) . . . . ?
C7 B1A B8A C8 34.96(17) . . . . ?
C7 B1A B8A B9A 2.5(3) . . . . ?
C7 B1A B8A B7A -97.8(2) . . . . ?
C7 B1A B8A B10A -60.9(2) . . . . ?
C7 B1A B7A B2A -39.78(18) . . . . ?
C7 B1A B7A B8A 96.9(2) . . . . ?
C7 B1A B7A B6A -3.0(3) . . . . ?
C7 B1A B7A B10A 60.0(3) . . . . ?
C9 C10 C11 C12 0.1(4) . . . . ?
C9 C14 C13 C12 -0.3(5) . . . . ?
C9 B1A B8A C8 -106.4(3) . . . . ?
C9 B1A B8A B9A -138.9(2) . . . . ?
C9 B1A B8A B7A 120.9(3) . . . . ?
C9 B1A B8A B10A 157.8(2) . . . . ?
C9 B1A B7A B2A 111.4(3) . . . . ?
C9 B1A B7A B8A -112.0(3) . . . . ?
C9 B1A B7A B6A 148.2(3) . . . . ?
C9 B1A B7A B10A -148.9(3) . . . . ?
C6 C1 C2 C3 0.6(4) . . . . ?
C6 C1 B4A C8 -89.4(3) . . . . ?
C6 C1 B4A C7 -24.2(4) . . . . ?
C6 C1 B4A B3A 45.2(4) . . . . ?
C6 C1 B4A B9A -158.0(2) . . . . ?
C6 C1 B4A B5A 124.1(3) . . . . ?
C6 C5 C4 C3 0.0(4) . . . . ?
C5 C4 C3 C2 -0.4(4) . . . . ?
C10 C9 C14 C13 -0.1(4) . . . . ?
C10 C9 B1A C8 52.2(3) . . . . ?
C10 C9 B1A C7 -13.7(4) . . . . ?
C10 C9 B1A B2A -83.0(3) . . . . ?
C10 C9 B1A B8A 121.3(3) . . . . ?
C10 C9 B1A B7A -160.7(3) . . . . ?
C10 C11 C12 C13 -0.5(4) . . . . ?
C2 C1 C6 C5 -1.0(4) . . . . ?
C2 C1 B4A C8 91.2(3) . . . . ?
C2 C1 B4A C7 156.4(2) . . . . ?
C2 C1 B4A B3A -134.2(3) . . . . ?
C2 C1 B4A B9A 22.6(4) . . . . ?
C2 C1 B4A B5A -55.3(4) . . . . ?
C14 C9 C10 C11 0.3(4) . . . . ?
C14 C9 B1A C8 -128.5(3) . . . . ?
C14 C9 B1A C7 165.6(2) . . . . ?
C14 C9 B1A B2A 96.2(3) . . . . ?
C14 C9 B1A B8A -59.4(4) . . . . ?
C14 C9 B1A B7A 18.6(4) . . . . ?
C11 C12 C13 C14 0.6(5) . . . . ?
B4A C8 C7 B2A 109.3(2) . . . . ?
B4A C8 C7 B3A 40.2(2) . . . . ?
B4A C8 C7 B1A 149.3(2) . . . . ?
B4A C8 B1A C7 -30.06(19) . . . . ?
B4A C8 B1A C9 -138.2(2) . . . . ?
B4A C8 B1A B2A 5.3(3) . . . . ?
B4A C8 B1A B8A 107.5(2) . . . . ?
B4A C8 B1A B7A 66.8(2) . . . . ?
B4A C8 B9A B8A -144.0(2) . . . . ?
B4A C8 B9A B5A -40.98(19) . . . . ?
B4A C8 B9A B10A -103.6(2) . . . . ?
B4A C8 B8A B1A -107.8(2) . . . . ?
B4A C8 B8A B9A 35.6(2) . . . . ?
B4A C8 B8A B7A -66.9(3) . . . . ?
B4A C8 B8A B10A -4.6(3) . . . . ?
B4A C1 C6 C5 179.6(2) . . . . ?
B4A C1 C2 C3 -180.0(2) . . . . ?
B4A C7 B2A B3A -35.6(2) . . . . ?
B4A C7 B2A B1A 108.9(2) . . . . ?
B4A C7 B2A B6A 5.2(3) . . . . ?
B4A C7 B2A B7A 67.7(3) . . . . ?
B4A C7 B3A B2A 144.2(2) . . . . ?
B4A C7 B3A B6A 103.3(2) . . . . ?
B4A C7 B3A B5A 41.20(19) . . . . ?
B4A C7 B1A C8 30.7(2) . . . . ?
B4A C7 B1A C9 138.8(2) . . . . ?
B4A C7 B1A B2A -107.3(2) . . . . ?
B4A C7 B1A B8A -4.8(3) . . . . ?
B4A C7 B1A B7A -66.3(2) . . . . ?
B4A B3A B6A B2A 102.2(2) . . . . ?
B4A B3A B6A B5A -36.0(2) . . . . ?
B4A B3A B6A B7A 65.3(3) . . . . ?
B4A B3A B6A B10A 1.8(3) . . . . ?
B4A B3A B5A B9A 39.3(2) . . . . ?
B4A B3A B5A B6A 139.6(2) . . . . ?
B4A B3A B5A B10A 102.4(2) . . . . ?
B4A B9A B8A C8 -32.64(19) . . . . ?
B4A B9A B8A B1A 0.3(3) . . . . ?
B4A B9A B8A B7A 63.6(3) . . . . ?
B4A B9A B8A B10A 100.9(2) . . . . ?
B4A B9A B5A B3A -39.2(2) . . . . ?
B4A B9A B5A B6A -102.6(2) . . . . ?
B4A B9A B5A B10A -139.2(2) . . . . ?
B4A B9A B10A B8A -102.0(2) . . . . ?
B4A B9A B10A B6A -0.7(3) . . . . ?
B4A B9A B10A B5A 36.4(2) . . . . ?
B4A B9A B10A B7A -64.8(3) . . . . ?
B4A B5A B10A B9A -37.1(2) . . . . ?
B4A B5A B10A B8A 0.2(3) . . . . ?
B4A B5A B10A B6A 101.5(2) . . . . ?
B4A B5A B10A B7A 63.7(3) . . . . ?
B2A C7 B4A C8 -102.2(2) . . . . ?
B2A C7 B4A C1 150.6(2) . . . . ?
B2A C7 B4A B3A 35.7(2) . . . . ?
B2A C7 B4A B9A -66.7(2) . . . . ?
B2A C7 B4A B5A -5.5(3) . . . . ?
B2A C7 B3A B4A -144.2(2) . . . . ?
B2A C7 B3A B6A -40.89(19) . . . . ?
B2A C7 B3A B5A -103.0(2) . . . . ?
B2A C7 B1A C8 138.0(2) . . . . ?
B2A C7 B1A C9 -113.9(3) . . . . ?
B2A C7 B1A B8A 102.4(2) . . . . ?
B2A C7 B1A B7A 40.97(18) . . . . ?
B2A B3A B6A B5A -138.2(2) . . . . ?
B2A B3A B6A B7A -36.86(19) . . . . ?
B2A B3A B6A B10A -100.4(2) . . . . ?
B2A B3A B5A B4A -102.1(2) . . . . ?
B2A B3A B5A B9A -62.8(3) . . . . ?
B2A B3A B5A B6A 37.5(2) . . . . ?
B2A B3A B5A B10A 0.3(3) . . . . ?
B2A B1A B8A C8 94.4(2) . . . . ?
B2A B1A B8A B9A 61.9(2) . . . . ?
B2A B1A B8A B7A -38.3(2) . . . . ?
B2A B1A B8A B10A -1.4(3) . . . . ?
B2A B1A B7A B8A 136.7(2) . . . . ?
B2A B1A B7A B6A 36.8(2) . . . . ?
B2A B1A B7A B10A 99.8(2) . . . . ?
B2A B6A B5A B4A -0.5(3) . . . . ?
B2A B6A B5A B3A -37.2(2) . . . . ?
B2A B6A B5A B9A 63.9(3) . . . . ?
B2A B6A B5A B10A 100.7(2) . . . . ?
B2A B6A B7A B1A -36.96(19) . . . . ?
B2A B6A B7A B8A -100.9(2) . . . . ?
B2A B6A B7A B10A -137.9(2) . . . . ?
B2A B6A B10A B9A -63.8(3) . . . . ?
B2A B6A B10A B8A 0.0(3) . . . . ?
B2A B6A B10A B5A -100.7(2) . . . . ?
B2A B6A B10A B7A 37.3(2) . . . . ?
B2A B7A B10A B9A 63.6(3) . . . . ?
B2A B7A B10A B8A 100.9(2) . . . . ?
B2A B7A B10A B6A -37.4(2) . . . . ?
B2A B7A B10A B5A 0.3(3) . . . . ?
B3A C7 B4A C8 -137.9(2) . . . . ?
B3A C7 B4A C1 114.9(3) . . . . ?
B3A C7 B4A B9A -102.4(2) . . . . ?
B3A C7 B4A B5A -41.23(19) . . . . ?
B3A C7 B2A B1A 144.5(2) . . . . ?
B3A C7 B2A B6A 40.8(2) . . . . ?
B3A C7 B2A B7A 103.2(2) . . . . ?
B3A C7 B1A C8 102.4(2) . . . . ?
B3A C7 B1A C9 -149.4(2) . . . . ?
B3A C7 B1A B2A -35.5(2) . . . . ?
B3A C7 B1A B8A 66.9(2) . . . . ?
B3A C7 B1A B7A 5.5(3) . . . . ?
B3A B4A B9A C8 -94.0(2) . . . . ?
B3A B4A B9A B8A -62.1(3) . . . . ?
B3A B4A B9A B5A 38.6(2) . . . . ?
B3A B4A B9A B10A 1.8(3) . . . . ?
B3A B4A B5A B9A -136.4(2) . . . . ?
B3A B4A B5A B6A -36.5(2) . . . . ?
B3A B4A B5A B10A -99.7(2) . . . . ?
B3A B2A B1A C8 -3.2(3) . . . . ?
B3A B2A B1A C7 31.53(18) . . . . ?
B3A B2A B1A C9 138.3(2) . . . . ?
B3A B2A B1A B8A -62.4(2) . . . . ?
B3A B2A B1A B7A -100.8(2) . . . . ?
B3A B2A B6A B5A 37.2(2) . . . . ?
B3A B2A B6A B7A 138.5(2) . . . . ?
B3A B2A B6A B10A 100.9(2) . . . . ?
B3A B2A B7A B1A 101.8(2) . . . . ?
B3A B2A B7A B8A 63.0(3) . . . . ?
B3A B2A B7A B6A -37.3(2) . . . . ?
B3A B2A B7A B10A -0.2(3) . . . . ?
B3A B6A B5A B4A 36.7(2) . . . . ?
B3A B6A B5A B9A 101.1(2) . . . . ?
B3A B6A B5A B10A 137.9(2) . . . . ?
B3A B6A B7A B2A 36.93(19) . . . . ?
B3A B6A B7A B1A 0.0(3) . . . . ?
B3A B6A B7A B8A -64.0(3) . . . . ?
B3A B6A B7A B10A -101.0(2) . . . . ?
B3A B6A B10A B9A -0.6(3) . . . . ?
B3A B6A B10A B8A 63.2(3) . . . . ?
B3A B6A B10A B5A -37.6(2) . . . . ?
B3A B6A B10A B7A 100.5(2) . . . . ?
B3A B5A B10A B9A -101.1(2) . . . . ?
B3A B5A B10A B8A -63.9(3) . . . . ?
B3A B5A B10A B6A 37.5(2) . . . . ?
B3A B5A B10A B7A -0.4(3) . . . . ?
B1A C8 C7 B4A -149.3(2) . . . . ?
B1A C8 C7 B2A -40.0(2) . . . . ?
B1A C8 C7 B3A -109.2(2) . . . . ?
B1A C8 B4A C1 138.4(2) . . . . ?
B1A C8 B4A C7 30.12(19) . . . . ?
B1A C8 B4A B3A -5.1(3) . . . . ?
B1A C8 B4A B9A -107.3(2) . . . . ?
B1A C8 B4A B5A -66.8(2) . . . . ?
B1A C8 B9A B4A 107.6(2) . . . . ?
B1A C8 B9A B8A -36.4(2) . . . . ?
B1A C8 B9A B5A 66.7(3) . . . . ?
B1A C8 B9A B10A 4.0(3) . . . . ?
B1A C8 B8A B9A 143.4(2) . . . . ?
B1A C8 B8A B7A 40.9(2) . . . . ?
B1A C8 B8A B10A 103.2(2) . . . . ?
B1A C7 B4A C8 -30.5(2) . . . . ?
B1A C7 B4A C1 -137.6(2) . . . . ?
B1A C7 B4A B3A 107.4(2) . . . . ?
B1A C7 B4A B9A 5.0(3) . . . . ?
B1A C7 B4A B5A 66.2(2) . . . . ?
B1A C7 B2A B3A -144.5(2) . . . . ?
B1A C7 B2A B6A -103.7(2) . . . . ?
B1A C7 B2A B7A -41.25(19) . . . . ?
B1A C7 B3A B4A -108.9(2) . . . . ?
B1A C7 B3A B2A 35.4(2) . . . . ?
B1A C7 B3A B6A -5.5(3) . . . . ?
B1A C7 B3A B5A -67.7(2) . . . . ?
B1A C9 C10 C11 179.5(2) . . . . ?
B1A C9 C14 C13 -179.4(3) . . . . ?
B1A B2A B3A C7 -31.99(19) . . . . ?
B1A B2A B3A B4A 0.3(3) . . . . ?
B1A B2A B3A B6A 100.9(2) . . . . ?
B1A B2A B3A B5A 63.5(3) . . . . ?
B1A B2A B6A B3A -101.8(2) . . . . ?
B1A B2A B6A B5A -64.6(3) . . . . ?
B1A B2A B6A B7A 36.7(2) . . . . ?
B1A B2A B6A B10A -0.9(3) . . . . ?
B1A B2A B7A B8A -38.8(2) . . . . ?
B1A B2A B7A B6A -139.1(2) . . . . ?
B1A B2A B7A B10A -102.0(2) . . . . ?
B1A B8A B7A B2A 38.8(2) . . . . ?
B1A B8A B7A B6A 102.1(2) . . . . ?
B1A B8A B7A B10A 138.9(2) . . . . ?
B1A B8A B10A B9A 101.7(2) . . . . ?
B1A B8A B10A B6A 0.9(3) . . . . ?
B1A B8A B10A B5A 64.7(3) . . . . ?
B1A B8A B10A B7A -36.7(2) . . . . ?
B1A B7A B10A B9A -0.2(3) . . . . ?
B1A B7A B10A B8A 37.1(2) . . . . ?
B1A B7A B10A B6A -101.2(2) . . . . ?
B1A B7A B10A B5A -63.5(3) . . . . ?
B9A C8 C7 B4A -40.1(2) . . . . ?
B9A C8 C7 B2A 69.2(2) . . . . ?
B9A C8 C7 B3A 0.1(3) . . . . ?
B9A C8 C7 B1A 109.3(2) . . . . ?
B9A C8 B4A C1 -114.3(3) . . . . ?
B9A C8 B4A C7 137.5(2) . . . . ?
B9A C8 B4A B3A 102.2(2) . . . . ?
B9A C8 B4A B5A 40.60(18) . . . . ?
B9A C8 B1A C7 -101.0(2) . . . . ?
B9A C8 B1A C9 150.9(2) . . . . ?
B9A C8 B1A B2A -65.6(2) . . . . ?
B9A C8 B1A B8A 36.5(2) . . . . ?
B9A C8 B1A B7A -4.1(3) . . . . ?
B9A C8 B8A B1A -143.4(2) . . . . ?
B9A C8 B8A B7A -102.5(2) . . . . ?
B9A C8 B8A B10A -40.2(2) . . . . ?
B9A B4A B3A C7 93.6(2) . . . . ?
B9A B4A B3A B2A 61.8(2) . . . . ?
B9A B4A B3A B6A -2.2(3) . . . . ?
B9A B4A B3A B5A -38.5(2) . . . . ?
B9A B4A B5A B3A 136.4(2) . . . . ?
B9A B4A B5A B6A 99.9(2) . . . . ?
B9A B4A B5A B10A 36.6(2) . . . . ?
B9A B8A B7A B2A -63.0(3) . . . . ?
B9A B8A B7A B1A -101.8(2) . . . . ?
B9A B8A B7A B6A 0.2(3) . . . . ?
B9A B8A B7A B10A 37.0(2) . . . . ?
B9A B8A B10A B6A -100.8(2) . . . . ?
B9A B8A B10A B5A -37.0(2) . . . . ?
B9A B8A B10A B7A -138.4(2) . . . . ?
B9A B5A B10A B8A 37.3(2) . . . . ?
B9A B5A B10A B6A 138.6(2) . . . . ?
B9A B5A B10A B7A 100.7(2) . . . . ?
B8A C8 C7 B4A -109.0(2) . . . . ?
B8A C8 C7 B2A 0.3(3) . . . . ?
B8A C8 C7 B3A -68.8(3) . . . . ?
B8A C8 C7 B1A 40.4(2) . . . . ?
B8A C8 B4A C1 -150.2(2) . . . . ?
B8A C8 B4A C7 101.6(2) . . . . ?
B8A C8 B4A B3A 66.3(2) . . . . ?
B8A C8 B4A B9A -35.9(2) . . . . ?
B8A C8 B4A B5A 4.7(3) . . . . ?
B8A C8 B1A C7 -137.5(2) . . . . ?
B8A C8 B1A C9 114.3(3) . . . . ?
B8A C8 B1A B2A -102.1(2) . . . . ?
B8A C8 B1A B7A -40.6(2) . . . . ?
B8A C8 B9A B4A 144.0(2) . . . . ?
B8A C8 B9A B5A 103.0(2) . . . . ?
B8A C8 B9A B10A 40.4(2) . . . . ?
B8A B1A B7A B2A -136.7(2) . . . . ?
B8A B1A B7A B6A -99.9(2) . . . . ?
B8A B1A B7A B10A -36.9(2) . . . . ?
B8A B9A B5A B4A 101.9(2) . . . . ?
B8A B9A B5A B3A 62.7(3) . . . . ?
B8A B9A B5A B6A -0.7(3) . . . . ?
B8A B9A B5A B10A -37.3(2) . . . . ?
B8A B9A B10A B6A 101.3(2) . . . . ?
B8A B9A B10A B5A 138.5(2) . . . . ?
B8A B9A B10A B7A 37.2(2) . . . . ?
B8A B7A B10A B9A -37.3(2) . . . . ?
B8A B7A B10A B6A -138.4(2) . . . . ?
B8A B7A B10A B5A -100.6(2) . . . . ?
B6A B2A B3A C7 -132.9(2) . . . . ?
B6A B2A B3A B4A -100.6(2) . . . . ?
B6A B2A B3A B5A -37.5(2) . . . . ?
B6A B2A B1A C8 60.7(2) . . . . ?
B6A B2A B1A C7 95.4(2) . . . . ?
B6A B2A B1A C9 -157.9(2) . . . . ?
B6A B2A B1A B8A 1.4(3) . . . . ?
B6A B2A B1A B7A -36.9(2) . . . . ?
B6A B2A B7A B1A 139.1(2) . . . . ?
B6A B2A B7A B8A 100.2(2) . . . . ?
B6A B2A B7A B10A 37.1(2) . . . . ?
B6A B3A B5A B4A -139.6(2) . . . . ?
B6A B3A B5A B9A -100.3(2) . . . . ?
B6A B3A B5A B10A -37.2(2) . . . . ?
B6A B5A B10A B9A -138.6(2) . . . . ?
B6A B5A B10A B8A -101.4(2) . . . . ?
B6A B5A B10A B7A -37.9(2) . . . . ?
B6A B7A B10A B9A 101.0(2) . . . . ?
B6A B7A B10A B8A 138.4(2) . . . . ?
B6A B7A B10A B5A 37.7(2) . . . . ?
B5A B4A B3A C7 132.1(2) . . . . ?
B5A B4A B3A B2A 100.2(2) . . . . ?
B5A B4A B3A B6A 36.3(2) . . . . ?
B5A B4A B9A C8 -132.6(2) . . . . ?
B5A B4A B9A B8A -100.8(2) . . . . ?
B5A B4A B9A B10A -36.9(2) . . . . ?
B5A B3A B6A B2A 138.2(2) . . . . ?
B5A B3A B6A B7A 101.3(2) . . . . ?
B5A B3A B6A B10A 37.8(2) . . . . ?
B5A B9A B8A C8 -96.0(2) . . . . ?
B5A B9A B8A B1A -63.0(3) . . . . ?
B5A B9A B8A B7A 0.3(3) . . . . ?
B5A B9A B8A B10A 37.5(2) . . . . ?
B5A B9A B10A B8A -138.5(2) . . . . ?
B5A B9A B10A B6A -37.2(2) . . . . ?
B5A B9A B10A B7A -101.3(2) . . . . ?
B5A B6A B7A B2A 100.2(2) . . . . ?
B5A B6A B7A B1A 63.3(3) . . . . ?
B5A B6A B7A B8A -0.7(3) . . . . ?
B5A B6A B7A B10A -37.7(2) . . . . ?
B5A B6A B10A B9A 36.9(2) . . . . ?
B5A B6A B10A B8A 100.7(2) . . . . ?
B5A B6A B10A B7A 138.1(2) . . . . ?
B7A B2A B3A C7 -95.5(2) . . . . ?
B7A B2A B3A B4A -63.2(3) . . . . ?
B7A B2A B3A B6A 37.4(2) . . . . ?
B7A B2A B3A B5A -0.1(3) . . . . ?
B7A B2A B1A C8 97.6(2) . . . . ?
B7A B2A B1A C7 132.3(2) . . . . ?
B7A B2A B1A C9 -120.9(3) . . . . ?
B7A B2A B1A B8A 38.4(2) . . . . ?
B7A B2A B6A B3A -138.5(2) . . . . ?
B7A B2A B6A B5A -101.3(2) . . . . ?
B7A B2A B6A B10A -37.6(2) . . . . ?
B7A B1A B8A C8 132.8(2) . . . . ?
B7A B1A B8A B9A 100.3(2) . . . . ?
B7A B1A B8A B10A 36.9(2) . . . . ?
B7A B8A B10A B9A 138.4(2) . . . . ?
B7A B8A B10A B6A 37.6(2) . . . . ?
B7A B8A B10A B5A 101.4(2) . . . . ?
B7A B6A B5A B4A -63.6(3) . . . . ?
B7A B6A B5A B3A -100.2(2) . . . . ?
B7A B6A B5A B9A 0.8(3) . . . . ?
B7A B6A B5A B10A 37.7(2) . . . . ?
B7A B6A B10A B9A -101.1(2) . . . . ?
B7A B6A B10A B8A -37.3(2) . . . . ?
B7A B6A B10A B5A -138.1(2) . . . . ?
B10A B9A B8A C8 -133.5(2) . . . . ?
B10A B9A B8A B1A -100.5(2) . . . . ?
B10A B9A B8A B7A -37.2(2) . . . . ?
B10A B9A B5A B4A 139.2(2) . . . . ?
B10A B9A B5A B3A 100.0(2) . . . . ?
B10A B9A B5A B6A 36.6(2) . . . . ?
B10A B8A B7A B2A -100.1(2) . . . . ?
B10A B8A B7A B1A -138.9(2) . . . . ?
B10A B8A B7A B6A -36.8(2) . . . . ?
B10A B6A B5A B4A -101.2(2) . . . . ?
B10A B6A B5A B3A -137.9(2) . . . . ?
B10A B6A B5A B9A -36.8(2) . . . . ?
B10A B6A B7A B2A 137.9(2) . . . . ?
B10A B6A B7A B1A 101.0(2) . . . . ?
B10A B6A B7A B8A 37.1(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
