# 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 
# 
# 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_202107200
_database_code_depnum_ccdc_archive 'CCDC 2268196'
loop_
_audit_author_name
_audit_author_address
mayanna
;Zhengzhou University
China
;
_audit_update_record             
;
2023-06-07 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_audit_creation_date             2021-07-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C8 H30 B20'
_chemical_formula_sum            'C8 H30 B20'
_chemical_formula_weight         342.52
_chemical_melting_point          ?
_chemical_oxdiff_formula         C30H3O5N2B10
_chemical_oxdiff_usercomment     r
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      orthorhombic
_space_group_IT_number           58
_space_group_name_H-M_alt        'P n n m'
_space_group_name_Hall           '-P 2 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'-x-1/2, y-1/2, z-1/2'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.5876(5)
_cell_length_b                   11.2736(5)
_cell_length_c                   10.0616(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1087.53(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1541
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.6290
_cell_measurement_theta_min      3.9130
_shelx_estimated_absorpt_T_max   0.972
_shelx_estimated_absorpt_T_min   0.958
_exptl_absorpt_coefficient_mu    0.289
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75854
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.046
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             356
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_unetI/netI     0.0188
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3815
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.045
_diffrn_reflns_theta_max         67.044
_diffrn_reflns_theta_min         5.895
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00  36.00   1.00    2.00    --  -33.50  77.00 -90.00   98
  2  ω   -103.00  -5.00   1.00    2.00    --  -33.50 -77.00  60.00   98
  3  ω    -52.00  35.00   1.00    2.00    --  -33.50  57.00-180.00   87
  4  ω     58.00 110.00   1.00    2.00    --   36.47 178.00  90.00   52
  5  ω     27.00 102.00   1.00    2.00    --   36.47  57.00-120.00   75
  6  ω     61.00 101.00   1.00    2.00    --   36.47  57.00 150.00   40
  7  ω     20.00  53.00   1.00    2.00    --   36.47  57.00 150.00   33
  8  ω     46.00 108.00   1.00    8.00    --  108.00 -45.00   0.00   62
  9  ω     95.00 140.00   1.00    8.00    --  108.00  45.00-150.00   45
 10  ω     37.00 127.00   1.00    8.00    --  108.00 -30.00-180.00   90
 11  ω     38.00 122.00   1.00    8.00    --  108.00 -45.00 -60.00   84
 12  ω     62.00  87.00   1.00    8.00    --  108.00 -94.00  60.00   25
 13  ω     40.00 108.00   1.00    8.00    --  108.00 -94.00 -30.00   68
 14  ω     82.00 146.00   1.00    8.00    --  108.00  30.00   0.00   64
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0115824000
_diffrn_orient_matrix_UB_12      -0.1325107000
_diffrn_orient_matrix_UB_13      -0.0351723000
_diffrn_orient_matrix_UB_21      -0.0270680000
_diffrn_orient_matrix_UB_22      -0.0293132000
_diffrn_orient_matrix_UB_23      0.1473403000
_diffrn_orient_matrix_UB_31      -0.1580682000
_diffrn_orient_matrix_UB_32      0.0147369000
_diffrn_orient_matrix_UB_33      -0.0226953000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                873
_reflns_number_total             1033
_reflns_odcompleteness_completeness 99.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.309
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     75
_refine_ls_number_reflns         1033
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0603
_refine_ls_restrained_S_all      1.129
_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)+(0.1314P)²+0.1034P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1750
_refine_ls_wR_factor_ref         0.1858
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C2-C1
 1.4 with sigma of 0.02
 C3-C1
 1.55 with sigma of 0.02
3. Others
 Fixed Sof: H3A(0.5) H3B(0.5) H3C(0.5) H4A(0.5) H4B(0.5) H4C(0.5)
4.a Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C)
4.b Boron cage BH refined with riding coordinates:
 B1(H1), B2(H2), B3(H3), B4(H4), B5(H5)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
C1 C 0.29478(19) 0.81042(19) 0.5000 0.0425(6) Uani 1 2 d DS T P . .
C2 C 0.2104(2) 0.68103(19) 0.5000 0.0480(6) Uani 1 2 d DS T P . .
C3 C 0.4533(2) 0.8110(2) 0.5000 0.0600(7) Uani 1 2 d DS T P . .
H3A H 0.4871 0.7407 0.5431 0.090 Uiso 0.5 1 calc GR . . A -1
H3B H 0.4863 0.8797 0.5468 0.090 Uiso 0.5 1 calc GR . . A -1
H3C H 0.4867 0.8131 0.4101 0.090 Uiso 0.5 1 calc GR . . A -1
C4 C 0.2945(3) 0.5656(2) 0.5000 0.0701(8) Uani 1 2 d S T P . .
H4A H 0.3781 0.5762 0.4488 0.105 Uiso 0.5 1 calc GR . . B -1
H4B H 0.2396 0.5032 0.4615 0.105 Uiso 0.5 1 calc GR . . B -1
H4C H 0.3186 0.5449 0.5897 0.105 Uiso 0.5 1 calc GR . . B -1
B1 B 0.20325(15) 0.91429(14) 0.41208(15) 0.0386(5) Uani 1 1 d . . . . .
H1 H 0.2519 0.9866 0.3551 0.046 Uiso 1 1 calc R . . . .
B2 B 0.21167(17) 0.76502(15) 0.35723(17) 0.0460(5) Uani 1 1 d . . . . .
H2 H 0.2661 0.7394 0.2654 0.055 Uiso 1 1 calc R . . . .
B3 B 0.05912(19) 0.69167(15) 0.41158(19) 0.0514(5) Uani 1 1 d . . . . .
H3 H 0.0130 0.6184 0.3542 0.062 Uiso 1 1 calc R . . . .
B4 B -0.0446(2) 0.7953(2) 0.5000 0.0451(6) Uani 1 2 d S T P . .
H4 H -0.1592 0.7900 0.5000 0.054 Uiso 1 2 calc RS T P . .
B5 B 0.05105(16) 0.84120(14) 0.35670(16) 0.0422(5) Uani 1 1 d . . . . .
H5 H -0.0008 0.8661 0.2633 0.051 Uiso 1 1 calc R . . . .
B6 B 0.0430(2) 0.93477(17) 0.5000 0.0351(5) Uani 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.668(3) . ?
C1 C3 1.520(3) . ?
C1 B1 1.710(2) 6_556 ?
C1 B1 1.710(2) . ?
C1 B2 1.721(2) . ?
C1 B2 1.721(2) 6_556 ?
C2 C4 1.531(3) . ?
C2 B2 1.721(2) . ?
C2 B2 1.721(2) 6_556 ?
C2 B3 1.705(2) . ?
C2 B3 1.705(2) 6_556 ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
B1 B1 1.769(3) 6_556 ?
B1 H1 1.1000 . ?
B1 B2 1.773(2) . ?
B1 B5 1.766(2) . ?
B1 B6 1.788(2) . ?
B2 H2 1.1000 . ?
B2 B3 1.767(2) . ?
B2 B5 1.763(2) . ?
B3 B3 1.779(4) 6_556 ?
B3 H3 1.1000 . ?
B3 B4 1.774(3) . ?
B3 B5 1.776(2) . ?
B4 B3 1.774(3) 6_556 ?
B4 H4 1.1000 . ?
B4 B5 1.786(2) 6_556 ?
B4 B5 1.786(2) . ?
B4 B6 1.783(3) . ?
B5 H5 1.1000 . ?
B5 B6 1.7882(19) . ?
B6 B1 1.788(2) 6_556 ?
B6 B5 1.7882(19) 6_556 ?
B6 B6 1.686(4) 5_576 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 B1 110.48(12) . . ?
C2 C1 B1 110.48(12) . 6_556 ?
C2 C1 B2 61.00(9) . 6_556 ?
C2 C1 B2 61.00(9) . . ?
C3 C1 C2 119.3(2) . . ?
C3 C1 B1 120.67(16) . 6_556 ?
C3 C1 B1 120.67(16) . . ?
C3 C1 B2 117.68(10) . 6_556 ?
C3 C1 B2 117.68(10) . . ?
B1 C1 B1 62.30(12) . 6_556 ?
B1 C1 B2 113.45(13) . 6_556 ?
B1 C1 B2 62.23(9) . . ?
B1 C1 B2 113.45(13) 6_556 . ?
B1 C1 B2 62.23(9) 6_556 6_556 ?
B2 C1 B2 113.21(16) 6_556 . ?
C1 C2 B2 61.01(9) . . ?
C1 C2 B2 61.01(9) . 6_556 ?
C1 C2 B3 110.55(13) . 6_556 ?
C1 C2 B3 110.55(13) . . ?
C4 C2 C1 119.2(2) . . ?
C4 C2 B2 117.64(10) . . ?
C4 C2 B2 117.64(10) . 6_556 ?
C4 C2 B3 120.51(16) . . ?
C4 C2 B3 120.51(16) . 6_556 ?
B2 C2 B2 113.22(16) . 6_556 ?
B3 C2 B2 113.77(13) 6_556 . ?
B3 C2 B2 62.09(9) 6_556 6_556 ?
B3 C2 B2 62.09(9) . . ?
B3 C2 B2 113.77(13) . 6_556 ?
B3 C2 B3 62.89(15) 6_556 . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C1 B1 B1 58.85(6) . 6_556 ?
C1 B1 H1 124.0 . . ?
C1 B1 B2 59.18(9) . . ?
C1 B1 B5 105.53(12) . . ?
C1 B1 B6 105.87(11) . . ?
B1 B1 H1 121.4 6_556 . ?
B1 B1 B2 108.14(8) 6_556 . ?
B1 B1 B6 60.34(6) 6_556 . ?
B2 B1 H1 121.5 . . ?
B2 B1 B6 108.41(11) . . ?
B5 B1 B1 108.39(7) . 6_556 ?
B5 B1 H1 122.1 . . ?
B5 B1 B2 59.77(9) . . ?
B5 B1 B6 60.42(8) . . ?
B6 B1 H1 121.7 . . ?
C1 B2 B1 58.59(10) . . ?
C1 B2 H2 124.1 . . ?
C1 B2 B3 105.32(12) . . ?
C1 B2 B5 105.19(12) . . ?
C2 B2 C1 57.99(11) . . ?
C2 B2 B1 105.20(12) . . ?
C2 B2 H2 124.1 . . ?
C2 B2 B3 58.54(10) . . ?
C2 B2 B5 105.32(12) . . ?
B1 B2 H2 122.2 . . ?
B3 B2 B1 108.07(11) . . ?
B3 B2 H2 122.0 . . ?
B5 B2 B1 59.92(8) . . ?
B5 B2 H2 122.7 . . ?
B5 B2 B3 60.39(9) . . ?
C2 B3 B2 59.37(10) . . ?
C2 B3 B3 58.56(7) . 6_556 ?
C2 B3 H3 124.2 . . ?
C2 B3 B4 105.16(12) . . ?
C2 B3 B5 105.43(12) . . ?
B2 B3 B3 108.03(8) . 6_556 ?
B2 B3 H3 121.4 . . ?
B2 B3 B4 108.13(12) . . ?
B2 B3 B5 59.70(9) . . ?
B3 B3 H3 121.7 6_556 . ?
B4 B3 B3 59.90(7) . 6_556 ?
B4 B3 H3 122.2 . . ?
B4 B3 B5 60.40(9) . . ?
B5 B3 B3 108.12(8) . 6_556 ?
B5 B3 H3 122.1 . . ?
B3 B4 B3 60.21(14) 6_556 . ?
B3 B4 H4 121.6 6_556 . ?
B3 B4 H4 121.6 . . ?
B3 B4 B5 107.92(14) 6_556 . ?
B3 B4 B5 59.85(9) 6_556 6_556 ?
B3 B4 B5 107.92(14) . 6_556 ?
B3 B4 B5 59.85(9) . . ?
B3 B4 B6 108.45(13) . . ?
B3 B4 B6 108.45(13) 6_556 . ?
B5 B4 H4 121.9 6_556 . ?
B5 B4 H4 121.9 . . ?
B5 B4 B5 107.70(15) . 6_556 ?
B6 B4 H4 121.3 . . ?
B6 B4 B5 60.15(8) . . ?
B6 B4 B5 60.15(8) . 6_556 ?
B1 B5 B3 107.99(11) . . ?
B1 B5 B4 107.76(11) . . ?
B1 B5 H5 121.6 . . ?
B1 B5 B6 60.39(9) . . ?
B2 B5 B1 60.31(9) . . ?
B2 B5 B3 59.90(10) . . ?
B2 B5 B4 107.77(12) . . ?
B2 B5 H5 121.4 . . ?
B2 B5 B6 108.82(11) . . ?
B3 B5 B4 59.75(10) . . ?
B3 B5 H5 121.9 . . ?
B3 B5 B6 108.14(11) . . ?
B4 B5 H5 122.1 . . ?
B4 B5 B6 59.85(10) . . ?
B6 B5 H5 121.3 . . ?
B1 B6 B1 59.32(11) 6_556 . ?
B1 B6 B5 106.61(12) . 6_556 ?
B1 B6 B5 59.19(8) . . ?
B1 B6 B5 59.19(8) 6_556 6_556 ?
B1 B6 B5 106.61(12) 6_556 . ?
B4 B6 B1 106.93(12) . . ?
B4 B6 B1 106.93(12) . 6_556 ?
B4 B6 B5 60.00(8) . 6_556 ?
B4 B6 B5 60.00(8) . . ?
B5 B6 B5 107.47(14) . 6_556 ?
B6 B6 B1 122.21(16) 5_576 . ?
B6 B6 B1 122.21(16) 5_576 6_556 ?
B6 B6 B4 122.59(19) 5_576 . ?
B6 B6 B5 122.38(9) 5_576 . ?
B6 B6 B5 122.38(9) 5_576 6_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
C1 C2 B2 B1 -36.23(11) . . . . ?
C1 C2 B2 B3 -138.39(14) . . . . ?
C1 C2 B2 B5 -98.58(13) . . . . ?
C1 C2 B3 B2 38.34(10) . . . . ?
C1 C2 B3 B3 -103.25(10) . . . 6_556 ?
C1 C2 B3 B4 -64.04(13) . . . . ?
C1 C2 B3 B5 -1.17(14) . . . . ?
C1 B1 B2 C2 35.96(11) . . . . ?
C1 B1 B2 B3 97.26(13) . . . . ?
C1 B1 B2 B5 135.12(12) . . . . ?
C1 B1 B5 B2 -38.97(10) . . . . ?
C1 B1 B5 B3 -1.35(14) . . . . ?
C1 B1 B5 B4 61.76(14) . . . . ?
C1 B1 B5 B6 99.71(11) . . . . ?
C1 B1 B6 B1 38.67(12) . . . 6_556 ?
C1 B1 B6 B4 -61.32(12) . . . . ?
C1 B1 B6 B5 1.65(15) . . . 6_556 ?
C1 B1 B6 B5 -99.13(12) . . . . ?
C1 B1 B6 B6 149.69(12) . . . 5_576 ?
C1 B2 B3 C2 -35.72(12) . . . . ?
C1 B2 B3 B3 -1.84(12) . . . 6_556 ?
C1 B2 B3 B4 61.51(15) . . . . ?
C1 B2 B3 B5 99.03(12) . . . . ?
C1 B2 B5 B1 38.61(11) . . . . ?
C1 B2 B5 B3 -99.24(13) . . . . ?
C1 B2 B5 B4 -62.10(15) . . . . ?
C1 B2 B5 B6 1.28(15) . . . . ?
C2 C1 B1 B1 103.05(10) . . . 6_556 ?
C2 C1 B1 B2 -38.61(10) . . . . ?
C2 C1 B1 B5 0.65(13) . . . . ?
C2 C1 B1 B6 63.67(12) . . . . ?
C2 C1 B2 B1 138.06(13) . . . . ?
C2 C1 B2 B3 35.96(12) . . . . ?
C2 C1 B2 B5 98.81(13) . . . . ?
C2 B2 B3 B3 33.88(8) . . . 6_556 ?
C2 B2 B3 B4 97.24(13) . . . . ?
C2 B2 B3 B5 134.75(12) . . . . ?
C2 B2 B5 B1 98.94(13) . . . . ?
C2 B2 B5 B3 -38.91(11) . . . . ?
C2 B2 B5 B4 -1.77(15) . . . . ?
C2 B2 B5 B6 61.61(14) . . . . ?
C2 B3 B4 B3 -38.57(14) . . . 6_556 ?
C2 B3 B4 B5 -1.08(16) . . . 6_556 ?
C2 B3 B4 B5 99.39(13) . . . . ?
C2 B3 B4 B6 62.58(13) . . . . ?
C2 B3 B5 B1 1.54(15) . . . . ?
C2 B3 B5 B2 39.34(10) . . . . ?
C2 B3 B5 B4 -98.93(13) . . . . ?
C2 B3 B5 B6 -62.33(14) . . . . ?
C3 C1 C2 C4 0.0 . . . . ?
C3 C1 C2 B2 -107.34(8) . . . . ?
C3 C1 C2 B2 107.34(8) . . . 6_556 ?
C3 C1 C2 B3 146.14(9) . . . 6_556 ?
C3 C1 C2 B3 -146.14(9) . . . . ?
C3 C1 B1 B1 -111.01(15) . . . 6_556 ?
C3 C1 B1 B2 107.34(14) . . . . ?
C3 C1 B1 B5 146.60(14) . . . . ?
C3 C1 B1 B6 -150.38(13) . . . . ?
C3 C1 B2 C2 109.9(2) . . . . ?
C3 C1 B2 B1 -112.0(2) . . . . ?
C3 C1 B2 B3 145.89(18) . . . . ?
C3 C1 B2 B5 -151.26(18) . . . . ?
C4 C2 B2 C1 -109.8(2) . . . . ?
C4 C2 B2 B1 -146.05(17) . . . . ?
C4 C2 B2 B3 111.8(2) . . . . ?
C4 C2 B2 B5 151.59(18) . . . . ?
C4 C2 B3 B2 -107.29(14) . . . . ?
C4 C2 B3 B3 111.12(16) . . . 6_556 ?
C4 C2 B3 B4 150.33(13) . . . . ?
C4 C2 B3 B5 -146.80(14) . . . . ?
B1 C1 C2 C4 -146.48(8) 6_556 . . . ?
B1 C1 C2 C4 146.48(8) . . . . ?
B1 C1 C2 B2 39.14(10) . . . . ?
B1 C1 C2 B2 106.18(12) 6_556 . . . ?
B1 C1 C2 B2 -106.18(12) . . . 6_556 ?
B1 C1 C2 B2 -39.14(10) 6_556 . . 6_556 ?
B1 C1 C2 B3 0.34(13) . . . . ?
B1 C1 C2 B3 -67.37(10) . . . 6_556 ?
B1 C1 C2 B3 -0.34(13) 6_556 . . 6_556 ?
B1 C1 C2 B3 67.38(10) 6_556 . . . ?
B1 C1 B1 B2 -141.65(10) 6_556 . . . ?
B1 C1 B1 B5 -102.40(9) 6_556 . . . ?
B1 C1 B1 B6 -39.38(12) 6_556 . . . ?
B1 C1 B2 C2 -138.06(13) . . . . ?
B1 C1 B2 C2 -101.28(14) 6_556 . . . ?
B1 C1 B2 B1 36.78(11) 6_556 . . . ?
B1 C1 B2 B3 -65.32(16) 6_556 . . . ?
B1 C1 B2 B3 -102.10(11) . . . . ?
B1 C1 B2 B5 -2.47(17) 6_556 . . . ?
B1 C1 B2 B5 -39.25(11) . . . . ?
B1 B1 B2 C1 -33.97(8) 6_556 . . . ?
B1 B1 B2 C2 1.99(11) 6_556 . . . ?
B1 B1 B2 B3 63.29(11) 6_556 . . . ?
B1 B1 B2 B5 101.15(8) 6_556 . . . ?
B1 B1 B5 B2 -100.72(8) 6_556 . . . ?
B1 B1 B5 B3 -63.10(10) 6_556 . . . ?
B1 B1 B5 B4 0.02(12) 6_556 . . . ?
B1 B1 B5 B6 37.97(7) 6_556 . . . ?
B1 B1 B6 B4 -99.98(8) 6_556 . . . ?
B1 B1 B6 B5 -137.80(9) 6_556 . . . ?
B1 B1 B6 B5 -37.02(7) 6_556 . . 6_556 ?
B1 B1 B6 B6 111.02(15) 6_556 . . 5_576 ?
B1 B2 B3 C2 -97.10(13) . . . . ?
B1 B2 B3 B3 -63.22(10) . . . 6_556 ?
B1 B2 B3 B4 0.14(15) . . . . ?
B1 B2 B3 B5 37.65(11) . . . . ?
B1 B2 B5 B3 -137.85(13) . . . . ?
B1 B2 B5 B4 -100.72(12) . . . . ?
B1 B2 B5 B6 -37.33(11) . . . . ?
B1 B5 B6 B1 -37.08(10) . . . 6_556 ?
B1 B5 B6 B4 -137.37(13) . . . . ?
B1 B5 B6 B5 -99.27(13) . . . 6_556 ?
B1 B5 B6 B6 110.9(2) . . . 5_576 ?
B2 C1 C2 C4 -107.34(8) 6_556 . . . ?
B2 C1 C2 C4 107.34(8) . . . . ?
B2 C1 C2 B2 -145.32(15) . . . 6_556 ?
B2 C1 C2 B2 145.32(15) 6_556 . . . ?
B2 C1 C2 B3 106.52(13) 6_556 . . . ?
B2 C1 C2 B3 -106.52(13) . . . 6_556 ?
B2 C1 C2 B3 38.81(11) 6_556 . . 6_556 ?
B2 C1 C2 B3 -38.80(11) . . . . ?
B2 C1 B1 B1 141.65(10) . . . 6_556 ?
B2 C1 B1 B1 36.76(9) 6_556 . . 6_556 ?
B2 C1 B1 B2 -104.90(17) 6_556 . . . ?
B2 C1 B1 B5 39.26(10) . . . . ?
B2 C1 B1 B5 -65.64(15) 6_556 . . . ?
B2 C1 B1 B6 102.27(11) . . . . ?
B2 C1 B1 B6 -2.62(17) 6_556 . . . ?
B2 C1 B2 C2 -32.78(14) 6_556 . . . ?
B2 C1 B2 B1 105.28(15) 6_556 . . . ?
B2 C1 B2 B3 3.2(2) 6_556 . . . ?
B2 C1 B2 B5 66.03(18) 6_556 . . . ?
B2 C2 B2 C1 32.78(14) 6_556 . . . ?
B2 C2 B2 B1 -3.45(19) 6_556 . . . ?
B2 C2 B2 B3 -105.61(15) 6_556 . . . ?
B2 C2 B2 B5 -65.80(17) 6_556 . . . ?
B2 C2 B3 B2 104.72(17) 6_556 . . . ?
B2 C2 B3 B3 -36.86(8) 6_556 . . 6_556 ?
B2 C2 B3 B3 -141.59(10) . . . 6_556 ?
B2 C2 B3 B4 2.35(18) 6_556 . . . ?
B2 C2 B3 B4 -102.37(12) . . . . ?
B2 C2 B3 B5 -39.50(11) . . . . ?
B2 C2 B3 B5 65.22(16) 6_556 . . . ?
B2 B1 B5 B3 37.62(11) . . . . ?
B2 B1 B5 B4 100.74(13) . . . . ?
B2 B1 B5 B6 138.68(11) . . . . ?
B2 B1 B6 B1 100.84(10) . . . 6_556 ?
B2 B1 B6 B4 0.86(12) . . . . ?
B2 B1 B6 B5 63.82(13) . . . 6_556 ?
B2 B1 B6 B5 -36.95(10) . . . . ?
B2 B1 B6 B6 -148.14(13) . . . 5_576 ?
B2 B3 B4 B3 -100.75(11) . . . 6_556 ?
B2 B3 B4 B5 37.20(11) . . . . ?
B2 B3 B4 B5 -63.27(15) . . . 6_556 ?
B2 B3 B4 B6 0.40(14) . . . . ?
B2 B3 B5 B1 -37.80(11) . . . . ?
B2 B3 B5 B4 -138.28(13) . . . . ?
B2 B3 B5 B6 -101.68(12) . . . . ?
B2 B5 B6 B1 37.30(10) . . . . ?
B2 B5 B6 B1 0.22(15) . . . 6_556 ?
B2 B5 B6 B4 -100.08(13) . . . . ?
B2 B5 B6 B5 -61.98(16) . . . 6_556 ?
B2 B5 B6 B6 148.19(19) . . . 5_576 ?
B3 C2 B2 C1 138.39(14) . . . . ?
B3 C2 B2 C1 101.21(15) 6_556 . . . ?
B3 C2 B2 B1 102.16(12) . . . . ?
B3 C2 B2 B1 64.98(16) 6_556 . . . ?
B3 C2 B2 B3 -37.18(13) 6_556 . . . ?
B3 C2 B2 B5 39.81(11) . . . . ?
B3 C2 B2 B5 2.63(17) 6_556 . . . ?
B3 C2 B3 B2 141.59(10) 6_556 . . . ?
B3 C2 B3 B4 39.21(14) 6_556 . . . ?
B3 C2 B3 B5 102.08(11) 6_556 . . . ?
B3 B2 B5 B1 137.85(13) . . . . ?
B3 B2 B5 B4 37.14(12) . . . . ?
B3 B2 B5 B6 100.52(13) . . . . ?
B3 B3 B4 B5 37.49(7) 6_556 . . 6_556 ?
B3 B3 B4 B5 137.96(9) 6_556 . . . ?
B3 B3 B4 B6 101.15(9) 6_556 . . . ?
B3 B3 B5 B1 62.92(10) 6_556 . . . ?
B3 B3 B5 B2 100.72(8) 6_556 . . . ?
B3 B3 B5 B4 -37.56(8) 6_556 . . . ?
B3 B3 B5 B6 -0.96(11) 6_556 . . . ?
B3 B4 B5 B1 -63.23(15) 6_556 . . . ?
B3 B4 B5 B1 -100.88(12) . . . . ?
B3 B4 B5 B2 0.44(16) 6_556 . . . ?
B3 B4 B5 B2 -37.20(11) . . . . ?
B3 B4 B5 B3 37.65(11) 6_556 . . . ?
B3 B4 B5 B6 -101.42(13) 6_556 . . . ?
B3 B4 B5 B6 -139.06(12) . . . . ?
B3 B4 B6 B1 -0.77(12) . . . . ?
B3 B4 B6 B1 0.77(12) 6_556 . . 6_556 ?
B3 B4 B6 B1 -63.07(10) . . . 6_556 ?
B3 B4 B6 B1 63.07(10) 6_556 . . . ?
B3 B4 B6 B5 -100.52(13) . . . 6_556 ?
B3 B4 B6 B5 36.67(9) . . . . ?
B3 B4 B6 B5 -36.68(9) 6_556 . . 6_556 ?
B3 B4 B6 B5 100.51(13) 6_556 . . . ?
B3 B4 B6 B6 -148.08(8) 6_556 . . 5_576 ?
B3 B4 B6 B6 148.08(8) . . . 5_576 ?
B3 B5 B6 B1 100.82(12) . . . . ?
B3 B5 B6 B1 63.74(14) . . . 6_556 ?
B3 B5 B6 B4 -36.55(12) . . . . ?
B3 B5 B6 B5 1.54(17) . . . 6_556 ?
B3 B5 B6 B6 -148.28(19) . . . 5_576 ?
B4 B3 B5 B1 100.48(12) . . . . ?
B4 B3 B5 B2 138.28(13) . . . . ?
B4 B3 B5 B6 36.60(11) . . . . ?
B4 B5 B6 B1 100.30(12) . . . 6_556 ?
B4 B5 B6 B1 137.37(12) . . . . ?
B4 B5 B6 B5 38.10(13) . . . 6_556 ?
B4 B5 B6 B6 -111.7(2) . . . 5_576 ?
B5 B1 B2 C1 -135.12(12) . . . . ?
B5 B1 B2 C2 -99.15(13) . . . . ?
B5 B1 B2 B3 -37.86(11) . . . . ?
B5 B1 B6 B1 137.80(9) . . . 6_556 ?
B5 B1 B6 B4 37.81(9) . . . . ?
B5 B1 B6 B5 100.78(15) . . . 6_556 ?
B5 B1 B6 B6 -111.18(13) . . . 5_576 ?
B5 B2 B3 C2 -134.75(12) . . . . ?
B5 B2 B3 B3 -100.87(7) . . . 6_556 ?
B5 B2 B3 B4 -37.51(10) . . . . ?
B5 B3 B4 B3 -137.96(9) . . . 6_556 ?
B5 B3 B4 B5 -100.47(15) . . . 6_556 ?
B5 B3 B4 B6 -36.80(9) . . . . ?
B5 B4 B5 B1 -0.03(19) 6_556 . . . ?
B5 B4 B5 B2 63.64(17) 6_556 . . . ?
B5 B4 B5 B3 100.84(15) 6_556 . . . ?
B5 B4 B5 B6 -38.22(13) 6_556 . . . ?
B5 B4 B6 B1 99.74(11) 6_556 . . . ?
B5 B4 B6 B1 -37.45(9) . . . . ?
B5 B4 B6 B1 -99.74(11) . . . 6_556 ?
B5 B4 B6 B1 37.45(9) 6_556 . . 6_556 ?
B5 B4 B6 B5 -137.19(15) . . . 6_556 ?
B5 B4 B6 B5 137.19(15) 6_556 . . . ?
B5 B4 B6 B6 111.41(8) . . . 5_576 ?
B5 B4 B6 B6 -111.40(8) 6_556 . . 5_576 ?
B6 B1 B2 C1 -97.88(11) . . . . ?
B6 B1 B2 C2 -61.92(13) . . . . ?
B6 B1 B2 B3 -0.62(14) . . . . ?
B6 B1 B2 B5 37.24(9) . . . . ?
B6 B1 B5 B2 -138.68(11) . . . . ?
B6 B1 B5 B3 -101.06(12) . . . . ?
B6 B1 B5 B4 -37.94(11) . . . . ?
B6 B4 B5 B1 38.19(11) . . . . ?
B6 B4 B5 B2 101.86(12) . . . . ?
B6 B4 B5 B3 139.06(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.471
_oxdiff_exptl_absorpt_empirical_full_min 0.888
####################################################################### 
# 
# 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_202305124
_database_code_depnum_ccdc_archive 'CCDC 2268198'
_audit_update_record             
;
2023-09-13 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_audit_creation_date             2023-05-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.5(C4 H20 B20 Cl2), 0.5(C4 H19 B20 Cl2), 0.25(C0.5 Cl2), 0.25(C0.5 Cl0.97), 0.25(C0.5 Cl1.03)'
_chemical_formula_sum            'C4 H20 B20 Cl2 O0.06'
_chemical_formula_weight         356.30
_chemical_absolute_configuration .
_chemical_melting_point          ?
_chemical_oxdiff_formula         C20H20N2O2B10Cl2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, 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'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   13.41936(17)
_cell_length_b                   25.1700(3)
_cell_length_c                   25.1694(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8501.36(18)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    6518
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.3770
_cell_measurement_theta_min      4.1270
_shelx_estimated_absorpt_T_max   0.783
_shelx_estimated_absorpt_T_min   0.698
_exptl_absorpt_coefficient_mu    2.579
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74172
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.114
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2856
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            18156
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.405
_diffrn_reflns_theta_min         3.512
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -22.00  34.00   0.50    3.50    --  -33.50  57.00 120.00  112
  2  ω      2.00  28.00   0.50    3.50    --  -33.50  77.00 -90.00   52
  3  ω   -100.00 -34.00   0.50    3.50    --  -33.50 -57.00-180.00  132
  4  ω    -86.00 -36.00   0.50    3.50    --  -33.50 178.00-120.00  100
  5  ω   -107.00 -35.00   0.50    3.50    --  -33.50 178.00 -30.00  144
  6  ω     48.00  88.00   0.50    3.50    --   36.47-127.00-142.00   80
  7  ω     34.00  75.00   0.50    3.50    --   36.47 -99.00   0.00   82
  8  ω    119.00 154.00   0.50   17.50    --  108.00  77.00 120.00   70
  9  ω    101.00 135.00   0.50   17.50    --  108.00  77.00-120.00   68
 10  ω     65.00 109.00   0.50   17.50    --  108.00-111.00 -60.00   88
 11  ω    142.00 172.00   0.50   17.50    --  108.00 111.00  90.00   60
 12  ω     44.00 120.00   0.50   17.50    --  108.00 -45.00 -60.00  152
 13  ω    107.00 173.00   0.50   17.50    --  108.00 111.00-120.00  132
 14  ω     39.00 105.00   0.50   17.50    --  108.00 -94.00-180.00  132
 15  ω    119.00 153.00   0.50   17.50    --  108.00 111.00 -30.00   68
 16  ω     75.00 133.00   0.50   17.50    --  108.00 178.00-180.00  116
 17  ω     95.00 178.00   0.50   17.50    --  108.00  45.00 -60.00  166
 18  ω    -15.00  11.00   0.50   10.00    --  -33.50  37.00-180.00   52
 19  ω      2.00  35.00   0.50   10.00    --  -33.50  37.00-180.00   66
 20  ω    -60.00 -38.00   0.50   10.00    --  -33.50  77.00 -60.00   44
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0162674000
_diffrn_orient_matrix_UB_12      -0.0156194000
_diffrn_orient_matrix_UB_13      0.0585480000
_diffrn_orient_matrix_UB_21      -0.0108373000
_diffrn_orient_matrix_UB_22      -0.0590780000
_diffrn_orient_matrix_UB_23      -0.0149048000
_diffrn_orient_matrix_UB_31      0.1131203000
_diffrn_orient_matrix_UB_32      -0.0034240000
_diffrn_orient_matrix_UB_33      -0.0098475000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.831
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                6865
_reflns_number_total             7943
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.620
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         7943
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0708
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          2.483
_refine_ls_shift/su_mean         0.068
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1278P)²+4.8785P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2022
_refine_ls_wR_factor_ref         0.2143
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 1.00(3)
 0.00(3)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(Cl1A) = Uanis(Cl1B)
Uiso(C1AA) = Uiso(C1AB)
4. Others
 Sof(Cl1B)=1-FVAR(1)
 Sof(Cl1A)=FVAR(1)
 Fixed Sof: C0AA(0.25) C1AA(0.25) C1AB(0.25)
5.a Boron cage BH refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), B1(H1A), B2(H2A), B4(H4A), B5(H5), B6(H6),
 B7(H7), B9(H9), B10(H10), B11(H11), B12(H12), B14(H14), B15(H15), B16(H16),
 B18(H18), B19(H19), B20(H20), C5(H5A), C6(H6A), C7(H7A), C8(H8), B21(H21),
 B22(H22), B24(H24), B25(H25), B26(H26), B28(H28), B29(H29), B30(H30), B31(H31),
  B34(H34), B35(H35), B36(H36), B38(H38), B39(H39), B40(H40)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Cl1 Cl 0.88759(16) 0.58518(10) 0.70454(7) 0.0892(7) Uani 1 1 d . . . . .
Cl2 Cl 0.59310(14) 0.42289(9) 0.70405(7) 0.0812(6) Uani 1 1 d . . . . .
C1 C 0.6219(7) 0.6544(3) 0.6321(4) 0.082(2) Uani 1 1 d . . . . .
H1 H 0.5882 0.6942 0.6311 0.099 Uiso 1 1 calc R . . . .
C2 C 0.5694(6) 0.6060(3) 0.6016(3) 0.0692(18) Uani 1 1 d . . . . .
H2 H 0.4997 0.6120 0.5794 0.083 Uiso 1 1 calc R . . . .
C3 C 0.8520(6) 0.3529(3) 0.6274(3) 0.071(2) Uani 1 1 d . . . . .
H3 H 0.8833 0.3126 0.6251 0.086 Uiso 1 1 calc R . . . .
C4 C 0.9061(6) 0.4025(3) 0.5980(3) 0.0647(17) Uani 1 1 d . . . . .
H4 H 0.9750 0.3966 0.5751 0.078 Uiso 1 1 calc R . . . .
B1 B 0.6793(8) 0.6352(4) 0.6884(4) 0.081(3) Uani 1 1 d . . . . .
H1A H 0.6873 0.6598 0.7244 0.097 Uiso 1 1 calc R . . . .
B2 B 0.7491(7) 0.6498(3) 0.6300(4) 0.075(2) Uani 1 1 d . . . . .
H2A H 0.8015 0.6833 0.6284 0.090 Uiso 1 1 calc R . . . .
B3 B 0.7728(7) 0.5906(3) 0.6668(3) 0.066(2) Uani 1 1 d . . . . .
B4 B 0.6583(7) 0.5652(4) 0.6919(3) 0.070(2) Uani 1 1 d . . . . .
H4A H 0.6527 0.5438 0.7298 0.084 Uiso 1 1 calc R . . . .
B5 B 0.5640(8) 0.6090(4) 0.6692(4) 0.082(3) Uani 1 1 d . . . . .
H5 H 0.4959 0.6166 0.6923 0.098 Uiso 1 1 calc R . . . .
B6 B 0.6753(8) 0.6314(3) 0.5744(3) 0.074(2) Uani 1 1 d . . . . .
H6 H 0.6790 0.6533 0.5366 0.089 Uiso 1 1 calc R . . . .
B7 B 0.7704(6) 0.5890(3) 0.5956(3) 0.0599(17) Uani 1 1 d . . . . .
H7 H 0.8378 0.5828 0.5714 0.072 Uiso 1 1 calc R . . . .
B8 B 0.7166(6) 0.5358(3) 0.6342(3) 0.0546(15) Uani 1 1 d . . . . .
B9 B 0.5845(7) 0.5477(3) 0.6355(3) 0.0660(18) Uani 1 1 d . . . . .
H9 H 0.5300 0.5151 0.6367 0.079 Uiso 1 1 calc R . . . .
B10 B 0.6541(6) 0.5625(3) 0.5767(3) 0.0614(17) Uani 1 1 d . . . . .
H10 H 0.6442 0.5391 0.5402 0.074 Uiso 1 1 calc R . . . .
B11 B 0.7268(7) 0.3588(3) 0.6267(4) 0.072(2) Uani 1 1 d . . . . .
H11 H 0.6737 0.3256 0.6246 0.086 Uiso 1 1 calc R . . . .
B12 B 0.7979(7) 0.3713(4) 0.6848(3) 0.072(2) Uani 1 1 d . . . . .
H12 H 0.7900 0.3459 0.7201 0.086 Uiso 1 1 calc R . . . .
B13 B 0.7064(6) 0.4175(3) 0.6653(3) 0.0612(18) Uani 1 1 d . . . . .
B14 B 0.7053(6) 0.4216(3) 0.5941(3) 0.0601(17) Uani 1 1 d . . . . .
H14 H 0.6371 0.4293 0.5712 0.072 Uiso 1 1 calc R . . . .
B15 B 0.7989(7) 0.3783(3) 0.5704(3) 0.068(2) Uani 1 1 d . . . . .
H15 H 0.7936 0.3576 0.5320 0.082 Uiso 1 1 calc R . . . .
B16 B 0.8224(6) 0.4472(3) 0.5752(3) 0.0598(17) Uani 1 1 d . . . . .
H16 H 0.8318 0.4715 0.5391 0.072 Uiso 1 1 calc R . . . .
B17 B 0.7632(6) 0.4731(3) 0.6334(2) 0.0516(15) Uani 1 1 d . . . . .
B18 B 0.8211(6) 0.4417(3) 0.6895(3) 0.066(2) Uani 1 1 d . . . . .
H18 H 0.8280 0.4623 0.7278 0.079 Uiso 1 1 calc R . . . .
B19 B 0.9156(7) 0.3974(4) 0.6656(3) 0.074(2) Uani 1 1 d . . . . .
H19 H 0.9844 0.3888 0.6878 0.089 Uiso 1 1 calc R . . . .
B20 B 0.8943(6) 0.4599(3) 0.6330(3) 0.0611(17) Uani 1 1 d . . . . .
H20 H 0.9499 0.4920 0.6344 0.073 Uiso 1 1 calc R . . . .
Cl3 Cl 0.38527(13) 0.29287(7) 0.42567(7) 0.0691(4) Uani 1 1 d . . . . .
Cl4 Cl 0.08959(12) 0.29838(6) 0.58748(7) 0.0686(4) Uani 1 1 d . . . . .
C5 C 0.1240(7) 0.3659(3) 0.3527(3) 0.0744(19) Uani 1 1 d . . . . .
H5A H 0.0921 0.3666 0.3125 0.089 Uiso 1 1 calc R . . . .
C6 C 0.0709(6) 0.3971(3) 0.4012(3) 0.0697(18) Uani 1 1 d . . . . .
H6A H 0.0017 0.4197 0.3950 0.084 Uiso 1 1 calc R . . . .
C7 C 0.3514(6) 0.3753(3) 0.6543(3) 0.075(2) Uani 1 1 d . . . . .
H7A H 0.3831 0.3787 0.6944 0.090 Uiso 1 1 calc R . . . .
C8 C 0.4064(6) 0.4032(3) 0.6031(3) 0.0722(19) Uani 1 1 d . . . . .
H8 H 0.4761 0.4258 0.6077 0.087 Uiso 1 1 calc R . . . .
B21 B 0.2495(7) 0.3670(3) 0.3588(3) 0.071(2) Uani 1 1 d . . . . .
H21 H 0.3031 0.3676 0.3258 0.085 Uiso 1 1 calc R . . . .
B22 B 0.1786(7) 0.3095(3) 0.3734(3) 0.0648(18) Uani 1 1 d . . . . .
H22 H 0.1863 0.2732 0.3494 0.078 Uiso 1 1 calc R . . . .
B23 B 0.2710(6) 0.3311(3) 0.4182(3) 0.0560(15) Uani 1 1 d . . . . .
B24 B 0.2715(7) 0.4026(3) 0.4195(3) 0.0645(19) Uani 1 1 d . . . . .
H24 H 0.3393 0.4263 0.4262 0.077 Uiso 1 1 calc R . . . .
B25 B 0.1764(8) 0.4235(3) 0.3745(4) 0.075(2) Uani 1 1 d . . . . .
H25 H 0.1807 0.4605 0.3514 0.090 Uiso 1 1 calc R . . . .
B26 B 0.1537(7) 0.4224(3) 0.4444(3) 0.0664(19) Uani 1 1 d . . . . .
H26 H 0.1437 0.4594 0.4670 0.080 Uiso 1 1 calc R . . . .
B27 B 0.2145(6) 0.3654(3) 0.4726(3) 0.0534(15) Uani 1 1 d . . . . .
B28 B 0.1555(6) 0.3077(3) 0.4435(3) 0.0568(15) Uani 1 1 d . . . . .
H28 H 0.1484 0.2703 0.4657 0.068 Uiso 1 1 calc R . . . .
B29 B 0.0621(7) 0.3293(4) 0.3989(3) 0.072(2) Uani 1 1 d . . . . .
H29 H -0.0064 0.3066 0.3914 0.086 Uiso 1 1 calc R . . . .
B30 B 0.0833(6) 0.3644(3) 0.4592(3) 0.0615(17) Uani 1 1 d . . . . .
H30 H 0.0279 0.3641 0.4915 0.074 Uiso 1 1 calc R . . . .
B31 B 0.2271(7) 0.3763(3) 0.6484(3) 0.073(2) Uani 1 1 d . . . . .
H31 H 0.1743 0.3795 0.6817 0.088 Uiso 1 1 calc R . . . .
B32 B 0.2962(7) 0.3167(3) 0.6373(3) 0.0656(19) Uani 1 1 d . . . . .
B33 B 0.2042(5) 0.3365(3) 0.5915(3) 0.0560(15) Uani 1 1 d . . . . .
B34 B 0.2056(6) 0.4077(3) 0.5865(3) 0.0627(18) Uani 1 1 d . . . . .
H34 H 0.1380 0.4313 0.5792 0.075 Uiso 1 1 calc R . . . .
B35 B 0.2996(7) 0.4307(3) 0.6282(4) 0.075(2) Uani 1 1 d . . . . .
H35 H 0.2952 0.4693 0.6486 0.091 Uiso 1 1 calc R . . . .
B36 B 0.3227(6) 0.4258(3) 0.5592(3) 0.0627(18) Uani 1 1 d . . . . .
H36 H 0.3331 0.4615 0.5346 0.075 Uiso 1 1 calc R . . . .
B37 B 0.2597(5) 0.3673(3) 0.5342(3) 0.0518(14) Uani 1 1 d . . . . .
B38 B 0.3188(6) 0.3109(3) 0.5667(3) 0.0564(15) Uani 1 1 d . . . . .
H38 H 0.3249 0.2722 0.5468 0.068 Uiso 1 1 calc R . . . .
B39 B 0.4143(7) 0.3346(4) 0.6094(3) 0.072(2) Uani 1 1 d . . . . .
H39 H 0.4827 0.3120 0.6179 0.086 Uiso 1 1 calc R . . . .
B40 B 0.3916(6) 0.3665(3) 0.5468(3) 0.0625(17) Uani 1 1 d . . . . .
H40 H 0.4459 0.3640 0.5141 0.075 Uiso 1 1 calc R . . . .
Cl0A Cl 0.9324(2) 0.24209(8) 0.70526(10) 0.0984(7) Uani 1 1 d . . . . .
Cl1A Cl 0.4331(4) 0.29730(18) 0.75924(16) 0.0900(9) Uani 0.484(3) 1 d . . . A 1
Cl1B Cl 0.5670(4) 0.20751(17) 0.75876(15) 0.0900(9) Uani 0.516(3) 1 d . . . A 2
C0AA C 1.0000 0.2768(6) 0.7500 0.17(2) Uani 0.5 2 d S T P . .
C1AA C 0.515(4) 0.2474(18) 0.779(2) 0.138(11) Uiso 0.25 1 d . . . A 1
C1AB C 0.364(4) 0.255(2) 0.7488(18) 0.138(11) Uiso 0.25 1 d . . . B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 B3 1.816(8) . ?
Cl2 B13 1.812(7) . ?
C1 C2 1.603(11) . ?
C1 B1 1.685(12) . ?
C1 B2 1.711(13) . ?
C1 B5 1.668(14) . ?
C1 B6 1.719(12) . ?
C2 B5 1.706(12) . ?
C2 B6 1.702(13) . ?
C2 B9 1.710(10) . ?
C2 B10 1.698(10) . ?
C3 C4 1.622(9) . ?
C3 B11 1.687(12) . ?
C3 B12 1.682(9) . ?
C3 B15 1.724(11) . ?
C3 B19 1.705(14) . ?
C4 B15 1.708(12) . ?
C4 B16 1.691(9) . ?
C4 B19 1.713(10) . ?
C4 B20 1.701(10) . ?
B1 B2 1.782(15) . ?
B1 B3 1.771(11) . ?
B1 B4 1.787(14) . ?
B1 B5 1.750(15) . ?
B2 B3 1.782(12) . ?
B2 B6 1.776(13) . ?
B2 B7 1.781(11) . ?
B3 B4 1.779(14) . ?
B3 B7 1.792(10) . ?
B3 B8 1.771(11) . ?
B4 B5 1.773(11) . ?
B4 B8 1.807(9) . ?
B4 B9 1.786(12) . ?
B5 B9 1.783(11) . ?
B6 B7 1.747(10) . ?
B6 B10 1.760(12) . ?
B7 B8 1.805(11) . ?
B7 B10 1.763(12) . ?
B8 B9 1.798(11) . ?
B8 B10 1.801(9) . ?
B8 B17 1.700(9) . ?
B9 B10 1.789(11) . ?
B11 B12 1.774(14) . ?
B11 B13 1.789(11) . ?
B11 B14 1.804(10) . ?
B11 B15 1.784(11) . ?
B12 B13 1.761(10) . ?
B12 B18 1.803(13) . ?
B12 B19 1.778(13) . ?
B13 B14 1.793(9) . ?
B13 B17 1.783(10) . ?
B13 B18 1.764(13) . ?
B14 B15 1.768(10) . ?
B14 B16 1.765(11) . ?
B14 B17 1.806(11) . ?
B15 B16 1.768(11) . ?
B16 B17 1.791(9) . ?
B16 B20 1.777(11) . ?
B17 B18 1.794(9) . ?
B17 B20 1.791(10) . ?
B18 B19 1.792(10) . ?
B18 B20 1.787(10) . ?
B19 B20 1.797(10) . ?
Cl3 B23 1.820(7) . ?
Cl4 B33 1.815(7) . ?
C5 C6 1.617(10) . ?
C5 B21 1.691(13) . ?
C5 B22 1.681(10) . ?
C5 B25 1.701(12) . ?
C5 B29 1.700(11) . ?
C6 B25 1.701(11) . ?
C6 B26 1.679(12) . ?
C6 B29 1.711(11) . ?
C6 B30 1.685(10) . ?
C7 C8 1.642(10) . ?
C7 B31 1.675(13) . ?
C7 B32 1.705(11) . ?
C7 B35 1.691(13) . ?
C7 B39 1.741(12) . ?
C8 B35 1.712(12) . ?
C8 B36 1.675(12) . ?
C8 B39 1.737(11) . ?
C8 B40 1.705(10) . ?
B21 B22 1.770(11) . ?
B21 B23 1.769(11) . ?
B21 B24 1.795(12) . ?
B21 B25 1.773(12) . ?
B22 B23 1.762(12) . ?
B22 B28 1.791(11) . ?
B22 B29 1.762(12) . ?
B23 B24 1.799(9) . ?
B23 B27 1.788(9) . ?
B23 B28 1.777(10) . ?
B24 B25 1.786(14) . ?
B24 B26 1.773(11) . ?
B24 B27 1.803(9) . ?
B25 B26 1.785(12) . ?
B26 B27 1.797(10) . ?
B26 B30 1.778(11) . ?
B27 B28 1.809(10) . ?
B27 B30 1.793(11) . ?
B27 B37 1.665(11) . ?
B28 B29 1.768(12) . ?
B28 B30 1.769(10) . ?
B29 B30 1.780(11) . ?
B31 B32 1.786(12) . ?
B31 B33 1.776(11) . ?
B31 B34 1.771(12) . ?
B31 B35 1.755(12) . ?
B32 B33 1.761(12) . ?
B32 B38 1.807(11) . ?
B32 B39 1.791(12) . ?
B33 B34 1.797(9) . ?
B33 B37 1.799(9) . ?
B33 B38 1.779(10) . ?
B34 B35 1.740(13) . ?
B34 B36 1.775(11) . ?
B34 B37 1.816(9) . ?
B35 B36 1.769(11) . ?
B36 B37 1.813(10) . ?
B36 B40 1.784(11) . ?
B37 B38 1.819(10) . ?
B37 B40 1.798(11) . ?
B38 B39 1.776(12) . ?
B38 B40 1.779(10) . ?
B39 B40 1.796(12) . ?
Cl0A C0AA 1.690(9) . ?
Cl1A Cl1A 1.854(11) 4_656 ?
Cl1A C1AA 1.73(5) 4_656 ?
Cl1A C1AA 1.73(5) . ?
Cl1B Cl1B 1.852(10) 4_656 ?
Cl1B C1AB 1.53(5) 4_656 ?
C0AA Cl0A 1.690(9) 4_756 ?
C1AA Cl1A 1.73(5) 4_656 ?
C1AA C1AA 1.49(11) 4_656 ?
C1AB Cl1B 1.53(5) 4_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 B1 112.7(6) . . ?
C2 C1 B2 111.8(6) . . ?
C2 C1 B5 62.8(6) . . ?
C2 C1 B6 61.5(5) . . ?
B1 C1 B2 63.3(6) . . ?
B1 C1 B6 115.1(6) . . ?
B2 C1 B6 62.4(6) . . ?
B5 C1 B1 62.9(6) . . ?
B5 C1 B2 115.8(6) . . ?
B5 C1 B6 115.9(6) . . ?
C1 C2 B5 60.5(6) . . ?
C1 C2 B6 62.6(5) . . ?
C1 C2 B9 111.2(6) . . ?
C1 C2 B10 111.9(6) . . ?
B5 C2 B9 62.9(5) . . ?
B6 C2 B5 114.8(7) . . ?
B6 C2 B9 115.1(6) . . ?
B6 C2 B10 62.3(5) . . ?
B10 C2 B5 115.2(5) . . ?
B10 C2 B9 63.3(4) . . ?
C4 C3 B11 111.9(5) . . ?
C4 C3 B12 111.9(6) . . ?
C4 C3 B15 61.3(5) . . ?
C4 C3 B19 61.9(5) . . ?
B11 C3 B12 63.6(5) . . ?
B11 C3 B15 63.0(5) . . ?
B11 C3 B19 116.5(6) . . ?
B12 C3 B15 115.7(5) . . ?
B12 C3 B19 63.3(5) . . ?
B19 C3 B15 115.6(6) . . ?
C3 C4 B15 62.3(5) . . ?
C3 C4 B16 111.8(6) . . ?
C3 C4 B19 61.4(5) . . ?
C3 C4 B20 112.1(5) . . ?
B15 C4 B19 116.1(6) . . ?
B16 C4 B15 62.7(5) . . ?
B16 C4 B19 115.9(5) . . ?
B16 C4 B20 63.2(4) . . ?
B20 C4 B15 115.9(5) . . ?
B20 C4 B19 63.5(4) . . ?
C1 B1 B2 59.1(5) . . ?
C1 B1 B3 104.2(6) . . ?
C1 B1 B4 104.6(6) . . ?
C1 B1 B5 58.1(6) . . ?
B2 B1 B4 109.0(5) . . ?
B3 B1 B2 60.2(5) . . ?
B3 B1 B4 60.0(5) . . ?
B5 B1 B2 108.3(7) . . ?
B5 B1 B3 107.6(6) . . ?
B5 B1 B4 60.2(5) . . ?
C1 B2 B1 57.6(5) . . ?
C1 B2 B3 102.7(7) . . ?
C1 B2 B6 59.0(5) . . ?
C1 B2 B7 103.5(6) . . ?
B1 B2 B3 59.6(5) . . ?
B1 B2 B7 108.1(6) . . ?
B3 B2 B7 60.4(4) . . ?
B6 B2 B1 107.7(7) . . ?
B6 B2 B3 106.9(6) . . ?
B6 B2 B7 58.8(5) . . ?
B1 B3 Cl1 119.1(5) . . ?
B1 B3 B2 60.2(5) . . ?
B1 B3 B4 60.4(5) . . ?
B1 B3 B7 108.0(5) . . ?
B2 B3 Cl1 119.0(6) . . ?
B2 B3 B7 59.8(4) . . ?
B4 B3 Cl1 121.3(5) . . ?
B4 B3 B2 109.3(6) . . ?
B4 B3 B7 109.4(6) . . ?
B7 B3 Cl1 122.5(6) . . ?
B8 B3 Cl1 123.1(5) . . ?
B8 B3 B1 109.5(6) . . ?
B8 B3 B2 109.5(5) . . ?
B8 B3 B4 61.2(5) . . ?
B8 B3 B7 60.8(4) . . ?
B1 B4 B8 107.2(6) . . ?
B1 B4 B9 107.0(6) . . ?
B3 B4 B1 59.6(5) . . ?
B3 B4 B5 106.2(7) . . ?
B3 B4 B8 59.2(4) . . ?
B3 B4 B9 106.6(5) . . ?
B5 B4 B1 58.9(5) . . ?
B5 B4 B8 107.7(5) . . ?
B5 B4 B9 60.1(5) . . ?
B9 B4 B8 60.0(4) . . ?
C1 B5 C2 56.7(5) . . ?
C1 B5 B1 59.0(6) . . ?
C1 B5 B4 105.9(7) . . ?
C1 B5 B9 104.7(6) . . ?
C2 B5 B1 104.8(7) . . ?
C2 B5 B4 105.2(5) . . ?
C2 B5 B9 58.7(4) . . ?
B1 B5 B4 61.0(6) . . ?
B1 B5 B9 108.8(6) . . ?
B4 B5 B9 60.3(5) . . ?
C1 B6 B2 58.6(5) . . ?
C1 B6 B7 104.6(5) . . ?
C1 B6 B10 103.7(6) . . ?
C2 B6 C1 55.9(5) . . ?
C2 B6 B2 104.3(6) . . ?
C2 B6 B7 104.9(6) . . ?
C2 B6 B10 58.7(5) . . ?
B7 B6 B2 60.7(5) . . ?
B7 B6 B10 60.4(4) . . ?
B10 B6 B2 108.7(6) . . ?
B2 B7 B3 59.8(5) . . ?
B2 B7 B8 108.1(6) . . ?
B3 B7 B8 59.0(4) . . ?
B6 B7 B2 60.4(5) . . ?
B6 B7 B3 107.7(6) . . ?
B6 B7 B8 109.0(6) . . ?
B6 B7 B10 60.2(5) . . ?
B10 B7 B2 108.3(6) . . ?
B10 B7 B3 107.0(6) . . ?
B10 B7 B8 60.6(4) . . ?
B3 B8 B4 59.6(5) . . ?
B3 B8 B7 60.2(4) . . ?
B3 B8 B9 106.4(5) . . ?
B3 B8 B10 106.3(5) . . ?
B7 B8 B4 107.6(5) . . ?
B7 B8 B9 106.4(5) . . ?
B7 B8 B10 58.5(4) . . ?
B9 B8 B4 59.4(4) . . ?
B9 B8 B10 59.6(4) . . ?
B10 B8 B4 107.0(5) . . ?
B17 B8 B3 124.8(6) . . ?
B17 B8 B4 123.2(5) . . ?
B17 B8 B7 122.4(5) . . ?
B17 B8 B9 121.2(6) . . ?
B17 B8 B10 120.6(5) . . ?
C2 B9 B4 104.5(6) . . ?
C2 B9 B5 58.4(5) . . ?
C2 B9 B8 104.4(6) . . ?
C2 B9 B10 58.0(4) . . ?
B4 B9 B8 60.6(4) . . ?
B5 B9 B4 59.6(5) . . ?
B5 B9 B8 107.7(7) . . ?
B5 B9 B10 107.1(6) . . ?
B10 B9 B4 108.4(6) . . ?
B10 B9 B8 60.3(4) . . ?
C2 B10 B6 58.9(5) . . ?
C2 B10 B7 104.4(5) . . ?
C2 B10 B8 104.8(5) . . ?
C2 B10 B9 58.7(4) . . ?
B6 B10 B8 108.6(6) . . ?
B6 B10 B9 108.5(6) . . ?
B7 B10 B6 59.5(5) . . ?
B7 B10 B8 60.8(4) . . ?
B7 B10 B9 108.6(5) . . ?
B9 B10 B8 60.1(4) . . ?
C3 B11 B12 58.1(5) . . ?
C3 B11 B13 102.7(7) . . ?
C3 B11 B14 104.0(6) . . ?
C3 B11 B15 59.5(5) . . ?
B12 B11 B13 59.2(5) . . ?
B12 B11 B14 107.8(6) . . ?
B12 B11 B15 108.3(7) . . ?
B13 B11 B14 59.9(4) . . ?
B15 B11 B13 106.7(6) . . ?
B15 B11 B14 59.0(4) . . ?
C3 B12 B11 58.4(5) . . ?
C3 B12 B13 104.1(5) . . ?
C3 B12 B18 104.6(5) . . ?
C3 B12 B19 59.0(5) . . ?
B11 B12 B18 108.7(5) . . ?
B11 B12 B19 108.6(5) . . ?
B13 B12 B11 60.8(5) . . ?
B13 B12 B18 59.3(5) . . ?
B13 B12 B19 107.4(6) . . ?
B19 B12 B18 60.1(5) . . ?
B11 B13 Cl2 118.9(6) . . ?
B11 B13 B14 60.5(4) . . ?
B12 B13 Cl2 119.0(4) . . ?
B12 B13 B11 60.0(5) . . ?
B12 B13 B14 108.8(5) . . ?
B12 B13 B17 110.2(6) . . ?
B14 B13 Cl2 121.8(5) . . ?
B17 B13 Cl2 122.8(5) . . ?
B17 B13 B11 109.8(5) . . ?
B17 B13 B14 60.7(4) . . ?
B18 B13 Cl2 121.3(5) . . ?
B18 B13 B11 109.8(6) . . ?
B18 B13 B12 61.5(5) . . ?
B18 B13 B14 109.4(5) . . ?
B18 B13 B17 60.8(4) . . ?
B13 B14 B11 59.7(4) . . ?
B13 B14 B17 59.4(4) . . ?
B15 B14 B11 59.9(4) . . ?
B15 B14 B13 107.2(5) . . ?
B15 B14 B17 108.7(6) . . ?
B16 B14 B11 107.5(6) . . ?
B16 B14 B13 106.5(6) . . ?
B16 B14 B15 60.1(4) . . ?
B16 B14 B17 60.2(4) . . ?
B17 B14 B11 108.1(6) . . ?
C3 B15 B11 57.5(5) . . ?
C3 B15 B14 104.0(5) . . ?
C3 B15 B16 103.5(6) . . ?
C4 B15 C3 56.4(5) . . ?
C4 B15 B11 103.4(6) . . ?
C4 B15 B14 104.0(6) . . ?
C4 B15 B16 58.2(5) . . ?
B14 B15 B11 61.0(4) . . ?
B16 B15 B11 108.2(5) . . ?
B16 B15 B14 59.9(4) . . ?
C4 B16 B14 104.8(5) . . ?
C4 B16 B15 59.2(5) . . ?
C4 B16 B17 105.0(4) . . ?
C4 B16 B20 58.7(4) . . ?
B14 B16 B15 60.1(4) . . ?
B14 B16 B17 61.1(4) . . ?
B14 B16 B20 109.1(5) . . ?
B15 B16 B17 109.5(5) . . ?
B15 B16 B20 109.2(5) . . ?
B20 B16 B17 60.2(4) . . ?
B8 B17 B13 124.5(5) . . ?
B8 B17 B14 120.9(5) . . ?
B8 B17 B16 120.7(5) . . ?
B8 B17 B18 124.1(5) . . ?
B8 B17 B20 122.3(6) . . ?
B13 B17 B14 59.9(4) . . ?
B13 B17 B16 105.8(5) . . ?
B13 B17 B18 59.1(4) . . ?
B13 B17 B20 106.1(5) . . ?
B16 B17 B14 58.8(4) . . ?
B16 B17 B18 107.0(4) . . ?
B18 B17 B14 107.5(5) . . ?
B20 B17 B14 106.7(5) . . ?
B20 B17 B16 59.5(4) . . ?
B20 B17 B18 59.8(4) . . ?
B13 B18 B12 59.2(5) . . ?
B13 B18 B17 60.1(4) . . ?
B13 B18 B19 106.7(6) . . ?
B13 B18 B20 107.1(5) . . ?
B17 B18 B12 107.8(6) . . ?
B17 B18 B19 108.5(5) . . ?
B19 B18 B12 59.3(5) . . ?
B20 B18 B12 107.2(5) . . ?
B20 B18 B17 60.0(4) . . ?
B20 B18 B19 60.3(4) . . ?
C3 B19 C4 56.7(5) . . ?
C3 B19 B12 57.7(5) . . ?
C3 B19 B18 104.1(6) . . ?
C3 B19 B20 103.8(6) . . ?
C4 B19 B12 103.3(7) . . ?
C4 B19 B18 103.5(5) . . ?
C4 B19 B20 57.9(4) . . ?
B12 B19 B18 60.7(5) . . ?
B12 B19 B20 107.8(6) . . ?
B18 B19 B20 59.7(4) . . ?
C4 B20 B16 58.1(4) . . ?
C4 B20 B17 104.5(6) . . ?
C4 B20 B18 104.2(6) . . ?
C4 B20 B19 58.6(4) . . ?
B16 B20 B17 60.2(4) . . ?
B16 B20 B18 107.9(6) . . ?
B16 B20 B19 107.7(6) . . ?
B17 B20 B19 108.4(6) . . ?
B18 B20 B17 60.2(4) . . ?
B18 B20 B19 60.0(4) . . ?
C6 C5 B21 111.2(7) . . ?
C6 C5 B22 111.6(6) . . ?
C6 C5 B25 61.6(5) . . ?
C6 C5 B29 62.1(5) . . ?
B21 C5 B25 63.0(5) . . ?
B21 C5 B29 115.6(6) . . ?
B22 C5 B21 63.3(5) . . ?
B22 C5 B25 116.1(7) . . ?
B22 C5 B29 62.8(5) . . ?
B29 C5 B25 116.3(6) . . ?
C5 C6 B25 61.6(5) . . ?
C5 C6 B26 112.4(6) . . ?
C5 C6 B29 61.3(5) . . ?
C5 C6 B30 111.9(5) . . ?
B25 C6 B29 115.6(6) . . ?
B26 C6 B25 63.8(5) . . ?
B26 C6 B29 116.5(6) . . ?
B26 C6 B30 63.8(5) . . ?
B30 C6 B25 116.8(6) . . ?
B30 C6 B29 63.2(5) . . ?
C8 C7 B31 111.8(7) . . ?
C8 C7 B32 111.7(6) . . ?
C8 C7 B35 61.8(5) . . ?
C8 C7 B39 61.7(5) . . ?
B31 C7 B32 63.8(5) . . ?
B31 C7 B35 62.8(5) . . ?
B31 C7 B39 115.8(6) . . ?
B32 C7 B39 62.6(5) . . ?
B35 C7 B32 115.9(6) . . ?
B35 C7 B39 115.6(6) . . ?
C7 C8 B35 60.5(5) . . ?
C7 C8 B36 111.2(6) . . ?
C7 C8 B39 62.0(5) . . ?
C7 C8 B40 111.6(6) . . ?
B35 C8 B39 114.8(6) . . ?
B36 C8 B35 62.9(5) . . ?
B36 C8 B39 116.0(6) . . ?
B36 C8 B40 63.7(5) . . ?
B40 C8 B35 115.3(6) . . ?
B40 C8 B39 62.9(5) . . ?
C5 B21 B22 58.0(5) . . ?
C5 B21 B23 103.4(6) . . ?
C5 B21 B24 104.4(6) . . ?
C5 B21 B25 58.8(5) . . ?
B22 B21 B24 108.7(5) . . ?
B22 B21 B25 108.2(6) . . ?
B23 B21 B22 59.7(4) . . ?
B23 B21 B24 60.6(4) . . ?
B23 B21 B25 108.2(5) . . ?
B25 B21 B24 60.1(5) . . ?
C5 B22 B21 58.6(5) . . ?
C5 B22 B23 104.2(5) . . ?
C5 B22 B28 104.5(5) . . ?
C5 B22 B29 59.1(5) . . ?
B21 B22 B28 108.5(5) . . ?
B23 B22 B21 60.1(5) . . ?
B23 B22 B28 60.0(4) . . ?
B23 B22 B29 107.7(5) . . ?
B29 B22 B21 108.7(6) . . ?
B29 B22 B28 59.7(4) . . ?
B21 B23 Cl3 119.7(5) . . ?
B21 B23 B24 60.4(4) . . ?
B21 B23 B27 109.4(5) . . ?
B21 B23 B28 109.2(6) . . ?
B22 B23 Cl3 119.8(4) . . ?
B22 B23 B21 60.1(5) . . ?
B22 B23 B24 108.8(6) . . ?
B22 B23 B27 109.9(5) . . ?
B22 B23 B28 60.8(4) . . ?
B24 B23 Cl3 121.6(5) . . ?
B27 B23 Cl3 122.2(5) . . ?
B27 B23 B24 60.3(4) . . ?
B28 B23 Cl3 121.5(4) . . ?
B28 B23 B24 109.1(5) . . ?
B28 B23 B27 61.0(4) . . ?
B21 B24 B23 59.0(4) . . ?
B21 B24 B27 107.6(5) . . ?
B23 B24 B27 59.5(4) . . ?
B25 B24 B21 59.3(5) . . ?
B25 B24 B23 106.3(6) . . ?
B25 B24 B27 108.6(6) . . ?
B26 B24 B21 107.1(7) . . ?
B26 B24 B23 106.5(5) . . ?
B26 B24 B25 60.2(5) . . ?
B26 B24 B27 60.3(4) . . ?
C5 B25 C6 56.8(5) . . ?
C5 B25 B21 58.2(5) . . ?
C5 B25 B24 104.4(6) . . ?
C5 B25 B26 103.6(6) . . ?
C6 B25 B21 103.6(6) . . ?
C6 B25 B24 103.3(5) . . ?
C6 B25 B26 57.5(5) . . ?
B21 B25 B24 60.6(5) . . ?
B21 B25 B26 107.6(6) . . ?
B24 B25 B26 59.5(5) . . ?
C6 B26 B24 104.7(6) . . ?
C6 B26 B25 58.7(5) . . ?
C6 B26 B27 104.7(5) . . ?
C6 B26 B30 58.2(5) . . ?
B24 B26 B25 60.3(5) . . ?
B24 B26 B27 60.6(4) . . ?
B24 B26 B30 108.5(5) . . ?
B25 B26 B27 108.9(5) . . ?
B30 B26 B25 108.0(6) . . ?
B30 B26 B27 60.2(4) . . ?
B23 B27 B24 60.1(4) . . ?
B23 B27 B26 106.0(5) . . ?
B23 B27 B28 59.2(4) . . ?
B23 B27 B30 105.4(5) . . ?
B24 B27 B28 107.6(5) . . ?
B26 B27 B24 59.0(4) . . ?
B26 B27 B28 106.4(5) . . ?
B26 B27 B30 59.4(5) . . ?
B30 B27 B24 106.6(6) . . ?
B30 B27 B28 58.8(4) . . ?
B37 B27 B23 124.9(6) . . ?
B37 B27 B24 121.4(6) . . ?
B37 B27 B26 120.7(5) . . ?
B37 B27 B28 124.0(5) . . ?
B37 B27 B30 122.2(5) . . ?
B22 B28 B27 107.7(5) . . ?
B23 B28 B22 59.2(4) . . ?
B23 B28 B27 59.8(4) . . ?
B29 B28 B22 59.3(5) . . ?
B29 B28 B23 106.8(5) . . ?
B29 B28 B27 108.7(5) . . ?
B29 B28 B30 60.4(4) . . ?
B30 B28 B22 107.2(5) . . ?
B30 B28 B23 106.9(5) . . ?
B30 B28 B27 60.1(4) . . ?
C5 B29 C6 56.6(4) . . ?
C5 B29 B22 58.1(5) . . ?
C5 B29 B28 104.7(6) . . ?
C5 B29 B30 103.7(6) . . ?
C6 B29 B22 103.5(6) . . ?
C6 B29 B28 103.6(6) . . ?
C6 B29 B30 57.7(4) . . ?
B22 B29 B30 108.0(6) . . ?
B28 B29 B22 61.0(5) . . ?
B28 B29 B30 59.8(5) . . ?
C6 B30 B26 57.9(5) . . ?
C6 B30 B27 104.7(5) . . ?
C6 B30 B28 104.7(5) . . ?
C6 B30 B29 59.1(5) . . ?
B26 B30 B27 60.4(4) . . ?
B28 B30 B26 108.9(5) . . ?
B28 B30 B27 61.0(4) . . ?
B28 B30 B29 59.8(5) . . ?
B29 B30 B26 108.2(6) . . ?
B29 B30 B27 108.9(5) . . ?
C7 B31 B32 58.9(5) . . ?
C7 B31 B33 103.6(6) . . ?
C7 B31 B34 104.3(6) . . ?
C7 B31 B35 59.0(5) . . ?
B33 B31 B32 59.3(4) . . ?
B33 B31 B34 60.9(4) . . ?
B34 B31 B32 108.7(5) . . ?
B35 B31 B32 108.8(6) . . ?
B35 B31 B33 107.6(6) . . ?
B35 B31 B34 59.1(5) . . ?
C7 B32 B31 57.3(5) . . ?
C7 B32 B33 103.0(6) . . ?
C7 B32 B38 104.1(5) . . ?
C7 B32 B39 59.7(5) . . ?
B31 B32 B38 108.0(6) . . ?
B31 B32 B39 108.0(6) . . ?
B33 B32 B31 60.1(5) . . ?
B33 B32 B38 59.8(4) . . ?
B33 B32 B39 107.1(6) . . ?
B39 B32 B38 59.2(4) . . ?
B31 B33 Cl4 119.3(5) . . ?
B31 B33 B34 59.4(5) . . ?
B31 B33 B37 109.4(5) . . ?
B31 B33 B38 109.7(6) . . ?
B32 B33 Cl4 118.8(5) . . ?
B32 B33 B31 60.6(5) . . ?
B32 B33 B34 108.7(6) . . ?
B32 B33 B37 110.8(5) . . ?
B32 B33 B38 61.4(4) . . ?
B34 B33 Cl4 122.2(5) . . ?
B34 B33 B37 60.7(4) . . ?
B37 B33 Cl4 122.3(5) . . ?
B38 B33 Cl4 121.5(4) . . ?
B38 B33 B34 109.1(5) . . ?
B38 B33 B37 61.1(4) . . ?
B31 B34 B33 59.7(4) . . ?
B31 B34 B36 108.1(6) . . ?
B31 B34 B37 108.9(5) . . ?
B33 B34 B37 59.7(4) . . ?
B35 B34 B31 60.0(5) . . ?
B35 B34 B33 107.3(6) . . ?
B35 B34 B36 60.4(5) . . ?
B35 B34 B37 109.5(6) . . ?
B36 B34 B33 107.1(5) . . ?
B36 B34 B37 60.6(4) . . ?
C7 B35 C8 57.7(5) . . ?
C7 B35 B31 58.1(5) . . ?
C7 B35 B34 104.9(6) . . ?
C7 B35 B36 104.6(6) . . ?
C8 B35 B31 104.8(6) . . ?
C8 B35 B34 104.5(5) . . ?
C8 B35 B36 57.5(5) . . ?
B31 B35 B36 109.2(6) . . ?
B34 B35 B31 60.9(5) . . ?
B34 B35 B36 60.8(5) . . ?
C8 B36 B34 104.5(5) . . ?
C8 B36 B35 59.5(5) . . ?
C8 B36 B37 105.4(5) . . ?
C8 B36 B40 59.0(5) . . ?
B34 B36 B37 60.8(4) . . ?
B34 B36 B40 108.1(5) . . ?
B35 B36 B34 58.8(5) . . ?
B35 B36 B37 108.4(5) . . ?
B35 B36 B40 108.7(6) . . ?
B40 B36 B37 60.0(4) . . ?
B27 B37 B33 125.7(5) . . ?
B27 B37 B34 123.0(6) . . ?
B27 B37 B36 121.1(5) . . ?
B27 B37 B38 123.8(5) . . ?
B27 B37 B40 121.5(5) . . ?
B33 B37 B34 59.6(4) . . ?
B33 B37 B36 105.4(5) . . ?
B33 B37 B38 58.9(4) . . ?
B34 B37 B38 106.5(5) . . ?
B36 B37 B34 58.6(4) . . ?
B36 B37 B38 105.9(5) . . ?
B40 B37 B33 105.2(5) . . ?
B40 B37 B34 105.8(5) . . ?
B40 B37 B36 59.2(4) . . ?
B40 B37 B38 58.9(4) . . ?
B32 B38 B37 107.9(5) . . ?
B33 B38 B32 58.8(4) . . ?
B33 B38 B37 60.0(4) . . ?
B39 B38 B32 60.0(5) . . ?
B39 B38 B33 106.9(5) . . ?
B39 B38 B37 109.0(5) . . ?
B39 B38 B40 60.7(5) . . ?
B40 B38 B32 107.8(5) . . ?
B40 B38 B33 106.8(5) . . ?
B40 B38 B37 60.0(4) . . ?
C7 B39 B32 57.7(5) . . ?
C7 B39 B38 103.9(6) . . ?
C7 B39 B40 103.0(6) . . ?
C8 B39 C7 56.3(5) . . ?
C8 B39 B32 103.4(6) . . ?
C8 B39 B38 103.5(6) . . ?
C8 B39 B40 57.7(5) . . ?
B32 B39 B40 107.8(6) . . ?
B38 B39 B32 60.9(5) . . ?
B38 B39 B40 59.7(4) . . ?
C8 B40 B36 57.4(5) . . ?
C8 B40 B37 104.8(5) . . ?
C8 B40 B38 104.8(5) . . ?
C8 B40 B39 59.4(5) . . ?
B36 B40 B37 60.8(4) . . ?
B36 B40 B39 107.9(6) . . ?
B38 B40 B36 108.9(5) . . ?
B38 B40 B37 61.1(4) . . ?
B38 B40 B39 59.6(5) . . ?
B39 B40 B37 109.1(5) . . ?
C1AA Cl1A Cl1A 57.4(17) . 4_656 ?
C1AA Cl1A Cl1A 57.8(17) 4_656 4_656 ?
C1AA Cl1A C1AA 51(4) 4_656 . ?
Cl1B Cl1B C1AB 124(2) 4_656 4_656 ?
Cl0A C0AA Cl0A 117.7(10) . 4_756 ?
Cl1A C1AA Cl1A 64.8(18) 4_656 . ?
C1AA C1AA Cl1A 64(2) 4_656 . ?
C1AA C1AA Cl1A 65(3) 4_656 4_656 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.251
_oxdiff_exptl_absorpt_empirical_full_min 0.772
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 1.00(3)
2 0.00(3)

####################################################################### 
# 
# 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_202305123_auto
_database_code_depnum_ccdc_archive 'CCDC 2268199'
loop_
_audit_author_name
_audit_author_address
mayanna
;Zhengzhou University
China
;
_audit_update_record             
;
2023-06-07 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_audit_creation_date             2023-05-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H22 B20 O2'
_chemical_formula_sum            'C4 H22 B20 O2'
_chemical_formula_weight         318.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         C20H20N2O1B7
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   12.3573(3)
_cell_length_b                   12.9050(3)
_cell_length_c                   13.1240(3)
_cell_angle_alpha                90
_cell_angle_beta                 112.213(3)
_cell_angle_gamma                90
_cell_volume                     1937.57(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2865
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.2350
_cell_measurement_theta_min      3.6140
_shelx_estimated_absorpt_T_max   0.964
_shelx_estimated_absorpt_T_min   0.936
_exptl_absorpt_coefficient_mu    0.374
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.092
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7051
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.070
_diffrn_reflns_theta_max         67.070
_diffrn_reflns_theta_min         3.864
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -104.00 -11.00   1.00    1.00    --  -33.50 -37.00-180.00   93
  2  ω   -108.00 -35.00   1.00    1.00    --  -33.50 178.00-120.00   73
  3  ω    -38.00  21.00   1.00    1.00    --  -33.50  57.00 -60.00   59
  4  ω      3.00  41.00   1.00    1.00    --   36.47 -99.00-180.00   38
  5  ω     40.00  74.00   1.00    1.00    --   36.47 -99.00 -60.00   34
  6  ω     44.00  74.00   1.00    1.00    --   36.47 -99.00-180.00   30
  7  ω     91.00 178.00   1.00    5.00    --  108.00  45.00 -60.00   87
  8  ω     38.00 103.00   1.00    5.00    --  108.00 -94.00  60.00   65
  9  ω    103.00 177.00   1.00    5.00    --  108.00  77.00 150.00   74
 10  ω    117.00 164.00   1.00    5.00    --  108.00  77.00-120.00   47
 11  ω     81.00 109.00   1.00    5.00    --  108.00-111.00-180.00   28
 12  ω     64.00 108.00   1.00    5.00    --  108.00-111.00   0.00   44
 13  ω     56.00 119.00   1.00    5.00    --  108.00 -61.00 150.00   63
 14  ω    125.00 158.00   1.00    5.00    --  108.00 111.00 120.00   33
 15  ω    149.00 175.00   1.00    5.00    --  108.00  61.00 -90.00   26
 16  ω     39.00  72.00   1.00    5.00    --  108.00 -94.00-180.00   33
 17  ω     88.00 113.00   1.00    5.00    --  108.00  61.00 -90.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1245220000
_diffrn_orient_matrix_UB_12      -0.0159638000
_diffrn_orient_matrix_UB_13      0.0026436000
_diffrn_orient_matrix_UB_21      -0.0158677000
_diffrn_orient_matrix_UB_22      -0.1182659000
_diffrn_orient_matrix_UB_23      0.0021705000
_diffrn_orient_matrix_UB_31      -0.0485219000
_diffrn_orient_matrix_UB_32      -0.0022916000
_diffrn_orient_matrix_UB_33      -0.1268227000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2743
_reflns_number_total             3457
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.400
_refine_diff_density_min         -0.331
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         3457
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0675
_refine_ls_restrained_S_all      1.035
_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)+(0.1342P)²+0.1490P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1854
_refine_ls_wR_factor_ref         0.2037
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2. Restrained distances
 O1-H1
 0.9 with sigma of 0.02
3.a Riding coordinates:
 O2(H2)
3.b Boron cage BH refined with riding coordinates:
 C1(H1A), C2(H2A), C3(H3), C4(H4), B1(H1B), B2(H2B), B3(H3A), B5(H5), B6(H6),
 B8(H8), B9(H9), B10(H10), B11(H11), B12(H12), B13(H13), B15(H15), B16(H16),
 B18(H18), B19(H19), B20(H20)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
O1 O 0.34589(13) 0.46158(14) 0.47540(13) 0.0612(5) Uani 1 1 d D . . . .
H1 H 0.386(5) 0.519(3) 0.468(5) 0.21(3) Uiso 1 1 d D . . . .
O2 O 0.44611(11) 0.63712(11) 0.45054(10) 0.0430(4) Uani 1 1 d . . . . .
H2 H 0.5251 0.6349 0.4969 0.22(3) Uiso 1 1 d R . . . .
C1 C 0.0285(2) 0.3412(2) 0.3049(2) 0.0715(7) Uani 1 1 d . . . . .
H1A H -0.0286 0.2822 0.3188 0.086 Uiso 1 1 calc R . . . .
C2 C -0.01168(19) 0.4051(2) 0.1896(2) 0.0648(7) Uani 1 1 d . . . . .
H2A H -0.0971 0.3908 0.1234 0.078 Uiso 1 1 calc R . . . .
C3 C 0.44446(19) 0.77541(19) 0.17577(17) 0.0571(6) Uani 1 1 d . . . . .
H3 H 0.4988 0.8329 0.1552 0.069 Uiso 1 1 calc R . . . .
C4 C 0.3301(2) 0.7256(2) 0.08110(16) 0.0583(6) Uani 1 1 d . . . . .
H4 H 0.3045 0.7485 -0.0056 0.070 Uiso 1 1 calc R . . . .
B1 B 0.1091(2) 0.4156(3) 0.4130(2) 0.0667(8) Uani 1 1 d . . . . .
H1B H 0.1093 0.4095 0.4967 0.080 Uiso 1 1 calc R . . . .
B2 B -0.0119(2) 0.4681(3) 0.3039(2) 0.0663(8) Uani 1 1 d . . . . .
H2B H -0.0907 0.4953 0.3159 0.080 Uiso 1 1 calc R . . . .
B3 B 0.12172(18) 0.5365(2) 0.35317(18) 0.0488(5) Uani 1 1 d . . . . .
H3A H 0.1314 0.6097 0.3987 0.059 Uiso 1 1 calc R . . . .
B4 B 0.23914(19) 0.44407(19) 0.38715(19) 0.0490(5) Uani 1 1 d . . . . .
B5 B 0.1734(2) 0.3190(2) 0.3578(3) 0.0712(8) Uani 1 1 d . . . . .
H5 H 0.2154 0.2504 0.4064 0.085 Uiso 1 1 calc R . . . .
B6 B 0.03997(19) 0.5287(2) 0.20964(19) 0.0513(6) Uani 1 1 d . . . . .
H6 H -0.0049 0.5963 0.1609 0.062 Uiso 1 1 calc R . . . .
B7 B 0.19493(17) 0.51531(17) 0.25949(16) 0.0392(4) Uani 1 1 d . . . . .
B8 B 0.2251(2) 0.3790(2) 0.2622(2) 0.0573(6) Uani 1 1 d . . . . .
H8 H 0.3021 0.3496 0.2485 0.069 Uiso 1 1 calc R . . . .
B9 B 0.0917(3) 0.3108(2) 0.2129(3) 0.0729(8) Uani 1 1 d . . . . .
H9 H 0.0797 0.2376 0.1669 0.087 Uiso 1 1 calc R . . . .
B10 B 0.1031(2) 0.4318(2) 0.1536(2) 0.0571(6) Uani 1 1 d . . . . .
H10 H 0.0989 0.4369 0.0685 0.069 Uiso 1 1 calc R . . . .
B11 B 0.4253(2) 0.79098(19) 0.29527(18) 0.0485(5) Uani 1 1 d . . . . .
H11 H 0.4636 0.8537 0.3548 0.058 Uiso 1 1 calc R . . . .
B12 B 0.3088(2) 0.8156(2) 0.1673(2) 0.0558(6) Uani 1 1 d . . . . .
H12 H 0.2718 0.8935 0.1430 0.067 Uiso 1 1 calc R . . . .
B13 B 0.28287(18) 0.74009(17) 0.26769(16) 0.0421(5) Uani 1 1 d . . . . .
H13 H 0.2278 0.7695 0.3104 0.051 Uiso 1 1 calc R . . . .
B14 B 0.40916(17) 0.66130(16) 0.33748(16) 0.0379(4) Uani 1 1 d . . . . .
B15 B 0.51355(19) 0.6889(2) 0.27603(19) 0.0500(5) Uani 1 1 d . . . . .
H15 H 0.6084 0.6859 0.3231 0.060 Uiso 1 1 calc R . . . .
B16 B 0.2225(2) 0.7014(2) 0.12856(17) 0.0500(5) Uani 1 1 d . . . . .
H16 H 0.1282 0.7058 0.0791 0.060 Uiso 1 1 calc R . . . .
B17 B 0.28150(17) 0.60456(16) 0.23291(15) 0.0374(4) Uani 1 1 d . . . . .
B18 B 0.42514(18) 0.57500(18) 0.23668(17) 0.0450(5) Uani 1 1 d . . . . .
H18 H 0.4626 0.4970 0.2590 0.054 Uiso 1 1 calc R . . . .
B19 B 0.4522(2) 0.6501(2) 0.1360(2) 0.0609(7) Uani 1 1 d . . . . .
H19 H 0.5065 0.6228 0.0916 0.073 Uiso 1 1 calc R . . . .
B20 B 0.3104(2) 0.6002(2) 0.10925(18) 0.0523(6) Uani 1 1 d . . . . .
H20 H 0.2729 0.5394 0.0470 0.063 Uiso 1 1 calc R . . . .


_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
O1 H1 0.92(2) . ?
O1 B4 1.406(3) . ?
O2 H2 0.9349 . ?
O2 B14 1.413(2) . ?
C1 H1A 1.1000 . ?
C1 C2 1.628(3) . ?
C1 B1 1.691(4) . ?
C1 B2 1.711(4) . ?
C1 B5 1.683(4) . ?
C1 B9 1.714(5) . ?
C2 H2A 1.1000 . ?
C2 B2 1.708(4) . ?
C2 B6 1.701(3) . ?
C2 B9 1.707(4) . ?
C2 B10 1.691(4) . ?
C3 H3 1.1000 . ?
C3 C4 1.621(3) . ?
C3 B11 1.684(3) . ?
C3 B12 1.718(4) . ?
C3 B15 1.691(3) . ?
C3 B19 1.713(4) . ?
C4 H4 1.1000 . ?
C4 B12 1.709(4) . ?
C4 B16 1.697(3) . ?
C4 B19 1.710(4) . ?
C4 B20 1.698(4) . ?
B1 H1B 1.1000 . ?
B1 B2 1.768(4) . ?
B1 B3 1.780(4) . ?
B1 B4 1.802(3) . ?
B1 B5 1.775(5) . ?
B2 H2B 1.1000 . ?
B2 B3 1.765(3) . ?
B2 B6 1.776(4) . ?
B3 H3A 1.1000 . ?
B3 B4 1.799(3) . ?
B3 B6 1.772(3) . ?
B3 B7 1.802(3) . ?
B4 B5 1.782(4) . ?
B4 B7 1.805(3) . ?
B4 B8 1.792(4) . ?
B5 H5 1.1000 . ?
B5 B8 1.785(4) . ?
B5 B9 1.788(5) . ?
B6 H6 1.1000 . ?
B6 B7 1.783(3) . ?
B6 B10 1.774(4) . ?
B7 B8 1.796(3) . ?
B7 B10 1.785(3) . ?
B7 B17 1.696(3) . ?
B8 H8 1.1000 . ?
B8 B9 1.762(4) . ?
B8 B10 1.773(4) . ?
B9 H9 1.1000 . ?
B9 B10 1.773(4) . ?
B10 H10 1.1000 . ?
B11 H11 1.1000 . ?
B11 B12 1.780(3) . ?
B11 B13 1.783(3) . ?
B11 B14 1.797(3) . ?
B11 B15 1.788(4) . ?
B12 H12 1.1000 . ?
B12 B13 1.763(3) . ?
B12 B16 1.777(4) . ?
B13 H13 1.1000 . ?
B13 B14 1.797(3) . ?
B13 B16 1.763(3) . ?
B13 B17 1.806(3) . ?
B14 B15 1.797(3) . ?
B14 B17 1.809(3) . ?
B14 B18 1.796(3) . ?
B15 H15 1.1000 . ?
B15 B18 1.787(3) . ?
B15 B19 1.774(3) . ?
B16 H16 1.1000 . ?
B16 B17 1.793(3) . ?
B16 B20 1.778(4) . ?
B17 B18 1.798(3) . ?
B17 B20 1.790(3) . ?
B18 H18 1.1000 . ?
B18 B19 1.769(3) . ?
B18 B20 1.766(3) . ?
B19 H19 1.1000 . ?
B19 B20 1.772(4) . ?
B20 H20 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
B4 O1 H1 114(4) . . ?
B14 O2 H2 122.3 . . ?
C2 C1 H1A 121.1 . . ?
C2 C1 B1 111.6(2) . . ?
C2 C1 B2 61.48(17) . . ?
C2 C1 B5 111.9(2) . . ?
C2 C1 B9 61.35(17) . . ?
B1 C1 H1A 117.8 . . ?
B1 C1 B2 62.63(18) . . ?
B1 C1 B9 116.15(19) . . ?
B2 C1 H1A 117.4 . . ?
B2 C1 B9 115.0(2) . . ?
B5 C1 H1A 117.6 . . ?
B5 C1 B1 63.47(18) . . ?
B5 C1 B2 115.36(19) . . ?
B5 C1 B9 63.5(2) . . ?
B9 C1 H1A 116.8 . . ?
C1 C2 H2A 120.9 . . ?
C1 C2 B2 61.67(18) . . ?
C1 C2 B6 111.50(18) . . ?
C1 C2 B9 61.82(18) . . ?
C1 C2 B10 111.68(18) . . ?
B2 C2 H2A 117.0 . . ?
B6 C2 H2A 118.2 . . ?
B6 C2 B2 62.80(16) . . ?
B6 C2 B9 115.42(17) . . ?
B9 C2 H2A 116.8 . . ?
B9 C2 B2 115.6(2) . . ?
B10 C2 H2A 118.1 . . ?
B10 C2 B2 115.38(17) . . ?
B10 C2 B6 63.07(15) . . ?
B10 C2 B9 62.91(17) . . ?
C4 C3 H3 121.0 . . ?
C4 C3 B11 111.85(16) . . ?
C4 C3 B12 61.51(15) . . ?
C4 C3 B15 111.87(18) . . ?
C4 C3 B19 61.66(15) . . ?
B11 C3 H3 117.5 . . ?
B11 C3 B12 63.06(14) . . ?
B11 C3 B15 63.99(13) . . ?
B11 C3 B19 116.09(17) . . ?
B12 C3 H3 116.8 . . ?
B15 C3 H3 117.5 . . ?
B15 C3 B12 116.31(16) . . ?
B15 C3 B19 62.84(15) . . ?
B19 C3 H3 116.9 . . ?
B19 C3 B12 115.51(18) . . ?
C3 C4 H4 120.8 . . ?
C3 C4 B12 62.06(15) . . ?
C3 C4 B16 111.66(16) . . ?
C3 C4 B19 61.83(16) . . ?
C3 C4 B20 111.46(17) . . ?
B12 C4 H4 116.5 . . ?
B12 C4 B19 116.13(17) . . ?
B16 C4 H4 118.1 . . ?
B16 C4 B12 62.89(15) . . ?
B16 C4 B19 115.42(17) . . ?
B16 C4 B20 63.16(14) . . ?
B19 C4 H4 116.8 . . ?
B20 C4 H4 118.2 . . ?
B20 C4 B12 115.68(16) . . ?
B20 C4 B19 62.65(15) . . ?
C1 B1 H1B 125.1 . . ?
C1 B1 B2 59.24(17) . . ?
C1 B1 B3 104.44(18) . . ?
C1 B1 B4 104.0(2) . . ?
C1 B1 B5 58.03(17) . . ?
B2 B1 H1B 121.2 . . ?
B2 B1 B3 59.68(15) . . ?
B2 B1 B4 108.11(17) . . ?
B2 B1 B5 108.1(2) . . ?
B3 B1 H1B 122.4 . . ?
B3 B1 B4 60.32(13) . . ?
B4 B1 H1B 122.5 . . ?
B5 B1 H1B 121.7 . . ?
B5 B1 B3 107.92(19) . . ?
B5 B1 B4 59.77(16) . . ?
C1 B2 B1 58.13(17) . . ?
C1 B2 H2B 125.1 . . ?
C1 B2 B3 104.21(18) . . ?
C1 B2 B6 104.2(2) . . ?
C2 B2 C1 56.86(17) . . ?
C2 B2 B1 104.3(2) . . ?
C2 B2 H2B 124.9 . . ?
C2 B2 B3 104.32(17) . . ?
C2 B2 B6 58.41(15) . . ?
B1 B2 H2B 122.0 . . ?
B1 B2 B6 108.38(17) . . ?
B3 B2 B1 60.48(15) . . ?
B3 B2 H2B 123.0 . . ?
B3 B2 B6 60.05(13) . . ?
B6 B2 H2B 122.1 . . ?
B1 B3 H3A 121.5 . . ?
B1 B3 B4 60.45(14) . . ?
B1 B3 B7 108.59(19) . . ?
B2 B3 B1 59.84(15) . . ?
B2 B3 H3A 121.5 . . ?
B2 B3 B4 108.34(19) . . ?
B2 B3 B6 60.27(14) . . ?
B2 B3 B7 108.43(17) . . ?
B4 B3 H3A 121.5 . . ?
B4 B3 B7 60.17(12) . . ?
B6 B3 B1 108.05(18) . . ?
B6 B3 H3A 121.8 . . ?
B6 B3 B4 107.94(17) . . ?
B6 B3 B7 59.83(12) . . ?
B7 B3 H3A 121.4 . . ?
O1 B4 B1 120.22(19) . . ?
O1 B4 B3 121.0(2) . . ?
O1 B4 B5 122.18(19) . . ?
O1 B4 B7 122.89(17) . . ?
O1 B4 B8 124.4(2) . . ?
B1 B4 B7 107.47(15) . . ?
B3 B4 B1 59.23(15) . . ?
B3 B4 B7 59.98(12) . . ?
B5 B4 B1 59.36(18) . . ?
B5 B4 B3 106.73(17) . . ?
B5 B4 B7 107.89(17) . . ?
B5 B4 B8 59.94(17) . . ?
B8 B4 B1 107.02(18) . . ?
B8 B4 B3 107.10(15) . . ?
B8 B4 B7 59.91(13) . . ?
C1 B5 B1 58.49(17) . . ?
C1 B5 B4 105.2(2) . . ?
C1 B5 H5 124.9 . . ?
C1 B5 B8 104.1(2) . . ?
C1 B5 B9 59.11(18) . . ?
B1 B5 B4 60.87(16) . . ?
B1 B5 H5 120.9 . . ?
B1 B5 B8 108.50(19) . . ?
B1 B5 B9 108.5(2) . . ?
B4 B5 H5 121.8 . . ?
B4 B5 B8 60.30(14) . . ?
B4 B5 B9 108.16(19) . . ?
B8 B5 H5 122.8 . . ?
B8 B5 B9 59.08(17) . . ?
B9 B5 H5 121.5 . . ?
C2 B6 B2 58.79(16) . . ?
C2 B6 B3 104.32(17) . . ?
C2 B6 H6 125.2 . . ?
C2 B6 B7 104.71(17) . . ?
C2 B6 B10 58.19(15) . . ?
B2 B6 H6 121.3 . . ?
B2 B6 B7 108.81(16) . . ?
B3 B6 B2 59.68(13) . . ?
B3 B6 H6 122.2 . . ?
B3 B6 B7 60.91(12) . . ?
B3 B6 B10 108.48(17) . . ?
B7 B6 H6 121.7 . . ?
B10 B6 B2 108.04(19) . . ?
B10 B6 H6 121.5 . . ?
B10 B6 B7 60.26(13) . . ?
B3 B7 B4 59.85(12) . . ?
B6 B7 B3 59.26(12) . . ?
B6 B7 B4 107.23(15) . . ?
B6 B7 B8 106.77(16) . . ?
B6 B7 B10 59.64(14) . . ?
B8 B7 B3 106.82(16) . . ?
B8 B7 B4 59.67(14) . . ?
B10 B7 B3 106.70(15) . . ?
B10 B7 B4 107.16(16) . . ?
B10 B7 B8 59.34(14) . . ?
B17 B7 B3 123.78(17) . . ?
B17 B7 B4 122.94(14) . . ?
B17 B7 B6 122.16(16) . . ?
B17 B7 B8 121.80(16) . . ?
B17 B7 B10 120.99(16) . . ?
B4 B8 B7 60.42(13) . . ?
B4 B8 H8 121.4 . . ?
B5 B8 B4 59.76(16) . . ?
B5 B8 B7 108.16(19) . . ?
B5 B8 H8 121.8 . . ?
B7 B8 H8 121.4 . . ?
B9 B8 B4 108.9(2) . . ?
B9 B8 B5 60.53(17) . . ?
B9 B8 B7 108.87(19) . . ?
B9 B8 H8 120.9 . . ?
B9 B8 B10 60.22(16) . . ?
B10 B8 B4 108.30(18) . . ?
B10 B8 B5 108.05(19) . . ?
B10 B8 B7 60.03(13) . . ?
B10 B8 H8 121.7 . . ?
C1 B9 B5 57.39(17) . . ?
C1 B9 B8 103.8(2) . . ?
C1 B9 H9 125.4 . . ?
C1 B9 B10 103.9(2) . . ?
C2 B9 C1 56.83(17) . . ?
C2 B9 B5 103.4(2) . . ?
C2 B9 B8 104.06(19) . . ?
C2 B9 H9 125.3 . . ?
C2 B9 B10 58.12(16) . . ?
B5 B9 H9 122.6 . . ?
B8 B9 B5 60.39(16) . . ?
B8 B9 H9 123.0 . . ?
B8 B9 B10 60.20(15) . . ?
B10 B9 B5 107.92(19) . . ?
B10 B9 H9 122.2 . . ?
C2 B10 B6 58.74(15) . . ?
C2 B10 B7 105.02(18) . . ?
C2 B10 B8 104.23(19) . . ?
C2 B10 B9 58.97(17) . . ?
C2 B10 H10 124.9 . . ?
B6 B10 B7 60.11(12) . . ?
B6 B10 H10 121.3 . . ?
B7 B10 H10 121.8 . . ?
B8 B10 B6 108.16(17) . . ?
B8 B10 B7 60.63(13) . . ?
B8 B10 B9 59.58(15) . . ?
B8 B10 H10 122.6 . . ?
B9 B10 B6 108.6(2) . . ?
B9 B10 B7 108.84(18) . . ?
B9 B10 H10 121.1 . . ?
C3 B11 H11 125.1 . . ?
C3 B11 B12 59.40(14) . . ?
C3 B11 B13 104.04(15) . . ?
C3 B11 B14 104.30(17) . . ?
C3 B11 B15 58.18(14) . . ?
B12 B11 H11 121.1 . . ?
B12 B11 B13 59.32(13) . . ?
B12 B11 B14 108.23(16) . . ?
B12 B11 B15 108.52(17) . . ?
B13 B11 H11 122.8 . . ?
B13 B11 B14 60.23(11) . . ?
B13 B11 B15 107.93(16) . . ?
B14 B11 H11 122.3 . . ?
B15 B11 H11 121.4 . . ?
B15 B11 B14 60.14(12) . . ?
C3 B12 B11 57.54(13) . . ?
C3 B12 H12 125.7 . . ?
C3 B12 B13 103.48(16) . . ?
C3 B12 B16 103.50(18) . . ?
C4 B12 C3 56.44(14) . . ?
C4 B12 B11 103.36(18) . . ?
C4 B12 H12 125.4 . . ?
C4 B12 B13 103.64(17) . . ?
C4 B12 B16 58.21(14) . . ?
B11 B12 H12 122.4 . . ?
B13 B12 B11 60.43(12) . . ?
B13 B12 H12 123.3 . . ?
B13 B12 B16 59.75(12) . . ?
B16 B12 B11 107.80(16) . . ?
B16 B12 H12 122.4 . . ?
B11 B13 H13 121.5 . . ?
B11 B13 B14 60.29(12) . . ?
B11 B13 B17 108.79(15) . . ?
B12 B13 B11 60.25(13) . . ?
B12 B13 H13 120.8 . . ?
B12 B13 B14 109.02(16) . . ?
B12 B13 B16 60.52(13) . . ?
B12 B13 B17 109.49(16) . . ?
B14 B13 H13 121.4 . . ?
B14 B13 B17 60.27(11) . . ?
B16 B13 B11 108.26(15) . . ?
B16 B13 H13 121.6 . . ?
B16 B13 B14 108.29(15) . . ?
B16 B13 B17 60.30(12) . . ?
B17 B13 H13 121.0 . . ?
O2 B14 B11 120.00(15) . . ?
O2 B14 B13 122.28(16) . . ?
O2 B14 B15 120.89(15) . . ?
O2 B14 B17 123.40(15) . . ?
O2 B14 B18 123.69(16) . . ?
B11 B14 B17 108.04(14) . . ?
B13 B14 B11 59.48(12) . . ?
B13 B14 B15 106.97(14) . . ?
B13 B14 B17 60.13(11) . . ?
B15 B14 B11 59.67(13) . . ?
B15 B14 B17 107.93(14) . . ?
B18 B14 B11 107.12(15) . . ?
B18 B14 B13 106.95(14) . . ?
B18 B14 B15 59.65(12) . . ?
B18 B14 B17 59.83(11) . . ?
C3 B15 B11 57.84(13) . . ?
C3 B15 B14 104.08(15) . . ?
C3 B15 H15 125.3 . . ?
C3 B15 B18 104.16(16) . . ?
C3 B15 B19 59.20(15) . . ?
B11 B15 B14 60.19(12) . . ?
B11 B15 H15 121.6 . . ?
B14 B15 H15 122.3 . . ?
B18 B15 B11 107.94(15) . . ?
B18 B15 B14 60.17(11) . . ?
B18 B15 H15 122.6 . . ?
B19 B15 B11 108.03(17) . . ?
B19 B15 B14 108.09(15) . . ?
B19 B15 H15 121.3 . . ?
B19 B15 B18 59.56(13) . . ?
C4 B16 B12 58.90(15) . . ?
C4 B16 B13 104.14(16) . . ?
C4 B16 H16 125.1 . . ?
C4 B16 B17 105.05(16) . . ?
C4 B16 B20 58.46(14) . . ?
B12 B16 H16 120.9 . . ?
B12 B16 B17 109.44(14) . . ?
B12 B16 B20 108.48(17) . . ?
B13 B16 B12 59.72(13) . . ?
B13 B16 H16 122.4 . . ?
B13 B16 B17 61.03(11) . . ?
B13 B16 B20 108.25(15) . . ?
B17 B16 H16 121.4 . . ?
B20 B16 H16 121.4 . . ?
B20 B16 B17 60.16(12) . . ?
B7 B17 B13 123.52(15) . . ?
B7 B17 B14 123.79(14) . . ?
B7 B17 B16 121.63(15) . . ?
B7 B17 B18 122.91(16) . . ?
B7 B17 B20 121.53(16) . . ?
B13 B17 B14 59.61(11) . . ?
B16 B17 B13 58.68(12) . . ?
B16 B17 B14 106.48(14) . . ?
B16 B17 B18 106.35(14) . . ?
B18 B17 B13 106.49(14) . . ?
B18 B17 B14 59.75(11) . . ?
B20 B17 B13 105.88(15) . . ?
B20 B17 B14 106.55(14) . . ?
B20 B17 B16 59.50(13) . . ?
B20 B17 B18 58.99(12) . . ?
B14 B18 B17 60.43(11) . . ?
B14 B18 H18 121.5 . . ?
B15 B18 B14 60.18(12) . . ?
B15 B18 B17 108.83(16) . . ?
B15 B18 H18 121.7 . . ?
B17 B18 H18 120.9 . . ?
B19 B18 B14 108.35(17) . . ?
B19 B18 B15 59.87(13) . . ?
B19 B18 B17 109.05(16) . . ?
B19 B18 H18 121.4 . . ?
B20 B18 B14 108.11(15) . . ?
B20 B18 B15 107.84(17) . . ?
B20 B18 B17 60.28(12) . . ?
B20 B18 H18 121.8 . . ?
B20 B18 B19 60.17(14) . . ?
C3 B19 B15 57.96(14) . . ?
C3 B19 B18 103.99(16) . . ?
C3 B19 H19 125.4 . . ?
C3 B19 B20 103.81(19) . . ?
C4 B19 C3 56.51(15) . . ?
C4 B19 B15 103.83(18) . . ?
C4 B19 B18 103.97(16) . . ?
C4 B19 H19 125.2 . . ?
C4 B19 B20 58.34(14) . . ?
B15 B19 H19 122.1 . . ?
B18 B19 B15 60.57(13) . . ?
B18 B19 H19 123.1 . . ?
B18 B19 B20 59.84(13) . . ?
B20 B19 B15 108.14(16) . . ?
B20 B19 H19 122.3 . . ?
C4 B20 B16 58.39(14) . . ?
C4 B20 B17 105.14(16) . . ?
C4 B20 B18 104.60(17) . . ?
C4 B20 B19 59.01(15) . . ?
C4 B20 H20 124.9 . . ?
B16 B20 B17 60.34(12) . . ?
B16 B20 H20 121.4 . . ?
B17 B20 H20 121.5 . . ?
B18 B20 B16 108.38(15) . . ?
B18 B20 B17 60.73(11) . . ?
B18 B20 B19 59.99(13) . . ?
B18 B20 H20 122.3 . . ?
B19 B20 B16 108.46(19) . . ?
B19 B20 B17 109.27(15) . . ?
B19 B20 H20 120.9 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O2 0.92(2) 1.75(2) 2.660(2) 173(6) .
O2 H2 O1 0.93 1.95 2.699(2) 136.1 3_666

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
O1 B4 B5 C1 148.1(2) . . . . ?
O1 B4 B5 B1 108.6(2) . . . . ?
O1 B4 B5 B8 -114.0(2) . . . . ?
O1 B4 B5 B9 -150.0(2) . . . . ?
O1 B4 B7 B3 -109.6(3) . . . . ?
O1 B4 B7 B6 -146.5(2) . . . . ?
O1 B4 B7 B8 113.8(3) . . . . ?
O1 B4 B7 B10 150.7(2) . . . . ?
O1 B4 B7 B17 3.4(3) . . . . ?
O1 B4 B8 B5 110.5(2) . . . . ?
O1 B4 B8 B7 -111.3(2) . . . . ?
O1 B4 B8 B9 147.2(2) . . . . ?
O1 B4 B8 B10 -148.9(2) . . . . ?
O2 B14 B15 C3 -148.05(18) . . . . ?
O2 B14 B15 B11 -108.96(19) . . . . ?
O2 B14 B15 B18 113.5(2) . . . . ?
O2 B14 B15 B19 150.20(19) . . . . ?
O2 B14 B17 B7 -1.2(3) . . . . ?
O2 B14 B17 B13 111.0(2) . . . . ?
O2 B14 B17 B16 147.72(17) . . . . ?
O2 B14 B17 B18 -112.7(2) . . . . ?
O2 B14 B17 B20 -149.94(18) . . . . ?
O2 B14 B18 B15 -109.0(2) . . . . ?
O2 B14 B18 B17 112.19(19) . . . . ?
O2 B14 B18 B19 -145.85(18) . . . . ?
O2 B14 B18 B20 150.44(18) . . . . ?
C1 C2 B2 B1 35.18(17) . . . . ?
C1 C2 B2 B3 97.81(19) . . . . ?
C1 C2 B2 B6 138.19(17) . . . . ?
C1 C2 B6 B2 -39.10(19) . . . . ?
C1 C2 B6 B3 1.1(3) . . . . ?
C1 C2 B6 B7 64.2(2) . . . . ?
C1 C2 B6 B10 104.2(2) . . . . ?
C1 C2 B9 B5 -35.16(18) . . . . ?
C1 C2 B9 B8 -97.5(2) . . . . ?
C1 C2 B9 B10 -138.14(19) . . . . ?
C1 C2 B10 B6 -103.9(2) . . . . ?
C1 C2 B10 B7 -64.0(3) . . . . ?
C1 C2 B10 B8 -1.1(3) . . . . ?
C1 C2 B10 B9 39.3(2) . . . . ?
C1 B1 B2 C2 -34.62(17) . . . . ?
C1 B1 B2 B3 -133.2(2) . . . . ?
C1 B1 B2 B6 -95.6(2) . . . . ?
C1 B1 B3 B2 40.32(19) . . . . ?
C1 B1 B3 B4 -98.1(2) . . . . ?
C1 B1 B3 B6 2.7(2) . . . . ?
C1 B1 B3 B7 -60.6(2) . . . . ?
C1 B1 B4 O1 -150.9(2) . . . . ?
C1 B1 B4 B3 98.85(19) . . . . ?
C1 B1 B4 B5 -39.05(19) . . . . ?
C1 B1 B4 B7 61.8(2) . . . . ?
C1 B1 B4 B8 -1.3(2) . . . . ?
C1 B1 B5 B4 133.89(19) . . . . ?
C1 B1 B5 B8 95.6(2) . . . . ?
C1 B1 B5 B9 32.93(18) . . . . ?
C1 B2 B3 B1 -39.70(19) . . . . ?
C1 B2 B3 B4 -2.2(2) . . . . ?
C1 B2 B3 B6 98.4(2) . . . . ?
C1 B2 B3 B7 61.5(2) . . . . ?
C1 B2 B6 C2 35.16(16) . . . . ?
C1 B2 B6 B3 -98.42(19) . . . . ?
C1 B2 B6 B7 -61.0(2) . . . . ?
C1 B2 B6 B10 2.9(2) . . . . ?
C1 B5 B8 B4 99.6(2) . . . . ?
C1 B5 B8 B7 62.0(2) . . . . ?
C1 B5 B8 B9 -39.8(2) . . . . ?
C1 B5 B8 B10 -1.5(3) . . . . ?
C1 B5 B9 C2 34.91(18) . . . . ?
C1 B5 B9 B8 133.6(2) . . . . ?
C1 B5 B9 B10 95.3(2) . . . . ?
C1 B9 B10 C2 -35.13(17) . . . . ?
C1 B9 B10 B6 -2.4(2) . . . . ?
C1 B9 B10 B7 61.4(2) . . . . ?
C1 B9 B10 B8 98.2(2) . . . . ?
C2 C1 B1 B2 38.4(2) . . . . ?
C2 C1 B1 B3 -2.1(3) . . . . ?
C2 C1 B1 B4 -64.6(3) . . . . ?
C2 C1 B1 B5 -104.5(2) . . . . ?
C2 C1 B2 B1 -138.90(18) . . . . ?
C2 C1 B2 B3 -98.01(19) . . . . ?
C2 C1 B2 B6 -35.86(16) . . . . ?
C2 C1 B5 B1 104.1(2) . . . . ?
C2 C1 B5 B4 63.4(3) . . . . ?
C2 C1 B5 B8 0.8(3) . . . . ?
C2 C1 B5 B9 -39.0(2) . . . . ?
C2 C1 B9 B5 138.3(2) . . . . ?
C2 C1 B9 B8 97.9(2) . . . . ?
C2 C1 B9 B10 35.72(16) . . . . ?
C2 B2 B3 B1 -98.5(2) . . . . ?
C2 B2 B3 B4 -61.1(2) . . . . ?
C2 B2 B3 B6 39.56(18) . . . . ?
C2 B2 B3 B7 2.7(2) . . . . ?
C2 B2 B6 B3 -133.58(19) . . . . ?
C2 B2 B6 B7 -96.16(19) . . . . ?
C2 B2 B6 B10 -32.29(16) . . . . ?
C2 B6 B7 B3 -98.43(19) . . . . ?
C2 B6 B7 B4 -61.2(2) . . . . ?
C2 B6 B7 B8 1.5(2) . . . . ?
C2 B6 B7 B10 38.95(17) . . . . ?
C2 B6 B7 B17 148.61(18) . . . . ?
C2 B6 B10 B7 -134.32(18) . . . . ?
C2 B6 B10 B8 -95.9(2) . . . . ?
C2 B6 B10 B9 -32.80(17) . . . . ?
C2 B9 B10 B6 32.71(17) . . . . ?
C2 B9 B10 B7 96.6(2) . . . . ?
C2 B9 B10 B8 133.3(2) . . . . ?
C3 C4 B12 B11 -34.95(15) . . . . ?
C3 C4 B12 B13 -97.29(16) . . . . ?
C3 C4 B12 B16 -137.81(16) . . . . ?
C3 C4 B16 B12 39.67(18) . . . . ?
C3 C4 B16 B13 -0.9(2) . . . . ?
C3 C4 B16 B17 -64.2(2) . . . . ?
C3 C4 B16 B20 -103.9(2) . . . . ?
C3 C4 B19 B15 35.11(15) . . . . ?
C3 C4 B19 B18 97.71(17) . . . . ?
C3 C4 B19 B20 138.10(16) . . . . ?
C3 C4 B20 B16 104.21(18) . . . . ?
C3 C4 B20 B17 64.4(2) . . . . ?
C3 C4 B20 B18 1.4(2) . . . . ?
C3 C4 B20 B19 -39.24(17) . . . . ?
C3 B11 B12 C4 34.45(16) . . . . ?
C3 B11 B12 B13 132.73(18) . . . . ?
C3 B11 B12 B16 94.96(19) . . . . ?
C3 B11 B13 B12 -40.67(16) . . . . ?
C3 B11 B13 B14 98.64(17) . . . . ?
C3 B11 B13 B16 -2.4(2) . . . . ?
C3 B11 B13 B17 61.53(18) . . . . ?
C3 B11 B14 O2 149.74(17) . . . . ?
C3 B11 B14 B13 -98.20(16) . . . . ?
C3 B11 B14 B15 39.31(14) . . . . ?
C3 B11 B14 B17 -61.33(18) . . . . ?
C3 B11 B14 B18 1.74(19) . . . . ?
C3 B11 B15 B14 -133.74(16) . . . . ?
C3 B11 B15 B18 -95.75(17) . . . . ?
C3 B11 B15 B19 -32.79(16) . . . . ?
C3 B12 B13 B11 39.59(15) . . . . ?
C3 B12 B13 B14 2.8(2) . . . . ?
C3 B12 B13 B16 -97.94(18) . . . . ?
C3 B12 B13 B17 -61.44(19) . . . . ?
C3 B12 B16 C4 -35.14(14) . . . . ?
C3 B12 B16 B13 97.90(16) . . . . ?
C3 B12 B16 B17 61.10(19) . . . . ?
C3 B12 B16 B20 -2.89(19) . . . . ?
C3 B15 B18 B14 -98.31(16) . . . . ?
C3 B15 B18 B17 -61.11(18) . . . . ?
C3 B15 B18 B19 40.48(16) . . . . ?
C3 B15 B18 B20 2.8(2) . . . . ?
C3 B15 B19 C4 -34.46(15) . . . . ?
C3 B15 B19 B18 -132.88(17) . . . . ?
C3 B15 B19 B20 -95.2(2) . . . . ?
C3 B19 B20 C4 35.00(15) . . . . ?
C3 B19 B20 B16 2.7(2) . . . . ?
C3 B19 B20 B17 -61.5(2) . . . . ?
C3 B19 B20 B18 -98.34(17) . . . . ?
C4 C3 B11 B12 -38.72(18) . . . . ?
C4 C3 B11 B13 1.9(2) . . . . ?
C4 C3 B11 B14 64.2(2) . . . . ?
C4 C3 B11 B15 104.5(2) . . . . ?
C4 C3 B12 B11 138.66(18) . . . . ?
C4 C3 B12 B13 97.59(17) . . . . ?
C4 C3 B12 B16 35.95(14) . . . . ?
C4 C3 B15 B11 -104.50(19) . . . . ?
C4 C3 B15 B14 -64.2(2) . . . . ?
C4 C3 B15 B18 -2.0(2) . . . . ?
C4 C3 B15 B19 38.67(17) . . . . ?
C4 C3 B19 B15 -138.79(16) . . . . ?
C4 C3 B19 B18 -97.67(17) . . . . ?
C4 C3 B19 B20 -35.83(15) . . . . ?
C4 B12 B13 B11 97.80(18) . . . . ?
C4 B12 B13 B14 61.01(19) . . . . ?
C4 B12 B13 B16 -39.74(15) . . . . ?
C4 B12 B13 B17 -3.2(2) . . . . ?
C4 B12 B16 B13 133.04(17) . . . . ?
C4 B12 B16 B17 96.24(17) . . . . ?
C4 B12 B16 B20 32.25(15) . . . . ?
C4 B16 B17 B7 -149.34(17) . . . . ?
C4 B16 B17 B13 98.06(17) . . . . ?
C4 B16 B17 B14 60.97(18) . . . . ?
C4 B16 B17 B18 -1.6(2) . . . . ?
C4 B16 B17 B20 -38.85(15) . . . . ?
C4 B16 B20 B17 134.70(16) . . . . ?
C4 B16 B20 B18 96.16(18) . . . . ?
C4 B16 B20 B19 32.56(15) . . . . ?
C4 B19 B20 B16 -32.32(15) . . . . ?
C4 B19 B20 B17 -96.47(18) . . . . ?
C4 B19 B20 B18 -133.34(17) . . . . ?
B1 C1 C2 B2 -38.9(2) . . . . ?
B1 C1 C2 B6 0.7(3) . . . . ?
B1 C1 C2 B9 108.9(2) . . . . ?
B1 C1 C2 B10 69.1(3) . . . . ?
B1 C1 B2 C2 138.90(18) . . . . ?
B1 C1 B2 B3 40.89(17) . . . . ?
B1 C1 B2 B6 103.04(18) . . . . ?
B1 C1 B5 B4 -40.71(19) . . . . ?
B1 C1 B5 B8 -103.3(2) . . . . ?
B1 C1 B5 B9 -143.1(2) . . . . ?
B1 C1 B9 C2 -101.5(2) . . . . ?
B1 C1 B9 B5 36.8(2) . . . . ?
B1 C1 B9 B8 -3.6(3) . . . . ?
B1 C1 B9 B10 -65.8(3) . . . . ?
B1 B2 B3 B4 37.48(19) . . . . ?
B1 B2 B3 B6 138.1(2) . . . . ?
B1 B2 B3 B7 101.3(2) . . . . ?
B1 B2 B6 C2 95.8(2) . . . . ?
B1 B2 B6 B3 -37.8(2) . . . . ?
B1 B2 B6 B7 -0.3(3) . . . . ?
B1 B2 B6 B10 63.5(2) . . . . ?
B1 B3 B4 O1 -109.0(2) . . . . ?
B1 B3 B4 B5 37.04(19) . . . . ?
B1 B3 B4 B7 138.38(18) . . . . ?
B1 B3 B4 B8 99.98(19) . . . . ?
B1 B3 B6 C2 -2.4(2) . . . . ?
B1 B3 B6 B2 37.39(18) . . . . ?
B1 B3 B6 B7 -101.45(19) . . . . ?
B1 B3 B6 B10 -63.1(2) . . . . ?
B1 B3 B7 B4 -37.56(15) . . . . ?
B1 B3 B7 B6 100.52(18) . . . . ?
B1 B3 B7 B8 0.7(2) . . . . ?
B1 B3 B7 B10 62.9(2) . . . . ?
B1 B3 B7 B17 -149.16(17) . . . . ?
B1 B4 B5 C1 39.54(19) . . . . ?
B1 B4 B5 B8 137.40(18) . . . . ?
B1 B4 B5 B9 101.5(2) . . . . ?
B1 B4 B7 B3 36.75(18) . . . . ?
B1 B4 B7 B6 -0.2(2) . . . . ?
B1 B4 B7 B8 -99.9(2) . . . . ?
B1 B4 B7 B10 -63.0(2) . . . . ?
B1 B4 B7 B17 149.7(2) . . . . ?
B1 B4 B8 B5 -37.52(18) . . . . ?
B1 B4 B8 B7 100.69(18) . . . . ?
B1 B4 B8 B9 -0.8(2) . . . . ?
B1 B4 B8 B10 63.1(2) . . . . ?
B1 B5 B8 B4 38.57(17) . . . . ?
B1 B5 B8 B7 1.0(2) . . . . ?
B1 B5 B8 B9 -100.9(2) . . . . ?
B1 B5 B8 B10 -62.5(2) . . . . ?
B1 B5 B9 C1 -32.69(18) . . . . ?
B1 B5 B9 C2 2.2(3) . . . . ?
B1 B5 B9 B8 101.0(2) . . . . ?
B1 B5 B9 B10 62.6(3) . . . . ?
B2 C1 C2 B6 39.59(18) . . . . ?
B2 C1 C2 B9 147.79(18) . . . . ?
B2 C1 C2 B10 108.0(2) . . . . ?
B2 C1 B1 B3 -40.54(18) . . . . ?
B2 C1 B1 B4 -102.97(19) . . . . ?
B2 C1 B1 B5 -142.9(2) . . . . ?
B2 C1 B5 B1 36.4(2) . . . . ?
B2 C1 B5 B4 -4.3(3) . . . . ?
B2 C1 B5 B8 -66.9(3) . . . . ?
B2 C1 B5 B9 -106.7(2) . . . . ?
B2 C1 B9 C2 -31.13(18) . . . . ?
B2 C1 B9 B5 107.2(2) . . . . ?
B2 C1 B9 B8 66.8(3) . . . . ?
B2 C1 B9 B10 4.6(3) . . . . ?
B2 C2 B6 B3 40.19(16) . . . . ?
B2 C2 B6 B7 103.33(17) . . . . ?
B2 C2 B6 B10 143.30(18) . . . . ?
B2 C2 B9 C1 31.35(19) . . . . ?
B2 C2 B9 B5 -3.8(3) . . . . ?
B2 C2 B9 B8 -66.2(3) . . . . ?
B2 C2 B9 B10 -106.8(2) . . . . ?
B2 C2 B10 B6 -36.04(19) . . . . ?
B2 C2 B10 B7 3.9(3) . . . . ?
B2 C2 B10 B8 66.8(3) . . . . ?
B2 C2 B10 B9 107.1(2) . . . . ?
B2 B1 B3 B4 -138.4(2) . . . . ?
B2 B1 B3 B6 -37.58(18) . . . . ?
B2 B1 B3 B7 -100.97(19) . . . . ?
B2 B1 B4 O1 147.4(2) . . . . ?
B2 B1 B4 B3 37.08(19) . . . . ?
B2 B1 B4 B5 -100.8(2) . . . . ?
B2 B1 B4 B7 0.0(3) . . . . ?
B2 B1 B4 B8 -63.0(3) . . . . ?
B2 B1 B5 C1 -33.05(18) . . . . ?
B2 B1 B5 B4 100.84(19) . . . . ?
B2 B1 B5 B8 62.5(2) . . . . ?
B2 B1 B5 B9 -0.1(3) . . . . ?
B2 B3 B4 O1 -146.21(19) . . . . ?
B2 B3 B4 B1 -37.21(18) . . . . ?
B2 B3 B4 B5 -0.2(2) . . . . ?
B2 B3 B4 B7 101.17(18) . . . . ?
B2 B3 B4 B8 62.8(2) . . . . ?
B2 B3 B6 C2 -39.75(18) . . . . ?
B2 B3 B6 B7 -138.84(19) . . . . ?
B2 B3 B6 B10 -100.5(2) . . . . ?
B2 B3 B7 B4 -101.03(19) . . . . ?
B2 B3 B7 B6 37.04(17) . . . . ?
B2 B3 B7 B8 -62.8(2) . . . . ?
B2 B3 B7 B10 -0.5(2) . . . . ?
B2 B3 B7 B17 147.37(18) . . . . ?
B2 B6 B7 B3 -36.88(18) . . . . ?
B2 B6 B7 B4 0.3(2) . . . . ?
B2 B6 B7 B8 63.0(2) . . . . ?
B2 B6 B7 B10 100.5(2) . . . . ?
B2 B6 B7 B17 -149.84(19) . . . . ?
B2 B6 B10 C2 32.52(16) . . . . ?
B2 B6 B10 B7 -101.80(17) . . . . ?
B2 B6 B10 B8 -63.4(2) . . . . ?
B2 B6 B10 B9 -0.3(2) . . . . ?
B3 B1 B2 C1 133.2(2) . . . . ?
B3 B1 B2 C2 98.56(19) . . . . ?
B3 B1 B2 B6 37.57(19) . . . . ?
B3 B1 B4 O1 110.3(2) . . . . ?
B3 B1 B4 B5 -137.90(19) . . . . ?
B3 B1 B4 B7 -37.07(17) . . . . ?
B3 B1 B4 B8 -100.11(18) . . . . ?
B3 B1 B5 C1 -96.15(19) . . . . ?
B3 B1 B5 B4 37.75(16) . . . . ?
B3 B1 B5 B8 -0.6(2) . . . . ?
B3 B1 B5 B9 -63.2(2) . . . . ?
B3 B2 B6 C2 133.58(19) . . . . ?
B3 B2 B6 B7 37.41(17) . . . . ?
B3 B2 B6 B10 101.29(18) . . . . ?
B3 B4 B5 C1 2.6(3) . . . . ?
B3 B4 B5 B1 -36.98(17) . . . . ?
B3 B4 B5 B8 100.41(17) . . . . ?
B3 B4 B5 B9 64.5(3) . . . . ?
B3 B4 B7 B6 -36.96(16) . . . . ?
B3 B4 B7 B8 -136.67(17) . . . . ?
B3 B4 B7 B10 -99.70(17) . . . . ?
B3 B4 B7 B17 112.9(2) . . . . ?
B3 B4 B8 B5 -99.78(18) . . . . ?
B3 B4 B8 B7 38.44(14) . . . . ?
B3 B4 B8 B9 -63.0(2) . . . . ?
B3 B4 B8 B10 0.9(2) . . . . ?
B3 B6 B7 B4 37.22(16) . . . . ?
B3 B6 B7 B8 99.92(18) . . . . ?
B3 B6 B7 B10 137.38(18) . . . . ?
B3 B6 B7 B17 -113.0(2) . . . . ?
B3 B6 B10 C2 95.71(18) . . . . ?
B3 B6 B10 B7 -38.60(15) . . . . ?
B3 B6 B10 B8 -0.2(2) . . . . ?
B3 B6 B10 B9 62.9(2) . . . . ?
B3 B7 B8 B4 -38.31(14) . . . . ?
B3 B7 B8 B5 -1.0(2) . . . . ?
B3 B7 B8 B9 63.2(2) . . . . ?
B3 B7 B8 B10 99.77(17) . . . . ?
B3 B7 B10 C2 -1.9(2) . . . . ?
B3 B7 B10 B6 37.42(16) . . . . ?
B3 B7 B10 B8 -99.98(18) . . . . ?
B3 B7 B10 B9 -63.7(2) . . . . ?
B3 B7 B17 B13 -15.6(2) . . . . ?
B3 B7 B17 B14 57.7(2) . . . . ?
B3 B7 B17 B16 -86.7(2) . . . . ?
B3 B7 B17 B18 130.87(18) . . . . ?
B3 B7 B17 B20 -157.97(17) . . . . ?
B4 B1 B2 C1 95.8(2) . . . . ?
B4 B1 B2 C2 61.2(3) . . . . ?
B4 B1 B2 B3 -37.36(19) . . . . ?
B4 B1 B2 B6 0.2(3) . . . . ?
B4 B1 B3 B2 138.4(2) . . . . ?
B4 B1 B3 B6 100.82(18) . . . . ?
B4 B1 B3 B7 37.44(15) . . . . ?
B4 B1 B5 C1 -133.89(19) . . . . ?
B4 B1 B5 B8 -38.32(16) . . . . ?
B4 B1 B5 B9 -101.0(2) . . . . ?
B4 B3 B6 C2 61.5(2) . . . . ?
B4 B3 B6 B2 101.30(19) . . . . ?
B4 B3 B6 B7 -37.54(15) . . . . ?
B4 B3 B6 B10 0.8(2) . . . . ?
B4 B3 B7 B6 138.07(18) . . . . ?
B4 B3 B7 B8 38.23(15) . . . . ?
B4 B3 B7 B10 100.48(17) . . . . ?
B4 B3 B7 B17 -111.60(18) . . . . ?
B4 B5 B8 B7 -37.58(16) . . . . ?
B4 B5 B8 B9 -139.4(2) . . . . ?
B4 B5 B8 B10 -101.09(19) . . . . ?
B4 B5 B9 C1 -97.2(2) . . . . ?
B4 B5 B9 C2 -62.3(3) . . . . ?
B4 B5 B9 B8 36.46(19) . . . . ?
B4 B5 B9 B10 -1.9(3) . . . . ?
B4 B7 B8 B5 37.29(16) . . . . ?
B4 B7 B8 B9 101.5(2) . . . . ?
B4 B7 B8 B10 138.08(18) . . . . ?
B4 B7 B10 C2 61.0(2) . . . . ?
B4 B7 B10 B6 100.28(17) . . . . ?
B4 B7 B10 B8 -37.12(17) . . . . ?
B4 B7 B10 B9 -0.8(2) . . . . ?
B4 B7 B17 B13 -89.0(2) . . . . ?
B4 B7 B17 B14 -15.7(3) . . . . ?
B4 B7 B17 B16 -160.07(18) . . . . ?
B4 B7 B17 B18 57.5(3) . . . . ?
B4 B7 B17 B20 128.7(2) . . . . ?
B4 B8 B9 C1 2.5(3) . . . . ?
B4 B8 B9 C2 61.2(2) . . . . ?
B4 B8 B9 B5 -36.4(2) . . . . ?
B4 B8 B9 B10 100.8(2) . . . . ?
B4 B8 B10 C2 -61.7(2) . . . . ?
B4 B8 B10 B6 -0.4(2) . . . . ?
B4 B8 B10 B7 37.73(15) . . . . ?
B4 B8 B10 B9 -101.8(2) . . . . ?
B5 C1 C2 B2 -107.9(2) . . . . ?
B5 C1 C2 B6 -68.3(3) . . . . ?
B5 C1 C2 B9 39.9(2) . . . . ?
B5 C1 C2 B10 0.2(3) . . . . ?
B5 C1 B1 B2 142.9(2) . . . . ?
B5 C1 B1 B3 102.3(2) . . . . ?
B5 C1 B1 B4 39.92(18) . . . . ?
B5 C1 B2 C2 102.2(2) . . . . ?
B5 C1 B2 B1 -36.7(2) . . . . ?
B5 C1 B2 B3 4.2(3) . . . . ?
B5 C1 B2 B6 66.4(3) . . . . ?
B5 C1 B9 C2 -138.3(2) . . . . ?
B5 C1 B9 B8 -40.38(19) . . . . ?
B5 C1 B9 B10 -102.6(2) . . . . ?
B5 B1 B2 C1 32.58(18) . . . . ?
B5 B1 B2 C2 -2.0(2) . . . . ?
B5 B1 B2 B3 -100.6(2) . . . . ?
B5 B1 B2 B6 -63.0(3) . . . . ?
B5 B1 B3 B2 100.9(2) . . . . ?
B5 B1 B3 B4 -37.50(17) . . . . ?
B5 B1 B3 B6 63.3(2) . . . . ?
B5 B1 B3 B7 -0.1(2) . . . . ?
B5 B1 B4 O1 -111.8(2) . . . . ?
B5 B1 B4 B3 137.90(19) . . . . ?
B5 B1 B4 B7 100.8(2) . . . . ?
B5 B1 B4 B8 37.79(18) . . . . ?
B5 B4 B7 B3 99.37(19) . . . . ?
B5 B4 B7 B6 62.4(2) . . . . ?
B5 B4 B7 B8 -37.30(18) . . . . ?
B5 B4 B7 B10 -0.3(2) . . . . ?
B5 B4 B7 B17 -147.69(19) . . . . ?
B5 B4 B8 B7 138.22(18) . . . . ?
B5 B4 B8 B9 36.74(19) . . . . ?
B5 B4 B8 B10 100.7(2) . . . . ?
B5 B8 B9 C1 38.9(2) . . . . ?
B5 B8 B9 C2 97.6(2) . . . . ?
B5 B8 B9 B10 137.2(2) . . . . ?
B5 B8 B10 C2 1.5(2) . . . . ?
B5 B8 B10 B6 62.8(2) . . . . ?
B5 B8 B10 B7 101.0(2) . . . . ?
B5 B8 B10 B9 -38.5(2) . . . . ?
B5 B9 B10 C2 -94.9(2) . . . . ?
B5 B9 B10 B6 -62.2(3) . . . . ?
B5 B9 B10 B7 1.7(3) . . . . ?
B5 B9 B10 B8 38.4(2) . . . . ?
B6 C2 B2 C1 -138.19(17) . . . . ?
B6 C2 B2 B1 -103.01(18) . . . . ?
B6 C2 B2 B3 -40.38(17) . . . . ?
B6 C2 B9 C1 101.9(2) . . . . ?
B6 C2 B9 B5 66.7(3) . . . . ?
B6 C2 B9 B8 4.4(3) . . . . ?
B6 C2 B9 B10 -36.3(2) . . . . ?
B6 C2 B10 B7 39.96(16) . . . . ?
B6 C2 B10 B8 102.84(18) . . . . ?
B6 C2 B10 B9 143.19(19) . . . . ?
B6 B2 B3 B1 -138.1(2) . . . . ?
B6 B2 B3 B4 -100.63(18) . . . . ?
B6 B2 B3 B7 -36.85(16) . . . . ?
B6 B3 B4 O1 150.00(19) . . . . ?
B6 B3 B4 B1 -101.00(19) . . . . ?
B6 B3 B4 B5 -64.0(2) . . . . ?
B6 B3 B4 B7 37.39(15) . . . . ?
B6 B3 B4 B8 -1.0(2) . . . . ?
B6 B3 B7 B4 -138.07(18) . . . . ?
B6 B3 B7 B8 -99.85(17) . . . . ?
B6 B3 B7 B10 -37.59(17) . . . . ?
B6 B3 B7 B17 110.33(19) . . . . ?
B6 B7 B8 B4 -100.50(16) . . . . ?
B6 B7 B8 B5 -63.2(2) . . . . ?
B6 B7 B8 B9 1.0(2) . . . . ?
B6 B7 B8 B10 37.59(16) . . . . ?
B6 B7 B10 C2 -39.29(17) . . . . ?
B6 B7 B10 B8 -137.40(18) . . . . ?
B6 B7 B10 B9 -101.1(2) . . . . ?
B6 B7 B17 B13 56.5(2) . . . . ?
B6 B7 B17 B14 129.86(18) . . . . ?
B6 B7 B17 B16 -14.5(3) . . . . ?
B6 B7 B17 B18 -156.94(17) . . . . ?
B6 B7 B17 B20 -85.8(2) . . . . ?
B7 B3 B4 O1 112.6(2) . . . . ?
B7 B3 B4 B1 -138.38(18) . . . . ?
B7 B3 B4 B5 -101.35(19) . . . . ?
B7 B3 B4 B8 -38.40(15) . . . . ?
B7 B3 B6 C2 99.09(18) . . . . ?
B7 B3 B6 B2 138.84(19) . . . . ?
B7 B3 B6 B10 38.31(16) . . . . ?
B7 B4 B5 C1 -60.6(2) . . . . ?
B7 B4 B5 B1 -100.11(18) . . . . ?
B7 B4 B5 B8 37.29(16) . . . . ?
B7 B4 B5 B9 1.3(3) . . . . ?
B7 B4 B8 B5 -138.22(18) . . . . ?
B7 B4 B8 B9 -101.5(2) . . . . ?
B7 B4 B8 B10 -37.56(15) . . . . ?
B7 B6 B10 C2 134.32(18) . . . . ?
B7 B6 B10 B8 38.38(16) . . . . ?
B7 B6 B10 B9 101.51(19) . . . . ?
B7 B8 B9 C1 -61.8(2) . . . . ?
B7 B8 B9 C2 -3.1(3) . . . . ?
B7 B8 B9 B5 -100.7(2) . . . . ?
B7 B8 B9 B10 36.50(18) . . . . ?
B7 B8 B10 C2 -99.44(19) . . . . ?
B7 B8 B10 B6 -38.14(16) . . . . ?
B7 B8 B10 B9 -139.5(2) . . . . ?
B7 B17 B18 B14 -112.92(18) . . . . ?
B7 B17 B18 B15 -150.01(16) . . . . ?
B7 B17 B18 B19 146.31(17) . . . . ?
B7 B17 B18 B20 109.74(19) . . . . ?
B7 B17 B20 C4 149.49(17) . . . . ?
B7 B17 B20 B16 110.66(19) . . . . ?
B7 B17 B20 B18 -112.02(19) . . . . ?
B7 B17 B20 B19 -148.57(19) . . . . ?
B8 B4 B5 C1 -97.9(2) . . . . ?
B8 B4 B5 B1 -137.40(18) . . . . ?
B8 B4 B5 B9 -35.9(2) . . . . ?
B8 B4 B7 B3 136.67(17) . . . . ?
B8 B4 B7 B6 99.71(17) . . . . ?
B8 B4 B7 B10 36.97(16) . . . . ?
B8 B4 B7 B17 -110.4(2) . . . . ?
B8 B5 B9 C1 -133.6(2) . . . . ?
B8 B5 B9 C2 -98.7(2) . . . . ?
B8 B5 B9 B10 -38.3(2) . . . . ?
B8 B7 B10 C2 98.1(2) . . . . ?
B8 B7 B10 B6 137.40(18) . . . . ?
B8 B7 B10 B9 36.30(19) . . . . ?
B8 B7 B17 B13 -161.17(17) . . . . ?
B8 B7 B17 B14 -87.8(2) . . . . ?
B8 B7 B17 B16 127.76(19) . . . . ?
B8 B7 B17 B18 -14.7(3) . . . . ?
B8 B7 B17 B20 56.5(2) . . . . ?
B8 B9 B10 C2 -133.3(2) . . . . ?
B8 B9 B10 B6 -100.59(19) . . . . ?
B8 B9 B10 B7 -36.75(18) . . . . ?
B9 C1 C2 B2 -147.79(18) . . . . ?
B9 C1 C2 B6 -108.2(2) . . . . ?
B9 C1 C2 B10 -39.7(2) . . . . ?
B9 C1 B1 B2 106.1(2) . . . . ?
B9 C1 B1 B3 65.5(3) . . . . ?
B9 C1 B1 B4 3.1(3) . . . . ?
B9 C1 B1 B5 -36.8(2) . . . . ?
B9 C1 B2 C2 31.09(18) . . . . ?
B9 C1 B2 B1 -107.8(2) . . . . ?
B9 C1 B2 B3 -66.9(2) . . . . ?
B9 C1 B2 B6 -4.8(3) . . . . ?
B9 C1 B5 B1 143.1(2) . . . . ?
B9 C1 B5 B4 102.3(2) . . . . ?
B9 C1 B5 B8 39.8(2) . . . . ?
B9 C2 B2 C1 -31.41(19) . . . . ?
B9 C2 B2 B1 3.8(3) . . . . ?
B9 C2 B2 B3 66.4(3) . . . . ?
B9 C2 B2 B6 106.8(2) . . . . ?
B9 C2 B6 B2 -107.1(2) . . . . ?
B9 C2 B6 B3 -66.9(3) . . . . ?
B9 C2 B6 B7 -3.8(3) . . . . ?
B9 C2 B6 B10 36.2(2) . . . . ?
B9 C2 B10 B6 -143.19(19) . . . . ?
B9 C2 B10 B7 -103.2(2) . . . . ?
B9 C2 B10 B8 -40.35(18) . . . . ?
B9 B5 B8 B4 139.4(2) . . . . ?
B9 B5 B8 B7 101.9(2) . . . . ?
B9 B5 B8 B10 38.4(2) . . . . ?
B9 B8 B10 C2 40.04(19) . . . . ?
B9 B8 B10 B6 101.3(2) . . . . ?
B9 B8 B10 B7 139.5(2) . . . . ?
B10 C2 B2 C1 -102.0(2) . . . . ?
B10 C2 B2 B1 -66.9(3) . . . . ?
B10 C2 B2 B3 -4.2(3) . . . . ?
B10 C2 B2 B6 36.14(19) . . . . ?
B10 C2 B6 B2 -143.30(18) . . . . ?
B10 C2 B6 B3 -103.10(18) . . . . ?
B10 C2 B6 B7 -39.96(16) . . . . ?
B10 C2 B9 C1 138.14(19) . . . . ?
B10 C2 B9 B5 103.0(2) . . . . ?
B10 C2 B9 B8 40.61(18) . . . . ?
B10 B6 B7 B3 -137.38(18) . . . . ?
B10 B6 B7 B4 -100.15(18) . . . . ?
B10 B6 B7 B8 -37.45(17) . . . . ?
B10 B6 B7 B17 109.7(2) . . . . ?
B10 B7 B8 B4 -138.08(18) . . . . ?
B10 B7 B8 B5 -100.8(2) . . . . ?
B10 B7 B8 B9 -36.58(19) . . . . ?
B10 B7 B17 B13 127.95(19) . . . . ?
B10 B7 B17 B14 -158.73(17) . . . . ?
B10 B7 B17 B16 56.9(3) . . . . ?
B10 B7 B17 B18 -85.5(2) . . . . ?
B10 B7 B17 B20 -14.4(3) . . . . ?
B10 B8 B9 C1 -98.3(2) . . . . ?
B10 B8 B9 C2 -39.57(18) . . . . ?
B10 B8 B9 B5 -137.2(2) . . . . ?
B11 C3 C4 B12 39.38(18) . . . . ?
B11 C3 C4 B16 -0.7(3) . . . . ?
B11 C3 C4 B19 -108.8(2) . . . . ?
B11 C3 C4 B20 -69.2(2) . . . . ?
B11 C3 B12 C4 -138.66(18) . . . . ?
B11 C3 B12 B13 -41.07(15) . . . . ?
B11 C3 B12 B16 -102.70(16) . . . . ?
B11 C3 B15 B14 40.26(15) . . . . ?
B11 C3 B15 B18 102.50(16) . . . . ?
B11 C3 B15 B19 143.16(17) . . . . ?
B11 C3 B19 C4 101.93(19) . . . . ?
B11 C3 B19 B15 -36.86(17) . . . . ?
B11 C3 B19 B18 4.3(2) . . . . ?
B11 C3 B19 B20 66.1(2) . . . . ?
B11 B12 B13 B14 -36.79(15) . . . . ?
B11 B12 B13 B16 -137.54(18) . . . . ?
B11 B12 B13 B17 -101.03(16) . . . . ?
B11 B12 B16 C4 -94.96(19) . . . . ?
B11 B12 B16 B13 38.08(16) . . . . ?
B11 B12 B16 B17 1.3(2) . . . . ?
B11 B12 B16 B20 -62.7(2) . . . . ?
B11 B13 B14 O2 108.31(19) . . . . ?
B11 B13 B14 B15 -37.56(14) . . . . ?
B11 B13 B14 B17 -138.86(15) . . . . ?
B11 B13 B14 B18 -100.23(16) . . . . ?
B11 B13 B16 C4 2.1(2) . . . . ?
B11 B13 B16 B12 -38.11(16) . . . . ?
B11 B13 B16 B17 101.67(16) . . . . ?
B11 B13 B16 B20 63.1(2) . . . . ?
B11 B13 B17 B7 149.75(15) . . . . ?
B11 B13 B17 B14 37.12(13) . . . . ?
B11 B13 B17 B16 -100.77(16) . . . . ?
B11 B13 B17 B18 -1.37(17) . . . . ?
B11 B13 B17 B20 -63.04(17) . . . . ?
B11 B14 B15 C3 -39.09(15) . . . . ?
B11 B14 B15 B18 -137.54(16) . . . . ?
B11 B14 B15 B19 -100.83(19) . . . . ?
B11 B14 B17 B7 -148.78(17) . . . . ?
B11 B14 B17 B13 -36.59(14) . . . . ?
B11 B14 B17 B16 0.09(19) . . . . ?
B11 B14 B17 B18 99.72(16) . . . . ?
B11 B14 B17 B20 62.43(19) . . . . ?
B11 B14 B18 B15 37.57(14) . . . . ?
B11 B14 B18 B17 -101.29(15) . . . . ?
B11 B14 B18 B19 0.7(2) . . . . ?
B11 B14 B18 B20 -63.03(18) . . . . ?
B11 B15 B18 B14 -38.00(14) . . . . ?
B11 B15 B18 B17 -0.8(2) . . . . ?
B11 B15 B18 B19 100.78(18) . . . . ?
B11 B15 B18 B20 63.06(19) . . . . ?
B11 B15 B19 C3 32.26(15) . . . . ?
B11 B15 B19 C4 -2.2(2) . . . . ?
B11 B15 B19 B18 -100.63(17) . . . . ?
B11 B15 B19 B20 -63.0(2) . . . . ?
B12 C3 C4 B16 -40.04(18) . . . . ?
B12 C3 C4 B19 -148.17(17) . . . . ?
B12 C3 C4 B20 -108.57(19) . . . . ?
B12 C3 B11 B13 40.63(15) . . . . ?
B12 C3 B11 B14 102.96(17) . . . . ?
B12 C3 B11 B15 143.24(17) . . . . ?
B12 C3 B15 B11 -36.52(18) . . . . ?
B12 C3 B15 B14 3.7(2) . . . . ?
B12 C3 B15 B18 66.0(2) . . . . ?
B12 C3 B15 B19 106.6(2) . . . . ?
B12 C3 B19 C4 30.91(16) . . . . ?
B12 C3 B19 B15 -107.88(18) . . . . ?
B12 C3 B19 B18 -66.8(2) . . . . ?
B12 C3 B19 B20 -4.9(2) . . . . ?
B12 C4 B16 B13 -40.61(15) . . . . ?
B12 C4 B16 B17 -103.90(16) . . . . ?
B12 C4 B16 B20 -143.58(16) . . . . ?
B12 C4 B19 C3 -31.27(17) . . . . ?
B12 C4 B19 B15 3.8(2) . . . . ?
B12 C4 B19 B18 66.4(2) . . . . ?
B12 C4 B19 B20 106.83(19) . . . . ?
B12 C4 B20 B16 35.90(17) . . . . ?
B12 C4 B20 B17 -3.9(2) . . . . ?
B12 C4 B20 B18 -66.9(2) . . . . ?
B12 C4 B20 B19 -107.5(2) . . . . ?
B12 B11 B13 B14 139.32(17) . . . . ?
B12 B11 B13 B16 38.23(17) . . . . ?
B12 B11 B13 B17 102.20(17) . . . . ?
B12 B11 B14 O2 -148.24(18) . . . . ?
B12 B11 B14 B13 -36.17(15) . . . . ?
B12 B11 B14 B15 101.33(18) . . . . ?
B12 B11 B14 B17 0.7(2) . . . . ?
B12 B11 B14 B18 63.77(19) . . . . ?
B12 B11 B15 C3 32.90(15) . . . . ?
B12 B11 B15 B14 -100.84(17) . . . . ?
B12 B11 B15 B18 -62.8(2) . . . . ?
B12 B11 B15 B19 0.1(2) . . . . ?
B12 B13 B14 O2 145.08(18) . . . . ?
B12 B13 B14 B11 36.77(15) . . . . ?
B12 B13 B14 B15 -0.8(2) . . . . ?
B12 B13 B14 B17 -102.09(16) . . . . ?
B12 B13 B14 B18 -63.45(19) . . . . ?
B12 B13 B16 C4 40.19(17) . . . . ?
B12 B13 B16 B17 139.79(16) . . . . ?
B12 B13 B16 B20 101.18(19) . . . . ?
B12 B13 B17 B7 -146.07(17) . . . . ?
B12 B13 B17 B14 101.30(16) . . . . ?
B12 B13 B17 B16 -36.60(15) . . . . ?
B12 B13 B17 B18 62.81(18) . . . . ?
B12 B13 B17 B20 1.13(19) . . . . ?
B12 B16 B17 B7 148.85(18) . . . . ?
B12 B16 B17 B13 36.25(15) . . . . ?
B12 B16 B17 B14 -0.8(2) . . . . ?
B12 B16 B17 B18 -63.41(19) . . . . ?
B12 B16 B17 B20 -100.67(19) . . . . ?
B12 B16 B20 C4 -32.42(15) . . . . ?
B12 B16 B20 B17 102.28(16) . . . . ?
B12 B16 B20 B18 63.7(2) . . . . ?
B12 B16 B20 B19 0.1(2) . . . . ?
B13 B11 B12 C3 -132.73(18) . . . . ?
B13 B11 B12 C4 -98.28(17) . . . . ?
B13 B11 B12 B16 -37.77(16) . . . . ?
B13 B11 B14 O2 -112.06(19) . . . . ?
B13 B11 B14 B15 137.50(15) . . . . ?
B13 B11 B14 B17 36.87(13) . . . . ?
B13 B11 B14 B18 99.94(15) . . . . ?
B13 B11 B15 C3 95.70(16) . . . . ?
B13 B11 B15 B14 -38.05(13) . . . . ?
B13 B11 B15 B18 -0.1(2) . . . . ?
B13 B11 B15 B19 62.90(19) . . . . ?
B13 B12 B16 C4 -133.04(17) . . . . ?
B13 B12 B16 B17 -36.80(15) . . . . ?
B13 B12 B16 B20 -100.79(16) . . . . ?
B13 B14 B15 C3 -1.6(2) . . . . ?
B13 B14 B15 B11 37.48(14) . . . . ?
B13 B14 B15 B18 -100.06(15) . . . . ?
B13 B14 B15 B19 -63.4(2) . . . . ?
B13 B14 B17 B7 -112.20(19) . . . . ?
B13 B14 B17 B16 36.68(14) . . . . ?
B13 B14 B17 B18 136.30(15) . . . . ?
B13 B14 B17 B20 99.01(16) . . . . ?
B13 B14 B18 B15 100.08(16) . . . . ?
B13 B14 B18 B17 -38.78(13) . . . . ?
B13 B14 B18 B19 63.19(19) . . . . ?
B13 B14 B18 B20 -0.5(2) . . . . ?
B13 B16 B17 B7 112.60(18) . . . . ?
B13 B16 B17 B14 -37.09(13) . . . . ?
B13 B16 B17 B18 -99.66(15) . . . . ?
B13 B16 B17 B20 -136.91(16) . . . . ?
B13 B16 B20 C4 -95.70(17) . . . . ?
B13 B16 B20 B17 39.00(15) . . . . ?
B13 B16 B20 B18 0.5(2) . . . . ?
B13 B16 B20 B19 -63.1(2) . . . . ?
B13 B17 B18 B14 38.42(13) . . . . ?
B13 B17 B18 B15 1.33(18) . . . . ?
B13 B17 B18 B19 -62.35(18) . . . . ?
B13 B17 B18 B20 -98.92(16) . . . . ?
B13 B17 B20 C4 1.5(2) . . . . ?
B13 B17 B20 B16 -37.35(14) . . . . ?
B13 B17 B20 B18 99.98(15) . . . . ?
B13 B17 B20 B19 63.4(2) . . . . ?
B14 B11 B12 C3 -96.16(18) . . . . ?
B14 B11 B12 C4 -61.7(2) . . . . ?
B14 B11 B12 B13 36.57(15) . . . . ?
B14 B11 B12 B16 -1.2(2) . . . . ?
B14 B11 B13 B12 -139.32(17) . . . . ?
B14 B11 B13 B16 -101.08(16) . . . . ?
B14 B11 B13 B17 -37.12(13) . . . . ?
B14 B11 B15 C3 133.74(16) . . . . ?
B14 B11 B15 B18 37.99(14) . . . . ?
B14 B11 B15 B19 100.95(17) . . . . ?
B14 B13 B16 C4 -61.8(2) . . . . ?
B14 B13 B16 B12 -101.97(17) . . . . ?
B14 B13 B16 B17 37.82(14) . . . . ?
B14 B13 B16 B20 -0.8(2) . . . . ?
B14 B13 B17 B7 112.63(17) . . . . ?
B14 B13 B17 B16 -137.90(15) . . . . ?
B14 B13 B17 B18 -38.49(13) . . . . ?
B14 B13 B17 B20 -100.17(15) . . . . ?
B14 B15 B18 B17 37.20(13) . . . . ?
B14 B15 B18 B19 138.78(17) . . . . ?
B14 B15 B18 B20 101.07(15) . . . . ?
B14 B15 B19 C3 95.92(18) . . . . ?
B14 B15 B19 C4 61.5(2) . . . . ?
B14 B15 B19 B18 -36.96(16) . . . . ?
B14 B15 B19 B20 0.7(3) . . . . ?
B14 B17 B18 B15 -37.09(13) . . . . ?
B14 B17 B18 B19 -100.77(18) . . . . ?
B14 B17 B18 B20 -137.35(17) . . . . ?
B14 B17 B20 C4 -60.86(19) . . . . ?
B14 B17 B20 B16 -99.69(16) . . . . ?
B14 B17 B20 B18 37.63(15) . . . . ?
B14 B17 B20 B19 1.1(2) . . . . ?
B14 B18 B19 C3 -2.8(2) . . . . ?
B14 B18 B19 C4 -61.2(2) . . . . ?
B14 B18 B19 B15 37.03(15) . . . . ?
B14 B18 B19 B20 -100.80(17) . . . . ?
B14 B18 B20 C4 61.09(19) . . . . ?
B14 B18 B20 B16 0.0(2) . . . . ?
B14 B18 B20 B17 -38.32(14) . . . . ?
B14 B18 B20 B19 101.20(18) . . . . ?
B15 C3 C4 B12 109.00(18) . . . . ?
B15 C3 C4 B16 69.0(2) . . . . ?
B15 C3 C4 B19 -39.17(17) . . . . ?
B15 C3 C4 B20 0.4(2) . . . . ?
B15 C3 B11 B12 -143.24(17) . . . . ?
B15 C3 B11 B13 -102.61(16) . . . . ?
B15 C3 B11 B14 -40.28(14) . . . . ?
B15 C3 B12 C4 -101.8(2) . . . . ?
B15 C3 B12 B11 36.87(18) . . . . ?
B15 C3 B12 B13 -4.2(2) . . . . ?
B15 C3 B12 B16 -65.8(2) . . . . ?
B15 C3 B19 C4 138.79(16) . . . . ?
B15 C3 B19 B18 41.13(15) . . . . ?
B15 C3 B19 B20 102.96(17) . . . . ?
B15 B11 B12 C3 -32.43(16) . . . . ?
B15 B11 B12 C4 2.0(2) . . . . ?
B15 B11 B12 B13 100.30(17) . . . . ?
B15 B11 B12 B16 62.5(2) . . . . ?
B15 B11 B13 B12 -101.31(18) . . . . ?
B15 B11 B13 B14 38.01(14) . . . . ?
B15 B11 B13 B16 -63.08(19) . . . . ?
B15 B11 B13 B17 0.89(19) . . . . ?
B15 B11 B14 O2 110.43(19) . . . . ?
B15 B11 B14 B13 -137.50(15) . . . . ?
B15 B11 B14 B17 -100.64(15) . . . . ?
B15 B11 B14 B18 -37.56(14) . . . . ?
B15 B14 B17 B7 148.14(18) . . . . ?
B15 B14 B17 B13 -99.66(16) . . . . ?
B15 B14 B17 B16 -62.99(18) . . . . ?
B15 B14 B17 B18 36.64(15) . . . . ?
B15 B14 B17 B20 -0.6(2) . . . . ?
B15 B14 B18 B17 -138.86(15) . . . . ?
B15 B14 B18 B19 -36.90(15) . . . . ?
B15 B14 B18 B20 -100.60(17) . . . . ?
B15 B18 B19 C3 -39.80(15) . . . . ?
B15 B18 B19 C4 -98.20(19) . . . . ?
B15 B18 B19 B20 -137.83(19) . . . . ?
B15 B18 B20 C4 -2.5(2) . . . . ?
B15 B18 B20 B16 -63.57(19) . . . . ?
B15 B18 B20 B17 -101.93(16) . . . . ?
B15 B18 B20 B19 37.58(16) . . . . ?
B15 B19 B20 C4 95.4(2) . . . . ?
B15 B19 B20 B16 63.1(2) . . . . ?
B15 B19 B20 B17 -1.1(3) . . . . ?
B15 B19 B20 B18 -37.97(17) . . . . ?
B16 C4 B12 C3 137.81(16) . . . . ?
B16 C4 B12 B11 102.86(17) . . . . ?
B16 C4 B12 B13 40.52(15) . . . . ?
B16 C4 B19 C3 -102.07(19) . . . . ?
B16 C4 B19 B15 -67.0(2) . . . . ?
B16 C4 B19 B18 -4.4(2) . . . . ?
B16 C4 B19 B20 36.03(18) . . . . ?
B16 C4 B20 B17 -39.78(14) . . . . ?
B16 C4 B20 B18 -102.85(16) . . . . ?
B16 C4 B20 B19 -143.45(16) . . . . ?
B16 B12 B13 B11 137.54(18) . . . . ?
B16 B12 B13 B14 100.75(17) . . . . ?
B16 B12 B13 B17 36.50(15) . . . . ?
B16 B13 B14 O2 -150.66(17) . . . . ?
B16 B13 B14 B11 101.03(17) . . . . ?
B16 B13 B14 B15 63.47(19) . . . . ?
B16 B13 B14 B17 -37.83(14) . . . . ?
B16 B13 B14 B18 0.8(2) . . . . ?
B16 B13 B17 B7 -109.47(18) . . . . ?
B16 B13 B17 B14 137.90(15) . . . . ?
B16 B13 B17 B18 99.41(15) . . . . ?
B16 B13 B17 B20 37.73(15) . . . . ?
B16 B17 B18 B14 99.86(15) . . . . ?
B16 B17 B18 B15 62.76(18) . . . . ?
B16 B17 B18 B19 -0.9(2) . . . . ?
B16 B17 B18 B20 -37.49(15) . . . . ?
B16 B17 B20 C4 38.84(15) . . . . ?
B16 B17 B20 B18 137.33(17) . . . . ?
B16 B17 B20 B19 100.8(2) . . . . ?
B17 B7 B8 B4 112.25(18) . . . . ?
B17 B7 B8 B5 149.54(17) . . . . ?
B17 B7 B8 B9 -146.25(19) . . . . ?
B17 B7 B8 B10 -109.67(19) . . . . ?
B17 B7 B10 C2 -150.87(18) . . . . ?
B17 B7 B10 B6 -111.58(19) . . . . ?
B17 B7 B10 B8 111.0(2) . . . . ?
B17 B7 B10 B9 147.3(2) . . . . ?
B17 B13 B14 O2 -112.83(19) . . . . ?
B17 B13 B14 B11 138.86(15) . . . . ?
B17 B13 B14 B15 101.30(15) . . . . ?
B17 B13 B14 B18 38.64(13) . . . . ?
B17 B13 B16 C4 -99.59(17) . . . . ?
B17 B13 B16 B12 -139.79(16) . . . . ?
B17 B13 B16 B20 -38.60(15) . . . . ?
B17 B14 B15 C3 61.73(19) . . . . ?
B17 B14 B15 B11 100.82(15) . . . . ?
B17 B14 B15 B18 -36.71(14) . . . . ?
B17 B14 B15 B19 0.0(2) . . . . ?
B17 B14 B18 B15 138.86(15) . . . . ?
B17 B14 B18 B19 101.96(17) . . . . ?
B17 B14 B18 B20 38.25(14) . . . . ?
B17 B16 B20 C4 -134.70(16) . . . . ?
B17 B16 B20 B18 -38.54(14) . . . . ?
B17 B16 B20 B19 -102.14(17) . . . . ?
B17 B18 B19 C3 61.4(2) . . . . ?
B17 B18 B19 C4 3.0(2) . . . . ?
B17 B18 B19 B15 101.21(17) . . . . ?
B17 B18 B19 B20 -36.62(16) . . . . ?
B17 B18 B20 C4 99.40(17) . . . . ?
B17 B18 B20 B16 38.37(15) . . . . ?
B17 B18 B20 B19 139.52(18) . . . . ?
B18 B14 B15 C3 98.45(17) . . . . ?
B18 B14 B15 B11 137.54(16) . . . . ?
B18 B14 B15 B19 36.70(17) . . . . ?
B18 B14 B17 B7 111.5(2) . . . . ?
B18 B14 B17 B13 -136.30(15) . . . . ?
B18 B14 B17 B16 -99.63(15) . . . . ?
B18 B14 B17 B20 -37.29(15) . . . . ?
B18 B15 B19 C3 132.88(17) . . . . ?
B18 B15 B19 C4 98.42(17) . . . . ?
B18 B15 B19 B20 37.64(17) . . . . ?
B18 B17 B20 C4 -98.49(18) . . . . ?
B18 B17 B20 B16 -137.33(17) . . . . ?
B18 B17 B20 B19 -36.55(17) . . . . ?
B18 B19 B20 C4 133.34(17) . . . . ?
B18 B19 B20 B16 101.02(17) . . . . ?
B18 B19 B20 B17 36.87(16) . . . . ?
B19 C3 C4 B12 148.17(17) . . . . ?
B19 C3 C4 B16 108.1(2) . . . . ?
B19 C3 C4 B20 39.60(17) . . . . ?
B19 C3 B11 B12 -106.8(2) . . . . ?
B19 C3 B11 B13 -66.2(2) . . . . ?
B19 C3 B11 B14 -3.8(2) . . . . ?
B19 C3 B11 B15 36.44(18) . . . . ?
B19 C3 B12 C4 -30.96(16) . . . . ?
B19 C3 B12 B11 107.70(19) . . . . ?
B19 C3 B12 B13 66.6(2) . . . . ?
B19 C3 B12 B16 5.0(2) . . . . ?
B19 C3 B15 B11 -143.16(17) . . . . ?
B19 C3 B15 B14 -102.90(17) . . . . ?
B19 C3 B15 B18 -40.66(15) . . . . ?
B19 C4 B12 C3 31.19(18) . . . . ?
B19 C4 B12 B11 -3.8(2) . . . . ?
B19 C4 B12 B13 -66.1(2) . . . . ?
B19 C4 B12 B16 -106.6(2) . . . . ?
B19 C4 B16 B12 107.7(2) . . . . ?
B19 C4 B16 B13 67.1(2) . . . . ?
B19 C4 B16 B17 3.8(2) . . . . ?
B19 C4 B16 B20 -35.84(18) . . . . ?
B19 C4 B20 B16 143.45(16) . . . . ?
B19 C4 B20 B17 103.67(17) . . . . ?
B19 C4 B20 B18 40.60(15) . . . . ?
B19 B15 B18 B14 -138.78(17) . . . . ?
B19 B15 B18 B17 -101.59(17) . . . . ?
B19 B15 B18 B20 -37.72(16) . . . . ?
B19 B18 B20 C4 -40.11(16) . . . . ?
B19 B18 B20 B16 -101.2(2) . . . . ?
B19 B18 B20 B17 -139.52(18) . . . . ?
B20 C4 B12 C3 101.8(2) . . . . ?
B20 C4 B12 B11 66.9(2) . . . . ?
B20 C4 B12 B13 4.5(2) . . . . ?
B20 C4 B12 B16 -36.00(17) . . . . ?
B20 C4 B16 B12 143.58(16) . . . . ?
B20 C4 B16 B13 102.96(17) . . . . ?
B20 C4 B16 B17 39.68(15) . . . . ?
B20 C4 B19 C3 -138.10(16) . . . . ?
B20 C4 B19 B15 -102.99(17) . . . . ?
B20 C4 B19 B18 -40.39(15) . . . . ?
B20 B16 B17 B7 -110.48(19) . . . . ?
B20 B16 B17 B13 136.91(16) . . . . ?
B20 B16 B17 B14 99.82(16) . . . . ?
B20 B16 B17 B18 37.26(15) . . . . ?
B20 B17 B18 B14 137.35(17) . . . . ?
B20 B17 B18 B15 100.25(17) . . . . ?
B20 B17 B18 B19 36.57(16) . . . . ?
B20 B18 B19 C3 98.03(19) . . . . ?
B20 B18 B19 C4 39.64(16) . . . . ?
B20 B18 B19 B15 137.83(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.134
_oxdiff_exptl_absorpt_empirical_full_min 0.946
####################################################################### 
# 
# 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_20230315-wy_auto
_database_code_depnum_ccdc_archive 'CCDC 2268197'
loop_
_audit_author_name
_audit_author_address
mayanna
;Zhengzhou University
China
;
_audit_update_record             
;
2023-06-07 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_audit_creation_date             2023-05-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C2 H11 B10'
_chemical_formula_sum            'C2 H11 B10'
_chemical_formula_weight         143.21
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 B1 H1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   6.9432(3)
_cell_length_b                   10.0433(5)
_cell_length_c                   12.6587(6)
_cell_angle_alpha                90
_cell_angle_beta                 97.066(4)
_cell_angle_gamma                90
_cell_volume                     876.02(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3163
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      71.3850
_cell_measurement_theta_min      5.6320
_shelx_estimated_absorpt_T_max   0.997
_shelx_estimated_absorpt_T_min   0.997
_exptl_absorpt_coefficient_mu    0.275
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.086
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             292
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_unetI/netI     0.0463
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5428
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.461
_diffrn_reflns_theta_min         5.640
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -74.00 -49.00   1.00    1.00    --  -35.62 -13.00 159.00   25
  2  ω    -46.00 -21.00   1.00    1.00    --  -35.62  13.00 -28.00   25
  3  ω     35.00  96.00   1.00    1.00    --   35.62  13.00 -28.00   61
  4  ω    -18.00  31.00   1.00    1.00    --   35.62 -13.00 159.00   49
  5  ω     97.00 175.00   1.00    2.74    --  107.12  13.00 -28.00   78
  6  ω     37.00  81.00   1.00    2.74    --  107.12 -13.00 159.00   44
  7  ω    -93.00 -43.00   1.00    1.00    --  -35.62-178.00  30.00   50
  8  ω    -98.00 -38.00   1.00    1.00    --  -35.62 -57.00 -30.00   60
  9  ω    -36.00  64.00   1.00    1.00    --   35.62 -19.00 -30.00  100
 10  ω     14.00  72.00   1.00    1.00    --   35.62 -99.00-120.00   58
 11  ω     10.00  74.00   1.00    1.00    --   35.62 -99.00 -30.00   64
 12  ω     59.00  99.00   1.00    1.00    --   35.62-178.00 -90.00   40
 13  ω     10.00  71.00   1.00    1.00    --   35.62 -99.00  90.00   61
 14  ω     57.00 106.00   1.00    2.74    --  107.12 -95.00 -30.00   49
 15  ω     42.00 124.00   1.00    2.74    --  107.12 -45.00   0.00   82
 16  ω     40.00 125.00   1.00    2.74    --  107.12 -45.00 -90.00   85
 17  ω    104.00 171.00   1.00    2.74    --  107.12  77.00  60.00   67
 18  ω     61.00 109.00   1.00    2.74    --  107.12-111.00 150.00   48
 19  ω     40.00  96.00   1.00    2.74    --  107.12-111.00 -60.00   56
 20  ω     90.00 116.00   1.00    2.74    --  107.12  45.00-150.00   26
 21  ω    105.00 174.00   1.00    2.74    --  107.12  77.00   0.00   69
 22  ω    143.00 168.00   1.00    2.74    --  107.12  45.00-150.00   25
 23  ω     66.00 113.00   1.00    2.74    --  107.12 -77.00   0.00   47
 24  ω     64.00 125.00   1.00    2.74    --  107.12 178.00 -90.00   61
 25  ω     43.00  69.00   1.00    2.74    --  107.12 -95.00-120.00   26
 26  ω    122.00 152.00   1.00    2.74    --  107.12 111.00 -90.00   30
 27  ω     44.00 102.00   1.00    2.74    --  107.12 -95.00-150.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0585594000
_diffrn_orient_matrix_UB_12      -0.1478709000
_diffrn_orient_matrix_UB_13      0.0089101000
_diffrn_orient_matrix_UB_21      0.2155049000
_diffrn_orient_matrix_UB_22      0.0406512000
_diffrn_orient_matrix_UB_23      0.0197179000
_diffrn_orient_matrix_UB_31      -0.0115127000
_diffrn_orient_matrix_UB_32      0.0046323000
_diffrn_orient_matrix_UB_33      0.1206647000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1474
_reflns_number_total             1685
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.279
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1685
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0659
_refine_ls_restrained_S_all      1.084
_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)+(0.1024P)²+0.2531P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1841
_refine_ls_wR_factor_ref         0.1896
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Boron cage BH refined with riding coordinates:
 C4(H4), C5(H5)
;
_atom_sites_solution_hydrogens   mixed
_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
C4 C 0.3437(2) 0.26146(17) 0.30430(13) 0.0276(4) Uani 1 1 d . . . . .
H4 H 0.207238 0.219808 0.260228 0.033 Uiso 1 1 calc R U . . .
C5 C 0.5544(3) 0.20753(19) 0.27987(15) 0.0358(5) Uani 1 1 d . . . . .
H5 H 0.567711 0.128042 0.219138 0.043 Uiso 1 1 calc R U . . .
B2 B 0.5106(2) 0.43859(17) 0.45553(14) 0.0234(4) Uani 1 1 d . . . . .
B3 B 0.3439(3) 0.30283(18) 0.43479(15) 0.0252(4) Uani 1 1 d . . . . .
B1 B 0.3498(3) 0.42520(19) 0.33522(15) 0.0283(5) Uani 1 1 d . . . . .
B8 B 0.5840(3) 0.2720(2) 0.49225(17) 0.0345(5) Uani 1 1 d . . . . .
B7 B 0.4701(3) 0.16054(19) 0.39646(16) 0.0324(5) Uani 1 1 d . . . . .
B12 B 0.5933(4) 0.4726(2) 0.33003(18) 0.0400(6) Uani 1 1 d . . . . .
B11 B 0.4803(4) 0.3622(2) 0.23387(17) 0.0417(6) Uani 1 1 d . . . . .
B9 B 0.7400(3) 0.3772(3) 0.4281(2) 0.0446(7) Uani 1 1 d . . . . .
B6 B 0.7156(3) 0.2071(3) 0.3920(2) 0.0484(7) Uani 1 1 d . . . . .
B10 B 0.7213(4) 0.3315(3) 0.2916(2) 0.0526(8) Uani 1 1 d . . . . .
H1 H 0.215(3) 0.487(2) 0.3100(18) 0.050(7) Uiso 1 1 d . . . . .
H8 H 0.609(4) 0.243(3) 0.574(2) 0.067(8) Uiso 1 1 d . . . . .
H3 H 0.207(4) 0.286(2) 0.4709(18) 0.048(6) Uiso 1 1 d . . . . .
H7 H 0.422(3) 0.060(2) 0.4013(18) 0.049(7) Uiso 1 1 d . . . . .
H11 H 0.437(4) 0.370(3) 0.1496(19) 0.057(7) Uiso 1 1 d . . . . .
H6 H 0.832(4) 0.130(3) 0.395(2) 0.060(7) Uiso 1 1 d . . . . .
H9 H 0.876(3) 0.414(2) 0.4693(19) 0.052(7) Uiso 1 1 d . . . . .
H12 H 0.630(4) 0.576(3) 0.305(2) 0.066(8) Uiso 1 1 d . . . . .
H10 H 0.835(5) 0.326(3) 0.236(2) 0.091(11) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C4 H4 1.1200 . ?
C4 C5 1.625(2) . ?
C4 B3 1.703(2) . ?
C4 B1 1.690(2) . ?
C4 B7 1.705(2) . ?
C4 B11 1.711(3) . ?
C5 H5 1.1200 . ?
C5 B7 1.719(3) . ?
C5 B11 1.715(3) . ?
C5 B6 1.697(3) . ?
C5 B10 1.695(3) . ?
B2 B2 1.689(3) 3_666 ?
B2 B3 1.787(2) . ?
B2 B1 1.779(2) . ?
B2 B8 1.794(3) . ?
B2 B12 1.787(3) . ?
B2 B9 1.782(3) . ?
B3 B1 1.764(3) . ?
B3 B8 1.762(3) . ?
B3 B7 1.775(3) . ?
B3 H3 1.12(2) . ?
B1 B12 1.766(3) . ?
B1 B11 1.776(3) . ?
B1 H1 1.13(2) . ?
B8 B7 1.764(3) . ?
B8 B9 1.780(4) . ?
B8 B6 1.776(3) . ?
B8 H8 1.07(3) . ?
B7 B6 1.775(3) . ?
B7 H7 1.07(2) . ?
B12 B11 1.758(3) . ?
B12 B9 1.784(4) . ?
B12 B10 1.772(3) . ?
B12 H12 1.12(3) . ?
B11 B10 1.768(4) . ?
B11 H11 1.07(2) . ?
B9 B6 1.771(3) . ?
B9 B10 1.777(3) . ?
B9 H9 1.09(2) . ?
B6 B10 1.787(4) . ?
B6 H6 1.11(3) . ?
B10 H10 1.12(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 C4 H4 120.5 . . ?
C5 C4 B3 111.88(13) . . ?
C5 C4 B1 111.80(13) . . ?
C5 C4 B7 62.13(12) . . ?
C5 C4 B11 61.84(13) . . ?
B3 C4 H4 118.3 . . ?
B3 C4 B7 62.76(11) . . ?
B3 C4 B11 115.27(13) . . ?
B1 C4 H4 118.3 . . ?
B1 C4 B3 62.67(10) . . ?
B1 C4 B7 115.10(13) . . ?
B1 C4 B11 62.97(12) . . ?
B7 C4 H4 116.8 . . ?
B7 C4 B11 115.90(15) . . ?
B11 C4 H4 116.8 . . ?
C4 C5 H5 121.4 . . ?
C4 C5 B7 61.22(11) . . ?
C4 C5 B11 61.55(12) . . ?
C4 C5 B6 110.99(14) . . ?
C4 C5 B10 111.12(15) . . ?
B7 C5 H5 117.3 . . ?
B11 C5 H5 117.3 . . ?
B11 C5 B7 114.87(14) . . ?
B6 C5 H5 118.1 . . ?
B6 C5 B7 62.62(14) . . ?
B6 C5 B11 115.19(15) . . ?
B10 C5 H5 118.0 . . ?
B10 C5 B7 115.34(16) . . ?
B10 C5 B11 62.46(15) . . ?
B10 C5 B6 63.58(17) . . ?
B2 B2 B3 123.20(17) 3_666 . ?
B2 B2 B1 121.94(17) 3_666 . ?
B2 B2 B8 123.64(18) 3_666 . ?
B2 B2 B12 121.13(18) 3_666 . ?
B2 B2 B9 122.42(16) 3_666 . ?
B3 B2 B8 58.96(10) . . ?
B3 B2 B12 106.75(12) . . ?
B1 B2 B3 59.31(10) . . ?
B1 B2 B8 106.23(12) . . ?
B1 B2 B12 59.35(12) . . ?
B1 B2 B9 106.79(14) . . ?
B12 B2 B8 107.23(14) . . ?
B9 B2 B3 106.59(13) . . ?
B9 B2 B8 59.69(13) . . ?
B9 B2 B12 59.99(14) . . ?
C4 B3 B2 104.59(13) . . ?
C4 B3 B1 58.29(10) . . ?
C4 B3 B8 104.20(14) . . ?
C4 B3 B7 58.66(10) . . ?
C4 B3 H3 117.3(12) . . ?
B2 B3 H3 128.8(12) . . ?
B1 B3 B2 60.14(10) . . ?
B1 B3 B7 108.07(14) . . ?
B1 B3 H3 119.7(12) . . ?
B8 B3 B2 60.73(11) . . ?
B8 B3 B1 108.29(14) . . ?
B8 B3 B7 59.84(11) . . ?
B8 B3 H3 127.8(12) . . ?
B7 B3 B2 108.80(13) . . ?
B7 B3 H3 117.4(12) . . ?
C4 B1 B2 105.48(12) . . ?
C4 B1 B3 59.04(10) . . ?
C4 B1 B12 104.49(14) . . ?
C4 B1 B11 59.09(11) . . ?
C4 B1 H1 118.1(13) . . ?
B2 B1 H1 127.4(12) . . ?
B3 B1 B2 60.55(10) . . ?
B3 B1 B12 108.69(14) . . ?
B3 B1 B11 109.06(14) . . ?
B3 B1 H1 119.5(12) . . ?
B12 B1 B2 60.56(11) . . ?
B12 B1 B11 59.52(12) . . ?
B12 B1 H1 127.0(12) . . ?
B11 B1 B2 108.84(14) . . ?
B11 B1 H1 117.9(12) . . ?
B2 B8 H8 120.9(15) . . ?
B3 B8 B2 60.31(10) . . ?
B3 B8 B7 60.43(11) . . ?
B3 B8 B9 107.76(15) . . ?
B3 B8 B6 108.27(14) . . ?
B3 B8 H8 118.8(15) . . ?
B7 B8 B2 108.94(13) . . ?
B7 B8 B9 108.04(15) . . ?
B7 B8 B6 60.20(12) . . ?
B7 B8 H8 119.9(15) . . ?
B9 B8 B2 59.81(12) . . ?
B9 B8 H8 124.6(15) . . ?
B6 B8 B2 108.16(17) . . ?
B6 B8 B9 59.74(14) . . ?
B6 B8 H8 123.6(15) . . ?
C4 B7 C5 56.65(11) . . ?
C4 B7 B3 58.57(10) . . ?
C4 B7 B8 104.05(13) . . ?
C4 B7 B6 103.71(16) . . ?
C4 B7 H7 117.7(13) . . ?
C5 B7 B3 104.20(13) . . ?
C5 B7 B8 104.17(15) . . ?
C5 B7 B6 58.06(13) . . ?
C5 B7 H7 116.7(12) . . ?
B3 B7 B6 107.73(14) . . ?
B3 B7 H7 125.4(13) . . ?
B8 B7 B3 59.73(10) . . ?
B8 B7 B6 60.23(12) . . ?
B8 B7 H7 132.6(12) . . ?
B6 B7 H7 123.8(13) . . ?
B2 B12 H12 122.3(14) . . ?
B1 B12 B2 60.10(10) . . ?
B1 B12 B9 107.26(15) . . ?
B1 B12 B10 108.02(14) . . ?
B1 B12 H12 120.8(14) . . ?
B11 B12 B2 109.28(14) . . ?
B11 B12 B1 60.53(13) . . ?
B11 B12 B9 108.12(16) . . ?
B11 B12 B10 60.10(14) . . ?
B11 B12 H12 119.1(14) . . ?
B9 B12 B2 59.84(12) . . ?
B9 B12 H12 124.1(14) . . ?
B10 B12 B2 108.57(17) . . ?
B10 B12 B9 59.97(15) . . ?
B10 B12 H12 121.5(14) . . ?
C4 B11 C5 56.61(11) . . ?
C4 B11 B1 57.94(11) . . ?
C4 B11 B12 103.94(14) . . ?
C4 B11 B10 103.80(17) . . ?
C4 B11 H11 116.9(14) . . ?
C5 B11 B1 103.63(14) . . ?
C5 B11 B12 104.26(17) . . ?
C5 B11 B10 58.19(14) . . ?
C5 B11 H11 115.8(15) . . ?
B1 B11 H11 125.9(14) . . ?
B12 B11 B1 59.95(11) . . ?
B12 B11 B10 60.34(14) . . ?
B12 B11 H11 133.7(14) . . ?
B10 B11 B1 107.75(15) . . ?
B10 B11 H11 123.9(14) . . ?
B2 B9 B12 60.16(12) . . ?
B2 B9 H9 122.3(13) . . ?
B8 B9 B2 60.50(11) . . ?
B8 B9 B12 108.00(14) . . ?
B8 B9 H9 121.7(13) . . ?
B12 B9 H9 122.6(13) . . ?
B6 B9 B2 108.94(15) . . ?
B6 B9 B8 60.03(14) . . ?
B6 B9 B12 108.08(15) . . ?
B6 B9 B10 60.46(15) . . ?
B6 B9 H9 120.1(13) . . ?
B10 B9 B2 108.58(16) . . ?
B10 B9 B8 108.33(15) . . ?
B10 B9 B12 59.67(15) . . ?
B10 B9 H9 120.6(13) . . ?
C5 B6 B8 104.62(14) . . ?
C5 B6 B7 59.32(11) . . ?
C5 B6 B9 104.22(17) . . ?
C5 B6 B10 58.16(14) . . ?
C5 B6 H6 115.5(13) . . ?
B8 B6 B10 108.09(16) . . ?
B8 B6 H6 131.6(13) . . ?
B7 B6 B8 59.57(12) . . ?
B7 B6 B10 108.18(16) . . ?
B7 B6 H6 120.7(14) . . ?
B9 B6 B8 60.24(13) . . ?
B9 B6 B7 107.93(15) . . ?
B9 B6 B10 59.96(15) . . ?
B9 B6 H6 127.9(14) . . ?
B10 B6 H6 115.5(13) . . ?
C5 B10 B12 104.53(16) . . ?
C5 B10 B11 59.35(13) . . ?
C5 B10 B9 104.01(17) . . ?
C5 B10 B6 58.26(13) . . ?
C5 B10 H10 116.0(16) . . ?
B12 B10 B9 60.36(14) . . ?
B12 B10 B6 107.92(16) . . ?
B12 B10 H10 128.7(16) . . ?
B11 B10 B12 59.56(14) . . ?
B11 B10 B9 107.99(15) . . ?
B11 B10 B6 108.27(16) . . ?
B11 B10 H10 116.9(17) . . ?
B9 B10 B6 59.58(15) . . ?
B9 B10 H10 130.4(17) . . ?
B6 B10 H10 119.5(17) . . ?

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 C5 B7 B3 -35.87(12) . . . . ?
C4 C5 B7 B8 -97.67(14) . . . . ?
C4 C5 B7 B6 -138.14(14) . . . . ?
C4 C5 B11 B1 35.51(13) . . . . ?
C4 C5 B11 B12 97.47(15) . . . . ?
C4 C5 B11 B10 138.15(15) . . . . ?
C4 C5 B6 B8 -1.4(2) . . . . ?
C4 C5 B6 B7 38.79(14) . . . . ?
C4 C5 B6 B9 -63.9(2) . . . . ?
C4 C5 B6 B10 -103.91(16) . . . . ?
C4 C5 B10 B12 1.4(2) . . . . ?
C4 C5 B10 B11 -38.96(15) . . . . ?
C4 C5 B10 B9 63.9(2) . . . . ?
C4 C5 B10 B6 103.70(17) . . . . ?
C4 B3 B1 B2 -134.12(13) . . . . ?
C4 B3 B1 B12 -96.03(15) . . . . ?
C4 B3 B1 B11 -32.75(13) . . . . ?
C4 B3 B8 B2 98.98(13) . . . . ?
C4 B3 B8 B7 -39.87(13) . . . . ?
C4 B3 B8 B9 61.20(16) . . . . ?
C4 B3 B8 B6 -1.95(19) . . . . ?
C4 B3 B7 C5 35.00(12) . . . . ?
C4 B3 B7 B8 133.32(15) . . . . ?
C4 B3 B7 B6 95.52(16) . . . . ?
C4 B1 B12 B2 -99.83(13) . . . . ?
C4 B1 B12 B11 39.85(14) . . . . ?
C4 B1 B12 B9 -61.60(16) . . . . ?
C4 B1 B12 B10 1.7(2) . . . . ?
C4 B1 B11 C5 -34.91(12) . . . . ?
C4 B1 B11 B12 -133.69(16) . . . . ?
C4 B1 B11 B10 -95.45(17) . . . . ?
C4 B7 B6 C5 -35.01(12) . . . . ?
C4 B7 B6 B8 98.53(15) . . . . ?
C4 B7 B6 B9 61.2(2) . . . . ?
C4 B7 B6 B10 -2.21(18) . . . . ?
C4 B11 B10 C5 35.00(13) . . . . ?
C4 B11 B10 B12 -98.37(15) . . . . ?
C4 B11 B10 B9 -60.9(2) . . . . ?
C4 B11 B10 B6 2.11(19) . . . . ?
C5 C4 B3 B2 64.02(16) . . . . ?
C5 C4 B3 B1 104.06(15) . . . . ?
C5 C4 B3 B8 1.10(18) . . . . ?
C5 C4 B3 B7 -39.36(14) . . . . ?
C5 C4 B1 B2 -63.75(17) . . . . ?
C5 C4 B1 B3 -104.19(15) . . . . ?
C5 C4 B1 B12 -0.83(18) . . . . ?
C5 C4 B1 B11 39.23(15) . . . . ?
C5 C4 B7 B3 138.27(14) . . . . ?
C5 C4 B7 B8 97.89(15) . . . . ?
C5 C4 B7 B6 35.65(12) . . . . ?
C5 C4 B11 B1 -138.23(14) . . . . ?
C5 C4 B11 B12 -98.07(18) . . . . ?
C5 C4 B11 B10 -35.72(14) . . . . ?
C5 B7 B6 B8 133.54(16) . . . . ?
C5 B7 B6 B9 96.2(2) . . . . ?
C5 B7 B6 B10 32.81(14) . . . . ?
C5 B11 B10 B12 -133.37(16) . . . . ?
C5 B11 B10 B9 -95.9(2) . . . . ?
C5 B11 B10 B6 -32.90(14) . . . . ?
C5 B6 B10 B12 96.32(18) . . . . ?
C5 B6 B10 B11 33.33(14) . . . . ?
C5 B6 B10 B9 133.89(16) . . . . ?
B2 B2 B3 C4 149.42(19) 3_666 . . . ?
B2 B2 B3 B1 110.3(2) 3_666 . . . ?
B2 B2 B3 B8 -112.3(2) 3_666 . . . ?
B2 B2 B3 B7 -149.21(19) 3_666 . . . ?
B2 B2 B1 C4 -152.05(19) 3_666 . . . ?
B2 B2 B1 B3 -112.4(2) 3_666 . . . ?
B2 B2 B1 B12 109.8(2) 3_666 . . . ?
B2 B2 B1 B11 145.90(19) 3_666 . . . ?
B2 B2 B8 B3 111.5(2) 3_666 . . . ?
B2 B2 B8 B7 148.77(19) 3_666 . . . ?
B2 B2 B8 B9 -110.9(2) 3_666 . . . ?
B2 B2 B8 B6 -147.36(19) 3_666 . . . ?
B2 B2 B12 B1 -111.1(2) 3_666 . . . ?
B2 B2 B12 B11 -147.8(2) 3_666 . . . ?
B2 B2 B12 B9 112.0(2) 3_666 . . . ?
B2 B2 B12 B10 148.31(19) 3_666 . . . ?
B2 B2 B9 B8 112.9(2) 3_666 . . . ?
B2 B2 B9 B12 -109.9(2) 3_666 . . . ?
B2 B2 B9 B6 149.6(2) 3_666 . . . ?
B2 B2 B9 B10 -146.1(2) 3_666 . . . ?
B2 B3 B1 C4 134.12(13) . . . . ?
B2 B3 B1 B12 38.10(12) . . . . ?
B2 B3 B1 B11 101.38(15) . . . . ?
B2 B3 B8 B7 -138.85(15) . . . . ?
B2 B3 B8 B9 -37.78(13) . . . . ?
B2 B3 B8 B6 -100.94(17) . . . . ?
B2 B3 B7 C4 -95.99(14) . . . . ?
B2 B3 B7 C5 -60.99(16) . . . . ?
B2 B3 B7 B8 37.33(14) . . . . ?
B2 B3 B7 B6 -0.47(19) . . . . ?
B2 B1 B12 B11 139.68(16) . . . . ?
B2 B1 B12 B9 38.23(13) . . . . ?
B2 B1 B12 B10 101.49(19) . . . . ?
B2 B1 B11 C4 97.15(14) . . . . ?
B2 B1 B11 C5 62.24(17) . . . . ?
B2 B1 B11 B12 -36.54(15) . . . . ?
B2 B1 B11 B10 1.7(2) . . . . ?
B2 B8 B7 C4 2.61(19) . . . . ?
B2 B8 B7 C5 61.18(18) . . . . ?
B2 B8 B7 B3 -37.19(13) . . . . ?
B2 B8 B7 B6 100.56(18) . . . . ?
B2 B8 B9 B12 -38.29(13) . . . . ?
B2 B8 B9 B6 -139.20(15) . . . . ?
B2 B8 B9 B10 -101.44(18) . . . . ?
B2 B8 B6 C5 -61.77(19) . . . . ?
B2 B8 B6 B7 -101.88(14) . . . . ?
B2 B8 B6 B9 36.47(14) . . . . ?
B2 B8 B6 B10 -1.00(19) . . . . ?
B2 B12 B11 C4 -2.7(2) . . . . ?
B2 B12 B11 C5 -61.2(2) . . . . ?
B2 B12 B11 B1 36.46(14) . . . . ?
B2 B12 B11 B10 -100.84(19) . . . . ?
B2 B12 B9 B8 38.44(13) . . . . ?
B2 B12 B9 B6 101.92(17) . . . . ?
B2 B12 B9 B10 139.57(15) . . . . ?
B2 B12 B10 C5 61.8(2) . . . . ?
B2 B12 B10 B11 102.04(16) . . . . ?
B2 B12 B10 B9 -36.26(14) . . . . ?
B2 B12 B10 B6 1.0(2) . . . . ?
B2 B9 B6 C5 62.0(2) . . . . ?
B2 B9 B6 B8 -36.96(15) . . . . ?
B2 B9 B6 B7 0.1(2) . . . . ?
B2 B9 B6 B10 101.12(19) . . . . ?
B2 B9 B10 C5 -62.5(2) . . . . ?
B2 B9 B10 B12 36.40(15) . . . . ?
B2 B9 B10 B11 -0.7(2) . . . . ?
B2 B9 B10 B6 -101.72(18) . . . . ?
B3 C4 C5 B7 39.63(13) . . . . ?
B3 C4 C5 B11 -107.87(15) . . . . ?
B3 C4 C5 B6 0.2(2) . . . . ?
B3 C4 C5 B10 -68.5(2) . . . . ?
B3 C4 B1 B2 40.44(12) . . . . ?
B3 C4 B1 B12 103.36(14) . . . . ?
B3 C4 B1 B11 143.42(15) . . . . ?
B3 C4 B7 C5 -138.27(14) . . . . ?
B3 C4 B7 B8 -40.37(13) . . . . ?
B3 C4 B7 B6 -102.61(14) . . . . ?
B3 C4 B11 C5 102.40(15) . . . . ?
B3 C4 B11 B1 -35.83(15) . . . . ?
B3 C4 B11 B12 4.3(2) . . . . ?
B3 C4 B11 B10 66.68(19) . . . . ?
B3 B2 B1 C4 -39.70(12) . . . . ?
B3 B2 B1 B12 -137.85(14) . . . . ?
B3 B2 B1 B11 -101.75(15) . . . . ?
B3 B2 B8 B7 37.24(14) . . . . ?
B3 B2 B8 B9 137.55(14) . . . . ?
B3 B2 B8 B6 101.11(14) . . . . ?
B3 B2 B12 B1 37.06(13) . . . . ?
B3 B2 B12 B11 0.4(2) . . . . ?
B3 B2 B12 B9 -99.82(14) . . . . ?
B3 B2 B12 B10 -63.50(18) . . . . ?
B3 B2 B9 B8 -37.11(13) . . . . ?
B3 B2 B9 B12 100.09(14) . . . . ?
B3 B2 B9 B6 -0.4(2) . . . . ?
B3 B2 B9 B10 63.9(2) . . . . ?
B3 B1 B12 B2 -38.09(12) . . . . ?
B3 B1 B12 B11 101.59(16) . . . . ?
B3 B1 B12 B9 0.14(18) . . . . ?
B3 B1 B12 B10 63.4(2) . . . . ?
B3 B1 B11 C4 32.73(13) . . . . ?
B3 B1 B11 C5 -2.19(19) . . . . ?
B3 B1 B11 B12 -100.96(16) . . . . ?
B3 B1 B11 B10 -62.73(19) . . . . ?
B3 B8 B7 C4 39.79(13) . . . . ?
B3 B8 B7 C5 98.37(14) . . . . ?
B3 B8 B7 B6 137.74(17) . . . . ?
B3 B8 B9 B2 38.00(12) . . . . ?
B3 B8 B9 B12 -0.28(18) . . . . ?
B3 B8 B9 B6 -101.19(15) . . . . ?
B3 B8 B9 B10 -63.4(2) . . . . ?
B3 B8 B6 C5 2.1(2) . . . . ?
B3 B8 B6 B7 -38.02(15) . . . . ?
B3 B8 B6 B9 100.33(16) . . . . ?
B3 B8 B6 B10 62.86(19) . . . . ?
B3 B7 B6 C5 -95.97(15) . . . . ?
B3 B7 B6 B8 37.57(15) . . . . ?
B3 B7 B6 B9 0.2(2) . . . . ?
B3 B7 B6 B10 -63.16(18) . . . . ?
B1 C4 C5 B7 107.77(14) . . . . ?
B1 C4 C5 B11 -39.72(14) . . . . ?
B1 C4 C5 B6 68.37(19) . . . . ?
B1 C4 C5 B10 -0.4(2) . . . . ?
B1 C4 B3 B2 -40.04(12) . . . . ?
B1 C4 B3 B8 -102.95(14) . . . . ?
B1 C4 B3 B7 -143.41(15) . . . . ?
B1 C4 B7 C5 -102.49(15) . . . . ?
B1 C4 B7 B3 35.78(14) . . . . ?
B1 C4 B7 B8 -4.6(2) . . . . ?
B1 C4 B7 B6 -66.83(18) . . . . ?
B1 C4 B11 C5 138.23(14) . . . . ?
B1 C4 B11 B12 40.16(15) . . . . ?
B1 C4 B11 B10 102.51(15) . . . . ?
B1 B2 B3 C4 39.13(12) . . . . ?
B1 B2 B3 B8 137.45(15) . . . . ?
B1 B2 B3 B7 100.50(15) . . . . ?
B1 B2 B8 B3 -37.28(13) . . . . ?
B1 B2 B8 B7 0.0(2) . . . . ?
B1 B2 B8 B9 100.27(15) . . . . ?
B1 B2 B8 B6 63.83(17) . . . . ?
B1 B2 B12 B11 -36.64(16) . . . . ?
B1 B2 B12 B9 -136.88(14) . . . . ?
B1 B2 B12 B10 -100.57(16) . . . . ?
B1 B2 B9 B8 -99.31(14) . . . . ?
B1 B2 B9 B12 37.89(13) . . . . ?
B1 B2 B9 B6 -62.6(2) . . . . ?
B1 B2 B9 B10 1.7(2) . . . . ?
B1 B3 B8 B2 38.15(13) . . . . ?
B1 B3 B8 B7 -100.70(15) . . . . ?
B1 B3 B8 B9 0.37(18) . . . . ?
B1 B3 B8 B6 -62.79(18) . . . . ?
B1 B3 B7 C4 -32.23(12) . . . . ?
B1 B3 B7 C5 2.76(17) . . . . ?
B1 B3 B7 B8 101.08(15) . . . . ?
B1 B3 B7 B6 63.29(18) . . . . ?
B1 B12 B11 C4 -39.16(14) . . . . ?
B1 B12 B11 C5 -97.69(16) . . . . ?
B1 B12 B11 B10 -137.29(18) . . . . ?
B1 B12 B9 B2 -38.35(13) . . . . ?
B1 B12 B9 B8 0.09(18) . . . . ?
B1 B12 B9 B6 63.57(19) . . . . ?
B1 B12 B9 B10 101.22(16) . . . . ?
B1 B12 B10 C5 -1.9(2) . . . . ?
B1 B12 B10 B11 38.39(16) . . . . ?
B1 B12 B10 B9 -99.92(16) . . . . ?
B1 B12 B10 B6 -62.7(2) . . . . ?
B1 B11 B10 C5 95.31(16) . . . . ?
B1 B11 B10 B12 -38.06(15) . . . . ?
B1 B11 B10 B9 -0.6(2) . . . . ?
B1 B11 B10 B6 62.42(19) . . . . ?
B8 B2 B3 C4 -98.32(14) . . . . ?
B8 B2 B3 B1 -137.45(15) . . . . ?
B8 B2 B3 B7 -36.94(13) . . . . ?
B8 B2 B1 C4 -2.58(18) . . . . ?
B8 B2 B1 B3 37.12(13) . . . . ?
B8 B2 B1 B12 -100.73(15) . . . . ?
B8 B2 B1 B11 -64.63(17) . . . . ?
B8 B2 B12 B1 99.00(14) . . . . ?
B8 B2 B12 B11 62.4(2) . . . . ?
B8 B2 B12 B9 -37.88(13) . . . . ?
B8 B2 B12 B10 -1.57(19) . . . . ?
B8 B2 B9 B12 137.21(14) . . . . ?
B8 B2 B9 B6 36.76(16) . . . . ?
B8 B2 B9 B10 101.01(18) . . . . ?
B8 B3 B1 C4 95.71(14) . . . . ?
B8 B3 B1 B2 -38.41(12) . . . . ?
B8 B3 B1 B12 -0.32(18) . . . . ?
B8 B3 B1 B11 62.96(17) . . . . ?
B8 B3 B7 C4 -133.32(15) . . . . ?
B8 B3 B7 C5 -98.32(15) . . . . ?
B8 B3 B7 B6 -37.79(16) . . . . ?
B8 B7 B6 C5 -133.54(16) . . . . ?
B8 B7 B6 B9 -37.32(16) . . . . ?
B8 B7 B6 B10 -100.73(16) . . . . ?
B8 B9 B6 C5 98.92(16) . . . . ?
B8 B9 B6 B7 37.03(15) . . . . ?
B8 B9 B6 B10 138.08(16) . . . . ?
B8 B9 B10 C5 1.6(2) . . . . ?
B8 B9 B10 B12 100.56(16) . . . . ?
B8 B9 B10 B11 63.5(2) . . . . ?
B8 B9 B10 B6 -37.57(16) . . . . ?
B8 B6 B10 C5 -96.29(15) . . . . ?
B8 B6 B10 B12 0.0(2) . . . . ?
B8 B6 B10 B11 -62.97(19) . . . . ?
B8 B6 B10 B9 37.60(14) . . . . ?
B7 C4 C5 B11 -147.50(14) . . . . ?
B7 C4 C5 B6 -39.40(15) . . . . ?
B7 C4 C5 B10 -108.14(18) . . . . ?
B7 C4 B3 B2 103.38(14) . . . . ?
B7 C4 B3 B1 143.41(15) . . . . ?
B7 C4 B3 B8 40.46(13) . . . . ?
B7 C4 B1 B2 4.62(19) . . . . ?
B7 C4 B1 B3 -35.82(15) . . . . ?
B7 C4 B1 B12 67.54(18) . . . . ?
B7 C4 B1 B11 107.61(17) . . . . ?
B7 C4 B11 C5 31.88(14) . . . . ?
B7 C4 B11 B1 -106.36(15) . . . . ?
B7 C4 B11 B12 -66.2(2) . . . . ?
B7 C4 B11 B10 -3.8(2) . . . . ?
B7 C5 B11 C4 -31.27(14) . . . . ?
B7 C5 B11 B1 4.2(2) . . . . ?
B7 C5 B11 B12 66.20(19) . . . . ?
B7 C5 B11 B10 106.88(17) . . . . ?
B7 C5 B6 B8 -40.23(15) . . . . ?
B7 C5 B6 B9 -102.64(17) . . . . ?
B7 C5 B6 B10 -142.70(15) . . . . ?
B7 C5 B10 B12 -65.8(2) . . . . ?
B7 C5 B10 B11 -106.13(17) . . . . ?
B7 C5 B10 B9 -3.3(2) . . . . ?
B7 C5 B10 B6 36.54(16) . . . . ?
B7 B3 B1 C4 32.38(12) . . . . ?
B7 B3 B1 B2 -101.75(14) . . . . ?
B7 B3 B1 B12 -63.65(16) . . . . ?
B7 B3 B1 B11 -0.37(18) . . . . ?
B7 B3 B8 B2 138.85(15) . . . . ?
B7 B3 B8 B9 101.07(15) . . . . ?
B7 B3 B8 B6 37.91(16) . . . . ?
B7 B8 B9 B2 101.86(14) . . . . ?
B7 B8 B9 B12 63.57(17) . . . . ?
B7 B8 B9 B6 -37.34(14) . . . . ?
B7 B8 B9 B10 0.4(2) . . . . ?
B7 B8 B6 C5 40.11(14) . . . . ?
B7 B8 B6 B9 138.35(16) . . . . ?
B7 B8 B6 B10 100.88(17) . . . . ?
B7 B6 B10 C5 -33.27(13) . . . . ?
B7 B6 B10 B12 63.06(19) . . . . ?
B7 B6 B10 B11 0.1(2) . . . . ?
B7 B6 B10 B9 100.63(16) . . . . ?
B12 B2 B3 C4 2.05(17) . . . . ?
B12 B2 B3 B1 -37.08(14) . . . . ?
B12 B2 B3 B8 100.36(15) . . . . ?
B12 B2 B3 B7 63.42(17) . . . . ?
B12 B2 B1 C4 98.15(15) . . . . ?
B12 B2 B1 B3 137.85(14) . . . . ?
B12 B2 B1 B11 36.10(14) . . . . ?
B12 B2 B8 B3 -99.53(14) . . . . ?
B12 B2 B8 B7 -62.29(18) . . . . ?
B12 B2 B8 B9 38.02(14) . . . . ?
B12 B2 B8 B6 1.58(18) . . . . ?
B12 B2 B9 B8 -137.21(14) . . . . ?
B12 B2 B9 B6 -100.44(18) . . . . ?
B12 B2 B9 B10 -36.20(16) . . . . ?
B12 B1 B11 C4 133.69(16) . . . . ?
B12 B1 B11 C5 98.77(17) . . . . ?
B12 B1 B11 B10 38.23(17) . . . . ?
B12 B11 B10 C5 133.37(16) . . . . ?
B12 B11 B10 B9 37.43(16) . . . . ?
B12 B11 B10 B6 100.47(17) . . . . ?
B12 B9 B6 C5 -1.9(2) . . . . ?
B12 B9 B6 B8 -100.77(16) . . . . ?
B12 B9 B6 B7 -63.7(2) . . . . ?
B12 B9 B6 B10 37.31(16) . . . . ?
B12 B9 B10 C5 -98.95(18) . . . . ?
B12 B9 B10 B11 -37.08(16) . . . . ?
B12 B9 B10 B6 -138.13(16) . . . . ?
B11 C4 C5 B7 147.50(14) . . . . ?
B11 C4 C5 B6 108.10(17) . . . . ?
B11 C4 C5 B10 39.36(17) . . . . ?
B11 C4 B3 B2 -4.09(19) . . . . ?
B11 C4 B3 B1 35.94(15) . . . . ?
B11 C4 B3 B8 -67.01(18) . . . . ?
B11 C4 B3 B7 -107.47(17) . . . . ?
B11 C4 B1 B2 -102.99(15) . . . . ?
B11 C4 B1 B3 -143.42(15) . . . . ?
B11 C4 B1 B12 -40.07(14) . . . . ?
B11 C4 B7 C5 -31.78(14) . . . . ?
B11 C4 B7 B3 106.49(15) . . . . ?
B11 C4 B7 B8 66.12(18) . . . . ?
B11 C4 B7 B6 3.88(18) . . . . ?
B11 C5 B7 C4 31.38(14) . . . . ?
B11 C5 B7 B3 -4.49(19) . . . . ?
B11 C5 B7 B8 -66.29(18) . . . . ?
B11 C5 B7 B6 -106.76(17) . . . . ?
B11 C5 B6 B8 66.0(2) . . . . ?
B11 C5 B6 B7 106.24(17) . . . . ?
B11 C5 B6 B9 3.6(2) . . . . ?
B11 C5 B6 B10 -36.46(17) . . . . ?
B11 C5 B10 B12 40.35(16) . . . . ?
B11 C5 B10 B9 102.84(18) . . . . ?
B11 C5 B10 B6 142.67(16) . . . . ?
B11 B1 B12 B2 -139.68(16) . . . . ?
B11 B1 B12 B9 -101.45(17) . . . . ?
B11 B1 B12 B10 -38.20(17) . . . . ?
B11 B12 B9 B2 -102.22(15) . . . . ?
B11 B12 B9 B8 -63.78(18) . . . . ?
B11 B12 B9 B6 -0.3(2) . . . . ?
B11 B12 B9 B10 37.35(15) . . . . ?
B11 B12 B10 C5 -40.24(16) . . . . ?
B11 B12 B10 B9 -138.31(16) . . . . ?
B11 B12 B10 B6 -101.08(17) . . . . ?
B9 B2 B3 C4 -60.87(16) . . . . ?
B9 B2 B3 B1 -100.00(16) . . . . ?
B9 B2 B3 B8 37.45(14) . . . . ?
B9 B2 B3 B7 0.50(18) . . . . ?
B9 B2 B1 C4 59.96(18) . . . . ?
B9 B2 B1 B3 99.66(15) . . . . ?
B9 B2 B1 B12 -38.19(15) . . . . ?
B9 B2 B1 B11 -2.09(19) . . . . ?
B9 B2 B8 B3 -137.55(14) . . . . ?
B9 B2 B8 B7 -100.31(17) . . . . ?
B9 B2 B8 B6 -36.44(14) . . . . ?
B9 B2 B12 B1 136.88(14) . . . . ?
B9 B2 B12 B11 100.24(18) . . . . ?
B9 B2 B12 B10 36.32(15) . . . . ?
B9 B8 B7 C4 -60.82(18) . . . . ?
B9 B8 B7 C5 -2.24(18) . . . . ?
B9 B8 B7 B3 -100.61(15) . . . . ?
B9 B8 B7 B6 37.13(16) . . . . ?
B9 B8 B6 C5 -98.24(19) . . . . ?
B9 B8 B6 B7 -138.35(16) . . . . ?
B9 B8 B6 B10 -37.48(15) . . . . ?
B9 B12 B11 C4 60.8(2) . . . . ?
B9 B12 B11 C5 2.3(2) . . . . ?
B9 B12 B11 B1 100.00(16) . . . . ?
B9 B12 B11 B10 -37.29(16) . . . . ?
B9 B12 B10 C5 98.1(2) . . . . ?
B9 B12 B10 B11 138.31(16) . . . . ?
B9 B12 B10 B6 37.23(16) . . . . ?
B9 B6 B10 C5 -133.89(16) . . . . ?
B9 B6 B10 B12 -37.57(15) . . . . ?
B9 B6 B10 B11 -100.57(16) . . . . ?
B6 C5 B7 C4 138.14(14) . . . . ?
B6 C5 B7 B3 102.27(14) . . . . ?
B6 C5 B7 B8 40.46(14) . . . . ?
B6 C5 B11 C4 -101.27(17) . . . . ?
B6 C5 B11 B1 -65.8(2) . . . . ?
B6 C5 B11 B12 -3.8(2) . . . . ?
B6 C5 B11 B10 36.88(17) . . . . ?
B6 C5 B10 B12 -102.32(19) . . . . ?
B6 C5 B10 B11 -142.67(16) . . . . ?
B6 C5 B10 B9 -39.83(16) . . . . ?
B6 B8 B7 C4 -97.95(17) . . . . ?
B6 B8 B7 C5 -39.38(15) . . . . ?
B6 B8 B7 B3 -137.74(17) . . . . ?
B6 B8 B9 B2 139.20(15) . . . . ?
B6 B8 B9 B12 100.91(16) . . . . ?
B6 B8 B9 B10 37.76(17) . . . . ?
B6 B9 B10 C5 39.17(16) . . . . ?
B6 B9 B10 B12 138.13(16) . . . . ?
B6 B9 B10 B11 101.05(18) . . . . ?
B10 C5 B7 C4 101.23(18) . . . . ?
B10 C5 B7 B3 65.4(2) . . . . ?
B10 C5 B7 B8 3.6(2) . . . . ?
B10 C5 B7 B6 -36.91(18) . . . . ?
B10 C5 B11 C4 -138.15(15) . . . . ?
B10 C5 B11 B1 -102.64(16) . . . . ?
B10 C5 B11 B12 -40.68(15) . . . . ?
B10 C5 B6 B8 102.46(18) . . . . ?
B10 C5 B6 B7 142.70(15) . . . . ?
B10 C5 B6 B9 40.06(16) . . . . ?
B10 B12 B11 C4 98.14(18) . . . . ?
B10 B12 B11 C5 39.60(16) . . . . ?
B10 B12 B11 B1 137.29(18) . . . . ?
B10 B12 B9 B2 -139.57(15) . . . . ?
B10 B12 B9 B8 -101.13(16) . . . . ?
B10 B12 B9 B6 -37.65(16) . . . . ?
B10 B9 B6 C5 -39.16(16) . . . . ?
B10 B9 B6 B8 -138.08(16) . . . . ?
B10 B9 B6 B7 -101.05(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.446
_oxdiff_exptl_absorpt_empirical_full_min 0.528
####################################################################### 
# 
# 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_20230498_auto_tw
_database_code_depnum_ccdc_archive 'CCDC 2268201'
loop_
_audit_author_name
_audit_author_address
mayanna
;Zhengzhou University
China
;
_audit_update_record             
;
2023-09-11 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_audit_creation_date             2023-04-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C10 H17 B10)'
_chemical_formula_sum            'C20 H34 B20'
_chemical_formula_weight         490.67
_chemical_melting_point          ?
_chemical_oxdiff_formula         C20H20N2O4B10
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   20.2379(7)
_cell_length_b                   7.7225(2)
_cell_length_c                   18.3961(6)
_cell_angle_alpha                90
_cell_angle_beta                 96.014(3)
_cell_angle_gamma                90
_cell_volume                     2859.23(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3597
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.0790
_cell_measurement_theta_min      4.3570
_shelx_estimated_absorpt_T_max   0.971
_shelx_estimated_absorpt_T_min   0.943
_exptl_absorpt_coefficient_mu    0.371
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88355
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5083
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.060
_diffrn_reflns_theta_max         67.060
_diffrn_reflns_theta_min         4.394
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -106.00   4.00   0.50    3.00    --  -33.50 -19.00  90.00  220
  2  ω   -108.00 -35.00   0.50    3.00    --  -33.50 178.00-150.00  146
  3  ω   -106.00 -73.00   0.50    3.00    --  -33.50 178.00 -30.00   66
  4  ω     54.00  95.00   0.50    3.00    --   36.47-134.00-111.00   82
  5  ω     26.00  54.00   0.50    3.00    --   36.47 -57.00 -60.00   56
  6  ω     44.00 109.00   0.50   19.00    --  108.00-111.00  30.00  130
  7  ω     57.00 107.00   0.50   19.00    --  108.00-111.00 -60.00  100
  8  ω     66.00 109.00   0.50   19.00    --  108.00 178.00   0.00   86
  9  ω    103.00 177.00   0.50   19.00    --  108.00  77.00 150.00  148
 10  ω     48.00 102.00   0.50   19.00    --  108.00 -94.00  60.00  108
 11  ω    115.00 177.00   0.50   19.00    --  108.00  77.00   0.00  124
 12  ω     90.00 143.00   0.50   19.00    --  108.00  61.00  90.00  106
 13  ω    108.00 172.00   0.50   19.00    --  108.00 111.00-150.00  128
 14  ω     57.00  83.00   0.50   19.00    --  108.00 -94.00-120.00   52
 15  ω    101.00 168.00   0.50   19.00    --  108.00  77.00 -60.00  134
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0151748000
_diffrn_orient_matrix_UB_12      -0.1955147000
_diffrn_orient_matrix_UB_13      0.0033143000
_diffrn_orient_matrix_UB_21      -0.0750261000
_diffrn_orient_matrix_UB_22      -0.0395313000
_diffrn_orient_matrix_UB_23      -0.0086302000
_diffrn_orient_matrix_UB_31      0.0002352000
_diffrn_orient_matrix_UB_32      -0.0036490000
_diffrn_orient_matrix_UB_33      -0.0836913000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4003
_reflns_number_total             5083
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.382
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5083
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1137
_refine_ls_R_factor_gt           0.0988
_refine_ls_restrained_S_all      1.066
_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)+(0.1819P)²+1.4317P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2969
_refine_ls_wR_factor_ref         0.3124
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.560(6)
 0.440(6)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
3.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C3'(H3'A,H3'B), C4'(H4'A,H4'B)
3.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C7'(H7'), C8'(H8'), C9'(H9'), C10'(H10')
3.c Boron cage BH refined with riding coordinates:
 B1(H1), B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7A), B8(H8A), B9(H9A),
 B1'(H1'), B2'(H2'), B3'(H3'), B4'(H4'), B5'(H5'), B6'(H6'), B7'(H7'A),
 B8'(H8'A), B9'(H9'A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
C1 C 0.91254(16) 0.2461(4) 0.36260(18) 0.0376(7) Uani 1 1 d . . . . .
C2 C 0.85084(17) 0.3786(4) 0.33819(19) 0.0391(7) Uani 1 1 d . . . . .
C3 C 0.79959(18) 0.3171(5) 0.2775(2) 0.0503(9) Uani 1 1 d . . . . .
H3A H 0.7630 0.2638 0.2994 0.060 Uiso 1 1 calc R . . . .
H3B H 0.7821 0.4171 0.2499 0.060 Uiso 1 1 calc R . . . .
C4 C 0.9117(2) 0.0725(5) 0.3239(2) 0.0518(10) Uani 1 1 d . . . . .
H4A H 0.9571 0.0340 0.3222 0.062 Uiso 1 1 calc R . . . .
H4B H 0.8897 -0.0115 0.3523 0.062 Uiso 1 1 calc R . . . .
C5 C 0.87700(19) 0.0753(5) 0.2467(2) 0.0459(8) Uani 1 1 d . . . . .
C6 C 0.82569(19) 0.1895(5) 0.2254(2) 0.0499(9) Uani 1 1 d . . . . .
C7 C 0.7972(3) 0.1891(7) 0.1530(3) 0.0671(12) Uani 1 1 d . . . . .
H7 H 0.7634 0.2669 0.1382 0.080 Uiso 1 1 calc R . . . .
C8 C 0.8188(3) 0.0737(8) 0.1033(3) 0.0783(15) Uani 1 1 d . . . . .
H8 H 0.7998 0.0747 0.0550 0.094 Uiso 1 1 calc R . . . .
C9 C 0.8688(3) -0.0434(7) 0.1249(3) 0.0722(14) Uani 1 1 d . . . . .
H9 H 0.8829 -0.1224 0.0916 0.087 Uiso 1 1 calc R . . . .
C10 C 0.8974(2) -0.0416(6) 0.1964(2) 0.0550(10) Uani 1 1 d . . . . .
H10 H 0.9310 -0.1202 0.2111 0.066 Uiso 1 1 calc R . . . .
B1 B 0.92812(19) 0.4286(5) 0.3129(2) 0.0384(8) Uani 1 1 d . . . . .
H1 H 0.9412 0.4277 0.2564 0.046 Uiso 1 1 calc R . . . .
B2 B 0.8759(2) 0.5896(5) 0.3451(2) 0.0424(9) Uani 1 1 d . . . . .
H2 H 0.8550 0.6945 0.3093 0.051 Uiso 1 1 calc R . . . .
B3 B 0.8298(2) 0.4941(6) 0.4111(2) 0.0480(9) Uani 1 1 d . . . . .
H3 H 0.7789 0.5372 0.4179 0.058 Uiso 1 1 calc R . . . .
B4 B 0.8530(2) 0.2750(5) 0.4212(2) 0.0450(9) Uani 1 1 d . . . . .
H4 H 0.8174 0.1751 0.4344 0.054 Uiso 1 1 calc R . . . .
B5 B 0.98435(18) 0.3582(5) 0.3875(2) 0.0374(8) Uani 1 1 d . . . . .
H5 H 1.0343 0.3115 0.3790 0.045 Uiso 1 1 calc R . . . .
B6 B 0.9621(2) 0.5804(5) 0.3786(2) 0.0414(9) Uani 1 1 d . . . . .
H6 H 0.9976 0.6803 0.3651 0.050 Uiso 1 1 calc R . . . .
B7 B 0.9012(2) 0.6211(5) 0.4397(2) 0.0459(9) Uani 1 1 d . . . . .
H7A H 0.8971 0.7482 0.4658 0.055 Uiso 1 1 calc R . . . .
B8 B 0.8871(2) 0.4259(6) 0.4864(2) 0.0452(9) Uani 1 1 d . . . . .
H8A H 0.8739 0.4260 0.5429 0.054 Uiso 1 1 calc R . . . .
B9 B 0.9384(2) 0.2631(5) 0.4540(2) 0.0392(8) Uani 1 1 d . . . . .
H9A H 0.9586 0.1551 0.4885 0.047 Uiso 1 1 calc R . . . .
B10 B 0.9688(2) 0.4777(5) 0.46680(19) 0.0383(8) Uani 1 1 d . . . . .
C1' C 0.40652(18) 0.2345(4) 0.6184(2) 0.0427(8) Uani 1 1 d . . . . .
C2' C 0.34881(17) 0.0911(4) 0.6286(2) 0.0407(8) Uani 1 1 d . . . . .
C3' C 0.2959(2) 0.1424(5) 0.6778(2) 0.0530(10) Uani 1 1 d . . . . .
H3'A H 0.2584 0.1918 0.6477 0.064 Uiso 1 1 calc R . . . .
H3'B H 0.2805 0.0388 0.7006 0.064 Uiso 1 1 calc R . . . .
C4' C 0.4006(3) 0.4059(5) 0.6571(3) 0.0628(12) Uani 1 1 d . . . . .
H4'A H 0.3751 0.4851 0.6241 0.075 Uiso 1 1 calc R . . . .
H4'B H 0.4446 0.4546 0.6682 0.075 Uiso 1 1 calc R . . . .
C5' C 0.3677(2) 0.3932(5) 0.7274(2) 0.0539(10) Uani 1 1 d . . . . .
C6' C 0.3190(2) 0.2697(5) 0.7364(2) 0.0520(9) Uani 1 1 d . . . . .
C7' C 0.2909(3) 0.2621(7) 0.8025(2) 0.0665(13) Uani 1 1 d . . . . .
H7' H 0.2590 0.1784 0.8091 0.080 Uiso 1 1 calc R . . . .
C8' C 0.3098(3) 0.3775(8) 0.8583(3) 0.0800(16) Uani 1 1 d . . . . .
H8' H 0.2904 0.3720 0.9019 0.096 Uiso 1 1 calc R . . . .
C9' C 0.3573(3) 0.5008(8) 0.8490(3) 0.0814(17) Uani 1 1 d . . . . .
H9' H 0.3701 0.5789 0.8863 0.098 Uiso 1 1 calc R . . . .
C10' C 0.3863(3) 0.5086(6) 0.7841(3) 0.0667(12) Uani 1 1 d . . . . .
H10' H 0.4185 0.5919 0.7783 0.080 Uiso 1 1 calc R . . . .
B1' B 0.4279(2) 0.0548(5) 0.6713(2) 0.0423(9) Uani 1 1 d . . . . .
H1' H 0.4415 0.0569 0.7308 0.051 Uiso 1 1 calc R . . . .
B2' B 0.3799(2) -0.1138(5) 0.6272(2) 0.0447(9) Uani 1 1 d . . . . .
H2' H 0.3621 -0.2227 0.6584 0.054 Uiso 1 1 calc R . . . .
B3' B 0.3312(2) -0.0262(6) 0.5503(2) 0.0480(10) Uani 1 1 d . . . . .
H3' H 0.2818 -0.0788 0.5318 0.058 Uiso 1 1 calc R . . . .
B4' B 0.3475(2) 0.1963(6) 0.5453(2) 0.0479(10) Uani 1 1 d . . . . .
H4' H 0.3091 0.2893 0.5238 0.057 Uiso 1 1 calc R . . . .
B5' B 0.48164(18) 0.1369(5) 0.6096(2) 0.0402(8) Uani 1 1 d . . . . .
H5' H 0.5303 0.1923 0.6294 0.048 Uiso 1 1 calc R . . . .
B6' B 0.4649(2) -0.0891(5) 0.6129(2) 0.0427(9) Uani 1 1 d . . . . .
H6' H 0.5029 -0.1833 0.6342 0.051 Uiso 1 1 calc R . . . .
B7' B 0.4049(2) -0.1390(5) 0.5381(2) 0.0449(9) Uani 1 1 d . . . . .
H7'A H 0.4039 -0.2661 0.5110 0.054 Uiso 1 1 calc R . . . .
B8' B 0.3855(2) 0.0534(6) 0.4882(2) 0.0462(9) Uani 1 1 d . . . . .
H8'A H 0.3721 0.0518 0.4287 0.055 Uiso 1 1 calc R . . . .
B9' B 0.4321(2) 0.2246(5) 0.5326(2) 0.0423(9) Uani 1 1 d . . . . .
H9'A H 0.4489 0.3373 0.5029 0.051 Uiso 1 1 calc R . . . .
B10' B 0.46908(17) 0.0168(5) 0.5262(2) 0.0364(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.640(4) . ?
C1 C4 1.518(5) . ?
C1 B1 1.726(5) . ?
C1 B4 1.714(5) . ?
C1 B5 1.712(5) . ?
C1 B9 1.713(5) . ?
C2 C3 1.518(5) . ?
C2 B1 1.721(5) . ?
C2 B2 1.707(5) . ?
C2 B3 1.703(5) . ?
C2 B4 1.720(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C6 1.508(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.517(5) . ?
C5 C6 1.387(6) . ?
C5 C10 1.386(5) . ?
C6 C7 1.394(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.382(7) . ?
C8 H8 0.9300 . ?
C8 C9 1.382(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.382(7) . ?
C10 H10 0.9300 . ?
B1 H1 1.1000 . ?
B1 B2 1.773(5) . ?
B1 B5 1.773(5) . ?
B1 B6 1.770(5) . ?
B2 H2 1.1000 . ?
B2 B3 1.770(6) . ?
B2 B6 1.790(6) . ?
B2 B7 1.778(6) . ?
B3 H3 1.1000 . ?
B3 B4 1.760(6) . ?
B3 B7 1.780(6) . ?
B3 B8 1.790(6) . ?
B4 H4 1.1000 . ?
B4 B8 1.761(6) . ?
B4 B9 1.773(6) . ?
B5 H5 1.1000 . ?
B5 B6 1.778(5) . ?
B5 B9 1.772(5) . ?
B5 B10 1.782(5) . ?
B6 H6 1.1000 . ?
B6 B7 1.781(6) . ?
B6 B10 1.798(5) . ?
B7 H7A 1.1000 . ?
B7 B8 1.773(6) . ?
B7 B10 1.790(6) . ?
B8 H8A 1.1000 . ?
B8 B9 1.773(5) . ?
B8 B10 1.774(5) . ?
B9 H9A 1.1000 . ?
B9 B10 1.775(5) . ?
B10 B10 1.698(7) 3_766 ?
C1' C2' 1.635(5) . ?
C1' C4' 1.514(5) . ?
C1' B1' 1.724(5) . ?
C1' B4' 1.728(6) . ?
C1' B5' 1.719(5) . ?
C1' B9' 1.713(5) . ?
C2' C3' 1.524(5) . ?
C2' B1' 1.730(5) . ?
C2' B2' 1.704(5) . ?
C2' B3' 1.707(6) . ?
C2' B4' 1.732(5) . ?
C3' H3'A 0.9700 . ?
C3' H3'B 0.9700 . ?
C3' C6' 1.498(6) . ?
C4' H4'A 0.9700 . ?
C4' H4'B 0.9700 . ?
C4' C5' 1.520(6) . ?
C5' C6' 1.393(6) . ?
C5' C10' 1.393(6) . ?
C6' C7' 1.397(6) . ?
C7' H7' 0.9300 . ?
C7' C8' 1.383(8) . ?
C8' H8' 0.9300 . ?
C8' C9' 1.377(9) . ?
C9' H9' 0.9300 . ?
C9' C10' 1.385(8) . ?
C10' H10' 0.9300 . ?
B1' H1' 1.1000 . ?
B1' B2' 1.770(6) . ?
B1' B5' 1.770(5) . ?
B1' B6' 1.766(5) . ?
B2' H2' 1.1000 . ?
B2' B3' 1.771(6) . ?
B2' B6' 1.778(6) . ?
B2' B7' 1.776(6) . ?
B3' H3' 1.1000 . ?
B3' B4' 1.754(6) . ?
B3' B7' 1.761(6) . ?
B3' B8' 1.775(6) . ?
B4' H4' 1.1000 . ?
B4' B8' 1.756(6) . ?
B4' B9' 1.767(6) . ?
B5' H5' 1.1000 . ?
B5' B6' 1.780(6) . ?
B5' B9' 1.781(6) . ?
B5' B10' 1.789(5) . ?
B6' H6' 1.1000 . ?
B6' B7' 1.779(6) . ?
B6' B10' 1.802(5) . ?
B7' H7'A 1.1000 . ?
B7' B8' 1.769(6) . ?
B7' B10' 1.800(5) . ?
B8' H8'A 1.1000 . ?
B8' B9' 1.774(6) . ?
B8' B10' 1.784(5) . ?
B9' H9'A 1.1000 . ?
B9' B10' 1.779(5) . ?
B10' B10' 1.678(7) 3_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 B1 61.4(2) . . ?
C2 C1 B4 61.7(2) . . ?
C2 C1 B5 111.0(3) . . ?
C2 C1 B9 111.5(3) . . ?
C4 C1 C2 116.8(3) . . ?
C4 C1 B1 117.8(3) . . ?
C4 C1 B4 115.8(3) . . ?
C4 C1 B5 122.7(3) . . ?
C4 C1 B9 121.1(3) . . ?
B4 C1 B1 114.0(3) . . ?
B5 C1 B1 62.1(2) . . ?
B5 C1 B4 113.5(3) . . ?
B5 C1 B9 62.3(2) . . ?
B9 C1 B1 113.8(3) . . ?
B9 C1 B4 62.3(2) . . ?
C1 C2 B1 61.8(2) . . ?
C1 C2 B2 111.3(3) . . ?
C1 C2 B3 110.9(3) . . ?
C1 C2 B4 61.3(2) . . ?
C3 C2 C1 116.6(3) . . ?
C3 C2 B1 116.2(3) . . ?
C3 C2 B2 121.9(3) . . ?
C3 C2 B3 122.3(3) . . ?
C3 C2 B4 117.3(3) . . ?
B2 C2 B1 62.3(2) . . ?
B2 C2 B4 113.5(3) . . ?
B3 C2 B1 113.9(3) . . ?
B3 C2 B2 62.5(2) . . ?
B3 C2 B4 61.9(2) . . ?
B4 C2 B1 113.9(3) . . ?
C2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C6 C3 C2 114.4(3) . . ?
C6 C3 H3A 108.7 . . ?
C6 C3 H3B 108.7 . . ?
C1 C4 H4A 108.7 . . ?
C1 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C5 C4 C1 114.1(3) . . ?
C5 C4 H4A 108.7 . . ?
C5 C4 H4B 108.7 . . ?
C6 C5 C4 122.2(3) . . ?
C10 C5 C4 118.3(4) . . ?
C10 C5 C6 119.5(4) . . ?
C5 C6 C3 122.5(4) . . ?
C5 C6 C7 119.4(4) . . ?
C7 C6 C3 118.1(4) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 C6 120.4(5) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.3(5) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 120.4 . . ?
C10 C9 C8 119.2(4) . . ?
C10 C9 H9 120.4 . . ?
C5 C10 H10 119.4 . . ?
C9 C10 C5 121.2(4) . . ?
C9 C10 H10 119.4 . . ?
C1 B1 H1 124.8 . . ?
C1 B1 B2 104.3(3) . . ?
C1 B1 B5 58.6(2) . . ?
C1 B1 B6 105.0(3) . . ?
C2 B1 C1 56.81(19) . . ?
C2 B1 H1 124.7 . . ?
C2 B1 B2 58.5(2) . . ?
C2 B1 B5 104.5(3) . . ?
C2 B1 B6 105.3(3) . . ?
B2 B1 H1 122.0 . . ?
B2 B1 B5 108.3(3) . . ?
B5 B1 H1 122.1 . . ?
B6 B1 H1 122.4 . . ?
B6 B1 B2 60.7(2) . . ?
B6 B1 B5 60.2(2) . . ?
C2 B2 B1 59.3(2) . . ?
C2 B2 H2 124.5 . . ?
C2 B2 B3 58.6(2) . . ?
C2 B2 B6 105.0(3) . . ?
C2 B2 B7 104.8(3) . . ?
B1 B2 H2 121.5 . . ?
B1 B2 B6 59.6(2) . . ?
B1 B2 B7 107.6(3) . . ?
B3 B2 B1 108.2(3) . . ?
B3 B2 H2 121.3 . . ?
B3 B2 B6 108.2(3) . . ?
B3 B2 B7 60.2(2) . . ?
B6 B2 H2 122.4 . . ?
B7 B2 H2 122.5 . . ?
B7 B2 B6 59.9(2) . . ?
C2 B3 B2 58.9(2) . . ?
C2 B3 H3 124.2 . . ?
C2 B3 B4 59.5(2) . . ?
C2 B3 B7 105.0(3) . . ?
C2 B3 B8 105.1(3) . . ?
B2 B3 H3 121.2 . . ?
B2 B3 B7 60.1(2) . . ?
B2 B3 B8 107.9(3) . . ?
B4 B3 B2 108.5(3) . . ?
B4 B3 H3 121.4 . . ?
B4 B3 B7 107.4(3) . . ?
B4 B3 B8 59.5(2) . . ?
B7 B3 H3 122.7 . . ?
B7 B3 B8 59.6(2) . . ?
B8 B3 H3 122.7 . . ?
C1 B4 C2 57.06(19) . . ?
C1 B4 B3 104.9(3) . . ?
C1 B4 H4 124.6 . . ?
C1 B4 B8 105.3(3) . . ?
C1 B4 B9 58.8(2) . . ?
C2 B4 B3 58.6(2) . . ?
C2 B4 H4 124.5 . . ?
C2 B4 B8 105.6(3) . . ?
C2 B4 B9 105.0(3) . . ?
B3 B4 H4 121.6 . . ?
B3 B4 B8 61.1(2) . . ?
B3 B4 B9 109.0(3) . . ?
B8 B4 H4 122.2 . . ?
B8 B4 B9 60.2(2) . . ?
B9 B4 H4 121.7 . . ?
C1 B5 B1 59.4(2) . . ?
C1 B5 H5 124.3 . . ?
C1 B5 B6 105.3(3) . . ?
C1 B5 B9 58.9(2) . . ?
C1 B5 B10 105.2(2) . . ?
B1 B5 H5 121.1 . . ?
B1 B5 B6 59.8(2) . . ?
B1 B5 B10 108.7(3) . . ?
B6 B5 H5 122.1 . . ?
B6 B5 B10 60.7(2) . . ?
B9 B5 B1 108.7(3) . . ?
B9 B5 H5 121.3 . . ?
B9 B5 B6 108.5(3) . . ?
B9 B5 B10 59.9(2) . . ?
B10 B5 H5 122.0 . . ?
B1 B6 B2 59.7(2) . . ?
B1 B6 B5 60.0(2) . . ?
B1 B6 H6 121.8 . . ?
B1 B6 B7 107.6(3) . . ?
B1 B6 B10 108.1(3) . . ?
B2 B6 H6 122.0 . . ?
B2 B6 B10 107.9(3) . . ?
B5 B6 B2 107.3(3) . . ?
B5 B6 H6 122.2 . . ?
B5 B6 B7 107.3(3) . . ?
B5 B6 B10 59.8(2) . . ?
B7 B6 B2 59.8(2) . . ?
B7 B6 H6 122.1 . . ?
B7 B6 B10 60.0(2) . . ?
B10 B6 H6 121.6 . . ?
B2 B7 B3 59.7(2) . . ?
B2 B7 B6 60.4(2) . . ?
B2 B7 H7A 121.5 . . ?
B2 B7 B10 108.7(3) . . ?
B3 B7 B6 108.2(3) . . ?
B3 B7 H7A 121.6 . . ?
B3 B7 B10 108.4(3) . . ?
B6 B7 H7A 121.4 . . ?
B6 B7 B10 60.5(2) . . ?
B8 B7 B2 108.3(3) . . ?
B8 B7 B3 60.5(3) . . ?
B8 B7 B6 108.2(3) . . ?
B8 B7 H7A 121.6 . . ?
B8 B7 B10 59.7(2) . . ?
B10 B7 H7A 121.4 . . ?
B3 B8 H8A 121.9 . . ?
B4 B8 B3 59.4(2) . . ?
B4 B8 B7 107.7(3) . . ?
B4 B8 H8A 121.8 . . ?
B4 B8 B9 60.2(2) . . ?
B4 B8 B10 108.5(3) . . ?
B7 B8 B3 59.9(2) . . ?
B7 B8 H8A 121.7 . . ?
B7 B8 B10 60.6(2) . . ?
B9 B8 B3 107.7(3) . . ?
B9 B8 B7 108.1(3) . . ?
B9 B8 H8A 121.8 . . ?
B9 B8 B10 60.1(2) . . ?
B10 B8 B3 108.6(3) . . ?
B10 B8 H8A 121.1 . . ?
C1 B9 B4 58.9(2) . . ?
C1 B9 B5 58.8(2) . . ?
C1 B9 B8 104.8(3) . . ?
C1 B9 H9A 124.4 . . ?
C1 B9 B10 105.5(2) . . ?
B4 B9 H9A 121.7 . . ?
B4 B9 B10 108.0(3) . . ?
B5 B9 B4 107.9(3) . . ?
B5 B9 B8 107.8(3) . . ?
B5 B9 H9A 121.5 . . ?
B5 B9 B10 60.3(2) . . ?
B8 B9 B4 59.6(2) . . ?
B8 B9 H9A 122.6 . . ?
B8 B9 B10 60.0(2) . . ?
B10 B9 H9A 122.0 . . ?
B5 B10 B6 59.5(2) . . ?
B5 B10 B7 106.7(3) . . ?
B7 B10 B6 59.5(2) . . ?
B8 B10 B5 107.3(3) . . ?
B8 B10 B6 107.4(3) . . ?
B8 B10 B7 59.7(2) . . ?
B8 B10 B9 59.9(2) . . ?
B9 B10 B5 59.8(2) . . ?
B9 B10 B6 107.5(3) . . ?
B9 B10 B7 107.2(3) . . ?
B10 B10 B5 120.8(4) 3_766 . ?
B10 B10 B6 122.7(4) 3_766 . ?
B10 B10 B7 124.4(4) 3_766 . ?
B10 B10 B8 122.6(4) 3_766 . ?
B10 B10 B9 120.4(4) 3_766 . ?
C2' C1' B1' 61.9(2) . . ?
C2' C1' B4' 61.9(2) . . ?
C2' C1' B5' 111.3(3) . . ?
C2' C1' B9' 111.4(3) . . ?
C4' C1' C2' 116.4(3) . . ?
C4' C1' B1' 117.7(3) . . ?
C4' C1' B4' 115.6(3) . . ?
C4' C1' B5' 122.8(3) . . ?
C4' C1' B9' 121.3(3) . . ?
B1' C1' B4' 114.5(3) . . ?
B5' C1' B1' 61.9(2) . . ?
B5' C1' B4' 113.5(3) . . ?
B9' C1' B1' 113.7(3) . . ?
B9' C1' B4' 61.8(2) . . ?
B9' C1' B5' 62.5(2) . . ?
C1' C2' B1' 61.6(2) . . ?
C1' C2' B2' 111.0(3) . . ?
C1' C2' B3' 110.5(3) . . ?
C1' C2' B4' 61.7(2) . . ?
C3' C2' C1' 116.5(3) . . ?
C3' C2' B1' 116.5(3) . . ?
C3' C2' B2' 122.3(3) . . ?
C3' C2' B3' 122.8(3) . . ?
C3' C2' B4' 117.1(3) . . ?
B1' C2' B4' 113.9(3) . . ?
B2' C2' B1' 62.0(2) . . ?
B2' C2' B3' 62.6(2) . . ?
B2' C2' B4' 113.2(3) . . ?
B3' C2' B1' 113.5(3) . . ?
B3' C2' B4' 61.3(3) . . ?
C2' C3' H3'A 108.7 . . ?
C2' C3' H3'B 108.7 . . ?
H3'A C3' H3'B 107.6 . . ?
C6' C3' C2' 114.4(3) . . ?
C6' C3' H3'A 108.7 . . ?
C6' C3' H3'B 108.7 . . ?
C1' C4' H4'A 108.7 . . ?
C1' C4' H4'B 108.7 . . ?
C1' C4' C5' 114.1(3) . . ?
H4'A C4' H4'B 107.6 . . ?
C5' C4' H4'A 108.7 . . ?
C5' C4' H4'B 108.7 . . ?
C6' C5' C4' 121.6(4) . . ?
C6' C5' C10' 119.2(4) . . ?
C10' C5' C4' 119.2(4) . . ?
C5' C6' C3' 122.3(4) . . ?
C5' C6' C7' 119.3(4) . . ?
C7' C6' C3' 118.3(4) . . ?
C6' C7' H7' 119.6 . . ?
C8' C7' C6' 120.9(5) . . ?
C8' C7' H7' 119.6 . . ?
C7' C8' H8' 120.2 . . ?
C9' C8' C7' 119.7(5) . . ?
C9' C8' H8' 120.2 . . ?
C8' C9' H9' 120.0 . . ?
C8' C9' C10' 120.1(5) . . ?
C10' C9' H9' 120.0 . . ?
C5' C10' H10' 119.6 . . ?
C9' C10' C5' 120.8(5) . . ?
C9' C10' H10' 119.6 . . ?
C1' B1' C2' 56.5(2) . . ?
C1' B1' H1' 124.9 . . ?
C1' B1' B2' 103.9(3) . . ?
C1' B1' B5' 58.9(2) . . ?
C1' B1' B6' 105.1(3) . . ?
C2' B1' H1' 124.9 . . ?
C2' B1' B2' 58.2(2) . . ?
C2' B1' B5' 104.6(3) . . ?
C2' B1' B6' 104.9(3) . . ?
B2' B1' H1' 122.4 . . ?
B5' B1' H1' 121.8 . . ?
B5' B1' B2' 108.3(3) . . ?
B6' B1' H1' 122.5 . . ?
B6' B1' B2' 60.4(2) . . ?
B6' B1' B5' 60.4(2) . . ?
C2' B2' B1' 59.7(2) . . ?
C2' B2' H2' 124.1 . . ?
C2' B2' B3' 58.8(2) . . ?
C2' B2' B6' 105.5(3) . . ?
C2' B2' B7' 104.9(3) . . ?
B1' B2' H2' 121.1 . . ?
B1' B2' B3' 108.6(3) . . ?
B1' B2' B6' 59.7(2) . . ?
B1' B2' B7' 107.9(3) . . ?
B3' B2' H2' 121.6 . . ?
B3' B2' B6' 107.9(3) . . ?
B3' B2' B7' 59.6(2) . . ?
B6' B2' H2' 122.3 . . ?
B7' B2' H2' 122.6 . . ?
B7' B2' B6' 60.1(2) . . ?
C2' B3' B2' 58.6(2) . . ?
C2' B3' H3' 124.0 . . ?
C2' B3' B4' 60.0(2) . . ?
C2' B3' B7' 105.4(3) . . ?
C2' B3' B8' 105.7(3) . . ?
B2' B3' H3' 121.2 . . ?
B2' B3' B8' 108.5(3) . . ?
B4' B3' B2' 108.9(3) . . ?
B4' B3' H3' 121.0 . . ?
B4' B3' B7' 108.2(3) . . ?
B4' B3' B8' 59.7(2) . . ?
B7' B3' B2' 60.4(2) . . ?
B7' B3' H3' 122.2 . . ?
B7' B3' B8' 60.0(2) . . ?
B8' B3' H3' 122.2 . . ?
C1' B4' C2' 56.4(2) . . ?
C1' B4' B3' 104.2(3) . . ?
C1' B4' H4' 125.0 . . ?
C1' B4' B8' 105.2(3) . . ?
C1' B4' B9' 58.7(2) . . ?
C2' B4' B3' 58.7(2) . . ?
C2' B4' H4' 124.7 . . ?
C2' B4' B8' 105.5(3) . . ?
C2' B4' B9' 104.4(3) . . ?
B3' B4' H4' 122.0 . . ?
B3' B4' B8' 60.7(2) . . ?
B3' B4' B9' 108.5(3) . . ?
B8' B4' H4' 122.1 . . ?
B8' B4' B9' 60.5(2) . . ?
B9' B4' H4' 121.9 . . ?
C1' B5' B1' 59.2(2) . . ?
C1' B5' H5' 124.6 . . ?
C1' B5' B6' 104.7(3) . . ?
C1' B5' B9' 58.6(2) . . ?
C1' B5' B10' 105.1(3) . . ?
B1' B5' H5' 121.1 . . ?
B1' B5' B6' 59.7(2) . . ?
B1' B5' B9' 108.3(3) . . ?
B1' B5' B10' 108.8(3) . . ?
B6' B5' H5' 122.4 . . ?
B6' B5' B9' 107.9(3) . . ?
B6' B5' B10' 60.7(2) . . ?
B9' B5' H5' 121.7 . . ?
B9' B5' B10' 59.8(2) . . ?
B10' B5' H5' 121.8 . . ?
B1' B6' B2' 59.9(2) . . ?
B1' B6' B5' 59.9(2) . . ?
B1' B6' H6' 121.6 . . ?
B1' B6' B7' 108.0(3) . . ?
B1' B6' B10' 108.4(3) . . ?
B2' B6' B5' 107.5(3) . . ?
B2' B6' H6' 121.8 . . ?
B2' B6' B7' 59.9(2) . . ?
B2' B6' B10' 108.4(3) . . ?
B5' B6' H6' 122.2 . . ?
B5' B6' B10' 59.9(2) . . ?
B7' B6' B5' 107.6(3) . . ?
B7' B6' H6' 121.8 . . ?
B7' B6' B10' 60.3(2) . . ?
B10' B6' H6' 121.3 . . ?
B2' B7' B6' 60.0(2) . . ?
B2' B7' H7'A 121.5 . . ?
B2' B7' B10' 108.6(3) . . ?
B3' B7' B2' 60.1(2) . . ?
B3' B7' B6' 108.2(3) . . ?
B3' B7' H7'A 121.5 . . ?
B3' B7' B8' 60.4(2) . . ?
B3' B7' B10' 108.4(3) . . ?
B6' B7' H7'A 121.5 . . ?
B6' B7' B10' 60.5(2) . . ?
B8' B7' B2' 108.5(3) . . ?
B8' B7' B6' 108.4(3) . . ?
B8' B7' H7'A 121.4 . . ?
B8' B7' B10' 60.0(2) . . ?
B10' B7' H7'A 121.4 . . ?
B3' B8' H8'A 122.1 . . ?
B3' B8' B10' 108.6(3) . . ?
B4' B8' B3' 59.6(2) . . ?
B4' B8' B7' 107.8(3) . . ?
B4' B8' H8'A 121.7 . . ?
B4' B8' B9' 60.1(2) . . ?
B4' B8' B10' 108.8(3) . . ?
B7' B8' B3' 59.6(2) . . ?
B7' B8' H8'A 121.7 . . ?
B7' B8' B9' 107.9(3) . . ?
B7' B8' B10' 60.9(2) . . ?
B9' B8' B3' 107.3(3) . . ?
B9' B8' H8'A 122.1 . . ?
B9' B8' B10' 60.0(2) . . ?
B10' B8' H8'A 120.9 . . ?
C1' B9' B4' 59.5(2) . . ?
C1' B9' B5' 58.9(2) . . ?
C1' B9' B8' 105.1(3) . . ?
C1' B9' H9'A 124.1 . . ?
C1' B9' B10' 105.8(3) . . ?
B4' B9' B5' 108.7(3) . . ?
B4' B9' B8' 59.5(2) . . ?
B4' B9' H9'A 121.2 . . ?
B4' B9' B10' 108.5(3) . . ?
B5' B9' H9'A 121.2 . . ?
B8' B9' B5' 108.1(3) . . ?
B8' B9' H9'A 122.6 . . ?
B8' B9' B10' 60.3(2) . . ?
B10' B9' B5' 60.3(2) . . ?
B10' B9' H9'A 121.8 . . ?
B5' B10' B6' 59.4(2) . . ?
B5' B10' B7' 106.3(3) . . ?
B7' B10' B6' 59.2(2) . . ?
B8' B10' B5' 107.3(3) . . ?
B8' B10' B6' 106.7(3) . . ?
B8' B10' B7' 59.1(2) . . ?
B9' B10' B5' 59.9(2) . . ?
B9' B10' B6' 106.9(3) . . ?
B9' B10' B7' 106.3(3) . . ?
B9' B10' B8' 59.7(2) . . ?
B10' B10' B5' 121.7(3) 3_656 . ?
B10' B10' B6' 123.0(3) 3_656 . ?
B10' B10' B7' 123.9(4) 3_656 . ?
B10' B10' B8' 122.2(4) 3_656 . ?
B10' B10' B9' 121.5(4) 3_656 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C6 -26.9(5) . . . . ?
C1 C2 B1 B2 -138.4(3) . . . . ?
C1 C2 B1 B5 -35.6(2) . . . . ?
C1 C2 B1 B6 -98.2(3) . . . . ?
C1 C2 B2 B1 38.8(3) . . . . ?
C1 C2 B2 B3 -103.3(3) . . . . ?
C1 C2 B2 B6 -0.9(4) . . . . ?
C1 C2 B2 B7 -63.1(3) . . . . ?
C1 C2 B3 B2 103.8(3) . . . . ?
C1 C2 B3 B4 -38.0(3) . . . . ?
C1 C2 B3 B7 63.6(4) . . . . ?
C1 C2 B3 B8 1.7(4) . . . . ?
C1 C2 B4 B3 139.0(3) . . . . ?
C1 C2 B4 B8 98.3(3) . . . . ?
C1 C2 B4 B9 35.6(2) . . . . ?
C1 C4 C5 C6 -29.1(6) . . . . ?
C1 C4 C5 C10 151.4(4) . . . . ?
C1 B1 B2 C2 -35.0(2) . . . . ?
C1 B1 B2 B3 -1.5(4) . . . . ?
C1 B1 B2 B6 99.4(3) . . . . ?
C1 B1 B2 B7 62.2(3) . . . . ?
C1 B1 B5 B6 -134.4(3) . . . . ?
C1 B1 B5 B9 -33.4(2) . . . . ?
C1 B1 B5 B10 -97.0(3) . . . . ?
C1 B1 B6 B2 -98.3(3) . . . . ?
C1 B1 B6 B5 39.1(2) . . . . ?
C1 B1 B6 B7 -61.1(3) . . . . ?
C1 B1 B6 B10 2.3(3) . . . . ?
C1 B4 B8 B3 98.8(3) . . . . ?
C1 B4 B8 B7 61.9(4) . . . . ?
C1 B4 B8 B9 -39.3(3) . . . . ?
C1 B4 B8 B10 -2.3(4) . . . . ?
C1 B4 B9 B5 33.9(2) . . . . ?
C1 B4 B9 B8 134.5(3) . . . . ?
C1 B4 B9 B10 97.6(3) . . . . ?
C1 B5 B6 B1 -39.6(2) . . . . ?
C1 B5 B6 B2 -1.8(3) . . . . ?
C1 B5 B6 B7 61.1(3) . . . . ?
C1 B5 B6 B10 99.1(3) . . . . ?
C1 B5 B9 B4 -33.9(2) . . . . ?
C1 B5 B9 B8 -96.8(3) . . . . ?
C1 B5 B9 B10 -134.8(3) . . . . ?
C1 B5 B10 B6 -99.2(3) . . . . ?
C1 B5 B10 B7 -61.5(3) . . . . ?
C1 B5 B10 B8 1.2(3) . . . . ?
C1 B5 B10 B9 39.0(2) . . . . ?
C1 B5 B10 B10 148.5(4) . . . 3_766 ?
C1 B9 B10 B5 -39.0(2) . . . . ?
C1 B9 B10 B6 -2.0(4) . . . . ?
C1 B9 B10 B7 60.6(3) . . . . ?
C1 B9 B10 B8 98.4(3) . . . . ?
C1 B9 B10 B10 -149.2(4) . . . 3_766 ?
C2 C1 C4 C5 28.8(5) . . . . ?
C2 C1 B1 B2 35.7(2) . . . . ?
C2 C1 B1 B5 138.6(3) . . . . ?
C2 C1 B1 B6 98.7(3) . . . . ?
C2 C1 B4 B3 -35.4(3) . . . . ?
C2 C1 B4 B8 -98.9(3) . . . . ?
C2 C1 B4 B9 -138.9(3) . . . . ?
C2 C1 B5 B1 -38.5(3) . . . . ?
C2 C1 B5 B6 1.4(3) . . . . ?
C2 C1 B5 B9 104.0(3) . . . . ?
C2 C1 B5 B10 64.5(3) . . . . ?
C2 C1 B9 B4 38.5(3) . . . . ?
C2 C1 B9 B5 -103.2(3) . . . . ?
C2 C1 B9 B8 -1.0(4) . . . . ?
C2 C1 B9 B10 -63.4(3) . . . . ?
C2 C3 C6 C5 30.0(6) . . . . ?
C2 C3 C6 C7 -149.3(4) . . . . ?
C2 B1 B2 B3 33.5(3) . . . . ?
C2 B1 B2 B6 134.3(3) . . . . ?
C2 B1 B2 B7 97.1(3) . . . . ?
C2 B1 B5 C1 34.9(2) . . . . ?
C2 B1 B5 B6 -99.5(3) . . . . ?
C2 B1 B5 B9 1.4(3) . . . . ?
C2 B1 B5 B10 -62.2(3) . . . . ?
C2 B1 B6 B2 -39.2(2) . . . . ?
C2 B1 B6 B5 98.2(3) . . . . ?
C2 B1 B6 B7 -2.1(3) . . . . ?
C2 B1 B6 B10 61.3(3) . . . . ?
C2 B2 B3 B4 34.2(3) . . . . ?
C2 B2 B3 B7 134.0(3) . . . . ?
C2 B2 B3 B8 97.1(3) . . . . ?
C2 B2 B6 B1 39.5(2) . . . . ?
C2 B2 B6 B5 1.7(3) . . . . ?
C2 B2 B6 B7 -98.7(3) . . . . ?
C2 B2 B6 B10 -61.4(3) . . . . ?
C2 B2 B7 B3 -39.4(3) . . . . ?
C2 B2 B7 B6 99.0(3) . . . . ?
C2 B2 B7 B8 -2.0(4) . . . . ?
C2 B2 B7 B10 61.3(4) . . . . ?
C2 B3 B4 C1 34.7(3) . . . . ?
C2 B3 B4 B8 134.2(3) . . . . ?
C2 B3 B4 B9 96.4(3) . . . . ?
C2 B3 B7 B2 39.6(3) . . . . ?
C2 B3 B7 B6 2.2(4) . . . . ?
C2 B3 B7 B8 -98.9(3) . . . . ?
C2 B3 B7 B10 -61.8(4) . . . . ?
C2 B3 B8 B4 -39.8(3) . . . . ?
C2 B3 B8 B7 98.7(3) . . . . ?
C2 B3 B8 B9 -2.3(4) . . . . ?
C2 B3 B8 B10 61.2(4) . . . . ?
C2 B4 B8 B3 39.4(3) . . . . ?
C2 B4 B8 B7 2.5(4) . . . . ?
C2 B4 B8 B9 -98.7(3) . . . . ?
C2 B4 B8 B10 -61.7(4) . . . . ?
C2 B4 B9 C1 -34.9(2) . . . . ?
C2 B4 B9 B5 -1.0(4) . . . . ?
C2 B4 B9 B8 99.6(3) . . . . ?
C2 B4 B9 B10 62.8(3) . . . . ?
C3 C2 B1 C1 -107.6(3) . . . . ?
C3 C2 B1 B2 113.9(3) . . . . ?
C3 C2 B1 B5 -143.3(3) . . . . ?
C3 C2 B1 B6 154.2(3) . . . . ?
C3 C2 B2 B1 -105.1(3) . . . . ?
C3 C2 B2 B3 112.7(4) . . . . ?
C3 C2 B2 B6 -144.8(3) . . . . ?
C3 C2 B2 B7 153.0(3) . . . . ?
C3 C2 B3 B2 -112.0(4) . . . . ?
C3 C2 B3 B4 106.1(4) . . . . ?
C3 C2 B3 B7 -152.2(3) . . . . ?
C3 C2 B3 B8 145.9(3) . . . . ?
C3 C2 B4 C1 107.0(3) . . . . ?
C3 C2 B4 B3 -114.0(3) . . . . ?
C3 C2 B4 B8 -154.7(3) . . . . ?
C3 C2 B4 B9 142.6(3) . . . . ?
C3 C6 C7 C8 -179.4(4) . . . . ?
C4 C1 C2 C3 -1.7(5) . . . . ?
C4 C1 C2 B1 -108.7(3) . . . . ?
C4 C1 C2 B2 -147.7(3) . . . . ?
C4 C1 C2 B3 144.7(3) . . . . ?
C4 C1 C2 B4 106.4(4) . . . . ?
C4 C1 B1 C2 107.1(3) . . . . ?
C4 C1 B1 B2 142.8(3) . . . . ?
C4 C1 B1 B5 -114.3(3) . . . . ?
C4 C1 B1 B6 -154.3(3) . . . . ?
C4 C1 B4 C2 -108.0(3) . . . . ?
C4 C1 B4 B3 -143.4(3) . . . . ?
C4 C1 B4 B8 153.1(3) . . . . ?
C4 C1 B4 B9 113.1(3) . . . . ?
C4 C1 B5 B1 106.7(4) . . . . ?
C4 C1 B5 B6 146.5(3) . . . . ?
C4 C1 B5 B9 -110.8(4) . . . . ?
C4 C1 B5 B10 -150.3(3) . . . . ?
C4 C1 B9 B4 -105.0(4) . . . . ?
C4 C1 B9 B5 113.3(4) . . . . ?
C4 C1 B9 B8 -144.5(3) . . . . ?
C4 C1 B9 B10 153.1(3) . . . . ?
C4 C5 C6 C3 -1.2(6) . . . . ?
C4 C5 C6 C7 178.1(4) . . . . ?
C4 C5 C10 C9 -178.7(4) . . . . ?
C5 C6 C7 C8 1.3(7) . . . . ?
C6 C5 C10 C9 1.7(6) . . . . ?
C6 C7 C8 C9 0.4(8) . . . . ?
C7 C8 C9 C10 -1.1(8) . . . . ?
C8 C9 C10 C5 0.0(7) . . . . ?
C10 C5 C6 C3 178.4(4) . . . . ?
C10 C5 C6 C7 -2.4(6) . . . . ?
B1 C1 C2 C3 107.0(3) . . . . ?
B1 C1 C2 B2 -39.1(3) . . . . ?
B1 C1 C2 B3 -106.7(3) . . . . ?
B1 C1 C2 B4 -144.9(3) . . . . ?
B1 C1 C4 C5 -41.4(5) . . . . ?
B1 C1 B4 C2 33.5(3) . . . . ?
B1 C1 B4 B3 -1.9(4) . . . . ?
B1 C1 B4 B8 -65.4(4) . . . . ?
B1 C1 B4 B9 -105.4(3) . . . . ?
B1 C1 B5 B6 39.8(2) . . . . ?
B1 C1 B5 B9 142.5(3) . . . . ?
B1 C1 B5 B10 103.0(3) . . . . ?
B1 C1 B9 B4 105.7(3) . . . . ?
B1 C1 B9 B5 -36.0(3) . . . . ?
B1 C1 B9 B8 66.1(3) . . . . ?
B1 C1 B9 B10 3.7(4) . . . . ?
B1 C2 C3 C6 43.1(5) . . . . ?
B1 C2 B2 B3 -142.1(3) . . . . ?
B1 C2 B2 B6 -39.7(3) . . . . ?
B1 C2 B2 B7 -101.9(3) . . . . ?
B1 C2 B3 B2 36.5(3) . . . . ?
B1 C2 B3 B4 -105.4(3) . . . . ?
B1 C2 B3 B7 -3.8(4) . . . . ?
B1 C2 B3 B8 -65.6(4) . . . . ?
B1 C2 B4 C1 -33.6(3) . . . . ?
B1 C2 B4 B3 105.4(3) . . . . ?
B1 C2 B4 B8 64.7(3) . . . . ?
B1 C2 B4 B9 2.1(4) . . . . ?
B1 B2 B3 C2 -33.8(3) . . . . ?
B1 B2 B3 B4 0.4(4) . . . . ?
B1 B2 B3 B7 100.2(3) . . . . ?
B1 B2 B3 B8 63.4(4) . . . . ?
B1 B2 B6 B5 -37.9(2) . . . . ?
B1 B2 B6 B7 -138.2(3) . . . . ?
B1 B2 B6 B10 -100.9(3) . . . . ?
B1 B2 B7 B3 -101.3(3) . . . . ?
B1 B2 B7 B6 37.1(3) . . . . ?
B1 B2 B7 B8 -63.9(4) . . . . ?
B1 B2 B7 B10 -0.6(4) . . . . ?
B1 B5 B6 B2 37.8(3) . . . . ?
B1 B5 B6 B7 100.7(3) . . . . ?
B1 B5 B6 B10 138.7(3) . . . . ?
B1 B5 B9 C1 33.6(2) . . . . ?
B1 B5 B9 B4 -0.3(4) . . . . ?
B1 B5 B9 B8 -63.2(3) . . . . ?
B1 B5 B9 B10 -101.2(3) . . . . ?
B1 B5 B10 B6 -37.0(3) . . . . ?
B1 B5 B10 B7 0.7(4) . . . . ?
B1 B5 B10 B8 63.4(3) . . . . ?
B1 B5 B10 B9 101.3(3) . . . . ?
B1 B5 B10 B10 -149.2(4) . . . 3_766 ?
B1 B6 B7 B2 -37.1(3) . . . . ?
B1 B6 B7 B3 -0.1(4) . . . . ?
B1 B6 B7 B8 64.0(4) . . . . ?
B1 B6 B7 B10 101.2(3) . . . . ?
B1 B6 B10 B5 36.9(3) . . . . ?
B1 B6 B10 B7 -100.3(3) . . . . ?
B1 B6 B10 B8 -63.3(3) . . . . ?
B1 B6 B10 B9 -0.2(4) . . . . ?
B1 B6 B10 B10 146.1(4) . . . 3_766 ?
B2 C2 C3 C6 115.3(4) . . . . ?
B2 C2 B1 C1 138.4(3) . . . . ?
B2 C2 B1 B5 102.8(3) . . . . ?
B2 C2 B1 B6 40.3(3) . . . . ?
B2 C2 B3 B4 -141.9(3) . . . . ?
B2 C2 B3 B7 -40.2(3) . . . . ?
B2 C2 B3 B8 -102.1(3) . . . . ?
B2 C2 B4 C1 -102.3(3) . . . . ?
B2 C2 B4 B3 36.7(3) . . . . ?
B2 C2 B4 B8 -4.0(4) . . . . ?
B2 C2 B4 B9 -66.7(3) . . . . ?
B2 B1 B5 C1 95.9(3) . . . . ?
B2 B1 B5 B6 -38.4(3) . . . . ?
B2 B1 B5 B9 62.5(3) . . . . ?
B2 B1 B5 B10 -1.1(4) . . . . ?
B2 B1 B6 B5 137.4(3) . . . . ?
B2 B1 B6 B7 37.2(3) . . . . ?
B2 B1 B6 B10 100.6(3) . . . . ?
B2 B3 B4 C1 0.8(4) . . . . ?
B2 B3 B4 C2 -33.9(3) . . . . ?
B2 B3 B4 B8 100.3(3) . . . . ?
B2 B3 B4 B9 62.5(4) . . . . ?
B2 B3 B7 B6 -37.4(3) . . . . ?
B2 B3 B7 B8 -138.5(3) . . . . ?
B2 B3 B7 B10 -101.4(3) . . . . ?
B2 B3 B8 B4 -101.4(3) . . . . ?
B2 B3 B8 B7 37.1(3) . . . . ?
B2 B3 B8 B9 -63.9(4) . . . . ?
B2 B3 B8 B10 -0.4(4) . . . . ?
B2 B6 B7 B3 37.0(3) . . . . ?
B2 B6 B7 B8 101.1(3) . . . . ?
B2 B6 B7 B10 138.3(3) . . . . ?
B2 B6 B10 B5 100.1(3) . . . . ?
B2 B6 B10 B7 -37.1(3) . . . . ?
B2 B6 B10 B8 -0.2(4) . . . . ?
B2 B6 B10 B9 63.0(3) . . . . ?
B2 B6 B10 B10 -150.8(4) . . . 3_766 ?
B2 B7 B8 B3 -37.0(3) . . . . ?
B2 B7 B8 B4 -0.3(4) . . . . ?
B2 B7 B8 B9 63.3(4) . . . . ?
B2 B7 B8 B10 101.5(3) . . . . ?
B2 B7 B10 B5 -0.1(4) . . . . ?
B2 B7 B10 B6 37.6(3) . . . . ?
B2 B7 B10 B8 -100.7(3) . . . . ?
B2 B7 B10 B9 -62.9(3) . . . . ?
B2 B7 B10 B10 148.5(4) . . . 3_766 ?
B3 C2 C3 C6 -169.1(3) . . . . ?
B3 C2 B1 C1 101.9(3) . . . . ?
B3 C2 B1 B2 -36.6(3) . . . . ?
B3 C2 B1 B5 66.2(3) . . . . ?
B3 C2 B1 B6 3.7(4) . . . . ?
B3 C2 B2 B1 142.1(3) . . . . ?
B3 C2 B2 B6 102.4(3) . . . . ?
B3 C2 B2 B7 40.2(3) . . . . ?
B3 C2 B4 C1 -139.0(3) . . . . ?
B3 C2 B4 B8 -40.7(3) . . . . ?
B3 C2 B4 B9 -103.4(3) . . . . ?
B3 B2 B6 B1 100.9(3) . . . . ?
B3 B2 B6 B5 63.0(3) . . . . ?
B3 B2 B6 B7 -37.3(3) . . . . ?
B3 B2 B6 B10 0.0(4) . . . . ?
B3 B2 B7 B6 138.4(3) . . . . ?
B3 B2 B7 B8 37.4(3) . . . . ?
B3 B2 B7 B10 100.8(3) . . . . ?
B3 B4 B8 B7 -37.0(3) . . . . ?
B3 B4 B8 B9 -138.1(3) . . . . ?
B3 B4 B8 B10 -101.1(3) . . . . ?
B3 B4 B9 C1 -96.3(3) . . . . ?
B3 B4 B9 B5 -62.4(4) . . . . ?
B3 B4 B9 B8 38.2(3) . . . . ?
B3 B4 B9 B10 1.4(4) . . . . ?
B3 B7 B8 B4 36.7(3) . . . . ?
B3 B7 B8 B9 100.4(3) . . . . ?
B3 B7 B8 B10 138.5(3) . . . . ?
B3 B7 B10 B5 63.2(3) . . . . ?
B3 B7 B10 B6 100.9(3) . . . . ?
B3 B7 B10 B8 -37.4(3) . . . . ?
B3 B7 B10 B9 0.4(4) . . . . ?
B3 B7 B10 B10 -148.2(4) . . . 3_766 ?
B3 B8 B9 C1 2.1(4) . . . . ?
B3 B8 B9 B4 -37.1(3) . . . . ?
B3 B8 B9 B5 63.5(4) . . . . ?
B3 B8 B9 B10 101.7(3) . . . . ?
B3 B8 B10 B5 -62.3(3) . . . . ?
B3 B8 B10 B6 0.3(4) . . . . ?
B3 B8 B10 B7 37.2(3) . . . . ?
B3 B8 B10 B9 -100.1(3) . . . . ?
B3 B8 B10 B10 151.0(4) . . . 3_766 ?
B4 C1 C2 C3 -108.1(3) . . . . ?
B4 C1 C2 B1 144.9(3) . . . . ?
B4 C1 C2 B2 105.9(3) . . . . ?
B4 C1 C2 B3 38.3(3) . . . . ?
B4 C1 C4 C5 98.6(4) . . . . ?
B4 C1 B1 C2 -33.6(3) . . . . ?
B4 C1 B1 B2 2.1(4) . . . . ?
B4 C1 B1 B5 105.0(3) . . . . ?
B4 C1 B1 B6 65.1(3) . . . . ?
B4 C1 B5 B1 -105.7(3) . . . . ?
B4 C1 B5 B6 -65.9(3) . . . . ?
B4 C1 B5 B9 36.8(3) . . . . ?
B4 C1 B5 B10 -2.7(4) . . . . ?
B4 C1 B9 B5 -141.7(3) . . . . ?
B4 C1 B9 B8 -39.5(3) . . . . ?
B4 C1 B9 B10 -101.9(3) . . . . ?
B4 C2 C3 C6 -96.6(4) . . . . ?
B4 C2 B1 C1 33.4(3) . . . . ?
B4 C2 B1 B2 -105.0(3) . . . . ?
B4 C2 B1 B5 -2.2(4) . . . . ?
B4 C2 B1 B6 -64.7(3) . . . . ?
B4 C2 B2 B1 105.7(3) . . . . ?
B4 C2 B2 B3 -36.4(3) . . . . ?
B4 C2 B2 B6 66.0(3) . . . . ?
B4 C2 B2 B7 3.8(4) . . . . ?
B4 C2 B3 B2 141.9(3) . . . . ?
B4 C2 B3 B7 101.6(3) . . . . ?
B4 C2 B3 B8 39.8(3) . . . . ?
B4 B3 B7 B2 101.8(3) . . . . ?
B4 B3 B7 B6 64.4(4) . . . . ?
B4 B3 B7 B8 -36.7(3) . . . . ?
B4 B3 B7 B10 0.4(4) . . . . ?
B4 B3 B8 B7 138.5(3) . . . . ?
B4 B3 B8 B9 37.5(3) . . . . ?
B4 B3 B8 B10 101.0(3) . . . . ?
B4 B8 B9 C1 39.2(2) . . . . ?
B4 B8 B9 B5 100.6(3) . . . . ?
B4 B8 B9 B10 138.8(3) . . . . ?
B4 B8 B10 B5 0.7(4) . . . . ?
B4 B8 B10 B6 63.4(4) . . . . ?
B4 B8 B10 B7 100.3(3) . . . . ?
B4 B8 B10 B9 -37.1(3) . . . . ?
B4 B8 B10 B10 -146.0(4) . . . 3_766 ?
B4 B9 B10 B5 -100.7(3) . . . . ?
B4 B9 B10 B6 -63.7(3) . . . . ?
B4 B9 B10 B7 -1.1(3) . . . . ?
B4 B9 B10 B8 36.7(3) . . . . ?
B4 B9 B10 B10 149.1(4) . . . 3_766 ?
B5 C1 C2 C3 145.7(3) . . . . ?
B5 C1 C2 B1 38.8(3) . . . . ?
B5 C1 C2 B2 -0.3(4) . . . . ?
B5 C1 C2 B3 -67.9(3) . . . . ?
B5 C1 C2 B4 -106.2(3) . . . . ?
B5 C1 C4 C5 -114.5(4) . . . . ?
B5 C1 B1 C2 -138.6(3) . . . . ?
B5 C1 B1 B2 -102.9(3) . . . . ?
B5 C1 B1 B6 -40.0(2) . . . . ?
B5 C1 B4 C2 102.1(3) . . . . ?
B5 C1 B4 B3 66.7(4) . . . . ?
B5 C1 B4 B8 3.2(4) . . . . ?
B5 C1 B4 B9 -36.8(3) . . . . ?
B5 C1 B9 B4 141.7(3) . . . . ?
B5 C1 B9 B8 102.2(3) . . . . ?
B5 C1 B9 B10 39.8(2) . . . . ?
B5 B1 B2 C2 -96.1(3) . . . . ?
B5 B1 B2 B3 -62.6(4) . . . . ?
B5 B1 B2 B6 38.2(3) . . . . ?
B5 B1 B2 B7 1.0(4) . . . . ?
B5 B1 B6 B2 -137.4(3) . . . . ?
B5 B1 B6 B7 -100.2(3) . . . . ?
B5 B1 B6 B10 -36.8(3) . . . . ?
B5 B6 B7 B2 -100.3(3) . . . . ?
B5 B6 B7 B3 -63.3(4) . . . . ?
B5 B6 B7 B8 0.8(4) . . . . ?
B5 B6 B7 B10 38.0(3) . . . . ?
B5 B6 B10 B7 -137.2(3) . . . . ?
B5 B6 B10 B8 -100.2(3) . . . . ?
B5 B6 B10 B9 -37.1(3) . . . . ?
B5 B6 B10 B10 109.2(5) . . . 3_766 ?
B5 B9 B10 B6 37.0(3) . . . . ?
B5 B9 B10 B7 99.6(3) . . . . ?
B5 B9 B10 B8 137.4(3) . . . . ?
B5 B9 B10 B10 -110.2(4) . . . 3_766 ?
B6 B1 B2 C2 -134.3(3) . . . . ?
B6 B1 B2 B3 -100.8(3) . . . . ?
B6 B1 B2 B7 -37.2(3) . . . . ?
B6 B1 B5 C1 134.4(3) . . . . ?
B6 B1 B5 B9 101.0(3) . . . . ?
B6 B1 B5 B10 37.4(3) . . . . ?
B6 B2 B3 C2 -96.8(3) . . . . ?
B6 B2 B3 B4 -62.7(4) . . . . ?
B6 B2 B3 B7 37.2(3) . . . . ?
B6 B2 B3 B8 0.3(4) . . . . ?
B6 B2 B7 B3 -138.4(3) . . . . ?
B6 B2 B7 B8 -101.0(3) . . . . ?
B6 B2 B7 B10 -37.7(3) . . . . ?
B6 B5 B9 C1 97.1(3) . . . . ?
B6 B5 B9 B4 63.2(3) . . . . ?
B6 B5 B9 B8 0.3(4) . . . . ?
B6 B5 B9 B10 -37.7(3) . . . . ?
B6 B5 B10 B7 37.7(3) . . . . ?
B6 B5 B10 B8 100.4(3) . . . . ?
B6 B5 B10 B9 138.3(3) . . . . ?
B6 B5 B10 B10 -112.2(4) . . . 3_766 ?
B6 B7 B8 B3 -101.0(3) . . . . ?
B6 B7 B8 B4 -64.2(4) . . . . ?
B6 B7 B8 B9 -0.6(4) . . . . ?
B6 B7 B8 B10 37.5(3) . . . . ?
B6 B7 B10 B5 -37.7(3) . . . . ?
B6 B7 B10 B8 -138.4(3) . . . . ?
B6 B7 B10 B9 -100.5(3) . . . . ?
B6 B7 B10 B10 110.9(5) . . . 3_766 ?
B7 B2 B3 C2 -134.0(3) . . . . ?
B7 B2 B3 B4 -99.8(3) . . . . ?
B7 B2 B3 B8 -36.9(3) . . . . ?
B7 B2 B6 B1 138.2(3) . . . . ?
B7 B2 B6 B5 100.3(3) . . . . ?
B7 B2 B6 B10 37.3(3) . . . . ?
B7 B3 B4 C1 -62.7(4) . . . . ?
B7 B3 B4 C2 -97.5(3) . . . . ?
B7 B3 B4 B8 36.7(3) . . . . ?
B7 B3 B4 B9 -1.1(4) . . . . ?
B7 B3 B8 B4 -138.5(3) . . . . ?
B7 B3 B8 B9 -101.1(3) . . . . ?
B7 B3 B8 B10 -37.5(3) . . . . ?
B7 B6 B10 B5 137.2(3) . . . . ?
B7 B6 B10 B8 36.9(3) . . . . ?
B7 B6 B10 B9 100.1(3) . . . . ?
B7 B6 B10 B10 -113.6(5) . . . 3_766 ?
B7 B8 B9 C1 -61.2(4) . . . . ?
B7 B8 B9 B4 -100.4(3) . . . . ?
B7 B8 B9 B5 0.2(4) . . . . ?
B7 B8 B9 B10 38.4(3) . . . . ?
B7 B8 B10 B5 -99.6(3) . . . . ?
B7 B8 B10 B6 -36.9(3) . . . . ?
B7 B8 B10 B9 -137.4(3) . . . . ?
B7 B8 B10 B10 113.8(5) . . . 3_766 ?
B8 B3 B4 C1 -99.5(3) . . . . ?
B8 B3 B4 C2 -134.2(3) . . . . ?
B8 B3 B4 B9 -37.8(3) . . . . ?
B8 B3 B7 B2 138.5(3) . . . . ?
B8 B3 B7 B6 101.1(3) . . . . ?
B8 B3 B7 B10 37.1(3) . . . . ?
B8 B4 B9 C1 -134.5(3) . . . . ?
B8 B4 B9 B5 -100.6(3) . . . . ?
B8 B4 B9 B10 -36.9(3) . . . . ?
B8 B7 B10 B5 100.6(3) . . . . ?
B8 B7 B10 B6 138.4(3) . . . . ?
B8 B7 B10 B9 37.9(3) . . . . ?
B8 B7 B10 B10 -110.8(5) . . . 3_766 ?
B8 B9 B10 B5 -137.4(3) . . . . ?
B8 B9 B10 B6 -100.4(3) . . . . ?
B8 B9 B10 B7 -37.7(3) . . . . ?
B8 B9 B10 B10 112.4(4) . . . 3_766 ?
B9 C1 C2 C3 -146.8(3) . . . . ?
B9 C1 C2 B1 106.2(3) . . . . ?
B9 C1 C2 B2 67.1(3) . . . . ?
B9 C1 C2 B3 -0.5(4) . . . . ?
B9 C1 C2 B4 -38.8(3) . . . . ?
B9 C1 C4 C5 170.4(3) . . . . ?
B9 C1 B1 C2 -102.5(3) . . . . ?
B9 C1 B1 B2 -66.8(3) . . . . ?
B9 C1 B1 B5 36.1(3) . . . . ?
B9 C1 B1 B6 -3.8(4) . . . . ?
B9 C1 B4 C2 138.9(3) . . . . ?
B9 C1 B4 B3 103.5(3) . . . . ?
B9 C1 B4 B8 39.9(3) . . . . ?
B9 C1 B5 B1 -142.5(3) . . . . ?
B9 C1 B5 B6 -102.6(3) . . . . ?
B9 C1 B5 B10 -39.5(2) . . . . ?
B9 B4 B8 B3 138.1(3) . . . . ?
B9 B4 B8 B7 101.1(3) . . . . ?
B9 B4 B8 B10 37.0(3) . . . . ?
B9 B5 B6 B1 -101.3(3) . . . . ?
B9 B5 B6 B2 -63.6(3) . . . . ?
B9 B5 B6 B7 -0.7(4) . . . . ?
B9 B5 B6 B10 37.4(3) . . . . ?
B9 B5 B10 B6 -138.3(3) . . . . ?
B9 B5 B10 B7 -100.6(3) . . . . ?
B9 B5 B10 B8 -37.9(3) . . . . ?
B9 B5 B10 B10 109.5(4) . . . 3_766 ?
B9 B8 B10 B5 37.8(3) . . . . ?
B9 B8 B10 B6 100.5(3) . . . . ?
B9 B8 B10 B7 137.4(3) . . . . ?
B9 B8 B10 B10 -108.9(5) . . . 3_766 ?
B10 B5 B6 B1 -138.7(3) . . . . ?
B10 B5 B6 B2 -101.0(3) . . . . ?
B10 B5 B6 B7 -38.1(3) . . . . ?
B10 B5 B9 C1 134.8(3) . . . . ?
B10 B5 B9 B4 100.9(3) . . . . ?
B10 B5 B9 B8 38.0(3) . . . . ?
B10 B6 B7 B2 -138.3(3) . . . . ?
B10 B6 B7 B3 -101.3(3) . . . . ?
B10 B6 B7 B8 -37.2(3) . . . . ?
B10 B7 B8 B3 -138.5(3) . . . . ?
B10 B7 B8 B4 -101.7(3) . . . . ?
B10 B7 B8 B9 -38.1(3) . . . . ?
B10 B8 B9 C1 -99.6(3) . . . . ?
B10 B8 B9 B4 -138.8(3) . . . . ?
B10 B8 B9 B5 -38.2(3) . . . . ?
C1' C2' C3' C6' -28.1(5) . . . . ?
C1' C2' B1' B2' -138.4(3) . . . . ?
C1' C2' B1' B5' -35.7(2) . . . . ?
C1' C2' B1' B6' -98.4(3) . . . . ?
C1' C2' B2' B1' 38.7(3) . . . . ?
C1' C2' B2' B3' -102.9(3) . . . . ?
C1' C2' B2' B6' -1.2(4) . . . . ?
C1' C2' B2' B7' -63.7(4) . . . . ?
C1' C2' B3' B2' 103.7(3) . . . . ?
C1' C2' B3' B4' -38.5(3) . . . . ?
C1' C2' B3' B7' 63.9(4) . . . . ?
C1' C2' B3' B8' 1.3(4) . . . . ?
C1' C2' B4' B3' 138.5(3) . . . . ?
C1' C2' B4' B8' 98.2(3) . . . . ?
C1' C2' B4' B9' 35.4(3) . . . . ?
C1' C4' C5' C6' -31.3(6) . . . . ?
C1' C4' C5' C10' 149.1(4) . . . . ?
C1' B1' B2' C2' -34.7(2) . . . . ?
C1' B1' B2' B3' -0.7(4) . . . . ?
C1' B1' B2' B6' 99.6(3) . . . . ?
C1' B1' B2' B7' 62.4(3) . . . . ?
C1' B1' B5' B6' -133.7(3) . . . . ?
C1' B1' B5' B9' -33.2(3) . . . . ?
C1' B1' B5' B10' -96.7(3) . . . . ?
C1' B1' B6' B2' -97.6(3) . . . . ?
C1' B1' B6' B5' 39.9(3) . . . . ?
C1' B1' B6' B7' -60.5(3) . . . . ?
C1' B1' B6' B10' 3.4(4) . . . . ?
C1' B4' B8' B3' 98.0(3) . . . . ?
C1' B4' B8' B7' 61.5(4) . . . . ?
C1' B4' B8' B9' -39.4(3) . . . . ?
C1' B4' B8' B10' -3.0(4) . . . . ?
C1' B4' B9' B5' 33.7(3) . . . . ?
C1' B4' B9' B8' 134.2(3) . . . . ?
C1' B4' B9' B10' 97.8(3) . . . . ?
C1' B5' B6' B1' -40.0(3) . . . . ?
C1' B5' B6' B2' -2.2(4) . . . . ?
C1' B5' B6' B7' 60.9(3) . . . . ?
C1' B5' B6' B10' 99.3(3) . . . . ?
C1' B5' B9' B4' -34.0(3) . . . . ?
C1' B5' B9' B8' -97.0(3) . . . . ?
C1' B5' B9' B10' -135.1(3) . . . . ?
C1' B5' B10' B6' -98.6(3) . . . . ?
C1' B5' B10' B7' -61.1(3) . . . . ?
C1' B5' B10' B8' 0.9(4) . . . . ?
C1' B5' B10' B9' 38.6(3) . . . . ?
C1' B5' B10' B10' 149.1(4) . . . 3_656 ?
C1' B9' B10' B5' -38.9(2) . . . . ?
C1' B9' B10' B6' -1.2(3) . . . . ?
C1' B9' B10' B7' 60.8(3) . . . . ?
C1' B9' B10' B8' 98.6(3) . . . . ?
C1' B9' B10' B10' -149.9(4) . . . 3_656 ?
C2' C1' C4' C5' 30.4(6) . . . . ?
C2' C1' B1' B2' 35.5(2) . . . . ?
C2' C1' B1' B5' 138.7(3) . . . . ?
C2' C1' B1' B6' 98.1(3) . . . . ?
C2' C1' B4' B3' -35.7(2) . . . . ?
C2' C1' B4' B8' -98.7(3) . . . . ?
C2' C1' B4' B9' -139.0(3) . . . . ?
C2' C1' B5' B1' -38.6(3) . . . . ?
C2' C1' B5' B6' 1.6(4) . . . . ?
C2' C1' B5' B9' 103.8(3) . . . . ?
C2' C1' B5' B10' 64.6(3) . . . . ?
C2' C1' B9' B4' 38.5(3) . . . . ?
C2' C1' B9' B5' -103.6(3) . . . . ?
C2' C1' B9' B8' -1.3(4) . . . . ?
C2' C1' B9' B10' -64.0(3) . . . . ?
C2' C3' C6' C5' 30.7(5) . . . . ?
C2' C3' C6' C7' -148.8(4) . . . . ?
C2' B1' B2' B3' 34.1(3) . . . . ?
C2' B1' B2' B6' 134.4(3) . . . . ?
C2' B1' B2' B7' 97.1(3) . . . . ?
C2' B1' B5' C1' 34.6(2) . . . . ?
C2' B1' B5' B6' -99.0(3) . . . . ?
C2' B1' B5' B9' 1.4(4) . . . . ?
C2' B1' B5' B10' -62.1(3) . . . . ?
C2' B1' B6' B2' -38.9(3) . . . . ?
C2' B1' B6' B5' 98.6(3) . . . . ?
C2' B1' B6' B7' -1.8(4) . . . . ?
C2' B1' B6' B10' 62.1(3) . . . . ?
C2' B2' B3' B4' 34.2(3) . . . . ?
C2' B2' B3' B7' 134.8(3) . . . . ?
C2' B2' B3' B8' 97.5(3) . . . . ?
C2' B2' B6' B1' 39.8(3) . . . . ?
C2' B2' B6' B5' 2.1(4) . . . . ?
C2' B2' B6' B7' -98.5(3) . . . . ?
C2' B2' B6' B10' -61.2(4) . . . . ?
C2' B2' B7' B3' -38.9(3) . . . . ?
C2' B2' B7' B6' 99.6(3) . . . . ?
C2' B2' B7' B8' -1.5(4) . . . . ?
C2' B2' B7' B10' 62.1(4) . . . . ?
C2' B3' B4' C1' 34.7(2) . . . . ?
C2' B3' B4' B8' 134.4(3) . . . . ?
C2' B3' B4' B9' 96.0(3) . . . . ?
C2' B3' B7' B2' 38.9(3) . . . . ?
C2' B3' B7' B6' 1.7(4) . . . . ?
C2' B3' B7' B8' -99.6(3) . . . . ?
C2' B3' B7' B10' -62.3(4) . . . . ?
C2' B3' B8' B4' -40.0(3) . . . . ?
C2' B3' B8' B7' 98.9(3) . . . . ?
C2' B3' B8' B9' -2.1(4) . . . . ?
C2' B3' B8' B10' 61.3(4) . . . . ?
C2' B4' B8' B3' 39.3(3) . . . . ?
C2' B4' B8' B7' 2.8(4) . . . . ?
C2' B4' B8' B9' -98.1(3) . . . . ?
C2' B4' B8' B10' -61.7(4) . . . . ?
C2' B4' B9' C1' -34.4(3) . . . . ?
C2' B4' B9' B5' -0.6(4) . . . . ?
C2' B4' B9' B8' 99.8(3) . . . . ?
C2' B4' B9' B10' 63.4(4) . . . . ?
C3' C2' B1' C1' -107.3(3) . . . . ?
C3' C2' B1' B2' 114.3(4) . . . . ?
C3' C2' B1' B5' -143.0(3) . . . . ?
C3' C2' B1' B6' 154.3(3) . . . . ?
C3' C2' B2' B1' -105.2(4) . . . . ?
C3' C2' B2' B3' 113.2(4) . . . . ?
C3' C2' B2' B6' -145.0(3) . . . . ?
C3' C2' B2' B7' 152.5(3) . . . . ?
C3' C2' B3' B2' -112.4(4) . . . . ?
C3' C2' B3' B4' 105.4(4) . . . . ?
C3' C2' B3' B7' -152.2(3) . . . . ?
C3' C2' B3' B8' 145.3(3) . . . . ?
C3' C2' B4' C1' 107.1(4) . . . . ?
C3' C2' B4' B3' -114.4(4) . . . . ?
C3' C2' B4' B8' -154.7(3) . . . . ?
C3' C2' B4' B9' 142.4(3) . . . . ?
C3' C6' C7' C8' -179.3(4) . . . . ?
C4' C1' C2' C3' -1.7(5) . . . . ?
C4' C1' C2' B1' -108.9(4) . . . . ?
C4' C1' C2' B2' -147.8(4) . . . . ?
C4' C1' C2' B3' 144.8(4) . . . . ?
C4' C1' C2' B4' 106.4(4) . . . . ?
C4' C1' B1' C2' 106.8(4) . . . . ?
C4' C1' B1' B2' 142.4(3) . . . . ?
C4' C1' B1' B5' -114.4(4) . . . . ?
C4' C1' B1' B6' -155.1(3) . . . . ?
C4' C1' B4' C2' -107.7(3) . . . . ?
C4' C1' B4' B3' -143.4(3) . . . . ?
C4' C1' B4' B8' 153.6(3) . . . . ?
C4' C1' B4' B9' 113.3(4) . . . . ?
C4' C1' B5' B1' 106.4(4) . . . . ?
C4' C1' B5' B6' 146.7(4) . . . . ?
C4' C1' B5' B9' -111.1(4) . . . . ?
C4' C1' B5' B10' -150.3(3) . . . . ?
C4' C1' B9' B4' -104.4(4) . . . . ?
C4' C1' B9' B5' 113.5(4) . . . . ?
C4' C1' B9' B8' -144.1(4) . . . . ?
C4' C1' B9' B10' 153.1(4) . . . . ?
C4' C5' C6' C3' -0.2(6) . . . . ?
C4' C5' C6' C7' 179.3(4) . . . . ?
C4' C5' C10' C9' -180.0(4) . . . . ?
C5' C6' C7' C8' 1.2(7) . . . . ?
C6' C5' C10' C9' 0.4(7) . . . . ?
C6' C7' C8' C9' -0.5(8) . . . . ?
C7' C8' C9' C10' -0.2(8) . . . . ?
C8' C9' C10' C5' 0.3(8) . . . . ?
C10' C5' C6' C3' 179.4(4) . . . . ?
C10' C5' C6' C7' -1.1(6) . . . . ?
B1' C1' C2' C3' 107.2(4) . . . . ?
B1' C1' C2' B2' -38.9(3) . . . . ?
B1' C1' C2' B3' -106.3(3) . . . . ?
B1' C1' C2' B4' -144.7(3) . . . . ?
B1' C1' C4' C5' -40.2(6) . . . . ?
B1' C1' B4' C2' 34.1(3) . . . . ?
B1' C1' B4' B3' -1.6(4) . . . . ?
B1' C1' B4' B8' -64.7(4) . . . . ?
B1' C1' B4' B9' -104.9(3) . . . . ?
B1' C1' B5' B6' 40.2(3) . . . . ?
B1' C1' B5' B9' 142.4(3) . . . . ?
B1' C1' B5' B10' 103.2(3) . . . . ?
B1' C1' B9' B4' 106.1(3) . . . . ?
B1' C1' B9' B5' -36.0(3) . . . . ?
B1' C1' B9' B8' 66.4(4) . . . . ?
B1' C1' B9' B10' 3.6(4) . . . . ?
B1' C2' C3' C6' 41.6(5) . . . . ?
B1' C2' B2' B3' -141.6(3) . . . . ?
B1' C2' B2' B6' -39.8(3) . . . . ?
B1' C2' B2' B7' -102.3(3) . . . . ?
B1' C2' B3' B2' 36.7(3) . . . . ?
B1' C2' B3' B4' -105.5(3) . . . . ?
B1' C2' B3' B7' -3.0(4) . . . . ?
B1' C2' B3' B8' -65.6(4) . . . . ?
B1' C2' B4' C1' -33.8(3) . . . . ?
B1' C2' B4' B3' 104.7(3) . . . . ?
B1' C2' B4' B8' 64.4(4) . . . . ?
B1' C2' B4' B9' 1.6(4) . . . . ?
B1' B2' B3' C2' -34.4(3) . . . . ?
B1' B2' B3' B4' -0.3(4) . . . . ?
B1' B2' B3' B7' 100.4(3) . . . . ?
B1' B2' B3' B8' 63.1(4) . . . . ?
B1' B2' B6' B5' -37.7(3) . . . . ?
B1' B2' B6' B7' -138.4(3) . . . . ?
B1' B2' B6' B10' -101.0(3) . . . . ?
B1' B2' B7' B3' -101.4(3) . . . . ?
B1' B2' B7' B6' 37.1(3) . . . . ?
B1' B2' B7' B8' -64.0(4) . . . . ?
B1' B2' B7' B10' -0.4(4) . . . . ?
B1' B5' B6' B2' 37.8(3) . . . . ?
B1' B5' B6' B7' 100.9(3) . . . . ?
B1' B5' B6' B10' 139.3(3) . . . . ?
B1' B5' B9' C1' 33.5(3) . . . . ?
B1' B5' B9' B4' -0.5(4) . . . . ?
B1' B5' B9' B8' -63.5(3) . . . . ?
B1' B5' B9' B10' -101.6(3) . . . . ?
B1' B5' B10' B6' -36.5(3) . . . . ?
B1' B5' B10' B7' 1.0(4) . . . . ?
B1' B5' B10' B8' 63.0(3) . . . . ?
B1' B5' B10' B9' 100.7(3) . . . . ?
B1' B5' B10' B10' -148.8(4) . . . 3_656 ?
B1' B6' B7' B2' -37.2(3) . . . . ?
B1' B6' B7' B3' 0.0(4) . . . . ?
B1' B6' B7' B8' 64.0(4) . . . . ?
B1' B6' B7' B10' 101.3(3) . . . . ?
B1' B6' B10' B5' 36.5(3) . . . . ?
B1' B6' B10' B7' -100.6(3) . . . . ?
B1' B6' B10' B8' -64.1(4) . . . . ?
B1' B6' B10' B9' -1.4(4) . . . . ?
B1' B6' B10' B10' 146.6(4) . . . 3_656 ?
B2' C2' C3' C6' 113.9(4) . . . . ?
B2' C2' B1' C1' 138.4(3) . . . . ?
B2' C2' B1' B5' 102.7(3) . . . . ?
B2' C2' B1' B6' 40.0(3) . . . . ?
B2' C2' B3' B4' -142.2(3) . . . . ?
B2' C2' B3' B7' -39.8(3) . . . . ?
B2' C2' B3' B8' -102.3(3) . . . . ?
B2' C2' B4' C1' -102.2(3) . . . . ?
B2' C2' B4' B3' 36.3(3) . . . . ?
B2' C2' B4' B8' -4.0(4) . . . . ?
B2' C2' B4' B9' -66.8(4) . . . . ?
B2' B1' B5' C1' 95.5(3) . . . . ?
B2' B1' B5' B6' -38.2(3) . . . . ?
B2' B1' B5' B9' 62.2(3) . . . . ?
B2' B1' B5' B10' -1.2(4) . . . . ?
B2' B1' B6' B5' 137.5(3) . . . . ?
B2' B1' B6' B7' 37.2(3) . . . . ?
B2' B1' B6' B10' 101.0(3) . . . . ?
B2' B3' B4' C1' 1.1(4) . . . . ?
B2' B3' B4' C2' -33.6(3) . . . . ?
B2' B3' B4' B8' 100.8(3) . . . . ?
B2' B3' B4' B9' 62.4(4) . . . . ?
B2' B3' B7' B6' -37.2(3) . . . . ?
B2' B3' B7' B8' -138.5(3) . . . . ?
B2' B3' B7' B10' -101.3(3) . . . . ?
B2' B3' B8' B4' -101.6(3) . . . . ?
B2' B3' B8' B7' 37.4(3) . . . . ?
B2' B3' B8' B9' -63.6(4) . . . . ?
B2' B3' B8' B10' -0.2(4) . . . . ?
B2' B6' B7' B3' 37.2(3) . . . . ?
B2' B6' B7' B8' 101.2(3) . . . . ?
B2' B6' B7' B10' 138.5(3) . . . . ?
B2' B6' B10' B5' 100.0(3) . . . . ?
B2' B6' B10' B7' -37.1(3) . . . . ?
B2' B6' B10' B8' -0.6(4) . . . . ?
B2' B6' B10' B9' 62.1(3) . . . . ?
B2' B6' B10' B10' -149.9(4) . . . 3_656 ?
B2' B7' B8' B3' -37.3(3) . . . . ?
B2' B7' B8' B4' -0.8(4) . . . . ?
B2' B7' B8' B9' 62.6(4) . . . . ?
B2' B7' B8' B10' 101.2(3) . . . . ?
B2' B7' B10' B5' -0.4(4) . . . . ?
B2' B7' B10' B6' 37.2(3) . . . . ?
B2' B7' B10' B8' -101.1(3) . . . . ?
B2' B7' B10' B9' -63.0(3) . . . . ?
B2' B7' B10' B10' 148.5(4) . . . 3_656 ?
B3' C2' C3' C6' -170.1(3) . . . . ?
B3' C2' B1' C1' 101.5(3) . . . . ?
B3' C2' B1' B2' -36.9(3) . . . . ?
B3' C2' B1' B5' 65.8(4) . . . . ?
B3' C2' B1' B6' 3.1(4) . . . . ?
B3' C2' B2' B1' 141.6(3) . . . . ?
B3' C2' B2' B6' 101.8(3) . . . . ?
B3' C2' B2' B7' 39.3(3) . . . . ?
B3' C2' B4' C1' -138.5(3) . . . . ?
B3' C2' B4' B8' -40.3(3) . . . . ?
B3' C2' B4' B9' -103.1(3) . . . . ?
B3' B2' B6' B1' 101.5(3) . . . . ?
B3' B2' B6' B5' 63.7(4) . . . . ?
B3' B2' B6' B7' -36.9(3) . . . . ?
B3' B2' B6' B10' 0.4(4) . . . . ?
B3' B2' B7' B6' 138.5(3) . . . . ?
B3' B2' B7' B8' 37.4(3) . . . . ?
B3' B2' B7' B10' 101.0(3) . . . . ?
B3' B4' B8' B7' -36.5(3) . . . . ?
B3' B4' B8' B9' -137.4(3) . . . . ?
B3' B4' B8' B10' -101.0(3) . . . . ?
B3' B4' B9' C1' -95.7(3) . . . . ?
B3' B4' B9' B5' -61.9(4) . . . . ?
B3' B4' B9' B8' 38.6(3) . . . . ?
B3' B4' B9' B10' 2.1(4) . . . . ?
B3' B7' B8' B4' 36.5(3) . . . . ?
B3' B7' B8' B9' 99.9(3) . . . . ?
B3' B7' B8' B10' 138.5(3) . . . . ?
B3' B7' B10' B5' 63.4(3) . . . . ?
B3' B7' B10' B6' 101.0(3) . . . . ?
B3' B7' B10' B8' -37.4(3) . . . . ?
B3' B7' B10' B9' 0.7(4) . . . . ?
B3' B7' B10' B10' -147.7(4) . . . 3_656 ?
B3' B8' B9' C1' 2.0(4) . . . . ?
B3' B8' B9' B4' -37.7(3) . . . . ?
B3' B8' B9' B5' 63.7(3) . . . . ?
B3' B8' B9' B10' 101.8(3) . . . . ?
B3' B8' B10' B5' -62.0(4) . . . . ?
B3' B8' B10' B6' 0.5(4) . . . . ?
B3' B8' B10' B7' 37.1(3) . . . . ?
B3' B8' B10' B9' -99.7(3) . . . . ?
B3' B8' B10' B10' 150.1(4) . . . 3_656 ?
B4' C1' C2' C3' -108.1(4) . . . . ?
B4' C1' C2' B1' 144.7(3) . . . . ?
B4' C1' C2' B2' 105.8(3) . . . . ?
B4' C1' C2' B3' 38.4(3) . . . . ?
B4' C1' C4' C5' 100.2(4) . . . . ?
B4' C1' B1' C2' -34.1(3) . . . . ?
B4' C1' B1' B2' 1.5(4) . . . . ?
B4' C1' B1' B5' 104.7(3) . . . . ?
B4' C1' B1' B6' 64.0(4) . . . . ?
B4' C1' B5' B1' -106.2(3) . . . . ?
B4' C1' B5' B6' -66.0(4) . . . . ?
B4' C1' B5' B9' 36.2(3) . . . . ?
B4' C1' B5' B10' -3.0(4) . . . . ?
B4' C1' B9' B5' -142.1(3) . . . . ?
B4' C1' B9' B8' -39.7(3) . . . . ?
B4' C1' B9' B10' -102.5(3) . . . . ?
B4' C2' C3' C6' -98.2(4) . . . . ?
B4' C2' B1' C1' 33.8(3) . . . . ?
B4' C2' B1' B2' -104.6(3) . . . . ?
B4' C2' B1' B5' -1.9(4) . . . . ?
B4' C2' B1' B6' -64.6(4) . . . . ?
B4' C2' B2' B1' 105.8(3) . . . . ?
B4' C2' B2' B3' -35.8(3) . . . . ?
B4' C2' B2' B6' 66.0(4) . . . . ?
B4' C2' B2' B7' 3.5(4) . . . . ?
B4' C2' B3' B2' 142.2(3) . . . . ?
B4' C2' B3' B7' 102.4(3) . . . . ?
B4' C2' B3' B8' 39.8(3) . . . . ?
B4' B3' B7' B2' 101.9(3) . . . . ?
B4' B3' B7' B6' 64.7(4) . . . . ?
B4' B3' B7' B8' -36.6(3) . . . . ?
B4' B3' B7' B10' 0.6(4) . . . . ?
B4' B3' B8' B7' 139.0(3) . . . . ?
B4' B3' B8' B9' 37.9(3) . . . . ?
B4' B3' B8' B10' 101.3(3) . . . . ?
B4' B8' B9' C1' 39.8(3) . . . . ?
B4' B8' B9' B5' 101.4(3) . . . . ?
B4' B8' B9' B10' 139.6(3) . . . . ?
B4' B8' B10' B5' 1.3(4) . . . . ?
B4' B8' B10' B6' 63.7(4) . . . . ?
B4' B8' B10' B7' 100.3(3) . . . . ?
B4' B8' B10' B9' -36.4(3) . . . . ?
B4' B8' B10' B10' -146.7(4) . . . 3_656 ?
B4' B9' B10' B5' -101.4(3) . . . . ?
B4' B9' B10' B6' -63.7(3) . . . . ?
B4' B9' B10' B7' -1.7(4) . . . . ?
B4' B9' B10' B8' 36.1(3) . . . . ?
B4' B9' B10' B10' 147.6(4) . . . 3_656 ?
B5' C1' C2' C3' 145.8(3) . . . . ?
B5' C1' C2' B1' 38.6(3) . . . . ?
B5' C1' C2' B2' -0.3(4) . . . . ?
B5' C1' C2' B3' -67.7(4) . . . . ?
B5' C1' C2' B4' -106.1(3) . . . . ?
B5' C1' C4' C5' -113.1(4) . . . . ?
B5' C1' B1' C2' -138.7(3) . . . . ?
B5' C1' B1' B2' -103.2(3) . . . . ?
B5' C1' B1' B6' -40.7(3) . . . . ?
B5' C1' B4' C2' 102.5(3) . . . . ?
B5' C1' B4' B3' 66.8(4) . . . . ?
B5' C1' B4' B8' 3.8(4) . . . . ?
B5' C1' B4' B9' -36.5(3) . . . . ?
B5' C1' B9' B4' 142.1(3) . . . . ?
B5' C1' B9' B8' 102.4(3) . . . . ?
B5' C1' B9' B10' 39.6(3) . . . . ?
B5' B1' B2' C2' -96.2(3) . . . . ?
B5' B1' B2' B3' -62.1(3) . . . . ?
B5' B1' B2' B6' 38.2(3) . . . . ?
B5' B1' B2' B7' 1.0(4) . . . . ?
B5' B1' B6' B2' -137.5(3) . . . . ?
B5' B1' B6' B7' -100.4(3) . . . . ?
B5' B1' B6' B10' -36.5(3) . . . . ?
B5' B6' B7' B2' -100.4(3) . . . . ?
B5' B6' B7' B3' -63.2(4) . . . . ?
B5' B6' B7' B8' 0.8(4) . . . . ?
B5' B6' B7' B10' 38.1(2) . . . . ?
B5' B6' B10' B7' -137.1(3) . . . . ?
B5' B6' B10' B8' -100.6(3) . . . . ?
B5' B6' B10' B9' -37.9(3) . . . . ?
B5' B6' B10' B10' 110.1(4) . . . 3_656 ?
B5' B9' B10' B6' 37.7(3) . . . . ?
B5' B9' B10' B7' 99.7(3) . . . . ?
B5' B9' B10' B8' 137.5(3) . . . . ?
B5' B9' B10' B10' -110.9(4) . . . 3_656 ?
B6' B1' B2' C2' -134.4(3) . . . . ?
B6' B1' B2' B3' -100.3(3) . . . . ?
B6' B1' B2' B7' -37.2(3) . . . . ?
B6' B1' B5' C1' 133.7(3) . . . . ?
B6' B1' B5' B9' 100.4(3) . . . . ?
B6' B1' B5' B10' 37.0(3) . . . . ?
B6' B2' B3' C2' -97.7(3) . . . . ?
B6' B2' B3' B4' -63.5(4) . . . . ?
B6' B2' B3' B7' 37.1(3) . . . . ?
B6' B2' B3' B8' -0.1(4) . . . . ?
B6' B2' B7' B3' -138.5(3) . . . . ?
B6' B2' B7' B8' -101.1(3) . . . . ?
B6' B2' B7' B10' -37.4(3) . . . . ?
B6' B5' B9' C1' 96.6(3) . . . . ?
B6' B5' B9' B4' 62.6(3) . . . . ?
B6' B5' B9' B8' -0.4(4) . . . . ?
B6' B5' B9' B10' -38.5(2) . . . . ?
B6' B5' B10' B7' 37.5(3) . . . . ?
B6' B5' B10' B8' 99.6(3) . . . . ?
B6' B5' B10' B9' 137.2(3) . . . . ?
B6' B5' B10' B10' -112.2(4) . . . 3_656 ?
B6' B7' B8' B3' -100.9(3) . . . . ?
B6' B7' B8' B4' -64.5(4) . . . . ?
B6' B7' B8' B9' -1.0(4) . . . . ?
B6' B7' B8' B10' 37.6(3) . . . . ?
B6' B7' B10' B5' -37.6(3) . . . . ?
B6' B7' B10' B8' -138.4(3) . . . . ?
B6' B7' B10' B9' -100.3(3) . . . . ?
B6' B7' B10' B10' 111.3(4) . . . 3_656 ?
B7' B2' B3' C2' -134.8(3) . . . . ?
B7' B2' B3' B4' -100.6(3) . . . . ?
B7' B2' B3' B8' -37.3(3) . . . . ?
B7' B2' B6' B1' 138.4(3) . . . . ?
B7' B2' B6' B5' 100.6(3) . . . . ?
B7' B2' B6' B10' 37.3(3) . . . . ?
B7' B3' B4' C1' -62.9(4) . . . . ?
B7' B3' B4' C2' -97.6(3) . . . . ?
B7' B3' B4' B8' 36.8(3) . . . . ?
B7' B3' B4' B9' -1.7(4) . . . . ?
B7' B3' B8' B4' -139.0(3) . . . . ?
B7' B3' B8' B9' -101.0(3) . . . . ?
B7' B3' B8' B10' -37.6(3) . . . . ?
B7' B6' B10' B5' 137.1(3) . . . . ?
B7' B6' B10' B8' 36.6(3) . . . . ?
B7' B6' B10' B9' 99.3(3) . . . . ?
B7' B6' B10' B10' -112.7(5) . . . 3_656 ?
B7' B8' B9' C1' -60.8(3) . . . . ?
B7' B8' B9' B4' -100.6(3) . . . . ?
B7' B8' B9' B5' 0.9(4) . . . . ?
B7' B8' B9' B10' 39.0(3) . . . . ?
B7' B8' B10' B5' -99.0(3) . . . . ?
B7' B8' B10' B6' -36.6(3) . . . . ?
B7' B8' B10' B9' -136.8(3) . . . . ?
B7' B8' B10' B10' 113.0(4) . . . 3_656 ?
B8' B3' B4' C1' -99.7(3) . . . . ?
B8' B3' B4' C2' -134.4(3) . . . . ?
B8' B3' B4' B9' -38.4(3) . . . . ?
B8' B3' B7' B2' 138.5(3) . . . . ?
B8' B3' B7' B6' 101.3(3) . . . . ?
B8' B3' B7' B10' 37.2(3) . . . . ?
B8' B4' B9' C1' -134.2(3) . . . . ?
B8' B4' B9' B5' -100.5(3) . . . . ?
B8' B4' B9' B10' -36.4(3) . . . . ?
B8' B7' B10' B5' 100.7(3) . . . . ?
B8' B7' B10' B6' 138.4(3) . . . . ?
B8' B7' B10' B9' 38.1(3) . . . . ?
B8' B7' B10' B10' -110.3(5) . . . 3_656 ?
B8' B9' B10' B5' -137.5(3) . . . . ?
B8' B9' B10' B6' -99.8(3) . . . . ?
B8' B9' B10' B7' -37.8(3) . . . . ?
B8' B9' B10' B10' 111.5(4) . . . 3_656 ?
B9' C1' C2' C3' -146.5(3) . . . . ?
B9' C1' C2' B1' 106.3(3) . . . . ?
B9' C1' C2' B2' 67.4(4) . . . . ?
B9' C1' C2' B3' 0.0(4) . . . . ?
B9' C1' C2' B4' -38.4(3) . . . . ?
B9' C1' C4' C5' 171.5(4) . . . . ?
B9' C1' B1' C2' -102.5(3) . . . . ?
B9' C1' B1' B2' -67.0(3) . . . . ?
B9' C1' B1' B5' 36.2(3) . . . . ?
B9' C1' B1' B6' -4.5(4) . . . . ?
B9' C1' B4' C2' 139.0(3) . . . . ?
B9' C1' B4' B3' 103.3(3) . . . . ?
B9' C1' B4' B8' 40.3(3) . . . . ?
B9' C1' B5' B1' -142.4(3) . . . . ?
B9' C1' B5' B6' -102.2(3) . . . . ?
B9' C1' B5' B10' -39.2(3) . . . . ?
B9' B4' B8' B3' 137.4(3) . . . . ?
B9' B4' B8' B7' 100.9(3) . . . . ?
B9' B4' B8' B10' 36.4(3) . . . . ?
B9' B5' B6' B1' -101.2(3) . . . . ?
B9' B5' B6' B2' -63.4(4) . . . . ?
B9' B5' B6' B7' -0.3(3) . . . . ?
B9' B5' B6' B10' 38.1(2) . . . . ?
B9' B5' B10' B6' -137.2(3) . . . . ?
B9' B5' B10' B7' -99.7(3) . . . . ?
B9' B5' B10' B8' -37.7(3) . . . . ?
B9' B5' B10' B10' 110.5(4) . . . 3_656 ?
B9' B8' B10' B5' 37.7(3) . . . . ?
B9' B8' B10' B6' 100.2(3) . . . . ?
B9' B8' B10' B7' 136.8(3) . . . . ?
B9' B8' B10' B10' -110.3(5) . . . 3_656 ?
B10' B5' B6' B1' -139.3(3) . . . . ?
B10' B5' B6' B2' -101.5(3) . . . . ?
B10' B5' B6' B7' -38.3(2) . . . . ?
B10' B5' B9' C1' 135.1(3) . . . . ?
B10' B5' B9' B4' 101.1(3) . . . . ?
B10' B5' B9' B8' 38.1(2) . . . . ?
B10' B6' B7' B2' -138.5(3) . . . . ?
B10' B6' B7' B3' -101.3(3) . . . . ?
B10' B6' B7' B8' -37.3(3) . . . . ?
B10' B7' B8' B3' -138.5(3) . . . . ?
B10' B7' B8' B4' -102.0(3) . . . . ?
B10' B7' B8' B9' -38.6(3) . . . . ?
B10' B8' B9' C1' -99.8(3) . . . . ?
B10' B8' B9' B4' -139.6(3) . . . . ?
B10' B8' B9' B5' -38.1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.360
_oxdiff_exptl_absorpt_empirical_full_min 0.868
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.560(6)
2 0.440(6)

####################################################################### 
# 
# 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_20230490_auto
_database_code_depnum_ccdc_archive 'CCDC 2268202'
loop_
_audit_author_name
_audit_author_address
mayanna
;Zhengzhou University
China
;
_audit_update_record             
;
2023-06-07 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_audit_creation_date             2023-04-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H54 B20 Si4'
_chemical_formula_sum            'C16 H54 B20 Si4'
_chemical_formula_weight         575.15
_chemical_melting_point          ?
_chemical_oxdiff_formula         C20H20N2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2397(4)
_cell_length_b                   17.1741(7)
_cell_length_c                   12.2399(5)
_cell_angle_alpha                90
_cell_angle_beta                 109.520(5)
_cell_angle_gamma                90
_cell_volume                     1830.63(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3180
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.2630
_cell_measurement_theta_min      4.6030
_shelx_estimated_absorpt_T_max   0.860
_shelx_estimated_absorpt_T_min   0.812
_exptl_absorpt_coefficient_mu    1.550
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.043
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6630
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.079
_diffrn_reflns_theta_max         67.079
_diffrn_reflns_theta_min         4.617
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00  36.00   1.00    2.50    --  -33.50  77.00  60.00   98
  2  ω   -108.00 -35.00   1.00    2.50    --  -33.50 178.00-150.00   73
  3  ω    -52.00  35.00   1.00    2.50    --  -33.50  57.00 150.00   87
  4  ω     61.00 106.00   1.00    2.50    --   36.47 178.00 -60.00   45
  5  ω     80.00 106.00   1.00    2.50    --   36.47 178.00  60.00   26
  6  ω    106.00 164.00   1.00    7.00    --  108.00 111.00  60.00   58
  7  ω    131.00 169.00   1.00    7.00    --  108.00  30.00 150.00   38
  8  ω    108.00 142.00   1.00    7.00    --  108.00 178.00  60.00   34
  9  ω     82.00 111.00   1.00    7.00    --  108.00  30.00 150.00   29
 10  ω     95.00 121.00   1.00    7.00    --  108.00 -30.00 -30.00   26
 11  ω     78.00 107.00   1.00    7.00    --  108.00 -94.00-150.00   29
 12  ω     63.00  99.00   1.00    7.00    --  108.00 -92.00 151.00   36
 13  ω     67.00 102.00   1.00    7.00    --  108.00-111.00   0.00   35
 14  ω     83.00 178.00   1.00    7.00    --  108.00  15.00  60.00   95
 15  ω     39.00  69.00   1.00    7.00    --  108.00 -94.00-150.00   30
 16  ω     40.00  87.00   1.00    7.00    --  108.00-111.00 150.00   47
 17  ω     83.00 137.00   1.00    7.00    --  108.00 -77.00 -30.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1037747000
_diffrn_orient_matrix_UB_12      -0.0726878000
_diffrn_orient_matrix_UB_13      -0.0243846000
_diffrn_orient_matrix_UB_21      0.1030700000
_diffrn_orient_matrix_UB_22      -0.0390003000
_diffrn_orient_matrix_UB_23      -0.0604266000
_diffrn_orient_matrix_UB_31      0.0993662000
_diffrn_orient_matrix_UB_32      -0.0354249000
_diffrn_orient_matrix_UB_33      0.1165689000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2700
_reflns_number_total             3267
_reflns_odcompleteness_completeness 99.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.253
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         3267
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0491
_refine_ls_restrained_S_all      1.053
_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)+(0.0863P)²+0.0105P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1294
_refine_ls_wR_factor_ref         0.1406
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C8(H8A,H8B,H8C)
2.b Boron cage BH refined with riding coordinates:
 B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Si1 Si 0.44414(6) 0.27947(3) 0.71115(5) 0.04463(19) Uani 1 1 d . . . . .
Si2 Si 0.78864(7) 0.39123(4) 0.64628(5) 0.0557(2) Uani 1 1 d . . . . .
C1 C 0.54600(19) 0.37313(10) 0.78484(14) 0.0330(4) Uani 1 1 d . . . . .
C2 C 0.6894(2) 0.42280(11) 0.75510(15) 0.0380(4) Uani 1 1 d . . . . .
C3 C 0.2881(3) 0.30828(15) 0.5756(2) 0.0630(6) Uani 1 1 d . . . . .
H3A H 0.3321 0.3228 0.5178 0.094 Uiso 1 1 calc GR . . . .
H3B H 0.2325 0.3516 0.5914 0.094 Uiso 1 1 calc GR . . . .
H3C H 0.2194 0.2652 0.5479 0.094 Uiso 1 1 calc GR . . . .
C4 C 0.3551(3) 0.23341(15) 0.8108(2) 0.0695(7) Uani 1 1 d . . . . .
H4A H 0.3021 0.2723 0.8392 0.104 Uiso 1 1 calc GR . . . .
H4B H 0.4337 0.2100 0.8748 0.104 Uiso 1 1 calc GR . . . .
H4C H 0.2837 0.1941 0.7697 0.104 Uiso 1 1 calc GR . . . .
C5 C 0.5784(3) 0.20686(14) 0.6868(3) 0.0717(7) Uani 1 1 d . . . . .
H5A H 0.6586 0.1963 0.7587 0.108 Uiso 1 1 calc GR . . . .
H5B H 0.6225 0.2270 0.6318 0.108 Uiso 1 1 calc GR . . . .
H5C H 0.5238 0.1596 0.6572 0.108 Uiso 1 1 calc GR . . . .
C6 C 0.6454(3) 0.36268(18) 0.5049(2) 0.0748(8) Uani 1 1 d . . . . .
H6A H 0.6967 0.3537 0.4496 0.112 Uiso 1 1 calc GR . . . .
H6B H 0.5715 0.4037 0.4776 0.112 Uiso 1 1 calc GR . . . .
H6C H 0.5941 0.3159 0.5146 0.112 Uiso 1 1 calc GR . . . .
C7 C 0.9304(3) 0.3127(2) 0.7112(3) 0.0838(9) Uani 1 1 d . . . . .
H7A H 1.0096 0.3326 0.7781 0.126 Uiso 1 1 calc GR . . . .
H7B H 0.9752 0.2951 0.6552 0.126 Uiso 1 1 calc GR . . . .
H7C H 0.8796 0.2700 0.7338 0.126 Uiso 1 1 calc GR . . . .
C8 C 0.8958(4) 0.4771(2) 0.6204(3) 0.0965(11) Uani 1 1 d . . . . .
H8A H 0.9510 0.4626 0.5695 0.145 Uiso 1 1 calc GR . . . .
H8B H 0.9669 0.4948 0.6928 0.145 Uiso 1 1 calc GR . . . .
H8C H 0.8248 0.5181 0.5854 0.145 Uiso 1 1 calc GR . . . .
B1 B 0.5400(2) 0.48559(12) 0.95064(16) 0.0370(4) Uani 1 1 d . . . . .
B2 B 0.5664(2) 0.38496(12) 0.92892(17) 0.0356(4) Uani 1 1 d . . . . .
H2 H 0.5337 0.3404 0.9809 0.043 Uiso 1 1 calc R . . . .
B3 B 0.4274(2) 0.43797(12) 0.81974(16) 0.0355(4) Uani 1 1 d . . . . .
H3 H 0.3036 0.4280 0.7998 0.043 Uiso 1 1 calc R . . . .
B4 B 0.5021(3) 0.53211(12) 0.81220(18) 0.0416(5) Uani 1 1 d . . . . .
H4 H 0.4276 0.5837 0.7875 0.050 Uiso 1 1 calc R . . . .
B5 B 0.6894(3) 0.53641(14) 0.9188(2) 0.0471(5) Uani 1 1 d . . . . .
H5 H 0.7369 0.5908 0.9641 0.057 Uiso 1 1 calc R . . . .
B6 B 0.7294(2) 0.44441(14) 0.98946(17) 0.0432(5) Uani 1 1 d . . . . .
H6 H 0.8036 0.4386 1.0804 0.052 Uiso 1 1 calc R . . . .
B7 B 0.5057(2) 0.45946(12) 0.70908(16) 0.0379(4) Uani 1 1 d . . . . .
H7 H 0.4344 0.4627 0.6171 0.046 Uiso 1 1 calc R . . . .
B8 B 0.6662(3) 0.52102(13) 0.77001(19) 0.0459(5) Uani 1 1 d . . . . .
H8 H 0.6987 0.5656 0.7179 0.055 Uiso 1 1 calc R . . . .
B9 B 0.8058(3) 0.46741(15) 0.87857(19) 0.0469(5) Uani 1 1 d . . . . .
H9 H 0.9295 0.4769 0.8973 0.056 Uiso 1 1 calc R . . . .
B10 B 0.7284(2) 0.37312(13) 0.88347(17) 0.0395(5) Uani 1 1 d . . . . .
H10 H 0.8004 0.3205 0.9039 0.047 Uiso 1 1 calc R . . . .


_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
Si1 C1 1.9286(17) . ?
Si1 C3 1.864(2) . ?
Si1 C4 1.860(2) . ?
Si1 C5 1.852(2) . ?
Si2 C2 1.9302(18) . ?
Si2 C6 1.859(3) . ?
Si2 C7 1.863(3) . ?
Si2 C8 1.861(3) . ?
C1 C2 1.714(2) . ?
C1 B2 1.722(2) . ?
C1 B3 1.714(2) . ?
C1 B7 1.722(3) . ?
C1 B10 1.714(2) . ?
C2 B7 1.719(3) . ?
C2 B8 1.718(3) . ?
C2 B9 1.715(3) . ?
C2 B10 1.717(3) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
B1 B1 1.687(4) 3_667 ?
B1 B2 1.778(3) . ?
B1 B3 1.790(3) . ?
B1 B4 1.799(3) . ?
B1 B5 1.783(3) . ?
B1 B6 1.798(3) . ?
B2 H2 1.1000 . ?
B2 B3 1.765(3) . ?
B2 B6 1.765(3) . ?
B2 B10 1.774(3) . ?
B3 H3 1.1000 . ?
B3 B4 1.772(3) . ?
B3 B7 1.775(3) . ?
B4 H4 1.1000 . ?
B4 B5 1.787(3) . ?
B4 B7 1.783(3) . ?
B4 B8 1.768(3) . ?
B5 H5 1.1000 . ?
B5 B6 1.780(3) . ?
B5 B8 1.781(3) . ?
B5 B9 1.777(3) . ?
B6 H6 1.1000 . ?
B6 B9 1.771(3) . ?
B6 B10 1.782(3) . ?
B7 H7 1.1000 . ?
B7 B8 1.771(3) . ?
B8 H8 1.1000 . ?
B8 B9 1.770(3) . ?
B9 H9 1.1000 . ?
B9 B10 1.780(3) . ?
B10 H10 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
C3 Si1 C1 107.83(9) . . ?
C4 Si1 C1 107.56(10) . . ?
C4 Si1 C3 108.44(12) . . ?
C5 Si1 C1 112.85(10) . . ?
C5 Si1 C3 113.32(12) . . ?
C5 Si1 C4 106.62(13) . . ?
C6 Si2 C2 111.20(10) . . ?
C6 Si2 C7 112.75(15) . . ?
C6 Si2 C8 107.71(15) . . ?
C7 Si2 C2 109.72(10) . . ?
C8 Si2 C2 107.32(12) . . ?
C8 Si2 C7 107.91(16) . . ?
C2 C1 Si1 127.36(11) . . ?
C2 C1 B2 109.33(13) . . ?
C2 C1 B7 60.03(11) . . ?
B2 C1 Si1 116.53(11) . . ?
B2 C1 B7 112.33(13) . . ?
B3 C1 Si1 113.94(11) . . ?
B3 C1 C2 109.49(13) . . ?
B3 C1 B2 61.85(10) . . ?
B3 C1 B7 62.20(11) . . ?
B3 C1 B10 112.62(14) . . ?
B7 C1 Si1 118.83(11) . . ?
B10 C1 Si1 122.72(12) . . ?
B10 C1 C2 60.12(10) . . ?
B10 C1 B2 62.18(11) . . ?
B10 C1 B7 111.36(14) . . ?
C1 C2 Si2 125.87(12) . . ?
C1 C2 B7 60.22(10) . . ?
C1 C2 B8 109.50(14) . . ?
C1 C2 B9 109.70(13) . . ?
C1 C2 B10 59.94(10) . . ?
B7 C2 Si2 121.43(11) . . ?
B8 C2 Si2 116.99(12) . . ?
B8 C2 B7 62.02(12) . . ?
B9 C2 Si2 115.50(12) . . ?
B9 C2 B7 112.65(15) . . ?
B9 C2 B8 62.06(13) . . ?
B9 C2 B10 62.47(12) . . ?
B10 C2 Si2 119.28(12) . . ?
B10 C2 B7 111.36(13) . . ?
B10 C2 B8 112.72(14) . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
B1 B1 B2 120.5(2) 3_667 . ?
B1 B1 B3 120.84(19) 3_667 . ?
B1 B1 B4 123.39(19) 3_667 . ?
B1 B1 B5 124.7(2) 3_667 . ?
B1 B1 B6 123.12(18) 3_667 . ?
B2 B1 B3 59.32(11) . . ?
B2 B1 B4 106.51(13) . . ?
B2 B1 B5 106.75(15) . . ?
B2 B1 B6 59.14(11) . . ?
B3 B1 B4 59.19(11) . . ?
B3 B1 B6 106.26(14) . . ?
B5 B1 B3 106.79(14) . . ?
B5 B1 B4 59.85(12) . . ?
B5 B1 B6 59.60(13) . . ?
B6 B1 B4 106.82(14) . . ?
C1 B2 B1 107.11(13) . . ?
C1 B2 H2 123.6 . . ?
C1 B2 B3 58.84(10) . . ?
C1 B2 B6 106.51(14) . . ?
C1 B2 B10 58.69(10) . . ?
B1 B2 H2 120.8 . . ?
B3 B2 B1 60.68(11) . . ?
B3 B2 H2 121.7 . . ?
B3 B2 B10 107.35(14) . . ?
B6 B2 B1 61.01(12) . . ?
B6 B2 H2 121.3 . . ?
B6 B2 B3 108.80(14) . . ?
B6 B2 B10 60.45(12) . . ?
B10 B2 B1 109.31(15) . . ?
B10 B2 H2 121.7 . . ?
C1 B3 B1 106.94(13) . . ?
C1 B3 B2 59.31(10) . . ?
C1 B3 H3 123.2 . . ?
C1 B3 B4 106.69(14) . . ?
C1 B3 B7 59.14(11) . . ?
B1 B3 H3 121.3 . . ?
B2 B3 B1 60.00(11) . . ?
B2 B3 H3 121.8 . . ?
B2 B3 B4 108.21(14) . . ?
B2 B3 B7 107.82(14) . . ?
B4 B3 B1 60.66(11) . . ?
B4 B3 H3 121.6 . . ?
B4 B3 B7 60.35(12) . . ?
B7 B3 B1 108.97(14) . . ?
B7 B3 H3 121.4 . . ?
B1 B4 H4 121.5 . . ?
B3 B4 B1 60.15(11) . . ?
B3 B4 H4 122.0 . . ?
B3 B4 B5 107.37(15) . . ?
B3 B4 B7 59.88(11) . . ?
B5 B4 B1 59.64(12) . . ?
B5 B4 H4 122.1 . . ?
B7 B4 B1 108.19(14) . . ?
B7 B4 H4 121.8 . . ?
B7 B4 B5 107.65(15) . . ?
B8 B4 B1 108.15(15) . . ?
B8 B4 B3 107.69(15) . . ?
B8 B4 H4 121.7 . . ?
B8 B4 B5 60.13(12) . . ?
B8 B4 B7 59.81(12) . . ?
B1 B5 B4 60.51(12) . . ?
B1 B5 H5 120.9 . . ?
B4 B5 H5 121.9 . . ?
B6 B5 B1 60.63(12) . . ?
B6 B5 B4 108.14(15) . . ?
B6 B5 H5 121.7 . . ?
B6 B5 B8 107.43(16) . . ?
B8 B5 B1 108.28(15) . . ?
B8 B5 B4 59.41(13) . . ?
B8 B5 H5 122.2 . . ?
B9 B5 B1 108.59(16) . . ?
B9 B5 B4 107.36(15) . . ?
B9 B5 H5 122.0 . . ?
B9 B5 B6 59.73(13) . . ?
B9 B5 B8 59.64(13) . . ?
B1 B6 H6 121.7 . . ?
B2 B6 B1 59.85(11) . . ?
B2 B6 B5 107.46(14) . . ?
B2 B6 H6 121.9 . . ?
B2 B6 B9 108.07(14) . . ?
B2 B6 B10 60.03(11) . . ?
B5 B6 B1 59.78(12) . . ?
B5 B6 H6 122.0 . . ?
B5 B6 B10 107.85(15) . . ?
B9 B6 B1 108.17(15) . . ?
B9 B6 B5 60.06(13) . . ?
B9 B6 H6 121.5 . . ?
B9 B6 B10 60.12(12) . . ?
B10 B6 B1 108.05(13) . . ?
B10 B6 H6 121.7 . . ?
C1 B7 B3 58.66(10) . . ?
C1 B7 B4 105.85(13) . . ?
C1 B7 H7 122.9 . . ?
C1 B7 B8 106.69(14) . . ?
C2 B7 C1 59.74(10) . . ?
C2 B7 B3 106.46(13) . . ?
C2 B7 B4 105.91(14) . . ?
C2 B7 H7 122.9 . . ?
C2 B7 B8 58.95(12) . . ?
B3 B7 B4 59.76(11) . . ?
B3 B7 H7 122.3 . . ?
B4 B7 H7 122.8 . . ?
B8 B7 B3 107.48(14) . . ?
B8 B7 B4 59.67(12) . . ?
B8 B7 H7 122.1 . . ?
C2 B8 B4 106.63(14) . . ?
C2 B8 B5 106.13(15) . . ?
C2 B8 B7 59.02(11) . . ?
C2 B8 H8 123.6 . . ?
C2 B8 B9 58.90(12) . . ?
B4 B8 B5 60.46(13) . . ?
B4 B8 B7 60.51(12) . . ?
B4 B8 H8 121.4 . . ?
B4 B8 B9 108.54(15) . . ?
B5 B8 H8 121.8 . . ?
B7 B8 B5 108.47(15) . . ?
B7 B8 H8 121.5 . . ?
B9 B8 B5 60.07(13) . . ?
B9 B8 B7 107.67(15) . . ?
B9 B8 H8 121.7 . . ?
C2 B9 B5 106.40(15) . . ?
C2 B9 B6 106.38(14) . . ?
C2 B9 B8 59.04(12) . . ?
C2 B9 H9 123.5 . . ?
C2 B9 B10 58.82(11) . . ?
B5 B9 H9 121.8 . . ?
B5 B9 B10 108.05(15) . . ?
B6 B9 B5 60.20(13) . . ?
B6 B9 H9 121.7 . . ?
B6 B9 B10 60.22(13) . . ?
B8 B9 B5 60.28(13) . . ?
B8 B9 B6 108.31(16) . . ?
B8 B9 H9 121.7 . . ?
B8 B9 B10 107.35(15) . . ?
B10 B9 H9 121.9 . . ?
C1 B10 C2 59.94(10) . . ?
C1 B10 B2 59.14(10) . . ?
C1 B10 B6 106.12(14) . . ?
C1 B10 B9 106.74(15) . . ?
C1 B10 H10 122.6 . . ?
C2 B10 B2 106.80(13) . . ?
C2 B10 B6 105.86(15) . . ?
C2 B10 B9 58.72(12) . . ?
C2 B10 H10 122.8 . . ?
B2 B10 B6 59.52(11) . . ?
B2 B10 B9 107.29(15) . . ?
B2 B10 H10 122.2 . . ?
B6 B10 H10 122.9 . . ?
B9 B10 B6 59.66(13) . . ?
B9 B10 H10 122.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1 C1 C2 Si2 -4.0(2) . . . . ?
Si1 C1 C2 B7 105.08(15) . . . . ?
Si1 C1 C2 B8 144.19(13) . . . . ?
Si1 C1 C2 B9 -149.46(14) . . . . ?
Si1 C1 C2 B10 -110.23(16) . . . . ?
Si1 C1 B2 B1 -142.61(12) . . . . ?
Si1 C1 B2 B3 -104.32(13) . . . . ?
Si1 C1 B2 B6 153.34(12) . . . . ?
Si1 C1 B2 B10 114.82(14) . . . . ?
Si1 C1 B3 B1 146.40(12) . . . . ?
Si1 C1 B3 B2 108.46(13) . . . . ?
Si1 C1 B3 B4 -149.92(11) . . . . ?
Si1 C1 B3 B7 -111.25(13) . . . . ?
Si1 C1 B7 C2 -118.83(13) . . . . ?
Si1 C1 B7 B3 103.50(13) . . . . ?
Si1 C1 B7 B4 141.71(13) . . . . ?
Si1 C1 B7 B8 -155.86(12) . . . . ?
Si1 C1 B10 C2 117.56(14) . . . . ?
Si1 C1 B10 B2 -105.14(14) . . . . ?
Si1 C1 B10 B6 -143.15(13) . . . . ?
Si1 C1 B10 B9 154.38(13) . . . . ?
Si2 C2 B7 C1 116.20(15) . . . . ?
Si2 C2 B7 B3 153.05(12) . . . . ?
Si2 C2 B7 B4 -144.45(13) . . . . ?
Si2 C2 B7 B8 -106.12(15) . . . . ?
Si2 C2 B8 B4 151.97(12) . . . . ?
Si2 C2 B8 B5 -144.73(13) . . . . ?
Si2 C2 B8 B7 113.08(14) . . . . ?
Si2 C2 B8 B9 -106.07(14) . . . . ?
Si2 C2 B9 B5 147.25(13) . . . . ?
Si2 C2 B9 B6 -149.71(14) . . . . ?
Si2 C2 B9 B8 108.43(15) . . . . ?
Si2 C2 B9 B10 -111.25(14) . . . . ?
Si2 C2 B10 C1 -116.85(14) . . . . ?
Si2 C2 B10 B2 -154.30(12) . . . . ?
Si2 C2 B10 B6 143.41(13) . . . . ?
Si2 C2 B10 B9 105.33(15) . . . . ?
C1 C2 B7 B3 36.85(12) . . . . ?
C1 C2 B7 B4 99.34(14) . . . . ?
C1 C2 B7 B8 137.68(14) . . . . ?
C1 C2 B8 B4 0.57(18) . . . . ?
C1 C2 B8 B5 63.88(18) . . . . ?
C1 C2 B8 B7 -38.31(13) . . . . ?
C1 C2 B8 B9 102.53(14) . . . . ?
C1 C2 B9 B5 -63.38(18) . . . . ?
C1 C2 B9 B6 -0.3(2) . . . . ?
C1 C2 B9 B8 -102.20(15) . . . . ?
C1 C2 B9 B10 38.12(14) . . . . ?
C1 C2 B10 B2 -37.45(13) . . . . ?
C1 C2 B10 B6 -99.74(15) . . . . ?
C1 C2 B10 B9 -137.82(15) . . . . ?
C1 B2 B3 B1 -137.22(15) . . . . ?
C1 B2 B3 B4 -98.99(15) . . . . ?
C1 B2 B3 B7 -35.18(13) . . . . ?
C1 B2 B6 B1 100.76(14) . . . . ?
C1 B2 B6 B5 63.22(18) . . . . ?
C1 B2 B6 B9 -0.19(19) . . . . ?
C1 B2 B6 B10 -37.71(13) . . . . ?
C1 B2 B10 C2 37.82(13) . . . . ?
C1 B2 B10 B6 136.65(15) . . . . ?
C1 B2 B10 B9 99.52(15) . . . . ?
C1 B3 B4 B1 -100.39(14) . . . . ?
C1 B3 B4 B5 -62.60(17) . . . . ?
C1 B3 B4 B7 38.11(12) . . . . ?
C1 B3 B4 B8 0.79(18) . . . . ?
C1 B3 B7 C2 -37.34(12) . . . . ?
C1 B3 B7 B4 -136.47(14) . . . . ?
C1 B3 B7 B8 -99.25(15) . . . . ?
C1 B7 B8 C2 37.39(12) . . . . ?
C1 B7 B8 B4 -98.91(15) . . . . ?
C1 B7 B8 B5 -60.72(19) . . . . ?
C1 B7 B8 B9 2.82(19) . . . . ?
C2 C1 B2 B1 64.02(16) . . . . ?
C2 C1 B2 B3 102.31(14) . . . . ?
C2 C1 B2 B6 -0.03(18) . . . . ?
C2 C1 B2 B10 -38.55(13) . . . . ?
C2 C1 B3 B1 -64.12(16) . . . . ?
C2 C1 B3 B2 -102.06(14) . . . . ?
C2 C1 B3 B4 -0.44(17) . . . . ?
C2 C1 B3 B7 38.23(12) . . . . ?
C2 C1 B7 B3 -137.67(14) . . . . ?
C2 C1 B7 B4 -99.46(15) . . . . ?
C2 C1 B7 B8 -37.03(13) . . . . ?
C2 C1 B10 B2 137.30(14) . . . . ?
C2 C1 B10 B6 99.29(16) . . . . ?
C2 C1 B10 B9 36.82(13) . . . . ?
C2 B7 B8 B4 -136.29(15) . . . . ?
C2 B7 B8 B5 -98.11(17) . . . . ?
C2 B7 B8 B9 -34.57(14) . . . . ?
C2 B8 B9 B5 -136.18(16) . . . . ?
C2 B8 B9 B6 -98.51(16) . . . . ?
C2 B8 B9 B10 -34.91(14) . . . . ?
C2 B9 B10 C1 -37.36(13) . . . . ?
C2 B9 B10 B2 -99.50(14) . . . . ?
C2 B9 B10 B6 -136.57(15) . . . . ?
B1 B1 B2 C1 147.49(19) 3_667 . . . ?
B1 B1 B2 B3 110.0(2) 3_667 . . . ?
B1 B1 B2 B6 -112.8(2) 3_667 . . . ?
B1 B1 B2 B10 -150.44(19) 3_667 . . . ?
B1 B1 B3 C1 -147.1(2) 3_667 . . . ?
B1 B1 B3 B2 -109.4(2) 3_667 . . . ?
B1 B1 B3 B4 113.0(2) 3_667 . . . ?
B1 B1 B3 B7 150.5(2) 3_667 . . . ?
B1 B1 B4 B3 -108.8(2) 3_667 . . . ?
B1 B1 B4 B5 113.9(2) 3_667 . . . ?
B1 B1 B4 B7 -145.9(2) 3_667 . . . ?
B1 B1 B4 B8 150.8(2) 3_667 . . . ?
B1 B1 B5 B4 -111.8(2) 3_667 . . . ?
B1 B1 B5 B6 111.4(2) 3_667 . . . ?
B1 B1 B5 B8 -148.5(2) 3_667 . . . ?
B1 B1 B5 B9 148.3(2) 3_667 . . . ?
B1 B1 B6 B2 108.4(2) 3_667 . . . ?
B1 B1 B6 B5 -113.9(2) 3_667 . . . ?
B1 B1 B6 B9 -150.8(2) 3_667 . . . ?
B1 B1 B6 B10 145.6(2) 3_667 . . . ?
B1 B2 B3 C1 137.22(15) . . . . ?
B1 B2 B3 B4 38.22(14) . . . . ?
B1 B2 B3 B7 102.04(15) . . . . ?
B1 B2 B6 B5 -37.54(14) . . . . ?
B1 B2 B6 B9 -100.95(16) . . . . ?
B1 B2 B6 B10 -138.47(14) . . . . ?
B1 B2 B10 C1 -98.73(15) . . . . ?
B1 B2 B10 C2 -60.92(18) . . . . ?
B1 B2 B10 B6 37.91(13) . . . . ?
B1 B2 B10 B9 0.78(18) . . . . ?
B1 B3 B4 B5 37.79(14) . . . . ?
B1 B3 B4 B7 138.50(15) . . . . ?
B1 B3 B4 B8 101.18(16) . . . . ?
B1 B3 B7 C1 98.83(14) . . . . ?
B1 B3 B7 C2 61.49(17) . . . . ?
B1 B3 B7 B4 -37.64(13) . . . . ?
B1 B3 B7 B8 -0.43(19) . . . . ?
B1 B4 B5 B6 38.90(14) . . . . ?
B1 B4 B5 B8 138.83(16) . . . . ?
B1 B4 B5 B9 101.95(17) . . . . ?
B1 B4 B7 C1 -0.48(19) . . . . ?
B1 B4 B7 C2 -62.85(18) . . . . ?
B1 B4 B7 B3 37.22(13) . . . . ?
B1 B4 B7 B8 -100.84(16) . . . . ?
B1 B4 B8 C2 62.73(18) . . . . ?
B1 B4 B8 B5 -36.71(14) . . . . ?
B1 B4 B8 B7 100.92(15) . . . . ?
B1 B4 B8 B9 0.7(2) . . . . ?
B1 B5 B6 B2 37.57(14) . . . . ?
B1 B5 B6 B9 138.77(15) . . . . ?
B1 B5 B6 B10 100.90(15) . . . . ?
B1 B5 B8 C2 -63.2(2) . . . . ?
B1 B5 B8 B4 37.12(15) . . . . ?
B1 B5 B8 B7 -1.1(2) . . . . ?
B1 B5 B8 B9 -101.28(17) . . . . ?
B1 B5 B9 C2 62.51(19) . . . . ?
B1 B5 B9 B6 -37.30(14) . . . . ?
B1 B5 B9 B8 100.75(16) . . . . ?
B1 B5 B9 B10 0.7(2) . . . . ?
B1 B6 B9 C2 -63.00(19) . . . . ?
B1 B6 B9 B5 36.83(14) . . . . ?
B1 B6 B9 B8 -0.9(2) . . . . ?
B1 B6 B9 B10 -100.81(15) . . . . ?
B1 B6 B10 C1 0.75(19) . . . . ?
B1 B6 B10 C2 63.37(17) . . . . ?
B1 B6 B10 B2 -37.08(13) . . . . ?
B1 B6 B10 B9 101.02(16) . . . . ?
B2 C1 C2 Si2 145.66(12) . . . . ?
B2 C1 C2 B7 -105.22(14) . . . . ?
B2 C1 C2 B8 -66.11(16) . . . . ?
B2 C1 C2 B9 0.24(19) . . . . ?
B2 C1 C2 B10 39.47(14) . . . . ?
B2 C1 B3 B1 37.94(13) . . . . ?
B2 C1 B3 B4 101.62(14) . . . . ?
B2 C1 B3 B7 140.29(14) . . . . ?
B2 C1 B7 C2 100.16(14) . . . . ?
B2 C1 B7 B3 -37.51(13) . . . . ?
B2 C1 B7 B4 0.69(19) . . . . ?
B2 C1 B7 B8 63.12(18) . . . . ?
B2 C1 B10 C2 -137.30(14) . . . . ?
B2 C1 B10 B6 -38.01(13) . . . . ?
B2 C1 B10 B9 -100.48(16) . . . . ?
B2 B1 B3 C1 -37.63(13) . . . . ?
B2 B1 B3 B4 -137.60(15) . . . . ?
B2 B1 B3 B7 -100.09(15) . . . . ?
B2 B1 B4 B3 37.22(13) . . . . ?
B2 B1 B4 B5 -100.11(16) . . . . ?
B2 B1 B4 B7 0.11(19) . . . . ?
B2 B1 B4 B8 -63.19(18) . . . . ?
B2 B1 B5 B4 99.69(15) . . . . ?
B2 B1 B5 B6 -37.09(13) . . . . ?
B2 B1 B5 B8 63.05(19) . . . . ?
B2 B1 B5 B9 -0.17(19) . . . . ?
B2 B1 B6 B5 137.73(15) . . . . ?
B2 B1 B6 B9 100.77(16) . . . . ?
B2 B1 B6 B10 37.16(14) . . . . ?
B2 B3 B4 B1 -37.93(13) . . . . ?
B2 B3 B4 B5 -0.14(19) . . . . ?
B2 B3 B4 B7 100.58(15) . . . . ?
B2 B3 B4 B8 63.25(17) . . . . ?
B2 B3 B7 C1 35.25(13) . . . . ?
B2 B3 B7 C2 -2.09(18) . . . . ?
B2 B3 B7 B4 -101.22(15) . . . . ?
B2 B3 B7 B8 -64.01(18) . . . . ?
B2 B6 B9 C2 0.3(2) . . . . ?
B2 B6 B9 B5 100.15(16) . . . . ?
B2 B6 B9 B8 62.5(2) . . . . ?
B2 B6 B9 B10 -37.49(14) . . . . ?
B2 B6 B10 C1 37.83(13) . . . . ?
B2 B6 B10 C2 100.45(14) . . . . ?
B2 B6 B10 B9 138.10(15) . . . . ?
B3 C1 C2 Si2 -148.31(12) . . . . ?
B3 C1 C2 B7 -39.19(12) . . . . ?
B3 C1 C2 B8 -0.08(17) . . . . ?
B3 C1 C2 B9 66.27(17) . . . . ?
B3 C1 C2 B10 105.50(15) . . . . ?
B3 C1 B2 B1 -38.29(13) . . . . ?
B3 C1 B2 B6 -102.34(15) . . . . ?
B3 C1 B2 B10 -140.86(15) . . . . ?
B3 C1 B7 C2 137.67(14) . . . . ?
B3 C1 B7 B4 38.21(13) . . . . ?
B3 C1 B7 B8 100.64(15) . . . . ?
B3 C1 B10 C2 -100.22(15) . . . . ?
B3 C1 B10 B2 37.08(14) . . . . ?
B3 C1 B10 B6 -0.93(19) . . . . ?
B3 C1 B10 B9 -63.40(18) . . . . ?
B3 B1 B2 C1 37.46(13) . . . . ?
B3 B1 B2 B6 137.20(15) . . . . ?
B3 B1 B2 B10 99.53(15) . . . . ?
B3 B1 B4 B5 -137.33(16) . . . . ?
B3 B1 B4 B7 -37.11(14) . . . . ?
B3 B1 B4 B8 -100.41(16) . . . . ?
B3 B1 B5 B4 37.45(14) . . . . ?
B3 B1 B5 B6 -99.33(15) . . . . ?
B3 B1 B5 B8 0.8(2) . . . . ?
B3 B1 B5 B9 -62.42(18) . . . . ?
B3 B1 B6 B2 -37.49(13) . . . . ?
B3 B1 B6 B5 100.23(15) . . . . ?
B3 B1 B6 B9 63.28(18) . . . . ?
B3 B1 B6 B10 -0.33(19) . . . . ?
B3 B2 B6 B1 38.74(13) . . . . ?
B3 B2 B6 B5 1.2(2) . . . . ?
B3 B2 B6 B9 -62.21(19) . . . . ?
B3 B2 B6 B10 -99.73(15) . . . . ?
B3 B2 B10 C1 -34.46(13) . . . . ?
B3 B2 B10 C2 3.35(19) . . . . ?
B3 B2 B10 B6 102.18(15) . . . . ?
B3 B2 B10 B9 65.05(17) . . . . ?
B3 B4 B5 B1 -38.02(14) . . . . ?
B3 B4 B5 B6 0.9(2) . . . . ?
B3 B4 B5 B8 100.81(16) . . . . ?
B3 B4 B5 B9 63.92(19) . . . . ?
B3 B4 B7 C1 -37.70(13) . . . . ?
B3 B4 B7 C2 -100.07(14) . . . . ?
B3 B4 B7 B8 -138.06(15) . . . . ?
B3 B4 B8 C2 -0.83(19) . . . . ?
B3 B4 B8 B5 -100.27(16) . . . . ?
B3 B4 B8 B7 37.36(13) . . . . ?
B3 B4 B8 B9 -62.90(19) . . . . ?
B3 B7 B8 C2 99.04(14) . . . . ?
B3 B7 B8 B4 -37.25(14) . . . . ?
B3 B7 B8 B5 0.9(2) . . . . ?
B3 B7 B8 B9 64.47(18) . . . . ?
B4 B1 B2 C1 0.30(18) . . . . ?
B4 B1 B2 B3 -37.16(13) . . . . ?
B4 B1 B2 B6 100.05(15) . . . . ?
B4 B1 B2 B10 62.37(17) . . . . ?
B4 B1 B3 C1 99.97(15) . . . . ?
B4 B1 B3 B2 137.60(15) . . . . ?
B4 B1 B3 B7 37.51(14) . . . . ?
B4 B1 B5 B6 -136.78(15) . . . . ?
B4 B1 B5 B8 -36.64(15) . . . . ?
B4 B1 B5 B9 -99.87(16) . . . . ?
B4 B1 B6 B2 -99.51(15) . . . . ?
B4 B1 B6 B5 38.21(14) . . . . ?
B4 B1 B6 B9 1.26(19) . . . . ?
B4 B1 B6 B10 -62.35(18) . . . . ?
B4 B3 B7 C1 136.47(14) . . . . ?
B4 B3 B7 C2 99.13(15) . . . . ?
B4 B3 B7 B8 37.22(14) . . . . ?
B4 B5 B6 B1 -38.85(14) . . . . ?
B4 B5 B6 B2 -1.3(2) . . . . ?
B4 B5 B6 B9 99.92(17) . . . . ?
B4 B5 B6 B10 62.05(19) . . . . ?
B4 B5 B8 C2 -100.29(16) . . . . ?
B4 B5 B8 B7 -38.21(15) . . . . ?
B4 B5 B8 B9 -138.40(16) . . . . ?
B4 B5 B9 C2 -1.5(2) . . . . ?
B4 B5 B9 B6 -101.26(16) . . . . ?
B4 B5 B9 B8 36.78(14) . . . . ?
B4 B5 B9 B10 -63.31(19) . . . . ?
B4 B7 B8 C2 136.29(15) . . . . ?
B4 B7 B8 B5 38.19(15) . . . . ?
B4 B7 B8 B9 101.72(17) . . . . ?
B4 B8 B9 C2 98.64(16) . . . . ?
B4 B8 B9 B5 -37.53(15) . . . . ?
B4 B8 B9 B6 0.1(2) . . . . ?
B4 B8 B9 B10 63.73(19) . . . . ?
B5 B1 B2 C1 -62.45(17) . . . . ?
B5 B1 B2 B3 -99.91(15) . . . . ?
B5 B1 B2 B6 37.29(14) . . . . ?
B5 B1 B2 B10 -0.38(18) . . . . ?
B5 B1 B3 C1 62.22(18) . . . . ?
B5 B1 B3 B2 99.85(16) . . . . ?
B5 B1 B3 B4 -37.75(15) . . . . ?
B5 B1 B3 B7 -0.24(19) . . . . ?
B5 B1 B4 B3 137.33(16) . . . . ?
B5 B1 B4 B7 100.22(17) . . . . ?
B5 B1 B4 B8 36.92(14) . . . . ?
B5 B1 B6 B2 -137.73(15) . . . . ?
B5 B1 B6 B9 -36.95(15) . . . . ?
B5 B1 B6 B10 -100.56(16) . . . . ?
B5 B4 B7 C1 62.54(18) . . . . ?
B5 B4 B7 C2 0.17(19) . . . . ?
B5 B4 B7 B3 100.23(16) . . . . ?
B5 B4 B7 B8 -37.83(15) . . . . ?
B5 B4 B8 C2 99.43(16) . . . . ?
B5 B4 B8 B7 137.63(16) . . . . ?
B5 B4 B8 B9 37.36(15) . . . . ?
B5 B6 B9 C2 -99.83(17) . . . . ?
B5 B6 B9 B8 -37.70(15) . . . . ?
B5 B6 B9 B10 -137.64(15) . . . . ?
B5 B6 B10 C1 -62.43(18) . . . . ?
B5 B6 B10 C2 0.19(19) . . . . ?
B5 B6 B10 B2 -100.26(16) . . . . ?
B5 B6 B10 B9 37.84(15) . . . . ?
B5 B8 B9 C2 136.18(16) . . . . ?
B5 B8 B9 B6 37.67(15) . . . . ?
B5 B8 B9 B10 101.27(17) . . . . ?
B5 B9 B10 C1 61.25(18) . . . . ?
B5 B9 B10 C2 98.62(16) . . . . ?
B5 B9 B10 B2 -0.88(19) . . . . ?
B5 B9 B10 B6 -37.95(14) . . . . ?
B6 B1 B2 C1 -99.75(15) . . . . ?
B6 B1 B2 B3 -137.20(15) . . . . ?
B6 B1 B2 B10 -37.67(13) . . . . ?
B6 B1 B3 C1 -0.22(18) . . . . ?
B6 B1 B3 B2 37.41(13) . . . . ?
B6 B1 B3 B4 -100.19(16) . . . . ?
B6 B1 B3 B7 -62.68(17) . . . . ?
B6 B1 B4 B3 99.23(15) . . . . ?
B6 B1 B4 B5 -38.10(14) . . . . ?
B6 B1 B4 B7 62.12(18) . . . . ?
B6 B1 B4 B8 -1.18(19) . . . . ?
B6 B1 B5 B4 136.78(15) . . . . ?
B6 B1 B5 B8 100.14(17) . . . . ?
B6 B1 B5 B9 36.92(14) . . . . ?
B6 B2 B3 C1 98.33(15) . . . . ?
B6 B2 B3 B1 -38.88(14) . . . . ?
B6 B2 B3 B4 -0.66(19) . . . . ?
B6 B2 B3 B7 63.16(18) . . . . ?
B6 B2 B10 C1 -136.65(15) . . . . ?
B6 B2 B10 C2 -98.83(16) . . . . ?
B6 B2 B10 B9 -37.13(14) . . . . ?
B6 B5 B8 C2 0.9(2) . . . . ?
B6 B5 B8 B4 101.16(16) . . . . ?
B6 B5 B8 B7 62.9(2) . . . . ?
B6 B5 B8 B9 -37.24(15) . . . . ?
B6 B5 B9 C2 99.81(16) . . . . ?
B6 B5 B9 B8 138.05(16) . . . . ?
B6 B5 B9 B10 37.96(14) . . . . ?
B6 B9 B10 C1 99.20(15) . . . . ?
B6 B9 B10 C2 136.57(15) . . . . ?
B6 B9 B10 B2 37.07(14) . . . . ?
B7 C1 C2 Si2 -109.12(15) . . . . ?
B7 C1 C2 B8 39.11(13) . . . . ?
B7 C1 C2 B9 105.46(16) . . . . ?
B7 C1 C2 B10 144.69(15) . . . . ?
B7 C1 B2 B1 -0.63(19) . . . . ?
B7 C1 B2 B3 37.66(14) . . . . ?
B7 C1 B2 B6 -64.68(17) . . . . ?
B7 C1 B2 B10 -103.20(16) . . . . ?
B7 C1 B3 B1 -102.35(15) . . . . ?
B7 C1 B3 B2 -140.29(14) . . . . ?
B7 C1 B3 B4 -38.68(13) . . . . ?
B7 C1 B10 C2 -32.53(14) . . . . ?
B7 C1 B10 B2 104.77(15) . . . . ?
B7 C1 B10 B6 66.76(17) . . . . ?
B7 C1 B10 B9 4.29(19) . . . . ?
B7 C2 B8 B4 38.88(13) . . . . ?
B7 C2 B8 B5 102.19(16) . . . . ?
B7 C2 B8 B9 140.85(15) . . . . ?
B7 C2 B9 B5 1.6(2) . . . . ?
B7 C2 B9 B6 64.7(2) . . . . ?
B7 C2 B9 B8 -37.17(14) . . . . ?
B7 C2 B9 B10 103.15(15) . . . . ?
B7 C2 B10 C1 32.60(14) . . . . ?
B7 C2 B10 B2 -4.9(2) . . . . ?
B7 C2 B10 B6 -67.14(18) . . . . ?
B7 C2 B10 B9 -105.22(17) . . . . ?
B7 B3 B4 B1 -138.50(15) . . . . ?
B7 B3 B4 B5 -100.71(16) . . . . ?
B7 B3 B4 B8 -37.33(13) . . . . ?
B7 B4 B5 B1 -101.14(15) . . . . ?
B7 B4 B5 B6 -62.25(19) . . . . ?
B7 B4 B5 B8 37.69(14) . . . . ?
B7 B4 B5 B9 0.8(2) . . . . ?
B7 B4 B8 C2 -38.19(13) . . . . ?
B7 B4 B8 B5 -137.63(16) . . . . ?
B7 B4 B8 B9 -100.26(16) . . . . ?
B7 B8 B9 C2 34.62(13) . . . . ?
B7 B8 B9 B5 -101.56(17) . . . . ?
B7 B8 B9 B6 -63.9(2) . . . . ?
B7 B8 B9 B10 -0.3(2) . . . . ?
B8 C2 B7 C1 -137.68(14) . . . . ?
B8 C2 B7 B3 -100.83(15) . . . . ?
B8 C2 B7 B4 -38.33(14) . . . . ?
B8 C2 B9 B5 38.82(15) . . . . ?
B8 C2 B9 B6 101.86(18) . . . . ?
B8 C2 B9 B10 140.32(15) . . . . ?
B8 C2 B10 C1 100.12(15) . . . . ?
B8 C2 B10 B2 62.66(19) . . . . ?
B8 C2 B10 B6 0.38(19) . . . . ?
B8 C2 B10 B9 -37.70(15) . . . . ?
B8 B4 B5 B1 -138.83(16) . . . . ?
B8 B4 B5 B6 -99.93(17) . . . . ?
B8 B4 B5 B9 -36.89(15) . . . . ?
B8 B4 B7 C1 100.36(15) . . . . ?
B8 B4 B7 C2 38.00(14) . . . . ?
B8 B4 B7 B3 138.06(15) . . . . ?
B8 B5 B6 B1 -101.56(16) . . . . ?
B8 B5 B6 B2 -63.99(19) . . . . ?
B8 B5 B6 B9 37.20(15) . . . . ?
B8 B5 B6 B10 -0.7(2) . . . . ?
B8 B5 B9 C2 -38.24(14) . . . . ?
B8 B5 B9 B6 -138.05(16) . . . . ?
B8 B5 B9 B10 -100.09(16) . . . . ?
B8 B9 B10 C1 -2.4(2) . . . . ?
B8 B9 B10 C2 35.00(14) . . . . ?
B8 B9 B10 B2 -64.49(18) . . . . ?
B8 B9 B10 B6 -101.56(17) . . . . ?
B9 C2 B7 C1 -100.49(15) . . . . ?
B9 C2 B7 B3 -63.64(18) . . . . ?
B9 C2 B7 B4 -1.15(19) . . . . ?
B9 C2 B7 B8 37.19(14) . . . . ?
B9 C2 B8 B4 -101.96(16) . . . . ?
B9 C2 B8 B5 -38.66(15) . . . . ?
B9 C2 B8 B7 -140.85(15) . . . . ?
B9 C2 B10 C1 137.82(15) . . . . ?
B9 C2 B10 B2 100.37(16) . . . . ?
B9 C2 B10 B6 38.08(14) . . . . ?
B9 B5 B6 B1 -138.77(15) . . . . ?
B9 B5 B6 B2 -101.19(16) . . . . ?
B9 B5 B6 B10 -37.86(14) . . . . ?
B9 B5 B8 C2 38.11(14) . . . . ?
B9 B5 B8 B4 138.40(16) . . . . ?
B9 B5 B8 B7 100.19(17) . . . . ?
B9 B6 B10 C1 -100.26(16) . . . . ?
B9 B6 B10 C2 -37.65(13) . . . . ?
B9 B6 B10 B2 -138.10(15) . . . . ?
B10 C1 C2 Si2 106.19(16) . . . . ?
B10 C1 C2 B7 -144.69(15) . . . . ?
B10 C1 C2 B8 -105.58(16) . . . . ?
B10 C1 C2 B9 -39.23(15) . . . . ?
B10 C1 B2 B1 102.57(16) . . . . ?
B10 C1 B2 B3 140.86(15) . . . . ?
B10 C1 B2 B6 38.53(14) . . . . ?
B10 C1 B3 B1 0.73(19) . . . . ?
B10 C1 B3 B2 -37.21(14) . . . . ?
B10 C1 B3 B4 64.41(17) . . . . ?
B10 C1 B3 B7 103.08(15) . . . . ?
B10 C1 B7 C2 32.56(13) . . . . ?
B10 C1 B7 B3 -105.11(15) . . . . ?
B10 C1 B7 B4 -66.90(17) . . . . ?
B10 C1 B7 B8 -4.47(18) . . . . ?
B10 C2 B7 C1 -32.49(14) . . . . ?
B10 C2 B7 B3 4.36(19) . . . . ?
B10 C2 B7 B4 66.85(18) . . . . ?
B10 C2 B7 B8 105.18(16) . . . . ?
B10 C2 B8 B4 -64.10(18) . . . . ?
B10 C2 B8 B5 -0.8(2) . . . . ?
B10 C2 B8 B7 -102.98(15) . . . . ?
B10 C2 B8 B9 37.87(14) . . . . ?
B10 C2 B9 B5 -101.50(16) . . . . ?
B10 C2 B9 B6 -38.46(15) . . . . ?
B10 C2 B9 B8 -140.32(15) . . . . ?
B10 B2 B3 C1 34.40(13) . . . . ?
B10 B2 B3 B1 -102.82(16) . . . . ?
B10 B2 B3 B4 -64.59(18) . . . . ?
B10 B2 B3 B7 -0.78(19) . . . . ?
B10 B2 B6 B1 138.47(14) . . . . ?
B10 B2 B6 B5 100.93(16) . . . . ?
B10 B2 B6 B9 37.53(15) . . . . ?
B10 B6 B9 C2 37.81(14) . . . . ?
B10 B6 B9 B5 137.64(15) . . . . ?
B10 B6 B9 B8 99.94(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.219
_oxdiff_exptl_absorpt_empirical_full_min 0.844
####################################################################### 
# 
# 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_20230530-wy_auto
_database_code_depnum_ccdc_archive 'CCDC 2268200'
loop_
_audit_author_name
_audit_author_address
mayanna
;Zhengzhou University
China
;
_audit_update_record             
;
2023-06-07 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_audit_creation_date             2023-05-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C8 H20 N), 2(C4 H22 B19)'
_chemical_formula_sum            'C24 H84 B38 N2'
_chemical_formula_weight         811.71
_chemical_melting_point          ?
_chemical_oxdiff_formula         'B1 N1 C1 '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7318(3)
_cell_length_b                   13.0844(4)
_cell_length_c                   18.4673(5)
_cell_angle_alpha                89.977(2)
_cell_angle_beta                 78.418(2)
_cell_angle_gamma                88.417(2)
_cell_volume                     2539.36(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9400
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      71.2530
_cell_measurement_theta_min      4.8890
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.326
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.062
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0575
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18413
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.310
_diffrn_reflns_theta_min         4.161
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -41.00   2.00   1.00    2.39    --  -35.62  60.00  50.00   43
  2  ω    -98.00 -18.00   1.00    2.39    --  -35.62 -60.00 -88.00   80
  3  ω    -13.00  12.00   1.00    2.39    --   35.62 -60.00 -88.00   25
  4  ω     23.00 102.00   1.00    2.39    --   35.62  60.00  50.00   79
  5  ω     89.00 174.00   1.00    9.56    --  106.81  60.00  50.00   85
  6  ω     40.00 124.00   1.00    9.56    --  106.81 -60.00 -88.00   84
  7  ω    -61.00 -19.00   1.00    2.39    --  -35.62  77.00  60.00   42
  8  ω    -85.00 -41.00   1.00    2.39    --  -35.62 178.00-120.00   44
  9  ω    -13.00  25.00   1.00    2.39    --  -35.62  77.00  60.00   38
 10  ω      3.00  28.00   1.00    2.39    --   35.62  87.00-113.27   25
 11  ω    -27.00  49.00   1.00    2.39    --   35.62 -57.00-180.00   76
 12  ω     22.00  74.00   1.00    2.39    --   35.62 -99.00 -60.00   52
 13  ω     21.00  93.00   1.00    2.39    --   35.62  38.00-180.00   72
 14  ω     44.00  93.00   1.00    2.39    --   35.62-133.00 173.72   49
 15  ω     42.00 112.00   1.00    9.56    --  106.81 -61.00  60.00   70
 16  ω     40.00  69.00   1.00    9.56    --  106.81-111.00-150.00   29
 17  ω    117.00 174.00   1.00    9.56    --  106.81  61.00-150.00   57
 18  ω     42.00 107.00   1.00    9.56    --  106.81 -95.00 -60.00   65
 19  ω     51.00 108.00   1.00    9.56    --  106.81-111.00  90.00   57
 20  ω    103.00 167.00   1.00    9.56    --  106.81  77.00   0.00   64
 21  ω     37.00 126.00   1.00    9.56    --  106.81 -30.00-120.00   89
 22  ω    149.00 174.00   1.00    9.56    --  106.81  77.00-120.00   25
 23  ω    112.00 138.00   1.00    9.56    --  106.81  77.00-120.00   26
 24  ω     41.00  93.00   1.00    9.56    --  106.81-111.00  60.00   52
 25  ω     41.00 108.00   1.00    9.56    --  106.81-111.00 -90.00   67
 26  ω     73.00 108.00   1.00    9.56    --  106.81-111.00-180.00   35
 27  ω    113.00 174.00   1.00    9.56    --  106.81 111.00 -30.00   61
 28  ω     41.00 135.00   1.00    9.56    --  106.81 -15.00  30.00   94
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0447963000
_diffrn_orient_matrix_UB_12      -0.0706762000
_diffrn_orient_matrix_UB_13      0.0570270000
_diffrn_orient_matrix_UB_21      -0.0842044000
_diffrn_orient_matrix_UB_22      -0.0851571000
_diffrn_orient_matrix_UB_23      -0.0194454000
_diffrn_orient_matrix_UB_31      0.1113206000
_diffrn_orient_matrix_UB_32      -0.0403348000
_diffrn_orient_matrix_UB_33      -0.0601778000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7921
_reflns_number_total             9630
_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       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     647
_refine_ls_number_reflns         9630
_refine_ls_number_restraints     49
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0628
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0887P)²+1.3442P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1740
_refine_ls_wR_factor_ref         0.1828
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 B35-H35
 1.1 with sigma of 0.02
 C31-H31
 1 with sigma of 0.02
 C51A-H51A
 1 with sigma of 0.02
3. Rigid bond restraints
 C31, B34
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C52 \\sim C51A \\sim B50 \\sim C51: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
5. Rigid body (RIGU) restrains
 C52, C51, B50
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C52, C51A, B50
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
6. Others
 Sof(C51A)=Sof(H51A)=1-FVAR(1)
 Sof(C51)=Sof(H51)=FVAR(1)
7.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C2(H2A,H2B), C8(H8A,H8B), C6(H6A,H6B), C13(H13A,H13B), C11(H11A,
 H11B), C17(H17A,H17B), C15(H15A,H15B)
7.b Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C3(H3A,H3B,H3C), C9(H9A,H9B,H9C), C7(H7A,H7B,H7C), C16(H16A,
 H16B,H16C), C14(H14A,H14B,H14C), C18(H18A,H18B,H18C), C12(H12A,H12B,H12C)
7.c Boron cage BH refined with riding coordinates:
 C23(H23), C61(H61), C19(H19), C54(H54), B34(H34), B22(H22), B64(H64),
 B39(H39), B62(H62), B21(H21), B41(H41), B24(H24), B44(H44), B60(H60), B28(H28),
  B26(H26), B43(H43), B63(H63), B38(H38), B58(H58), B65(H65), B29(H29),
 B40(H40), B57(H57), B20(H20), B53(H53), B46(H46), B30(H30), B56(H56), B27(H27),
  B45(H45), B55(H55)
;
_atom_sites_solution_hydrogens   mixed
_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
N1 N 0.77509(13) 0.23559(11) 0.60895(8) 0.0193(3) Uani 1 1 d . . . . .
N10 N 0.34457(14) 0.25213(12) 0.05912(9) 0.0238(3) Uani 1 1 d . . . . .
C4 C 0.77135(17) 0.15597(13) 0.54955(10) 0.0213(4) Uani 1 1 d . . . . .
H4A H 0.703244 0.107678 0.568692 0.026 Uiso 1 1 calc R U . . .
H4B H 0.748430 0.190800 0.506246 0.026 Uiso 1 1 calc R U . . .
C2 C 0.81299(17) 0.18787(14) 0.67637(10) 0.0231(4) Uani 1 1 d . . . . .
H2A H 0.900577 0.158785 0.661629 0.028 Uiso 1 1 calc R U . . .
H2B H 0.814799 0.242631 0.713096 0.028 Uiso 1 1 calc R U . . .
C8 C 0.87341(17) 0.31542(14) 0.58138(11) 0.0258(4) Uani 1 1 d . . . . .
H8A H 0.869231 0.367577 0.620678 0.031 Uiso 1 1 calc R U . . .
H8B H 0.958917 0.281882 0.573506 0.031 Uiso 1 1 calc R U . . .
C6 C 0.64147(17) 0.28375(15) 0.62795(11) 0.0252(4) Uani 1 1 d . . . . .
H6A H 0.622975 0.317698 0.583210 0.030 Uiso 1 1 calc R U . . .
H6B H 0.579920 0.228475 0.641075 0.030 Uiso 1 1 calc R U . . .
C37 C 1.23465(17) 0.82978(16) -0.00337(11) 0.0273(4) Uani 1 1 d . . . . .
C23 C 0.8515(2) 0.42394(15) 0.20331(12) 0.0306(4) Uani 1 1 d . . . . .
H23 H 0.831994 0.347627 0.181167 0.037 Uiso 1 1 calc R U . . .
C13 C 0.31158(17) 0.33023(15) 0.00443(12) 0.0277(4) Uani 1 1 d . . . . .
H13A H 0.259155 0.296893 -0.026665 0.033 Uiso 1 1 calc R U . . .
H13B H 0.258760 0.385907 0.032499 0.033 Uiso 1 1 calc R U . . .
C11 C 0.42936(19) 0.16639(16) 0.01954(13) 0.0326(5) Uani 1 1 d . . . . .
H11A H 0.448893 0.117481 0.056910 0.039 Uiso 1 1 calc R U . . .
H11B H 0.510696 0.195542 -0.005749 0.039 Uiso 1 1 calc R U . . .
C5 C 0.89445(19) 0.09560(16) 0.52415(12) 0.0312(4) Uani 1 1 d . . . . .
H5A H 0.884167 0.046753 0.485708 0.047 Uiso 1 1 calc R U . . .
H5B H 0.916553 0.058493 0.566140 0.047 Uiso 1 1 calc R U . . .
H5C H 0.962461 0.142391 0.504141 0.047 Uiso 1 1 calc R U . . .
B35 B 1.20327(19) 0.71998(16) -0.02600(11) 0.0213(4) Uani 1 1 d D . . . .
C17 C 0.41832(18) 0.29984(16) 0.11226(12) 0.0303(4) Uani 1 1 d . . . . .
H17A H 0.436690 0.246312 0.146850 0.036 Uiso 1 1 calc R U . . .
H17B H 0.500927 0.322259 0.083431 0.036 Uiso 1 1 calc R U . . .
C15 C 0.21883(17) 0.21136(15) 0.09991(13) 0.0306(4) Uani 1 1 d . . . . .
H15A H 0.166740 0.269150 0.125634 0.037 Uiso 1 1 calc R U . . .
H15B H 0.172823 0.183906 0.063089 0.037 Uiso 1 1 calc R U . . .
C3 C 0.7276(2) 0.10477(17) 0.71348(12) 0.0357(5) Uani 1 1 d . . . . .
H3A H 0.727095 0.048760 0.678332 0.054 Uiso 1 1 calc R U . . .
H3B H 0.640911 0.132849 0.729800 0.054 Uiso 1 1 calc R U . . .
H3C H 0.759621 0.078918 0.756308 0.054 Uiso 1 1 calc R U . . .
C9 C 0.8598(2) 0.36920(16) 0.51103(12) 0.0328(5) Uani 1 1 d . . . . .
H9A H 0.869060 0.319150 0.470709 0.049 Uiso 1 1 calc R U . . .
H9B H 0.925763 0.420250 0.498799 0.049 Uiso 1 1 calc R U . . .
H9C H 0.775659 0.403156 0.517881 0.049 Uiso 1 1 calc R U . . .
B25 B 0.96945(17) 0.61009(14) 0.17436(11) 0.0169(4) Uani 1 1 d . . . . .
C61 C 0.7179(2) -0.06349(16) 0.32605(12) 0.0321(5) Uani 1 1 d . . . . .
H61 H 0.729071 -0.138936 0.353049 0.039 Uiso 1 1 calc R U . . .
C7 C 0.6195(2) 0.36090(18) 0.69040(14) 0.0393(5) Uani 1 1 d . . . . .
H7A H 0.679784 0.416211 0.678275 0.059 Uiso 1 1 calc R U . . .
H7B H 0.632058 0.327367 0.735953 0.059 Uiso 1 1 calc R U . . .
H7C H 0.532322 0.389148 0.697478 0.059 Uiso 1 1 calc R U . . .
C16 C 0.2292(2) 0.12886(17) 0.15588(13) 0.0371(5) Uani 1 1 d . . . . .
H16A H 0.282534 0.071827 0.131532 0.056 Uiso 1 1 calc R U . . .
H16B H 0.144131 0.104505 0.177131 0.056 Uiso 1 1 calc R U . . .
H16C H 0.267513 0.156752 0.195267 0.056 Uiso 1 1 calc R U . . .
B32 B 1.06132(17) 0.68717(14) 0.11271(11) 0.0159(4) Uani 1 1 d . . . . .
C19 C 0.7942(2) 0.45472(18) 0.28890(12) 0.0371(5) Uani 1 1 d . . . . .
H19 H 0.734332 0.400817 0.327272 0.045 Uiso 1 1 calc R U . . .
C54 C 0.8050(2) -0.0375(2) 0.24615(13) 0.0405(6) Uani 1 1 d . . . . .
H54 H 0.877521 -0.094269 0.216476 0.049 Uiso 1 1 calc R U . . .
B47 B 0.47735(18) 0.20665(15) 0.38330(11) 0.0192(4) Uani 1 1 d . . . . .
C14 C 0.4240(2) 0.37691(19) -0.04563(14) 0.0418(5) Uani 1 1 d . . . . .
H14A H 0.393840 0.430426 -0.075601 0.063 Uiso 1 1 calc R U . . .
H14B H 0.471540 0.323880 -0.078154 0.063 Uiso 1 1 calc R U . . .
H14C H 0.479573 0.406739 -0.015656 0.063 Uiso 1 1 calc R U . . .
B59 B 0.59160(18) 0.12597(15) 0.33520(11) 0.0183(4) Uani 1 1 d . . . . .
C18 C 0.3530(2) 0.38993(18) 0.15714(14) 0.0415(5) Uani 1 1 d . . . . .
H18A H 0.339839 0.445733 0.123833 0.062 Uiso 1 1 calc R U . . .
H18B H 0.406325 0.413143 0.190871 0.062 Uiso 1 1 calc R U . . .
H18C H 0.270615 0.369248 0.185781 0.062 Uiso 1 1 calc R U . . .
B33 B 1.21838(18) 0.71867(16) 0.12233(11) 0.0200(4) Uani 1 1 d . . . . .
C12 C 0.3737(2) 0.10808(18) -0.03692(15) 0.0431(6) Uani 1 1 d . . . . .
H12A H 0.355486 0.155319 -0.074918 0.065 Uiso 1 1 calc R U . . .
H12B H 0.294729 0.076437 -0.012301 0.065 Uiso 1 1 calc R U . . .
H12C H 0.434815 0.054839 -0.060008 0.065 Uiso 1 1 calc R U . . .
B34 B 1.09818(18) 0.81681(15) 0.13449(12) 0.0220(4) Uani 1 1 d . U . . .
H34 H 1.063472 0.852178 0.190372 0.026 Uiso 1 1 calc R U . . .
B22 B 0.9962(2) 0.47436(15) 0.17243(12) 0.0221(4) Uani 1 1 d . . . . .
H22 H 1.074647 0.437299 0.130701 0.026 Uiso 1 1 calc R U . . .
B64 B 0.57011(19) -0.00925(15) 0.33618(12) 0.0212(4) Uani 1 1 d . . . . .
H64 H 0.481390 -0.043065 0.368554 0.025 Uiso 1 1 calc R U . . .
B39 B 1.05228(19) 0.68861(16) 0.01704(12) 0.0223(4) Uani 1 1 d . . . . .
H39 H 0.987200 0.638047 -0.006127 0.027 Uiso 1 1 calc R U . . .
C31 C 1.24823(19) 0.84008(16) 0.08052(13) 0.0325(5) Uani 1 1 d D U . . .
B62 B 0.5721(2) 0.05762(16) 0.25319(12) 0.0230(4) Uani 1 1 d . . . . .
H62 H 0.484365 0.069749 0.229709 0.028 Uiso 1 1 calc R U . . .
B36 B 1.19309(19) 0.63951(15) 0.04464(12) 0.0211(4) Uani 1 1 d . . . . .
C52 C 0.2575(2) 0.35279(19) 0.47411(16) 0.0464(6) Uani 1 1 d . U . . .
B21 B 1.0258(2) 0.54507(16) 0.24823(12) 0.0234(4) Uani 1 1 d . . . . .
H21 H 1.124611 0.556560 0.257317 0.028 Uiso 1 1 calc R U . . .
B41 B 0.99347(18) 0.79624(15) 0.07292(12) 0.0219(4) Uani 1 1 d . . . . .
H41 H 0.889253 0.815923 0.088291 0.026 Uiso 1 1 calc R U . . .
B24 B 0.85794(19) 0.52650(16) 0.14634(12) 0.0225(4) Uani 1 1 d . . . . .
H24 H 0.845209 0.523771 0.087652 0.027 Uiso 1 1 calc R U . . .
B44 B 0.3368(2) 0.24336(17) 0.34822(13) 0.0257(4) Uani 1 1 d . . . . .
H44 H 0.322365 0.216136 0.293082 0.031 Uiso 1 1 calc R U . . .
B60 B 0.6852(2) 0.04225(17) 0.38120(12) 0.0253(4) Uani 1 1 d . . . . .
H60 H 0.672702 0.042192 0.442885 0.030 Uiso 1 1 calc R U . . .
B28 B 0.80001(19) 0.63018(17) 0.20625(13) 0.0259(4) Uani 1 1 d . . . . .
H28 H 0.748823 0.697856 0.187544 0.031 Uiso 1 1 calc R U . . .
B26 B 0.9042(2) 0.64230(17) 0.26954(12) 0.0264(4) Uani 1 1 d . . . . .
H26 H 0.922139 0.718305 0.292788 0.032 Uiso 1 1 calc R U . . .
B43 B 0.3222(2) 0.16060(16) 0.42637(13) 0.0255(4) Uani 1 1 d . . . . .
H43 H 0.297237 0.078346 0.423620 0.031 Uiso 1 1 calc R U . . .
B63 B 0.6482(2) -0.06390(18) 0.25062(13) 0.0300(5) Uani 1 1 d . . . . .
H63 H 0.612732 -0.133186 0.226422 0.036 Uiso 1 1 calc R U . . .
B38 B 1.0834(2) 0.81260(18) -0.01777(13) 0.0293(5) Uani 1 1 d . . . . .
H38 H 1.041578 0.844130 -0.064310 0.035 Uiso 1 1 calc R U . . .
B58 B 0.6895(2) 0.15209(19) 0.24669(13) 0.0297(5) Uani 1 1 d . . . . .
H58 H 0.679587 0.227038 0.218785 0.036 Uiso 1 1 calc R U . . .
B65 B 0.7240(2) 0.0356(2) 0.19533(13) 0.0340(5) Uani 1 1 d . . . . .
H65 H 0.738388 0.032551 0.133594 0.041 Uiso 1 1 calc R U . . .
B29 B 0.7276(2) 0.5107(2) 0.22119(14) 0.0329(5) Uani 1 1 d . . . . .
H29 H 0.629050 0.497338 0.212459 0.039 Uiso 1 1 calc R U . . .
B40 B 1.1094(2) 0.89193(17) 0.05475(15) 0.0298(5) Uani 1 1 d . . . . .
H40 H 1.083403 0.975513 0.056577 0.036 Uiso 1 1 calc R U . . .
B57 B 0.7605(2) 0.1424(2) 0.32589(13) 0.0307(5) Uani 1 1 d . . . . .
H57 H 0.797842 0.210418 0.350613 0.037 Uiso 1 1 calc R U . . .
B20 B 0.9541(2) 0.42468(19) 0.26334(14) 0.0328(5) Uani 1 1 d . . . . .
H20 H 1.002919 0.355614 0.281883 0.039 Uiso 1 1 calc R U . . .
B53 B 0.2080(2) 0.25904(19) 0.42367(14) 0.0322(5) Uani 1 1 d . . . . .
H53 H 0.107958 0.242962 0.419068 0.039 Uiso 1 1 calc R U . . .
B46 B 0.4529(2) 0.33445(18) 0.35515(17) 0.0376(6) Uani 1 1 d . . . . .
H46 H 0.512995 0.369651 0.305258 0.045 Uiso 1 1 calc R U . A 1
B50 B 0.5077(3) 0.31029(19) 0.43854(17) 0.0388(6) Uani 1 1 d . U . . .
B30 B 0.8959(2) 0.5286(2) 0.32327(13) 0.0349(5) Uani 1 1 d . . . . .
H30 H 0.907474 0.528501 0.382212 0.042 Uiso 1 1 calc R U . . .
B48 B 0.4314(2) 0.1988(2) 0.48088(14) 0.0359(5) Uani 1 1 d . . . . .
B56 B 0.8377(2) 0.0209(2) 0.32290(15) 0.0403(6) Uani 1 1 d . . . . .
H56 H 0.925972 0.006583 0.345490 0.048 Uiso 1 1 calc R U . . .
B27 B 0.7569(2) 0.5811(2) 0.29764(14) 0.0369(6) Uani 1 1 d . . . . .
H27 H 0.677048 0.615475 0.339849 0.044 Uiso 1 1 calc R U . . .
B42 B 0.2661(3) 0.2375(2) 0.50516(15) 0.0417(6) Uani 1 1 d . . . . .
B45 B 0.2873(2) 0.36688(19) 0.38241(17) 0.0388(6) Uani 1 1 d . . . . .
H45 H 0.241222 0.424610 0.350670 0.047 Uiso 1 1 calc R U . B 1
B55 B 0.8396(2) 0.0882(3) 0.24011(15) 0.0431(7) Uani 1 1 d . . . . .
H55 H 0.929827 0.119751 0.207759 0.052 Uiso 1 1 calc R U . . .
C51 C 0.3891(4) 0.3921(3) 0.4456(2) 0.0402(12) Uani 0.615(8) 1 d . U P C 1
H33A H 1.255(2) 0.6896(17) 0.1708(13) 0.028(6) Uiso 1 1 d . . . . .
H31 H 1.311(2) 0.8966(17) 0.0974(14) 0.044(7) Uiso 1 1 d D . . . .
H36 H 1.218(2) 0.5547(19) 0.0370(14) 0.039(7) Uiso 1 1 d . . . . .
H48A H 0.481(3) 0.145(2) 0.5154(15) 0.047(7) Uiso 1 1 d . . . . .
H52 H 0.197(3) 0.401(2) 0.5011(16) 0.052(8) Uiso 1 1 d . . . . .
H42 H 0.197(3) 0.213(2) 0.5560(18) 0.066(9) Uiso 1 1 d . . . . .
H50 H 0.604(3) 0.332(2) 0.4402(16) 0.055(8) Uiso 1 1 d . . . . .
H33B H 1.289(4) 0.690(3) 0.064(2) 0.094(13) Uiso 1 1 d . . . . .
H35 H 1.233(2) 0.698(2) -0.0770(10) 0.045(7) Uiso 1 1 d D . . . .
H37 H 1.288(3) 0.874(2) -0.0398(15) 0.044(7) Uiso 1 1 d . . . . .
C51A C 0.3844(7) 0.3342(5) 0.4931(4) 0.0456(18) Uani 0.385(8) 1 d D U P C 2
H51 H 0.409(5) 0.465(4) 0.450(3) 0.062(15) Uiso 0.615(8) 1 d . . P C 1
H48B H 0.379(6) 0.263(5) 0.518(3) 0.18(3) Uiso 1 1 d . . . . .
H51A H 0.402(8) 0.371(6) 0.538(3) 0.08(3) Uiso 0.385(8) 1 d D . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 C4 1.520(2) . ?
N1 C2 1.515(2) . ?
N1 C8 1.519(2) . ?
N1 C6 1.525(2) . ?
N10 C13 1.521(2) . ?
N10 C11 1.516(2) . ?
N10 C17 1.523(2) . ?
N10 C15 1.518(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.511(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.514(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.508(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.511(3) . ?
C37 B35 1.561(3) . ?
C37 C31 1.591(3) . ?
C37 B38 1.718(3) . ?
C37 B40 1.726(3) . ?
C37 H37 0.99(3) . ?
C23 H23 1.1200 . ?
C23 C19 1.623(3) . ?
C23 B22 1.695(3) . ?
C23 B24 1.699(3) . ?
C23 B29 1.705(3) . ?
C23 B20 1.712(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.508(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.517(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
B35 B39 1.716(3) . ?
B35 B36 1.664(3) . ?
B35 B38 1.727(3) . ?
B35 H35 0.973(17) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.513(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.511(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
B25 B32 1.700(3) . ?
B25 B22 1.790(3) . ?
B25 B21 1.804(3) . ?
B25 B24 1.794(3) . ?
B25 B28 1.807(3) . ?
B25 B26 1.802(3) . ?
C61 H61 1.1200 . ?
C61 C54 1.621(3) . ?
C61 B64 1.695(3) . ?
C61 B60 1.705(3) . ?
C61 B63 1.709(3) . ?
C61 B56 1.710(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
B32 B33 1.789(3) . ?
B32 B34 1.816(3) . ?
B32 B39 1.789(3) . ?
B32 B36 1.791(3) . ?
B32 B41 1.807(3) . ?
C19 H19 1.1200 . ?
C19 B29 1.715(3) . ?
C19 B20 1.720(3) . ?
C19 B30 1.693(3) . ?
C19 B27 1.691(4) . ?
C54 H54 1.1200 . ?
C54 B63 1.712(3) . ?
C54 B65 1.683(3) . ?
C54 B56 1.713(3) . ?
C54 B55 1.695(4) . ?
B47 B59 1.703(3) . ?
B47 B44 1.810(3) . ?
B47 B43 1.814(3) . ?
B47 B46 1.779(3) . ?
B47 B50 1.773(3) . ?
B47 B48 1.774(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
B59 B64 1.790(3) . ?
B59 B62 1.810(3) . ?
B59 B60 1.792(3) . ?
B59 B58 1.795(3) . ?
B59 B57 1.805(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
B33 B34 1.776(3) . ?
B33 C31 1.775(3) . ?
B33 B36 1.838(3) . ?
B33 H33A 1.11(2) . ?
B33 H33B 1.23(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
B34 H34 1.1200 . ?
B34 C31 1.750(3) . ?
B34 B41 1.777(3) . ?
B34 B40 1.756(3) . ?
B22 H22 1.1200 . ?
B22 B21 1.764(3) . ?
B22 B24 1.770(3) . ?
B22 B20 1.776(3) . ?
B64 H64 1.1200 . ?
B64 B62 1.761(3) . ?
B64 B60 1.769(3) . ?
B64 B63 1.774(3) . ?
B39 H39 1.1200 . ?
B39 B36 1.792(3) . ?
B39 B41 1.771(3) . ?
B39 B38 1.761(3) . ?
C31 B40 1.770(3) . ?
C31 H31 1.103(16) . ?
B62 H62 1.1200 . ?
B62 B63 1.764(3) . ?
B62 B58 1.776(3) . ?
B62 B65 1.777(3) . ?
B36 H36 1.14(3) . ?
B36 H33B 1.35(4) . ?
C52 B53 1.700(4) . ?
C52 B42 1.620(4) . ?
C52 B45 1.670(4) . ?
C52 C51 1.510(5) . ?
C52 H52 0.96(3) . ?
C52 C51A 1.486(7) . ?
B21 H21 1.1200 . ?
B21 B26 1.783(3) . ?
B21 B20 1.770(3) . ?
B21 B30 1.775(3) . ?
B41 H41 1.1200 . ?
B41 B38 1.773(3) . ?
B41 B40 1.774(3) . ?
B24 H24 1.1200 . ?
B24 B28 1.769(3) . ?
B24 B29 1.775(3) . ?
B44 H44 1.1200 . ?
B44 B43 1.788(3) . ?
B44 B53 1.762(3) . ?
B44 B46 1.771(3) . ?
B44 B45 1.764(3) . ?
B60 H60 1.1200 . ?
B60 B57 1.772(3) . ?
B60 B56 1.784(3) . ?
B28 H28 1.1200 . ?
B28 B26 1.782(3) . ?
B28 B29 1.762(3) . ?
B28 B27 1.782(3) . ?
B26 H26 1.1200 . ?
B26 B30 1.782(3) . ?
B26 B27 1.775(3) . ?
B43 H43 1.1200 . ?
B43 B53 1.761(3) . ?
B43 B48 1.773(4) . ?
B43 B42 1.763(3) . ?
B63 H63 1.1200 . ?
B63 B65 1.767(4) . ?
B38 H38 1.1200 . ?
B38 B40 1.765(3) . ?
B58 H58 1.1200 . ?
B58 B65 1.785(3) . ?
B58 B57 1.782(3) . ?
B58 B55 1.777(4) . ?
B65 H65 1.1200 . ?
B65 B55 1.776(4) . ?
B29 H29 1.1200 . ?
B29 B27 1.771(4) . ?
B40 H40 1.1200 . ?
B57 H57 1.1200 . ?
B57 B56 1.768(4) . ?
B57 B55 1.778(3) . ?
B20 H20 1.1200 . ?
B20 B30 1.773(4) . ?
B53 H53 1.1200 . ?
B53 B42 1.760(4) . ?
B53 B45 1.761(3) . ?
B46 H46 1.1200 . ?
B46 B50 1.781(4) . ?
B46 B45 1.786(3) . ?
B46 C51 1.828(5) . ?
B50 B48 1.794(4) . ?
B50 C51 1.626(4) . ?
B50 H50 1.08(3) . ?
B50 C51A 1.520(7) . ?
B30 H30 1.1200 . ?
B30 B27 1.774(4) . ?
B48 B42 1.799(4) . ?
B48 H48A 1.14(3) . ?
B48 H48B 1.14(6) . ?
B56 H56 1.1200 . ?
B56 B55 1.761(4) . ?
B27 H27 1.1200 . ?
B42 H42 1.13(3) . ?
B42 H48B 1.33(6) . ?
B45 H45 1.1200 . ?
B45 C51 1.788(5) . ?
B55 H55 1.1200 . ?
C51 H51 0.99(5) . ?
C51A H48B 1.04(7) . ?
C51A H51A 1.00(2) . ?

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
C4 N1 C6 105.79(13) . . ?
C2 N1 C4 111.47(13) . . ?
C2 N1 C8 106.16(13) . . ?
C2 N1 C6 111.27(14) . . ?
C8 N1 C4 111.11(14) . . ?
C8 N1 C6 111.14(14) . . ?
C13 N10 C17 111.46(15) . . ?
C11 N10 C13 111.01(16) . . ?
C11 N10 C17 106.19(14) . . ?
C11 N10 C15 110.77(15) . . ?
C15 N10 C13 106.11(14) . . ?
C15 N10 C17 111.38(16) . . ?
N1 C4 H4A 108.6 . . ?
N1 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C5 C4 N1 114.72(15) . . ?
C5 C4 H4A 108.6 . . ?
C5 C4 H4B 108.6 . . ?
N1 C2 H2A 108.4 . . ?
N1 C2 H2B 108.4 . . ?
H2A C2 H2B 107.5 . . ?
C3 C2 N1 115.55(15) . . ?
C3 C2 H2A 108.4 . . ?
C3 C2 H2B 108.4 . . ?
N1 C8 H8A 108.3 . . ?
N1 C8 H8B 108.3 . . ?
H8A C8 H8B 107.4 . . ?
C9 C8 N1 115.81(16) . . ?
C9 C8 H8A 108.3 . . ?
C9 C8 H8B 108.3 . . ?
N1 C6 H6A 108.4 . . ?
N1 C6 H6B 108.4 . . ?
H6A C6 H6B 107.5 . . ?
C7 C6 N1 115.36(15) . . ?
C7 C6 H6A 108.4 . . ?
C7 C6 H6B 108.4 . . ?
B35 C37 C31 114.12(16) . . ?
B35 C37 B38 63.37(13) . . ?
B35 C37 B40 113.61(15) . . ?
B35 C37 H37 120.1(16) . . ?
C31 C37 B38 116.02(16) . . ?
C31 C37 B40 64.36(13) . . ?
C31 C37 H37 117.2(16) . . ?
B38 C37 B40 61.67(13) . . ?
B38 C37 H37 115.0(16) . . ?
B40 C37 H37 115.0(15) . . ?
C19 C23 H23 120.5 . . ?
C19 C23 B22 111.78(15) . . ?
C19 C23 B24 112.02(16) . . ?
C19 C23 B29 61.96(14) . . ?
C19 C23 B20 62.01(14) . . ?
B22 C23 H23 118.3 . . ?
B22 C23 B24 62.85(12) . . ?
B22 C23 B29 115.08(15) . . ?
B22 C23 B20 62.86(13) . . ?
B24 C23 H23 118.1 . . ?
B24 C23 B29 62.84(13) . . ?
B24 C23 B20 115.52(15) . . ?
B29 C23 H23 116.9 . . ?
B29 C23 B20 115.89(17) . . ?
B20 C23 H23 116.7 . . ?
N10 C13 H13A 108.5 . . ?
N10 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C14 C13 N10 115.27(16) . . ?
C14 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
N10 C11 H11A 108.5 . . ?
N10 C11 H11B 108.5 . . ?
N10 C11 C12 114.98(16) . . ?
H11A C11 H11B 107.5 . . ?
C12 C11 H11A 108.5 . . ?
C12 C11 H11B 108.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C37 B35 B39 110.85(15) . . ?
C37 B35 B36 111.20(16) . . ?
C37 B35 B38 62.75(13) . . ?
C37 B35 H35 118.9(16) . . ?
B39 B35 B38 61.50(12) . . ?
B39 B35 H35 117.5(16) . . ?
B36 B35 B39 64.00(12) . . ?
B36 B35 B38 115.63(15) . . ?
B36 B35 H35 122.1(16) . . ?
B38 B35 H35 112.0(16) . . ?
N10 C17 H17A 108.3 . . ?
N10 C17 H17B 108.3 . . ?
H17A C17 H17B 107.4 . . ?
C18 C17 N10 115.79(16) . . ?
C18 C17 H17A 108.3 . . ?
C18 C17 H17B 108.3 . . ?
N10 C15 H15A 108.5 . . ?
N10 C15 H15B 108.5 . . ?
H15A C15 H15B 107.5 . . ?
C16 C15 N10 115.28(16) . . ?
C16 C15 H15A 108.5 . . ?
C16 C15 H15B 108.5 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
B32 B25 B22 121.27(14) . . ?
B32 B25 B21 123.41(14) . . ?
B32 B25 B24 121.34(15) . . ?
B32 B25 B28 123.81(15) . . ?
B32 B25 B26 125.21(14) . . ?
B22 B25 B21 58.79(11) . . ?
B22 B25 B24 59.17(11) . . ?
B22 B25 B28 105.65(14) . . ?
B22 B25 B26 105.63(14) . . ?
B21 B25 B28 106.03(14) . . ?
B24 B25 B21 105.80(14) . . ?
B24 B25 B28 58.85(11) . . ?
B24 B25 B26 105.73(14) . . ?
B26 B25 B21 59.27(12) . . ?
B26 B25 B28 59.19(12) . . ?
C54 C61 H61 120.6 . . ?
C54 C61 B64 111.53(16) . . ?
C54 C61 B60 111.97(18) . . ?
C54 C61 B63 61.83(14) . . ?
C54 C61 B56 61.80(15) . . ?
B64 C61 H61 118.5 . . ?
B64 C61 B60 62.71(12) . . ?
B64 C61 B63 62.81(12) . . ?
B64 C61 B56 114.95(16) . . ?
B60 C61 H61 118.0 . . ?
B60 C61 B63 115.36(15) . . ?
B60 C61 B56 63.01(13) . . ?
B63 C61 H61 116.9 . . ?
B63 C61 B56 115.57(18) . . ?
B56 C61 H61 117.0 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
B25 B32 B33 121.37(14) . . ?
B25 B32 B34 123.17(14) . . ?
B25 B32 B39 121.85(14) . . ?
B25 B32 B36 122.75(14) . . ?
B25 B32 B41 121.33(13) . . ?
B33 B32 B34 59.04(11) . . ?
B33 B32 B36 61.78(11) . . ?
B33 B32 B41 107.77(13) . . ?
B39 B32 B33 109.56(13) . . ?
B39 B32 B34 105.55(14) . . ?
B39 B32 B36 60.08(11) . . ?
B39 B32 B41 59.02(11) . . ?
B36 B32 B34 106.64(13) . . ?
B36 B32 B41 107.13(14) . . ?
B41 B32 B34 58.76(11) . . ?
C23 C19 H19 121.3 . . ?
C23 C19 B29 61.36(14) . . ?
C23 C19 B20 61.52(14) . . ?
C23 C19 B30 111.03(16) . . ?
C23 C19 B27 111.12(17) . . ?
B29 C19 H19 117.3 . . ?
B29 C19 B20 114.95(16) . . ?
B20 C19 H19 117.2 . . ?
B30 C19 H19 118.3 . . ?
B30 C19 B29 115.01(17) . . ?
B30 C19 B20 62.58(14) . . ?
B27 C19 H19 118.2 . . ?
B27 C19 B29 62.65(15) . . ?
B27 C19 B20 115.18(17) . . ?
B27 C19 B30 63.24(15) . . ?
C61 C54 H54 121.1 . . ?
C61 C54 B63 61.58(14) . . ?
C61 C54 B65 111.38(16) . . ?
C61 C54 B56 61.65(15) . . ?
C61 C54 B55 110.99(17) . . ?
B63 C54 H54 117.1 . . ?
B63 C54 B56 115.23(16) . . ?
B65 C54 H54 118.0 . . ?
B65 C54 B63 62.72(14) . . ?
B65 C54 B56 115.16(19) . . ?
B65 C54 B55 63.45(16) . . ?
B56 C54 H54 117.3 . . ?
B55 C54 H54 118.4 . . ?
B55 C54 B63 115.25(17) . . ?
B55 C54 B56 62.21(17) . . ?
B59 B47 B44 121.51(16) . . ?
B59 B47 B43 121.01(14) . . ?
B59 B47 B46 122.83(16) . . ?
B59 B47 B50 124.48(16) . . ?
B59 B47 B48 121.00(16) . . ?
B44 B47 B43 59.13(12) . . ?
B46 B47 B44 59.11(12) . . ?
B46 B47 B43 106.65(14) . . ?
B50 B47 B44 106.38(15) . . ?
B50 B47 B43 106.34(16) . . ?
B50 B47 B46 60.16(15) . . ?
B50 B47 B48 60.75(15) . . ?
B48 B47 B44 107.33(15) . . ?
B48 B47 B43 59.21(13) . . ?
B48 B47 B46 109.30(17) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
B47 B59 B64 120.83(14) . . ?
B47 B59 B62 122.89(15) . . ?
B47 B59 B60 121.56(15) . . ?
B47 B59 B58 125.42(15) . . ?
B47 B59 B57 124.41(15) . . ?
B64 B59 B62 58.57(11) . . ?
B64 B59 B60 59.19(11) . . ?
B64 B59 B58 105.33(14) . . ?
B64 B59 B57 105.76(14) . . ?
B60 B59 B62 105.69(14) . . ?
B60 B59 B58 105.87(14) . . ?
B60 B59 B57 59.03(12) . . ?
B58 B59 B62 59.04(12) . . ?
B58 B59 B57 59.36(12) . . ?
B57 B59 B62 106.03(14) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
B32 B33 B36 59.15(10) . . ?
B32 B33 H33A 119.4(12) . . ?
B32 B33 H33B 105.7(18) . . ?
B34 B33 B32 61.23(10) . . ?
B34 B33 B36 106.30(14) . . ?
B34 B33 H33A 119.9(11) . . ?
B34 B33 H33B 128.0(18) . . ?
C31 B33 B32 106.19(14) . . ?
C31 B33 B34 59.04(11) . . ?
C31 B33 B36 102.33(14) . . ?
C31 B33 H33A 125.9(12) . . ?
C31 B33 H33B 81.5(18) . . ?
B36 B33 H33A 124.9(12) . . ?
B36 B33 H33B 47.4(18) . . ?
H33A B33 H33B 110(2) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
B32 B34 H34 122.5 . . ?
B33 B34 B32 59.73(10) . . ?
B33 B34 H34 120.0 . . ?
B33 B34 B41 109.65(14) . . ?
C31 B34 B32 106.11(13) . . ?
C31 B34 B33 60.44(11) . . ?
C31 B34 H34 122.8 . . ?
C31 B34 B41 107.25(15) . . ?
C31 B34 B40 60.66(12) . . ?
B41 B34 B32 60.36(11) . . ?
B41 B34 H34 121.5 . . ?
B40 B34 B32 108.86(15) . . ?
B40 B34 B33 111.26(15) . . ?
B40 B34 H34 120.0 . . ?
B40 B34 B41 60.27(12) . . ?
C23 B22 B25 105.67(14) . . ?
C23 B22 H22 124.8 . . ?
C23 B22 B21 104.55(15) . . ?
C23 B22 B24 58.69(12) . . ?
C23 B22 B20 59.04(12) . . ?
B25 B22 H22 121.1 . . ?
B21 B22 B25 60.98(11) . . ?
B21 B22 H22 122.3 . . ?
B21 B22 B24 108.58(14) . . ?
B21 B22 B20 59.98(12) . . ?
B24 B22 B25 60.51(11) . . ?
B24 B22 H22 121.1 . . ?
B24 B22 B20 108.90(15) . . ?
B20 B22 B25 109.86(15) . . ?
B20 B22 H22 120.7 . . ?
C61 B64 B59 105.83(15) . . ?
C61 B64 H64 124.8 . . ?
C61 B64 B62 104.59(15) . . ?
C61 B64 B60 58.90(12) . . ?
C61 B64 B63 58.95(12) . . ?
B59 B64 H64 120.9 . . ?
B62 B64 B59 61.28(11) . . ?
B62 B64 H64 122.2 . . ?
B62 B64 B60 108.82(15) . . ?
B62 B64 B63 59.87(12) . . ?
B60 B64 B59 60.46(12) . . ?
B60 B64 H64 121.0 . . ?
B60 B64 B63 108.99(15) . . ?
B63 B64 B59 109.97(15) . . ?
B63 B64 H64 120.7 . . ?
B35 B39 B32 103.08(14) . . ?
B35 B39 H39 125.9 . . ?
B35 B39 B36 56.59(11) . . ?
B35 B39 B41 104.73(14) . . ?
B35 B39 B38 59.55(12) . . ?
B32 B39 H39 122.3 . . ?
B32 B39 B36 60.02(11) . . ?
B36 B39 H39 122.0 . . ?
B41 B39 B32 60.99(11) . . ?
B41 B39 H39 121.6 . . ?
B41 B39 B36 108.64(14) . . ?
B38 B39 B32 108.95(15) . . ?
B38 B39 H39 120.7 . . ?
B38 B39 B36 107.79(14) . . ?
B38 B39 B41 60.27(13) . . ?
C37 C31 B33 107.51(15) . . ?
C37 C31 B34 106.47(15) . . ?
C37 C31 B40 61.53(13) . . ?
C37 C31 H31 121.1(14) . . ?
B33 C31 H31 124.3(14) . . ?
B34 C31 B33 60.52(11) . . ?
B34 C31 B40 59.84(12) . . ?
B34 C31 H31 121.5(13) . . ?
B40 C31 B33 110.65(14) . . ?
B40 C31 H31 115.2(14) . . ?
B59 B62 H62 120.8 . . ?
B64 B62 B59 60.15(11) . . ?
B64 B62 H62 122.1 . . ?
B64 B62 B63 60.43(12) . . ?
B64 B62 B58 107.36(15) . . ?
B64 B62 B65 107.72(15) . . ?
B63 B62 B59 109.50(15) . . ?
B63 B62 H62 121.0 . . ?
B63 B62 B58 108.39(16) . . ?
B63 B62 B65 59.88(13) . . ?
B58 B62 B59 60.05(12) . . ?
B58 B62 H62 121.9 . . ?
B58 B62 B65 60.32(13) . . ?
B65 B62 B59 108.95(15) . . ?
B65 B62 H62 121.6 . . ?
B35 B36 B32 105.15(14) . . ?
B35 B36 B33 104.77(14) . . ?
B35 B36 B39 59.41(12) . . ?
B35 B36 H36 122.8(13) . . ?
B35 B36 H33B 87.3(16) . . ?
B32 B36 B33 59.06(10) . . ?
B32 B36 B39 59.90(11) . . ?
B32 B36 H36 122.3(12) . . ?
B32 B36 H33B 100.4(16) . . ?
B33 B36 H36 125.5(14) . . ?
B33 B36 H33B 42.1(16) . . ?
B39 B36 B33 107.26(13) . . ?
B39 B36 H36 118.5(13) . . ?
B39 B36 H33B 129.6(16) . . ?
H36 B36 H33B 111(2) . . ?
B53 C52 H52 119.7(18) . . ?
B42 C52 B53 63.98(17) . . ?
B42 C52 B45 116.93(19) . . ?
B42 C52 H52 119.3(17) . . ?
B45 C52 B53 62.99(16) . . ?
B45 C52 H52 115.2(18) . . ?
C51 C52 B53 116.7(2) . . ?
C51 C52 B42 110.4(2) . . ?
C51 C52 B45 68.2(2) . . ?
C51 C52 H52 116.2(17) . . ?
C51A C52 B53 115.5(3) . . ?
C51A C52 B42 70.6(3) . . ?
C51A C52 B45 104.9(3) . . ?
C51A C52 H52 121.8(18) . . ?
B25 B21 H21 120.7 . . ?
B22 B21 B25 60.23(11) . . ?
B22 B21 H21 122.0 . . ?
B22 B21 B26 107.58(15) . . ?
B22 B21 B20 60.35(13) . . ?
B22 B21 B30 107.79(15) . . ?
B26 B21 B25 60.32(11) . . ?
B26 B21 H21 121.9 . . ?
B20 B21 B25 109.55(15) . . ?
B20 B21 H21 121.0 . . ?
B20 B21 B26 108.34(15) . . ?
B20 B21 B30 60.00(14) . . ?
B30 B21 B25 109.03(15) . . ?
B30 B21 H21 121.6 . . ?
B30 B21 B26 60.10(13) . . ?
B32 B41 H41 121.2 . . ?
B34 B41 B32 60.88(11) . . ?
B34 B41 H41 122.0 . . ?
B39 B41 B32 59.98(11) . . ?
B39 B41 B34 107.98(13) . . ?
B39 B41 H41 121.8 . . ?
B39 B41 B38 59.57(12) . . ?
B39 B41 B40 107.77(14) . . ?
B38 B41 B32 107.60(14) . . ?
B38 B41 B34 106.71(14) . . ?
B38 B41 H41 122.6 . . ?
B38 B41 B40 59.70(13) . . ?
B40 B41 B32 108.48(14) . . ?
B40 B41 B34 59.27(12) . . ?
B40 B41 H41 121.8 . . ?
C23 B24 B25 105.34(15) . . ?
C23 B24 B22 58.46(12) . . ?
C23 B24 H24 125.0 . . ?
C23 B24 B28 104.25(15) . . ?
C23 B24 B29 58.75(13) . . ?
B25 B24 H24 121.3 . . ?
B22 B24 B25 60.32(11) . . ?
B22 B24 H24 121.5 . . ?
B22 B24 B29 108.09(16) . . ?
B28 B24 B25 60.96(11) . . ?
B28 B24 B22 108.21(15) . . ?
B28 B24 H24 122.4 . . ?
B28 B24 B29 59.62(13) . . ?
B29 B24 B25 109.18(15) . . ?
B29 B24 H24 121.3 . . ?
B47 B44 H44 121.6 . . ?
B43 B44 B47 60.54(12) . . ?
B43 B44 H44 122.2 . . ?
B53 B44 B47 108.48(16) . . ?
B53 B44 H44 121.3 . . ?
B53 B44 B43 59.46(12) . . ?
B53 B44 B46 109.15(18) . . ?
B53 B44 B45 59.92(14) . . ?
B46 B44 B47 59.56(12) . . ?
B46 B44 H44 121.1 . . ?
B46 B44 B43 108.13(17) . . ?
B45 B44 B47 107.71(17) . . ?
B45 B44 H44 122.1 . . ?
B45 B44 B43 106.95(17) . . ?
B45 B44 B46 60.71(14) . . ?
C61 B60 B59 105.35(15) . . ?
C61 B60 B64 58.39(12) . . ?
C61 B60 H60 125.0 . . ?
C61 B60 B57 104.28(16) . . ?
C61 B60 B56 58.65(14) . . ?
B59 B60 H60 121.3 . . ?
B64 B60 B59 60.35(11) . . ?
B64 B60 H60 121.6 . . ?
B64 B60 B57 108.08(15) . . ?
B64 B60 B56 107.81(16) . . ?
B57 B60 B59 60.84(12) . . ?
B57 B60 H60 122.5 . . ?
B57 B60 B56 59.63(15) . . ?
B56 B60 B59 108.99(17) . . ?
B56 B60 H60 121.4 . . ?
B25 B28 H28 121.0 . . ?
B24 B28 B25 60.20(11) . . ?
B24 B28 H28 121.9 . . ?
B24 B28 B26 107.63(15) . . ?
B24 B28 B27 107.83(16) . . ?
B26 B28 B25 60.26(11) . . ?
B26 B28 H28 122.0 . . ?
B29 B28 B25 109.15(15) . . ?
B29 B28 B24 60.34(12) . . ?
B29 B28 H28 121.3 . . ?
B29 B28 B26 107.94(17) . . ?
B29 B28 B27 59.96(14) . . ?
B27 B28 B25 108.55(16) . . ?
B27 B28 H28 121.8 . . ?
B27 B28 B26 59.72(13) . . ?
B25 B26 H26 120.7 . . ?
B21 B26 B25 60.41(11) . . ?
B21 B26 H26 122.0 . . ?
B28 B26 B25 60.55(11) . . ?
B28 B26 B21 108.00(14) . . ?
B28 B26 H26 121.7 . . ?
B30 B26 B25 108.82(15) . . ?
B30 B26 B21 59.74(13) . . ?
B30 B26 B28 107.95(16) . . ?
B30 B26 H26 121.7 . . ?
B27 B26 B25 109.12(15) . . ?
B27 B26 B21 107.71(16) . . ?
B27 B26 B28 60.13(13) . . ?
B27 B26 H26 121.6 . . ?
B27 B26 B30 59.85(14) . . ?
B47 B43 H43 122.2 . . ?
B44 B43 B47 60.33(11) . . ?
B44 B43 H43 122.3 . . ?
B53 B43 B47 108.38(15) . . ?
B53 B43 B44 59.53(12) . . ?
B53 B43 H43 120.9 . . ?
B53 B43 B48 110.17(17) . . ?
B53 B43 B42 59.94(14) . . ?
B48 B43 B47 59.27(13) . . ?
B48 B43 B44 108.36(16) . . ?
B48 B43 H43 120.5 . . ?
B42 B43 B47 107.01(17) . . ?
B42 B43 B44 106.55(16) . . ?
B42 B43 H43 122.4 . . ?
B42 B43 B48 61.17(14) . . ?
C61 B63 C54 56.58(13) . . ?
C61 B63 B64 58.23(12) . . ?
C61 B63 B62 103.91(15) . . ?
C61 B63 H63 125.3 . . ?
C61 B63 B65 103.50(17) . . ?
C54 B63 B64 103.73(16) . . ?
C54 B63 B62 104.08(17) . . ?
C54 B63 H63 125.3 . . ?
C54 B63 B65 57.83(14) . . ?
B64 B63 H63 122.5 . . ?
B62 B63 B64 59.71(12) . . ?
B62 B63 H63 123.1 . . ?
B62 B63 B65 60.43(13) . . ?
B65 B63 B64 107.58(16) . . ?
B65 B63 H63 122.5 . . ?
C37 B38 B35 53.88(11) . . ?
C37 B38 B39 101.81(15) . . ?
C37 B38 B41 103.10(16) . . ?
C37 B38 H38 126.8 . . ?
C37 B38 B40 59.41(12) . . ?
B35 B38 B39 58.95(12) . . ?
B35 B38 B41 104.19(15) . . ?
B35 B38 H38 125.6 . . ?
B35 B38 B40 104.00(15) . . ?
B39 B38 B41 60.16(12) . . ?
B39 B38 H38 122.4 . . ?
B39 B38 B40 108.62(16) . . ?
B41 B38 H38 123.2 . . ?
B40 B38 B41 60.17(13) . . ?
B40 B38 H38 121.3 . . ?
B59 B58 H58 120.5 . . ?
B62 B58 B59 60.91(11) . . ?
B62 B58 H58 121.6 . . ?
B62 B58 B65 59.86(13) . . ?
B62 B58 B57 108.45(16) . . ?
B62 B58 B55 107.85(18) . . ?
B65 B58 B59 109.26(16) . . ?
B65 B58 H58 121.6 . . ?
B57 B58 B59 60.59(12) . . ?
B57 B58 H58 121.6 . . ?
B57 B58 B65 107.99(17) . . ?
B55 B58 B59 109.08(17) . . ?
B55 B58 H58 121.7 . . ?
B55 B58 B65 59.83(15) . . ?
B55 B58 B57 59.94(14) . . ?
C54 B65 B62 104.74(16) . . ?
C54 B65 B63 59.45(14) . . ?
C54 B65 B58 104.41(17) . . ?
C54 B65 H65 124.6 . . ?
C54 B65 B55 58.59(16) . . ?
B62 B65 B58 59.82(12) . . ?
B62 B65 H65 122.6 . . ?
B63 B65 B62 59.69(12) . . ?
B63 B65 B58 107.84(15) . . ?
B63 B65 H65 121.1 . . ?
B63 B65 B55 108.59(18) . . ?
B58 B65 H65 122.7 . . ?
B55 B65 B62 107.84(16) . . ?
B55 B65 B58 59.85(15) . . ?
B55 B65 H65 121.4 . . ?
C23 B29 C19 56.68(13) . . ?
C23 B29 B24 58.42(12) . . ?
C23 B29 B28 104.32(15) . . ?
C23 B29 H29 125.2 . . ?
C23 B29 B27 103.71(17) . . ?
C19 B29 B24 104.29(16) . . ?
C19 B29 B28 104.64(16) . . ?
C19 B29 H29 125.0 . . ?
C19 B29 B27 58.03(15) . . ?
B24 B29 H29 122.1 . . ?
B28 B29 B24 60.03(12) . . ?
B28 B29 H29 122.7 . . ?
B28 B29 B27 60.59(14) . . ?
B27 B29 B24 108.09(15) . . ?
B27 B29 H29 122.3 . . ?
C37 B40 B34 100.53(14) . . ?
C37 B40 C31 54.11(12) . . ?
C37 B40 B41 102.71(15) . . ?
C37 B40 B38 58.92(13) . . ?
C37 B40 H40 127.8 . . ?
B34 B40 C31 59.49(12) . . ?
B34 B40 B41 60.46(12) . . ?
B34 B40 B38 107.99(15) . . ?
B34 B40 H40 123.0 . . ?
C31 B40 B41 106.49(15) . . ?
C31 B40 H40 124.0 . . ?
B41 B40 H40 122.4 . . ?
B38 B40 C31 105.10(15) . . ?
B38 B40 B41 60.13(12) . . ?
B38 B40 H40 121.4 . . ?
B59 B57 H57 120.9 . . ?
B60 B57 B59 60.14(11) . . ?
B60 B57 B58 107.27(16) . . ?
B60 B57 H57 121.9 . . ?
B60 B57 B55 107.68(18) . . ?
B58 B57 B59 60.05(12) . . ?
B58 B57 H57 122.3 . . ?
B56 B57 B59 109.15(17) . . ?
B56 B57 B60 60.54(14) . . ?
B56 B57 B58 107.54(17) . . ?
B56 B57 H57 121.4 . . ?
B56 B57 B55 59.53(16) . . ?
B55 B57 B59 108.59(16) . . ?
B55 B57 B58 59.87(14) . . ?
B55 B57 H57 121.9 . . ?
C23 B20 C19 56.47(13) . . ?
C23 B20 B22 58.10(12) . . ?
C23 B20 B21 103.60(15) . . ?
C23 B20 H20 125.5 . . ?
C23 B20 B30 103.35(17) . . ?
C19 B20 B22 103.60(16) . . ?
C19 B20 B21 103.89(17) . . ?
C19 B20 H20 125.3 . . ?
C19 B20 B30 57.96(14) . . ?
B22 B20 H20 122.6 . . ?
B21 B20 B22 59.66(12) . . ?
B21 B20 H20 123.3 . . ?
B21 B20 B30 60.16(13) . . ?
B30 B20 B22 107.38(16) . . ?
B30 B20 H20 122.6 . . ?
C52 B53 B44 102.79(17) . . ?
C52 B53 B43 102.07(17) . . ?
C52 B53 H53 127.4 . . ?
C52 B53 B42 55.81(16) . . ?
C52 B53 B45 57.68(16) . . ?
B44 B53 H53 122.1 . . ?
B43 B53 B44 61.01(12) . . ?
B43 B53 H53 122.2 . . ?
B43 B53 B45 108.31(16) . . ?
B42 B53 B44 107.82(17) . . ?
B42 B53 B43 60.09(14) . . ?
B42 B53 H53 122.8 . . ?
B42 B53 B45 105.6(2) . . ?
B45 B53 B44 60.10(13) . . ?
B45 B53 H53 121.9 . . ?
B47 B46 H46 123.1 . . ?
B47 B46 B50 59.76(13) . . ?
B47 B46 B45 108.11(16) . . ?
B47 B46 C51 99.2(2) . . ?
B44 B46 B47 61.32(12) . . ?
B44 B46 H46 122.2 . . ?
B44 B46 B50 107.79(17) . . ?
B44 B46 B45 59.46(14) . . ?
B44 B46 C51 101.9(2) . . ?
B50 B46 H46 123.2 . . ?
B50 B46 B45 105.9(2) . . ?
B50 B46 C51 53.53(17) . . ?
B45 B46 H46 121.2 . . ?
B45 B46 C51 59.28(17) . . ?
C51 B46 H46 128.9 . . ?
B47 B50 B46 60.07(13) . . ?
B47 B50 B48 59.64(13) . . ?
B47 B50 H50 121.7(15) . . ?
B46 B50 B48 108.33(17) . . ?
B46 B50 H50 117.2(16) . . ?
B48 B50 H50 125.5(16) . . ?
C51 B50 B47 107.8(2) . . ?
C51 B50 B46 64.7(2) . . ?
C51 B50 B48 102.1(2) . . ?
C51 B50 H50 123.1(16) . . ?
C51A B50 B47 106.6(3) . . ?
C51A B50 B46 98.5(3) . . ?
C51A B50 B48 66.5(3) . . ?
C51A B50 H50 129.4(16) . . ?
C19 B30 B21 104.79(16) . . ?
C19 B30 B26 104.35(17) . . ?
C19 B30 B20 59.46(14) . . ?
C19 B30 H30 124.8 . . ?
C19 B30 B27 58.34(15) . . ?
B21 B30 B26 60.16(12) . . ?
B21 B30 H30 122.4 . . ?
B26 B30 H30 122.5 . . ?
B20 B30 B21 59.85(13) . . ?
B20 B30 B26 108.28(16) . . ?
B20 B30 H30 121.0 . . ?
B20 B30 B27 108.58(18) . . ?
B27 B30 B21 108.07(17) . . ?
B27 B30 B26 59.88(14) . . ?
B27 B30 H30 121.5 . . ?
B47 B48 B50 59.61(14) . . ?
B47 B48 B42 107.18(18) . . ?
B47 B48 H48A 122.9(13) . . ?
B47 B48 H48B 124(3) . . ?
B43 B48 B47 61.52(13) . . ?
B43 B48 B50 107.24(18) . . ?
B43 B48 B42 59.15(14) . . ?
B43 B48 H48A 124.9(14) . . ?
B43 B48 H48B 105(3) . . ?
B50 B48 B42 103.86(19) . . ?
B50 B48 H48A 121.3(14) . . ?
B50 B48 H48B 78(3) . . ?
B42 B48 H48A 124.1(13) . . ?
B42 B48 H48B 47(3) . . ?
H48A B48 H48B 109(3) . . ?
C61 B56 C54 56.55(14) . . ?
C61 B56 B60 58.34(12) . . ?
C61 B56 B57 104.19(15) . . ?
C61 B56 H56 125.2 . . ?
C61 B56 B55 103.89(18) . . ?
C54 B56 B60 104.07(16) . . ?
C54 B56 B57 104.72(18) . . ?
C54 B56 H56 124.9 . . ?
C54 B56 B55 58.40(16) . . ?
B60 B56 H56 122.4 . . ?
B57 B56 B60 59.83(13) . . ?
B57 B56 H56 122.8 . . ?
B55 B56 B60 107.91(17) . . ?
B55 B56 B57 60.52(15) . . ?
B55 B56 H56 122.2 . . ?
C19 B27 B28 104.75(17) . . ?
C19 B27 B26 104.71(16) . . ?
C19 B27 B29 59.32(14) . . ?
C19 B27 B30 58.42(14) . . ?
C19 B27 H27 124.7 . . ?
B28 B27 H27 122.4 . . ?
B26 B27 B28 60.15(13) . . ?
B26 B27 H27 122.3 . . ?
B29 B27 B28 59.45(14) . . ?
B29 B27 B26 107.87(16) . . ?
B29 B27 B30 108.33(18) . . ?
B29 B27 H27 121.4 . . ?
B30 B27 B28 108.30(16) . . ?
B30 B27 B26 60.27(14) . . ?
B30 B27 H27 121.3 . . ?
C52 B42 B43 105.32(19) . . ?
C52 B42 B53 60.21(16) . . ?
C52 B42 B48 105.7(2) . . ?
C52 B42 H42 120.3(16) . . ?
C52 B42 H48B 86(3) . . ?
B43 B42 B48 59.69(13) . . ?
B43 B42 H42 125.0(16) . . ?
B43 B42 H48B 97(3) . . ?
B53 B42 B43 59.97(14) . . ?
B53 B42 B48 108.99(18) . . ?
B53 B42 H42 118.2(17) . . ?
B53 B42 H48B 127(3) . . ?
B48 B42 H42 125.4(17) . . ?
B48 B42 H48B 39(3) . . ?
H42 B42 H48B 114(3) . . ?
C52 B45 B44 103.94(17) . . ?
C52 B45 B53 59.33(15) . . ?
C52 B45 B46 103.80(19) . . ?
C52 B45 H45 126.3 . . ?
C52 B45 C51 51.63(19) . . ?
B44 B45 B46 59.83(13) . . ?
B44 B45 H45 123.1 . . ?
B44 B45 C51 103.75(18) . . ?
B53 B45 B44 59.98(13) . . ?
B53 B45 B46 108.50(16) . . ?
B53 B45 H45 122.7 . . ?
B53 B45 C51 100.8(2) . . ?
B46 B45 H45 120.7 . . ?
B46 B45 C51 61.52(18) . . ?
C51 B45 H45 126.8 . . ?
C54 B55 B58 104.30(17) . . ?
C54 B55 B65 57.96(15) . . ?
C54 B55 B57 105.04(18) . . ?
C54 B55 B56 59.39(16) . . ?
C54 B55 H55 124.9 . . ?
B58 B55 B57 60.18(14) . . ?
B58 B55 H55 122.4 . . ?
B65 B55 B58 60.32(14) . . ?
B65 B55 B57 108.58(16) . . ?
B65 B55 H55 121.4 . . ?
B57 B55 H55 122.0 . . ?
B56 B55 B58 108.13(16) . . ?
B56 B55 B65 108.3(2) . . ?
B56 B55 B57 59.96(15) . . ?
B56 B55 H55 121.2 . . ?
C52 C51 B46 108.9(2) . . ?
C52 C51 B50 117.2(3) . . ?
C52 C51 B45 60.17(19) . . ?
C52 C51 H51 122(3) . . ?
B46 C51 H51 115(3) . . ?
B50 C51 B46 61.74(18) . . ?
B50 C51 B45 112.9(2) . . ?
B50 C51 H51 116(3) . . ?
B45 C51 B46 59.20(17) . . ?
B45 C51 H51 115(3) . . ?
C52 C51A B50 125.8(5) . . ?
C52 C51A H48B 105(4) . . ?
C52 C51A H51A 117(5) . . ?
B50 C51A H48B 95(3) . . ?
B50 C51A H51A 111(5) . . ?
H48B C51A H51A 94(6) . . ?

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 N1 C2 C3 -58.7(2) . . . . ?
C4 N1 C8 C9 55.0(2) . . . . ?
C4 N1 C6 C7 175.82(18) . . . . ?
C2 N1 C4 C5 -56.9(2) . . . . ?
C2 N1 C8 C9 176.37(16) . . . . ?
C2 N1 C6 C7 54.6(2) . . . . ?
C8 N1 C4 C5 61.3(2) . . . . ?
C8 N1 C2 C3 -179.79(16) . . . . ?
C8 N1 C6 C7 -63.5(2) . . . . ?
C6 N1 C4 C5 -177.96(16) . . . . ?
C6 N1 C2 C3 59.2(2) . . . . ?
C6 N1 C8 C9 -62.5(2) . . . . ?
C37 B35 B39 B32 -64.33(18) . . . . ?
C37 B35 B39 B36 -104.17(17) . . . . ?
C37 B35 B39 B41 -1.3(2) . . . . ?
C37 B35 B39 B38 40.16(16) . . . . ?
C37 B35 B36 B32 63.41(18) . . . . ?
C37 B35 B36 B33 2.05(19) . . . . ?
C37 B35 B36 B39 103.62(16) . . . . ?
C37 B35 B38 B39 -137.32(16) . . . . ?
C37 B35 B38 B41 -96.03(17) . . . . ?
C37 B35 B38 B40 -33.78(15) . . . . ?
C37 C31 B40 B34 133.48(16) . . . . ?
C37 C31 B40 B41 93.95(17) . . . . ?
C37 C31 B40 B38 31.22(15) . . . . ?
C37 B38 B40 B34 -91.64(15) . . . . ?
C37 B38 B40 C31 -29.36(14) . . . . ?
C37 B38 B40 B41 -129.98(15) . . . . ?
C23 C19 B29 B24 -35.50(14) . . . . ?
C23 C19 B29 B28 -97.71(16) . . . . ?
C23 C19 B29 B27 -138.13(16) . . . . ?
C23 C19 B20 B22 35.66(14) . . . . ?
C23 C19 B20 B21 97.27(16) . . . . ?
C23 C19 B20 B30 137.85(17) . . . . ?
C23 C19 B30 B21 1.4(2) . . . . ?
C23 C19 B30 B26 63.8(2) . . . . ?
C23 C19 B30 B20 -39.19(17) . . . . ?
C23 C19 B30 B27 103.79(19) . . . . ?
C23 C19 B27 B28 -1.0(2) . . . . ?
C23 C19 B27 B26 -63.4(2) . . . . ?
C23 C19 B27 B29 38.90(16) . . . . ?
C23 C19 B27 B30 -103.65(18) . . . . ?
C23 B22 B21 B25 -100.08(15) . . . . ?
C23 B22 B21 B26 -61.31(18) . . . . ?
C23 B22 B21 B20 40.20(15) . . . . ?
C23 B22 B21 B30 2.1(2) . . . . ?
C23 B22 B24 B25 134.99(15) . . . . ?
C23 B22 B24 B28 95.86(16) . . . . ?
C23 B22 B24 B29 32.77(15) . . . . ?
C23 B22 B20 C19 -34.92(14) . . . . ?
C23 B22 B20 B21 -133.24(16) . . . . ?
C23 B22 B20 B30 -95.17(18) . . . . ?
C23 B24 B28 B25 99.86(15) . . . . ?
C23 B24 B28 B26 61.30(18) . . . . ?
C23 B24 B28 B29 -39.71(14) . . . . ?
C23 B24 B28 B27 -1.73(19) . . . . ?
C23 B24 B29 C19 34.72(15) . . . . ?
C23 B24 B29 B28 133.59(17) . . . . ?
C23 B24 B29 B27 95.27(19) . . . . ?
C23 B29 B27 C19 -35.04(14) . . . . ?
C23 B29 B27 B28 98.90(16) . . . . ?
C23 B29 B27 B26 61.8(2) . . . . ?
C23 B29 B27 B30 -2.0(2) . . . . ?
C23 B20 B30 C19 35.09(14) . . . . ?
C23 B20 B30 B21 -98.19(16) . . . . ?
C23 B20 B30 B26 -61.11(19) . . . . ?
C23 B20 B30 B27 2.4(2) . . . . ?
C13 N10 C11 C12 -58.5(2) . . . . ?
C13 N10 C17 C18 57.6(2) . . . . ?
C13 N10 C15 C16 177.91(17) . . . . ?
C11 N10 C13 C14 -56.3(2) . . . . ?
C11 N10 C17 C18 178.59(19) . . . . ?
C11 N10 C15 C16 57.3(2) . . . . ?
B35 C37 C31 B33 -1.3(2) . . . . ?
B35 C37 C31 B34 -64.91(19) . . . . ?
B35 C37 C31 B40 -105.77(17) . . . . ?
B35 C37 B38 B39 36.39(15) . . . . ?
B35 C37 B38 B41 98.15(16) . . . . ?
B35 C37 B38 B40 141.19(16) . . . . ?
B35 C37 B40 B34 67.07(19) . . . . ?
B35 C37 B40 C31 106.55(18) . . . . ?
B35 C37 B40 B41 5.2(2) . . . . ?
B35 C37 B40 B38 -37.69(16) . . . . ?
B35 B39 B36 B32 133.91(15) . . . . ?
B35 B39 B36 B33 97.26(16) . . . . ?
B35 B39 B41 B32 -97.00(15) . . . . ?
B35 B39 B41 B34 -58.11(18) . . . . ?
B35 B39 B41 B38 41.10(14) . . . . ?
B35 B39 B41 B40 4.50(19) . . . . ?
B35 B39 B38 C37 -34.02(14) . . . . ?
B35 B39 B38 B41 -132.48(15) . . . . ?
B35 B39 B38 B40 -95.45(16) . . . . ?
B35 B38 B40 C37 31.45(13) . . . . ?
B35 B38 B40 B34 -60.19(18) . . . . ?
B35 B38 B40 C31 2.09(19) . . . . ?
B35 B38 B40 B41 -98.53(15) . . . . ?
C17 N10 C13 C14 61.8(2) . . . . ?
C17 N10 C11 C12 -179.8(2) . . . . ?
C17 N10 C15 C16 -60.6(2) . . . . ?
C15 N10 C13 C14 -176.74(18) . . . . ?
C15 N10 C11 C12 59.1(2) . . . . ?
C15 N10 C17 C18 -60.7(2) . . . . ?
B25 B32 B33 B34 -112.43(17) . . . . ?
B25 B32 B33 C31 -152.02(15) . . . . ?
B25 B32 B33 B36 113.07(17) . . . . ?
B25 B32 B34 B33 109.46(18) . . . . ?
B25 B32 B34 C31 149.72(16) . . . . ?
B25 B32 B34 B41 -109.28(17) . . . . ?
B25 B32 B34 B40 -146.40(16) . . . . ?
B25 B32 B39 B35 -150.29(15) . . . . ?
B25 B32 B39 B36 -112.17(17) . . . . ?
B25 B32 B39 B41 109.94(16) . . . . ?
B25 B32 B39 B38 147.76(15) . . . . ?
B25 B32 B36 B35 150.69(16) . . . . ?
B25 B32 B36 B33 -110.93(18) . . . . ?
B25 B32 B36 B39 110.72(18) . . . . ?
B25 B32 B41 B34 112.33(17) . . . . ?
B25 B32 B41 B39 -110.80(17) . . . . ?
B25 B32 B41 B38 -147.96(15) . . . . ?
B25 B32 B41 B40 148.92(16) . . . . ?
B25 B22 B21 B26 38.76(13) . . . . ?
B25 B22 B21 B20 140.28(16) . . . . ?
B25 B22 B21 B30 102.18(16) . . . . ?
B25 B22 B24 C23 -134.99(15) . . . . ?
B25 B22 B24 B28 -39.13(14) . . . . ?
B25 B22 B24 B29 -102.22(16) . . . . ?
B25 B22 B20 C23 96.78(16) . . . . ?
B25 B22 B20 C19 61.86(19) . . . . ?
B25 B22 B20 B21 -36.45(14) . . . . ?
B25 B22 B20 B30 1.6(2) . . . . ?
B25 B21 B26 B28 38.84(14) . . . . ?
B25 B21 B26 B30 139.54(16) . . . . ?
B25 B21 B26 B27 102.36(17) . . . . ?
B25 B21 B20 C23 -3.5(2) . . . . ?
B25 B21 B20 C19 -61.74(19) . . . . ?
B25 B21 B20 B22 36.06(14) . . . . ?
B25 B21 B20 B30 -101.22(17) . . . . ?
B25 B21 B30 C19 61.7(2) . . . . ?
B25 B21 B30 B26 -36.61(14) . . . . ?
B25 B21 B30 B20 102.10(16) . . . . ?
B25 B21 B30 B27 0.7(2) . . . . ?
B25 B24 B28 B26 -38.56(14) . . . . ?
B25 B24 B28 B29 -139.56(16) . . . . ?
B25 B24 B28 B27 -101.59(17) . . . . ?
B25 B24 B29 C23 -96.69(16) . . . . ?
B25 B24 B29 C19 -62.0(2) . . . . ?
B25 B24 B29 B28 36.90(15) . . . . ?
B25 B24 B29 B27 -1.4(2) . . . . ?
B25 B28 B26 B21 -38.78(13) . . . . ?
B25 B28 B26 B30 -101.92(16) . . . . ?
B25 B28 B26 B27 -139.28(17) . . . . ?
B25 B28 B29 C23 3.0(2) . . . . ?
B25 B28 B29 C19 61.7(2) . . . . ?
B25 B28 B29 B24 -36.57(15) . . . . ?
B25 B28 B29 B27 100.85(18) . . . . ?
B25 B28 B27 C19 -62.0(2) . . . . ?
B25 B28 B27 B26 36.69(15) . . . . ?
B25 B28 B27 B29 -101.86(16) . . . . ?
B25 B28 B27 B30 -0.9(2) . . . . ?
B25 B26 B30 C19 -62.4(2) . . . . ?
B25 B26 B30 B21 36.60(14) . . . . ?
B25 B26 B30 B20 -0.3(2) . . . . ?
B25 B26 B30 B27 -101.66(17) . . . . ?
B25 B26 B27 C19 61.8(2) . . . . ?
B25 B26 B27 B28 -36.96(15) . . . . ?
B25 B26 B27 B29 -0.2(2) . . . . ?
B25 B26 B27 B30 101.16(17) . . . . ?
C61 C54 B63 B64 35.85(15) . . . . ?
C61 C54 B63 B62 97.56(17) . . . . ?
C61 C54 B63 B65 138.19(17) . . . . ?
C61 C54 B65 B62 1.4(2) . . . . ?
C61 C54 B65 B63 -39.02(17) . . . . ?
C61 C54 B65 B58 63.4(2) . . . . ?
C61 C54 B65 B55 103.6(2) . . . . ?
C61 C54 B56 B60 -35.51(16) . . . . ?
C61 C54 B56 B57 -97.49(17) . . . . ?
C61 C54 B56 B55 -138.10(17) . . . . ?
C61 C54 B55 B58 -63.8(2) . . . . ?
C61 C54 B55 B65 -104.17(18) . . . . ?
C61 C54 B55 B57 -1.4(2) . . . . ?
C61 C54 B55 B56 39.01(16) . . . . ?
C61 B64 B62 B59 -100.30(15) . . . . ?
C61 B64 B62 B63 39.89(15) . . . . ?
C61 B64 B62 B58 -61.79(18) . . . . ?
C61 B64 B62 B65 1.8(2) . . . . ?
C61 B64 B60 B59 135.08(16) . . . . ?
C61 B64 B60 B57 95.95(17) . . . . ?
C61 B64 B60 B56 32.93(16) . . . . ?
C61 B64 B63 C54 -35.10(15) . . . . ?
C61 B64 B63 B62 -133.57(17) . . . . ?
C61 B64 B63 B65 -95.27(18) . . . . ?
C61 B60 B57 B59 99.84(15) . . . . ?
C61 B60 B57 B58 61.24(19) . . . . ?
C61 B60 B57 B56 -39.53(15) . . . . ?
C61 B60 B57 B55 -1.9(2) . . . . ?
C61 B60 B56 C54 34.70(16) . . . . ?
C61 B60 B56 B57 133.76(17) . . . . ?
C61 B60 B56 B55 95.6(2) . . . . ?
C61 B63 B65 C54 34.90(14) . . . . ?
C61 B63 B65 B62 -98.52(16) . . . . ?
C61 B63 B65 B58 -61.62(19) . . . . ?
C61 B63 B65 B55 1.7(2) . . . . ?
C61 B56 B55 C54 -35.03(15) . . . . ?
C61 B56 B55 B58 61.2(2) . . . . ?
C61 B56 B55 B65 -2.7(2) . . . . ?
C61 B56 B55 B57 98.64(16) . . . . ?
B32 B25 B22 C23 -149.12(16) . . . . ?
B32 B25 B22 B21 112.67(17) . . . . ?
B32 B25 B22 B24 -110.25(18) . . . . ?
B32 B25 B22 B20 148.71(16) . . . . ?
B32 B25 B21 B22 -109.11(17) . . . . ?
B32 B25 B21 B26 114.29(17) . . . . ?
B32 B25 B21 B20 -145.22(16) . . . . ?
B32 B25 B21 B30 150.81(16) . . . . ?
B32 B25 B24 C23 148.82(15) . . . . ?
B32 B25 B24 B22 110.13(17) . . . . ?
B32 B25 B24 B28 -113.16(17) . . . . ?
B32 B25 B24 B29 -149.49(16) . . . . ?
B32 B25 B28 B24 109.06(18) . . . . ?
B32 B25 B28 B26 -114.11(18) . . . . ?
B32 B25 B28 B29 145.69(17) . . . . ?
B32 B25 B28 B27 -150.57(17) . . . . ?
B32 B25 B26 B21 -111.38(18) . . . . ?
B32 B25 B26 B28 111.85(18) . . . . ?
B32 B25 B26 B30 -147.70(17) . . . . ?
B32 B25 B26 B27 148.63(17) . . . . ?
B32 B33 B34 C31 -134.46(15) . . . . ?
B32 B33 B34 B41 -35.27(14) . . . . ?
B32 B33 B34 B40 -100.05(16) . . . . ?
B32 B33 C31 C37 -58.74(17) . . . . ?
B32 B33 C31 B34 40.65(13) . . . . ?
B32 B33 C31 B40 6.7(2) . . . . ?
B32 B33 B36 B35 99.03(15) . . . . ?
B32 B33 B36 B39 37.02(13) . . . . ?
B32 B34 C31 C37 61.23(18) . . . . ?
B32 B34 C31 B33 -39.92(13) . . . . ?
B32 B34 C31 B40 102.93(16) . . . . ?
B32 B34 B41 B39 -38.49(13) . . . . ?
B32 B34 B41 B38 -101.19(15) . . . . ?
B32 B34 B41 B40 -138.88(15) . . . . ?
B32 B34 B40 C37 -61.58(17) . . . . ?
B32 B34 B40 C31 -98.30(15) . . . . ?
B32 B34 B40 B41 37.16(13) . . . . ?
B32 B34 B40 B38 -1.03(19) . . . . ?
B32 B39 B36 B35 -133.91(15) . . . . ?
B32 B39 B36 B33 -36.65(13) . . . . ?
B32 B39 B41 B34 38.89(13) . . . . ?
B32 B39 B41 B38 138.10(14) . . . . ?
B32 B39 B41 B40 101.50(16) . . . . ?
B32 B39 B38 C37 60.32(18) . . . . ?
B32 B39 B38 B35 94.34(15) . . . . ?
B32 B39 B38 B41 -38.13(13) . . . . ?
B32 B39 B38 B40 -1.11(19) . . . . ?
B32 B41 B38 C37 -58.89(18) . . . . ?
B32 B41 B38 B35 -3.33(19) . . . . ?
B32 B41 B38 B39 37.35(13) . . . . ?
B32 B41 B38 B40 -101.53(15) . . . . ?
B32 B41 B40 C37 57.73(19) . . . . ?
B32 B41 B40 B34 -37.28(14) . . . . ?
B32 B41 B40 C31 1.8(2) . . . . ?
B32 B41 B40 B38 100.02(15) . . . . ?
C19 C23 B22 B25 -64.7(2) . . . . ?
C19 C23 B22 B21 -1.3(2) . . . . ?
C19 C23 B22 B24 -104.41(18) . . . . ?
C19 C23 B22 B20 39.40(16) . . . . ?
C19 C23 B24 B25 64.45(19) . . . . ?
C19 C23 B24 B22 104.03(17) . . . . ?
C19 C23 B24 B28 1.2(2) . . . . ?
C19 C23 B24 B29 -38.97(16) . . . . ?
C19 C23 B29 B24 138.66(16) . . . . ?
C19 C23 B29 B28 98.30(18) . . . . ?
C19 C23 B29 B27 35.65(15) . . . . ?
C19 C23 B20 B22 -138.13(16) . . . . ?
C19 C23 B20 B21 -97.82(17) . . . . ?
C19 C23 B20 B30 -35.78(15) . . . . ?
C19 B29 B27 B28 133.93(16) . . . . ?
C19 B29 B27 B26 96.84(19) . . . . ?
C19 B29 B27 B30 33.07(15) . . . . ?
C19 B20 B30 B21 -133.28(17) . . . . ?
C19 B20 B30 B26 -96.21(18) . . . . ?
C19 B20 B30 B27 -32.73(16) . . . . ?
C19 B30 B27 B28 -96.40(19) . . . . ?
C19 B30 B27 B26 -133.97(17) . . . . ?
C19 B30 B27 B29 -33.43(16) . . . . ?
C54 C61 B64 B59 -64.7(2) . . . . ?
C54 C61 B64 B62 -1.0(2) . . . . ?
C54 C61 B64 B60 -104.42(19) . . . . ?
C54 C61 B64 B63 39.36(17) . . . . ?
C54 C61 B60 B59 64.20(19) . . . . ?
C54 C61 B60 B64 103.72(18) . . . . ?
C54 C61 B60 B57 1.0(2) . . . . ?
C54 C61 B60 B56 -38.98(17) . . . . ?
C54 C61 B63 B64 -137.99(17) . . . . ?
C54 C61 B63 B62 -97.87(18) . . . . ?
C54 C61 B63 B65 -35.47(15) . . . . ?
C54 C61 B56 B60 138.56(17) . . . . ?
C54 C61 B56 B57 98.45(19) . . . . ?
C54 C61 B56 B55 35.87(16) . . . . ?
C54 B63 B65 B62 -133.42(17) . . . . ?
C54 B63 B65 B58 -96.53(18) . . . . ?
C54 B63 B65 B55 -33.17(16) . . . . ?
C54 B65 B55 B58 -133.79(17) . . . . ?
C54 B65 B55 B57 -96.5(2) . . . . ?
C54 B65 B55 B56 -32.90(16) . . . . ?
C54 B56 B55 B58 96.21(19) . . . . ?
C54 B56 B55 B65 32.35(16) . . . . ?
C54 B56 B55 B57 133.67(17) . . . . ?
B47 B59 B64 C61 -149.65(16) . . . . ?
B47 B59 B64 B62 112.12(18) . . . . ?
B47 B59 B64 B60 -110.72(18) . . . . ?
B47 B59 B64 B63 148.21(16) . . . . ?
B47 B59 B62 B64 -108.66(18) . . . . ?
B47 B59 B62 B63 -144.87(17) . . . . ?
B47 B59 B62 B58 114.63(19) . . . . ?
B47 B59 B62 B65 151.31(17) . . . . ?
B47 B59 B60 C61 148.09(16) . . . . ?
B47 B59 B60 B64 109.51(17) . . . . ?
B47 B59 B60 B57 -113.88(18) . . . . ?
B47 B59 B60 B56 -150.33(17) . . . . ?
B47 B59 B58 B62 -110.52(19) . . . . ?
B47 B59 B58 B65 -147.08(18) . . . . ?
B47 B59 B58 B57 112.6(2) . . . . ?
B47 B59 B58 B55 149.18(18) . . . . ?
B47 B59 B57 B60 109.19(19) . . . . ?
B47 B59 B57 B58 -114.25(19) . . . . ?
B47 B59 B57 B56 146.07(18) . . . . ?
B47 B59 B57 B55 -150.64(19) . . . . ?
B47 B44 B43 B53 139.11(17) . . . . ?
B47 B44 B43 B48 36.04(14) . . . . ?
B47 B44 B43 B42 100.48(17) . . . . ?
B47 B44 B53 C52 59.9(2) . . . . ?
B47 B44 B53 B43 -36.93(15) . . . . ?
B47 B44 B53 B42 2.1(2) . . . . ?
B47 B44 B53 B45 100.20(18) . . . . ?
B47 B44 B46 B50 -38.90(15) . . . . ?
B47 B44 B46 B45 -137.23(19) . . . . ?
B47 B44 B46 C51 -94.1(2) . . . . ?
B47 B44 B45 C52 -60.1(2) . . . . ?
B47 B44 B45 B53 -101.51(17) . . . . ?
B47 B44 B45 B46 37.92(16) . . . . ?
B47 B44 B45 C51 -6.8(2) . . . . ?
B47 B43 B53 C52 -61.2(2) . . . . ?
B47 B43 B53 B44 36.82(15) . . . . ?
B47 B43 B53 B42 -99.43(19) . . . . ?
B47 B43 B53 B45 -1.6(2) . . . . ?
B47 B43 B48 B50 39.56(14) . . . . ?
B47 B43 B48 B42 135.69(18) . . . . ?
B47 B43 B42 C52 60.6(2) . . . . ?
B47 B43 B42 B53 101.76(17) . . . . ?
B47 B43 B42 B48 -38.90(16) . . . . ?
B47 B46 B50 B48 -36.37(15) . . . . ?
B47 B46 B50 C51 -131.4(2) . . . . ?
B47 B46 B50 C51A -104.3(3) . . . . ?
B47 B46 B45 C52 59.5(2) . . . . ?
B47 B46 B45 B44 -38.81(17) . . . . ?
B47 B46 B45 B53 -2.4(3) . . . . ?
B47 B46 B45 C51 90.1(2) . . . . ?
B47 B46 C51 C52 -70.3(3) . . . . ?
B47 B46 C51 B50 41.03(18) . . . . ?
B47 B46 C51 B45 -105.66(18) . . . . ?
B47 B50 B48 B43 -40.46(14) . . . . ?
B47 B50 B48 B42 -102.01(18) . . . . ?
B47 B50 C51 C52 54.8(4) . . . . ?
B47 B50 C51 B46 -43.04(19) . . . . ?
B47 B50 C51 B45 -12.2(4) . . . . ?
B47 B50 C51A C52 -51.9(7) . . . . ?
B47 B48 B42 C52 -58.8(2) . . . . ?
B47 B48 B42 B43 39.99(16) . . . . ?
B47 B48 B42 B53 4.5(3) . . . . ?
B59 B47 B44 B43 109.73(18) . . . . ?
B59 B47 B44 B53 146.20(17) . . . . ?
B59 B47 B44 B46 -112.0(2) . . . . ?
B59 B47 B44 B45 -150.42(17) . . . . ?
B59 B47 B43 B44 -110.55(19) . . . . ?
B59 B47 B43 B53 -147.03(17) . . . . ?
B59 B47 B43 B48 109.95(19) . . . . ?
B59 B47 B43 B42 149.74(17) . . . . ?
B59 B47 B46 B44 109.80(19) . . . . ?
B59 B47 B46 B50 -114.0(2) . . . . ?
B59 B47 B46 B45 147.77(19) . . . . ?
B59 B47 B46 C51 -151.66(19) . . . . ?
B59 B47 B50 B46 111.4(2) . . . . ?
B59 B47 B50 B48 -109.4(2) . . . . ?
B59 B47 B50 C51 156.8(2) . . . . ?
B59 B47 B50 C51A -158.2(3) . . . . ?
B59 B47 B48 B43 -109.97(18) . . . . ?
B59 B47 B48 B50 114.87(19) . . . . ?
B59 B47 B48 B42 -148.85(18) . . . . ?
B59 B64 B62 B63 140.19(15) . . . . ?
B59 B64 B62 B58 38.51(14) . . . . ?
B59 B64 B62 B65 102.10(16) . . . . ?
B59 B64 B60 C61 -135.08(16) . . . . ?
B59 B64 B60 B57 -39.13(14) . . . . ?
B59 B64 B60 B56 -102.15(18) . . . . ?
B59 B64 B63 C61 96.89(17) . . . . ?
B59 B64 B63 C54 61.79(19) . . . . ?
B59 B64 B63 B62 -36.68(14) . . . . ?
B59 B64 B63 B65 1.6(2) . . . . ?
B59 B62 B63 C61 -3.3(2) . . . . ?
B59 B62 B63 C54 -61.78(19) . . . . ?
B59 B62 B63 B64 36.09(14) . . . . ?
B59 B62 B63 B65 -101.12(16) . . . . ?
B59 B62 B58 B65 139.44(16) . . . . ?
B59 B62 B58 B57 38.91(14) . . . . ?
B59 B62 B58 B55 102.34(18) . . . . ?
B59 B62 B65 C54 61.8(2) . . . . ?
B59 B62 B65 B63 102.06(16) . . . . ?
B59 B62 B65 B58 -36.57(15) . . . . ?
B59 B62 B65 B55 0.5(2) . . . . ?
B59 B60 B57 B58 -38.60(14) . . . . ?
B59 B60 B57 B56 -139.37(17) . . . . ?
B59 B60 B57 B55 -101.69(17) . . . . ?
B59 B60 B56 C61 -96.79(17) . . . . ?
B59 B60 B56 C54 -62.1(2) . . . . ?
B59 B60 B56 B57 36.97(15) . . . . ?
B59 B60 B56 B55 -1.2(2) . . . . ?
B59 B58 B65 C54 -61.9(2) . . . . ?
B59 B58 B65 B62 37.01(15) . . . . ?
B59 B58 B65 B63 0.2(2) . . . . ?
B59 B58 B65 B55 -101.38(19) . . . . ?
B59 B58 B57 B60 38.64(14) . . . . ?
B59 B58 B57 B56 102.41(18) . . . . ?
B59 B58 B57 B55 139.44(18) . . . . ?
B59 B58 B55 C54 62.5(2) . . . . ?
B59 B58 B55 B65 101.69(18) . . . . ?
B59 B58 B55 B57 -36.82(16) . . . . ?
B59 B58 B55 B56 0.5(2) . . . . ?
B59 B57 B56 C61 2.6(2) . . . . ?
B59 B57 B56 C54 61.2(2) . . . . ?
B59 B57 B56 B60 -36.71(15) . . . . ?
B59 B57 B56 B55 100.78(18) . . . . ?
B59 B57 B55 C54 -61.6(2) . . . . ?
B59 B57 B55 B58 36.47(16) . . . . ?
B59 B57 B55 B65 -0.9(3) . . . . ?
B59 B57 B55 B56 -101.76(19) . . . . ?
B33 B32 B34 C31 40.26(14) . . . . ?
B33 B32 B34 B41 141.26(15) . . . . ?
B33 B32 B34 B40 104.14(15) . . . . ?
B33 B32 B39 B35 0.30(18) . . . . ?
B33 B32 B39 B36 38.43(13) . . . . ?
B33 B32 B39 B41 -99.46(14) . . . . ?
B33 B32 B39 B38 -61.65(17) . . . . ?
B33 B32 B36 B35 -98.38(15) . . . . ?
B33 B32 B36 B39 -138.35(14) . . . . ?
B33 B32 B41 B34 -34.30(13) . . . . ?
B33 B32 B41 B39 102.58(14) . . . . ?
B33 B32 B41 B38 65.41(17) . . . . ?
B33 B32 B41 B40 2.29(19) . . . . ?
B33 B34 C31 C37 101.15(16) . . . . ?
B33 B34 C31 B40 142.84(16) . . . . ?
B33 B34 B41 B32 35.02(13) . . . . ?
B33 B34 B41 B39 -3.5(2) . . . . ?
B33 B34 B41 B38 -66.17(18) . . . . ?
B33 B34 B41 B40 -103.86(16) . . . . ?
B33 B34 B40 C37 2.41(19) . . . . ?
B33 B34 B40 C31 -34.32(14) . . . . ?
B33 B34 B40 B41 101.14(15) . . . . ?
B33 B34 B40 B38 62.95(18) . . . . ?
B33 C31 B40 C37 -99.29(17) . . . . ?
B33 C31 B40 B34 34.19(14) . . . . ?
B33 C31 B40 B41 -5.3(2) . . . . ?
B33 C31 B40 B38 -68.07(19) . . . . ?
B34 B32 B33 C31 -39.59(14) . . . . ?
B34 B32 B33 B36 -134.50(15) . . . . ?
B34 B32 B39 B35 62.41(16) . . . . ?
B34 B32 B39 B36 100.54(14) . . . . ?
B34 B32 B39 B41 -37.35(12) . . . . ?
B34 B32 B39 B38 0.46(17) . . . . ?
B34 B32 B36 B35 -58.71(17) . . . . ?
B34 B32 B36 B33 39.67(13) . . . . ?
B34 B32 B36 B39 -98.68(15) . . . . ?
B34 B32 B41 B39 136.87(14) . . . . ?
B34 B32 B41 B38 99.71(15) . . . . ?
B34 B32 B41 B40 36.59(14) . . . . ?
B34 B33 C31 C37 -99.39(16) . . . . ?
B34 B33 C31 B40 -33.92(15) . . . . ?
B34 B33 B36 B35 58.39(17) . . . . ?
B34 B33 B36 B32 -40.64(13) . . . . ?
B34 B33 B36 B39 -3.62(18) . . . . ?
B34 C31 B40 C37 -133.48(16) . . . . ?
B34 C31 B40 B41 -39.52(14) . . . . ?
B34 C31 B40 B38 -102.26(16) . . . . ?
B34 B41 B38 C37 5.14(19) . . . . ?
B34 B41 B38 B35 60.71(18) . . . . ?
B34 B41 B38 B39 101.38(15) . . . . ?
B34 B41 B38 B40 -37.49(14) . . . . ?
B34 B41 B40 C37 95.02(15) . . . . ?
B34 B41 B40 C31 39.07(14) . . . . ?
B34 B41 B40 B38 137.30(15) . . . . ?
B22 C23 C19 B29 107.72(17) . . . . ?
B22 C23 C19 B20 -39.76(16) . . . . ?
B22 C23 C19 B30 -0.1(2) . . . . ?
B22 C23 C19 B27 68.3(2) . . . . ?
B22 C23 B24 B25 -39.58(13) . . . . ?
B22 C23 B24 B28 -102.85(15) . . . . ?
B22 C23 B24 B29 -143.00(16) . . . . ?
B22 C23 B29 C19 -102.41(18) . . . . ?
B22 C23 B29 B24 36.25(16) . . . . ?
B22 C23 B29 B28 -4.1(2) . . . . ?
B22 C23 B29 B27 -66.8(2) . . . . ?
B22 C23 B20 C19 138.13(16) . . . . ?
B22 C23 B20 B21 40.31(14) . . . . ?
B22 C23 B20 B30 102.35(16) . . . . ?
B22 B25 B32 B33 -76.9(2) . . . . ?
B22 B25 B32 B34 -148.15(16) . . . . ?
B22 B25 B32 B39 70.3(2) . . . . ?
B22 B25 B32 B36 -2.3(2) . . . . ?
B22 B25 B32 B41 140.97(16) . . . . ?
B22 B25 B21 B26 -136.60(15) . . . . ?
B22 B25 B21 B20 -36.12(15) . . . . ?
B22 B25 B21 B30 -100.08(16) . . . . ?
B22 B25 B24 C23 38.68(14) . . . . ?
B22 B25 B24 B28 136.71(16) . . . . ?
B22 B25 B24 B29 100.37(17) . . . . ?
B22 B25 B28 B24 -37.70(14) . . . . ?
B22 B25 B28 B26 99.14(16) . . . . ?
B22 B25 B28 B29 -1.1(2) . . . . ?
B22 B25 B28 B27 62.68(19) . . . . ?
B22 B25 B26 B21 37.60(13) . . . . ?
B22 B25 B26 B28 -99.16(15) . . . . ?
B22 B25 B26 B30 1.29(19) . . . . ?
B22 B25 B26 B27 -62.38(19) . . . . ?
B22 B21 B26 B25 -38.73(13) . . . . ?
B22 B21 B26 B28 0.12(19) . . . . ?
B22 B21 B26 B30 100.81(16) . . . . ?
B22 B21 B26 B27 63.63(19) . . . . ?
B22 B21 B20 C23 -39.52(14) . . . . ?
B22 B21 B20 C19 -97.81(17) . . . . ?
B22 B21 B20 B30 -137.28(17) . . . . ?
B22 B21 B30 C19 -2.2(2) . . . . ?
B22 B21 B30 B26 -100.45(16) . . . . ?
B22 B21 B30 B20 38.26(15) . . . . ?
B22 B21 B30 B27 -63.2(2) . . . . ?
B22 B24 B28 B25 38.84(14) . . . . ?
B22 B24 B28 B26 0.3(2) . . . . ?
B22 B24 B28 B29 -100.72(17) . . . . ?
B22 B24 B28 B27 -62.75(19) . . . . ?
B22 B24 B29 C23 -32.66(14) . . . . ?
B22 B24 B29 C19 2.1(2) . . . . ?
B22 B24 B29 B28 100.93(16) . . . . ?
B22 B24 B29 B27 62.6(2) . . . . ?
B22 B20 B30 C19 95.44(17) . . . . ?
B22 B20 B30 B21 -37.84(15) . . . . ?
B22 B20 B30 B26 -0.8(2) . . . . ?
B22 B20 B30 B27 62.7(2) . . . . ?
B64 C61 C54 B63 -39.79(16) . . . . ?
B64 C61 C54 B65 -0.3(3) . . . . ?
B64 C61 C54 B56 107.64(18) . . . . ?
B64 C61 C54 B55 68.4(2) . . . . ?
B64 C61 B60 B59 -39.52(14) . . . . ?
B64 C61 B60 B57 -102.68(16) . . . . ?
B64 C61 B60 B56 -142.70(17) . . . . ?
B64 C61 B63 C54 137.99(17) . . . . ?
B64 C61 B63 B62 40.13(14) . . . . ?
B64 C61 B63 B65 102.52(16) . . . . ?
B64 C61 B56 C54 -102.11(18) . . . . ?
B64 C61 B56 B60 36.44(16) . . . . ?
B64 C61 B56 B57 -3.7(2) . . . . ?
B64 C61 B56 B55 -66.2(2) . . . . ?
B64 B59 B62 B63 -36.20(14) . . . . ?
B64 B59 B62 B58 -136.70(16) . . . . ?
B64 B59 B62 B65 -100.02(16) . . . . ?
B64 B59 B60 C61 38.58(14) . . . . ?
B64 B59 B60 B57 136.61(15) . . . . ?
B64 B59 B60 B56 100.16(17) . . . . ?
B64 B59 B58 B62 37.35(14) . . . . ?
B64 B59 B58 B65 0.8(2) . . . . ?
B64 B59 B58 B57 -99.49(16) . . . . ?
B64 B59 B58 B55 -62.9(2) . . . . ?
B64 B59 B57 B60 -37.81(14) . . . . ?
B64 B59 B57 B58 98.75(16) . . . . ?
B64 B59 B57 B56 -0.9(2) . . . . ?
B64 B59 B57 B55 62.4(2) . . . . ?
B64 B62 B63 C61 -39.39(14) . . . . ?
B64 B62 B63 C54 -97.87(17) . . . . ?
B64 B62 B63 B65 -137.20(16) . . . . ?
B64 B62 B58 B59 -38.55(14) . . . . ?
B64 B62 B58 B65 100.89(16) . . . . ?
B64 B62 B58 B57 0.4(2) . . . . ?
B64 B62 B58 B55 63.79(19) . . . . ?
B64 B62 B65 C54 -2.0(2) . . . . ?
B64 B62 B65 B63 38.34(15) . . . . ?
B64 B62 B65 B58 -100.28(17) . . . . ?
B64 B62 B65 B55 -63.2(2) . . . . ?
B64 B60 B57 B59 38.90(13) . . . . ?
B64 B60 B57 B58 0.3(2) . . . . ?
B64 B60 B57 B56 -100.47(17) . . . . ?
B64 B60 B57 B55 -62.79(19) . . . . ?
B64 B60 B56 C61 -32.83(15) . . . . ?
B64 B60 B56 C54 1.9(2) . . . . ?
B64 B60 B56 B57 100.93(17) . . . . ?
B64 B60 B56 B55 62.7(2) . . . . ?
B64 B63 B65 C54 95.44(17) . . . . ?
B64 B63 B65 B62 -37.98(15) . . . . ?
B64 B63 B65 B58 -1.1(2) . . . . ?
B64 B63 B65 B55 62.3(2) . . . . ?
B39 B35 B36 B32 -40.21(13) . . . . ?
B39 B35 B36 B33 -101.57(14) . . . . ?
B39 B35 B38 C37 137.32(16) . . . . ?
B39 B35 B38 B41 41.29(14) . . . . ?
B39 B35 B38 B40 103.54(16) . . . . ?
B39 B32 B33 B34 96.81(15) . . . . ?
B39 B32 B33 C31 57.22(17) . . . . ?
B39 B32 B33 B36 -37.69(13) . . . . ?
B39 B32 B34 B33 -103.79(14) . . . . ?
B39 B32 B34 C31 -63.53(17) . . . . ?
B39 B32 B34 B41 37.47(12) . . . . ?
B39 B32 B34 B40 0.35(17) . . . . ?
B39 B32 B36 B35 39.97(13) . . . . ?
B39 B32 B36 B33 138.35(14) . . . . ?
B39 B32 B41 B34 -136.87(14) . . . . ?
B39 B32 B41 B38 -37.16(14) . . . . ?
B39 B32 B41 B40 -100.28(16) . . . . ?
B39 B41 B38 C37 -96.24(16) . . . . ?
B39 B41 B38 B35 -40.67(14) . . . . ?
B39 B41 B38 B40 -138.87(15) . . . . ?
B39 B41 B40 C37 -5.7(2) . . . . ?
B39 B41 B40 B34 -100.75(15) . . . . ?
B39 B41 B40 C31 -61.7(2) . . . . ?
B39 B41 B40 B38 36.55(14) . . . . ?
B39 B38 B40 C37 92.96(16) . . . . ?
B39 B38 B40 B34 1.3(2) . . . . ?
B39 B38 B40 C31 63.60(18) . . . . ?
B39 B38 B40 B41 -37.01(13) . . . . ?
C31 C37 B35 B39 68.6(2) . . . . ?
C31 C37 B35 B36 -0.5(2) . . . . ?
C31 C37 B35 B38 108.25(17) . . . . ?
C31 C37 B38 B35 -105.31(19) . . . . ?
C31 C37 B38 B39 -68.9(2) . . . . ?
C31 C37 B38 B41 -7.2(2) . . . . ?
C31 C37 B38 B40 35.89(17) . . . . ?
C31 C37 B40 B34 -39.49(14) . . . . ?
C31 C37 B40 B41 -101.31(17) . . . . ?
C31 C37 B40 B38 -144.25(16) . . . . ?
C31 B33 B34 B32 134.46(15) . . . . ?
C31 B33 B34 B41 99.18(17) . . . . ?
C31 B33 B34 B40 34.40(15) . . . . ?
C31 B33 B36 B35 -2.61(16) . . . . ?
C31 B33 B36 B32 -101.64(14) . . . . ?
C31 B33 B36 B39 -64.62(16) . . . . ?
C31 B34 B41 B32 99.07(14) . . . . ?
C31 B34 B41 B39 60.58(18) . . . . ?
C31 B34 B41 B38 -2.13(18) . . . . ?
C31 B34 B41 B40 -39.81(14) . . . . ?
C31 B34 B40 C37 36.72(13) . . . . ?
C31 B34 B40 B41 135.46(15) . . . . ?
C31 B34 B40 B38 97.27(16) . . . . ?
B62 B59 B64 C61 98.23(15) . . . . ?
B62 B59 B64 B60 137.17(15) . . . . ?
B62 B59 B64 B63 36.09(14) . . . . ?
B62 B59 B60 C61 1.53(18) . . . . ?
B62 B59 B60 B64 -37.05(13) . . . . ?
B62 B59 B60 B57 99.56(15) . . . . ?
B62 B59 B60 B56 63.11(19) . . . . ?
B62 B59 B58 B65 -36.56(15) . . . . ?
B62 B59 B58 B57 -136.85(16) . . . . ?
B62 B59 B58 B55 -100.30(18) . . . . ?
B62 B59 B57 B60 -98.95(15) . . . . ?
B62 B59 B57 B58 37.61(15) . . . . ?
B62 B59 B57 B56 -62.1(2) . . . . ?
B62 B59 B57 B55 1.2(2) . . . . ?
B62 B64 B60 C61 -96.03(16) . . . . ?
B62 B64 B60 B59 39.05(13) . . . . ?
B62 B64 B60 B57 -0.08(19) . . . . ?
B62 B64 B60 B56 -63.1(2) . . . . ?
B62 B64 B63 C61 133.57(17) . . . . ?
B62 B64 B63 C54 98.47(18) . . . . ?
B62 B64 B63 B65 38.30(15) . . . . ?
B62 B63 B65 C54 133.42(17) . . . . ?
B62 B63 B65 B58 36.89(15) . . . . ?
B62 B63 B65 B55 100.25(18) . . . . ?
B62 B58 B65 C54 -98.88(18) . . . . ?
B62 B58 B65 B63 -36.83(15) . . . . ?
B62 B58 B65 B55 -138.39(18) . . . . ?
B62 B58 B57 B59 -39.05(14) . . . . ?
B62 B58 B57 B60 -0.4(2) . . . . ?
B62 B58 B57 B56 63.4(2) . . . . ?
B62 B58 B57 B55 100.39(19) . . . . ?
B62 B58 B55 C54 -2.1(2) . . . . ?
B62 B58 B55 B65 37.11(16) . . . . ?
B62 B58 B55 B57 -101.41(17) . . . . ?
B62 B58 B55 B56 -64.1(2) . . . . ?
B62 B65 B55 C54 96.70(18) . . . . ?
B62 B65 B55 B58 -37.09(16) . . . . ?
B62 B65 B55 B57 0.2(3) . . . . ?
B62 B65 B55 B56 63.8(2) . . . . ?
B36 B35 B39 B32 39.84(13) . . . . ?
B36 B35 B39 B41 102.85(15) . . . . ?
B36 B35 B39 B38 144.33(16) . . . . ?
B36 B35 B38 C37 101.77(18) . . . . ?
B36 B35 B38 B39 -35.55(16) . . . . ?
B36 B35 B38 B41 5.7(2) . . . . ?
B36 B35 B38 B40 68.0(2) . . . . ?
B36 B32 B33 B34 134.50(15) . . . . ?
B36 B32 B33 C31 94.91(15) . . . . ?
B36 B32 B34 B33 -40.99(14) . . . . ?
B36 B32 B34 C31 -0.73(19) . . . . ?
B36 B32 B34 B41 100.27(15) . . . . ?
B36 B32 B34 B40 63.15(17) . . . . ?
B36 B32 B39 B35 -38.12(13) . . . . ?
B36 B32 B39 B41 -137.89(14) . . . . ?
B36 B32 B39 B38 -100.07(15) . . . . ?
B36 B32 B41 B34 -99.41(14) . . . . ?
B36 B32 B41 B39 37.46(13) . . . . ?
B36 B32 B41 B38 0.30(18) . . . . ?
B36 B32 B41 B40 -62.82(18) . . . . ?
B36 B33 B34 B32 39.64(13) . . . . ?
B36 B33 B34 C31 -94.81(15) . . . . ?
B36 B33 B34 B41 4.37(19) . . . . ?
B36 B33 B34 B40 -60.41(18) . . . . ?
B36 B33 C31 C37 2.38(17) . . . . ?
B36 B33 C31 B34 101.77(14) . . . . ?
B36 B33 C31 B40 67.84(18) . . . . ?
B36 B39 B41 B32 -37.80(13) . . . . ?
B36 B39 B41 B34 1.09(19) . . . . ?
B36 B39 B41 B38 100.30(16) . . . . ?
B36 B39 B41 B40 63.69(19) . . . . ?
B36 B39 B38 C37 -3.27(19) . . . . ?
B36 B39 B38 B35 30.75(14) . . . . ?
B36 B39 B38 B41 -101.73(15) . . . . ?
B36 B39 B38 B40 -64.71(18) . . . . ?
C52 B53 B42 B43 -133.04(18) . . . . ?
C52 B53 B42 B48 -97.7(2) . . . . ?
C52 B53 B45 B44 131.76(18) . . . . ?
C52 B53 B45 B46 95.4(2) . . . . ?
C52 B53 B45 C51 32.02(17) . . . . ?
C52 B45 C51 B46 140.9(2) . . . . ?
C52 B45 C51 B50 109.2(3) . . . . ?
B21 B25 B32 B33 -5.9(2) . . . . ?
B21 B25 B32 B34 -77.2(2) . . . . ?
B21 B25 B32 B39 141.30(16) . . . . ?
B21 B25 B32 B36 68.7(2) . . . . ?
B21 B25 B32 B41 -148.04(16) . . . . ?
B21 B25 B22 C23 98.21(16) . . . . ?
B21 B25 B22 B24 137.08(15) . . . . ?
B21 B25 B22 B20 36.04(14) . . . . ?
B21 B25 B24 C23 1.43(18) . . . . ?
B21 B25 B24 B22 -37.25(13) . . . . ?
B21 B25 B24 B28 99.46(15) . . . . ?
B21 B25 B24 B29 63.12(18) . . . . ?
B21 B25 B28 B24 -99.05(15) . . . . ?
B21 B25 B28 B26 37.78(14) . . . . ?
B21 B25 B28 B29 -62.42(19) . . . . ?
B21 B25 B28 B27 1.32(19) . . . . ?
B21 B25 B26 B28 -136.77(15) . . . . ?
B21 B25 B26 B30 -36.31(14) . . . . ?
B21 B25 B26 B27 -99.99(18) . . . . ?
B21 B22 B24 C23 -96.08(16) . . . . ?
B21 B22 B24 B25 38.92(13) . . . . ?
B21 B22 B24 B28 -0.22(19) . . . . ?
B21 B22 B24 B29 -63.31(18) . . . . ?
B21 B22 B20 C23 133.24(16) . . . . ?
B21 B22 B20 C19 98.32(17) . . . . ?
B21 B22 B20 B30 38.07(15) . . . . ?
B21 B26 B30 C19 -99.04(17) . . . . ?
B21 B26 B30 B20 -36.94(15) . . . . ?
B21 B26 B30 B27 -138.26(17) . . . . ?
B21 B26 B27 C19 -2.2(2) . . . . ?
B21 B26 B27 B28 -100.99(16) . . . . ?
B21 B26 B27 B29 -64.2(2) . . . . ?
B21 B26 B27 B30 37.13(16) . . . . ?
B21 B20 B30 C19 133.28(17) . . . . ?
B21 B20 B30 B26 37.07(15) . . . . ?
B21 B20 B30 B27 100.55(18) . . . . ?
B21 B30 B27 C19 96.57(18) . . . . ?
B21 B30 B27 B28 0.2(2) . . . . ?
B21 B30 B27 B26 -37.41(15) . . . . ?
B21 B30 B27 B29 63.1(2) . . . . ?
B41 B32 B33 B34 34.18(14) . . . . ?
B41 B32 B33 C31 -5.41(18) . . . . ?
B41 B32 B33 B36 -100.32(15) . . . . ?
B41 B32 B34 B33 -141.26(15) . . . . ?
B41 B32 B34 C31 -101.00(16) . . . . ?
B41 B32 B34 B40 -37.12(13) . . . . ?
B41 B32 B39 B35 99.76(15) . . . . ?
B41 B32 B39 B36 137.89(14) . . . . ?
B41 B32 B39 B38 37.82(13) . . . . ?
B41 B32 B36 B35 2.98(18) . . . . ?
B41 B32 B36 B33 101.36(14) . . . . ?
B41 B32 B36 B39 -36.99(13) . . . . ?
B41 B34 C31 C37 -2.07(19) . . . . ?
B41 B34 C31 B33 -103.22(15) . . . . ?
B41 B34 C31 B40 39.63(14) . . . . ?
B41 B34 B40 C37 -98.74(15) . . . . ?
B41 B34 B40 C31 -135.46(15) . . . . ?
B41 B34 B40 B38 -38.19(13) . . . . ?
B41 B39 B36 B35 -95.68(16) . . . . ?
B41 B39 B36 B32 38.24(13) . . . . ?
B41 B39 B36 B33 1.58(19) . . . . ?
B41 B39 B38 C37 98.46(16) . . . . ?
B41 B39 B38 B35 132.48(15) . . . . ?
B41 B39 B38 B40 37.02(14) . . . . ?
B41 B38 B40 C37 129.98(15) . . . . ?
B41 B38 B40 B34 38.34(13) . . . . ?
B41 B38 B40 C31 100.61(16) . . . . ?
B24 C23 C19 B29 39.34(15) . . . . ?
B24 C23 C19 B20 -108.14(17) . . . . ?
B24 C23 C19 B30 -68.5(2) . . . . ?
B24 C23 C19 B27 -0.1(2) . . . . ?
B24 C23 B22 B25 39.74(14) . . . . ?
B24 C23 B22 B21 103.14(15) . . . . ?
B24 C23 B22 B20 143.81(16) . . . . ?
B24 C23 B29 C19 -138.66(16) . . . . ?
B24 C23 B29 B28 -40.36(15) . . . . ?
B24 C23 B29 B27 -103.01(17) . . . . ?
B24 C23 B20 C19 102.52(19) . . . . ?
B24 C23 B20 B22 -35.60(16) . . . . ?
B24 C23 B20 B21 4.7(2) . . . . ?
B24 C23 B20 B30 66.7(2) . . . . ?
B24 B25 B32 B33 -147.48(15) . . . . ?
B24 B25 B32 B34 141.26(16) . . . . ?
B24 B25 B32 B39 -0.3(2) . . . . ?
B24 B25 B32 B36 -72.9(2) . . . . ?
B24 B25 B32 B41 70.4(2) . . . . ?
B24 B25 B22 C23 -38.87(14) . . . . ?
B24 B25 B22 B21 -137.08(15) . . . . ?
B24 B25 B22 B20 -101.04(17) . . . . ?
B24 B25 B21 B22 37.42(13) . . . . ?
B24 B25 B21 B26 -99.18(14) . . . . ?
B24 B25 B21 B20 1.31(19) . . . . ?
B24 B25 B21 B30 -62.66(18) . . . . ?
B24 B25 B28 B26 136.83(16) . . . . ?
B24 B25 B28 B29 36.63(15) . . . . ?
B24 B25 B28 B27 100.37(17) . . . . ?
B24 B25 B26 B21 99.30(15) . . . . ?
B24 B25 B26 B28 -37.46(14) . . . . ?
B24 B25 B26 B30 62.99(18) . . . . ?
B24 B25 B26 B27 -0.7(2) . . . . ?
B24 B22 B21 B25 -38.70(13) . . . . ?
B24 B22 B21 B26 0.06(19) . . . . ?
B24 B22 B21 B20 101.57(17) . . . . ?
B24 B22 B21 B30 63.47(19) . . . . ?
B24 B22 B20 C23 32.23(15) . . . . ?
B24 B22 B20 C19 -2.7(2) . . . . ?
B24 B22 B20 B21 -101.01(15) . . . . ?
B24 B22 B20 B30 -62.95(19) . . . . ?
B24 B28 B26 B25 38.53(14) . . . . ?
B24 B28 B26 B21 -0.2(2) . . . . ?
B24 B28 B26 B30 -63.40(18) . . . . ?
B24 B28 B26 B27 -100.75(17) . . . . ?
B24 B28 B29 C23 39.55(15) . . . . ?
B24 B28 B29 C19 98.27(17) . . . . ?
B24 B28 B29 B27 137.42(17) . . . . ?
B24 B28 B27 C19 1.7(2) . . . . ?
B24 B28 B27 B26 100.41(16) . . . . ?
B24 B28 B27 B29 -38.14(15) . . . . ?
B24 B28 B27 B30 62.8(2) . . . . ?
B24 B29 B27 C19 -95.87(18) . . . . ?
B24 B29 B27 B28 38.07(15) . . . . ?
B24 B29 B27 B26 1.0(2) . . . . ?
B24 B29 B27 B30 -62.8(2) . . . . ?
B44 B47 B59 B64 -79.1(2) . . . . ?
B44 B47 B59 B62 -8.8(2) . . . . ?
B44 B47 B59 B60 -149.60(16) . . . . ?
B44 B47 B59 B58 64.3(2) . . . . ?
B44 B47 B59 B57 138.54(18) . . . . ?
B44 B47 B43 B53 -36.47(15) . . . . ?
B44 B47 B43 B48 -139.49(17) . . . . ?
B44 B47 B43 B42 -99.71(17) . . . . ?
B44 B47 B46 B50 136.21(18) . . . . ?
B44 B47 B46 B45 37.98(17) . . . . ?
B44 B47 B46 C51 98.54(19) . . . . ?
B44 B47 B50 B46 -38.25(16) . . . . ?
B44 B47 B50 B48 101.03(16) . . . . ?
B44 B47 B50 C51 7.2(3) . . . . ?
B44 B47 B50 C51A 52.1(4) . . . . ?
B44 B47 B48 B43 35.74(14) . . . . ?
B44 B47 B48 B50 -99.42(16) . . . . ?
B44 B47 B48 B42 -3.1(2) . . . . ?
B44 B43 B53 C52 -98.06(18) . . . . ?
B44 B43 B53 B42 -136.25(19) . . . . ?
B44 B43 B53 B45 -38.40(17) . . . . ?
B44 B43 B48 B47 -36.49(14) . . . . ?
B44 B43 B48 B50 3.1(2) . . . . ?
B44 B43 B48 B42 99.20(18) . . . . ?
B44 B43 B42 C52 -2.7(2) . . . . ?
B44 B43 B42 B53 38.45(16) . . . . ?
B44 B43 B42 B48 -102.21(17) . . . . ?
B44 B53 B42 C52 93.59(19) . . . . ?
B44 B53 B42 B43 -39.44(16) . . . . ?
B44 B53 B42 B48 -4.1(3) . . . . ?
B44 B53 B45 C52 -131.76(18) . . . . ?
B44 B53 B45 B46 -36.36(18) . . . . ?
B44 B53 B45 C51 -99.74(19) . . . . ?
B44 B46 B50 B47 39.62(15) . . . . ?
B44 B46 B50 B48 3.2(2) . . . . ?
B44 B46 B50 C51 -91.8(2) . . . . ?
B44 B46 B50 C51A -64.7(3) . . . . ?
B44 B46 B45 C52 98.28(18) . . . . ?
B44 B46 B45 B53 36.43(18) . . . . ?
B44 B46 B45 C51 128.9(2) . . . . ?
B44 B46 C51 C52 -7.9(3) . . . . ?
B44 B46 C51 B50 103.47(19) . . . . ?
B44 B46 C51 B45 -43.22(17) . . . . ?
B44 B45 C51 C52 -97.04(19) . . . . ?
B44 B45 C51 B46 43.83(18) . . . . ?
B44 B45 C51 B50 12.1(3) . . . . ?
B60 C61 C54 B63 -107.93(17) . . . . ?
B60 C61 C54 B65 -68.4(2) . . . . ?
B60 C61 C54 B56 39.49(17) . . . . ?
B60 C61 C54 B55 0.2(2) . . . . ?
B60 C61 B64 B59 39.69(14) . . . . ?
B60 C61 B64 B62 103.44(16) . . . . ?
B60 C61 B64 B63 143.79(17) . . . . ?
B60 C61 B63 C54 102.5(2) . . . . ?
B60 C61 B63 B64 -35.52(16) . . . . ?
B60 C61 B63 B62 4.6(2) . . . . ?
B60 C61 B63 B65 67.0(2) . . . . ?
B60 C61 B56 C54 -138.56(17) . . . . ?
B60 C61 B56 B57 -40.10(15) . . . . ?
B60 C61 B56 B55 -102.69(18) . . . . ?
B60 B59 B64 C61 -38.94(14) . . . . ?
B60 B59 B64 B62 -137.17(15) . . . . ?
B60 B59 B64 B63 -101.08(16) . . . . ?
B60 B59 B62 B64 37.34(13) . . . . ?
B60 B59 B62 B63 1.13(19) . . . . ?
B60 B59 B62 B58 -99.37(16) . . . . ?
B60 B59 B62 B65 -62.69(18) . . . . ?
B60 B59 B58 B62 99.05(15) . . . . ?
B60 B59 B58 B65 62.48(19) . . . . ?
B60 B59 B58 B57 -37.80(15) . . . . ?
B60 B59 B58 B55 -1.3(2) . . . . ?
B60 B59 B57 B58 136.56(16) . . . . ?
B60 B59 B57 B56 36.88(16) . . . . ?
B60 B59 B57 B55 100.2(2) . . . . ?
B60 B64 B62 B59 -38.68(13) . . . . ?
B60 B64 B62 B63 101.52(16) . . . . ?
B60 B64 B62 B58 -0.17(19) . . . . ?
B60 B64 B62 B65 63.43(18) . . . . ?
B60 B64 B63 C61 32.34(15) . . . . ?
B60 B64 B63 C54 -2.8(2) . . . . ?
B60 B64 B63 B62 -101.23(16) . . . . ?
B60 B64 B63 B65 -62.93(19) . . . . ?
B60 B57 B56 C61 39.36(15) . . . . ?
B60 B57 B56 C54 97.93(18) . . . . ?
B60 B57 B56 B55 137.49(18) . . . . ?
B60 B57 B55 C54 2.0(2) . . . . ?
B60 B57 B55 B58 100.10(17) . . . . ?
B60 B57 B55 B65 62.7(2) . . . . ?
B60 B57 B55 B56 -38.13(16) . . . . ?
B60 B56 B55 C54 -95.80(19) . . . . ?
B60 B56 B55 B58 0.4(3) . . . . ?
B60 B56 B55 B65 -63.5(2) . . . . ?
B60 B56 B55 B57 37.87(16) . . . . ?
B28 B25 B32 B33 141.26(16) . . . . ?
B28 B25 B32 B34 70.0(2) . . . . ?
B28 B25 B32 B39 -71.6(2) . . . . ?
B28 B25 B32 B36 -144.19(17) . . . . ?
B28 B25 B32 B41 -0.9(2) . . . . ?
B28 B25 B22 C23 -1.32(19) . . . . ?
B28 B25 B22 B21 -99.53(15) . . . . ?
B28 B25 B22 B24 37.55(14) . . . . ?
B28 B25 B22 B20 -63.49(18) . . . . ?
B28 B25 B21 B22 98.86(15) . . . . ?
B28 B25 B21 B26 -37.74(13) . . . . ?
B28 B25 B21 B20 62.75(18) . . . . ?
B28 B25 B21 B30 -1.22(19) . . . . ?
B28 B25 B24 C23 -98.03(16) . . . . ?
B28 B25 B24 B22 -136.71(16) . . . . ?
B28 B25 B24 B29 -36.33(15) . . . . ?
B28 B25 B26 B21 136.77(15) . . . . ?
B28 B25 B26 B30 100.45(17) . . . . ?
B28 B25 B26 B27 36.78(16) . . . . ?
B28 B24 B29 C23 -133.59(17) . . . . ?
B28 B24 B29 C19 -98.87(18) . . . . ?
B28 B24 B29 B27 -38.32(17) . . . . ?
B28 B26 B30 C19 1.7(2) . . . . ?
B28 B26 B30 B21 100.78(15) . . . . ?
B28 B26 B30 B20 63.8(2) . . . . ?
B28 B26 B30 B27 -37.48(16) . . . . ?
B28 B26 B27 C19 98.78(18) . . . . ?
B28 B26 B27 B29 36.79(16) . . . . ?
B28 B26 B27 B30 138.12(17) . . . . ?
B28 B29 B27 C19 -133.93(16) . . . . ?
B28 B29 B27 B26 -37.10(16) . . . . ?
B28 B29 B27 B30 -100.86(17) . . . . ?
B26 B25 B32 B33 67.6(2) . . . . ?
B26 B25 B32 B34 -3.6(3) . . . . ?
B26 B25 B32 B39 -145.18(17) . . . . ?
B26 B25 B32 B36 142.19(17) . . . . ?
B26 B25 B32 B41 -74.5(2) . . . . ?
B26 B25 B22 C23 60.39(17) . . . . ?
B26 B25 B22 B21 -37.83(13) . . . . ?
B26 B25 B22 B24 99.25(15) . . . . ?
B26 B25 B22 B20 -1.79(19) . . . . ?
B26 B25 B21 B22 136.60(15) . . . . ?
B26 B25 B21 B20 100.49(17) . . . . ?
B26 B25 B21 B30 36.52(15) . . . . ?
B26 B25 B24 C23 -60.41(17) . . . . ?
B26 B25 B24 B22 -99.09(15) . . . . ?
B26 B25 B24 B28 37.62(14) . . . . ?
B26 B25 B24 B29 1.29(19) . . . . ?
B26 B25 B28 B24 -136.83(16) . . . . ?
B26 B25 B28 B29 -100.20(18) . . . . ?
B26 B25 B28 B27 -36.46(16) . . . . ?
B26 B21 B20 C23 60.7(2) . . . . ?
B26 B21 B20 C19 2.4(2) . . . . ?
B26 B21 B20 B22 100.22(16) . . . . ?
B26 B21 B20 B30 -37.06(16) . . . . ?
B26 B21 B30 C19 98.28(18) . . . . ?
B26 B21 B30 B20 138.71(17) . . . . ?
B26 B21 B30 B27 37.28(16) . . . . ?
B26 B28 B29 C23 -60.94(19) . . . . ?
B26 B28 B29 C19 -2.2(2) . . . . ?
B26 B28 B29 B24 -100.49(16) . . . . ?
B26 B28 B29 B27 36.93(15) . . . . ?
B26 B28 B27 C19 -98.73(18) . . . . ?
B26 B28 B27 B29 -138.55(17) . . . . ?
B26 B28 B27 B30 -37.63(16) . . . . ?
B26 B30 B27 C19 133.97(17) . . . . ?
B26 B30 B27 B28 37.57(16) . . . . ?
B26 B30 B27 B29 100.54(17) . . . . ?
B43 B47 B59 B64 -8.6(3) . . . . ?
B43 B47 B59 B62 61.7(2) . . . . ?
B43 B47 B59 B60 -79.1(2) . . . . ?
B43 B47 B59 B58 134.76(19) . . . . ?
B43 B47 B59 B57 -150.95(18) . . . . ?
B43 B47 B44 B53 36.47(15) . . . . ?
B43 B47 B44 B46 138.29(17) . . . . ?
B43 B47 B44 B45 99.85(17) . . . . ?
B43 B47 B46 B44 -36.59(16) . . . . ?
B43 B47 B46 B50 99.61(17) . . . . ?
B43 B47 B46 B45 1.4(2) . . . . ?
B43 B47 B46 C51 62.0(2) . . . . ?
B43 B47 B50 B46 -100.14(17) . . . . ?
B43 B47 B50 B48 39.14(15) . . . . ?
B43 B47 B50 C51 -54.7(3) . . . . ?
B43 B47 B50 C51A -9.7(4) . . . . ?
B43 B47 B48 B50 -135.16(16) . . . . ?
B43 B47 B48 B42 -38.88(17) . . . . ?
B43 B44 B53 C52 96.86(18) . . . . ?
B43 B44 B53 B42 39.02(17) . . . . ?
B43 B44 B53 B45 137.13(19) . . . . ?
B43 B44 B46 B47 37.56(15) . . . . ?
B43 B44 B46 B50 -1.3(2) . . . . ?
B43 B44 B46 B45 -99.67(18) . . . . ?
B43 B44 B46 C51 -56.6(2) . . . . ?
B43 B44 B45 C52 3.6(2) . . . . ?
B43 B44 B45 B53 -37.77(16) . . . . ?
B43 B44 B45 B46 101.66(18) . . . . ?
B43 B44 B45 C51 56.9(2) . . . . ?
B43 B53 B42 C52 133.04(19) . . . . ?
B43 B53 B42 B48 35.36(17) . . . . ?
B43 B53 B45 C52 -92.95(19) . . . . ?
B43 B53 B45 B44 38.81(17) . . . . ?
B43 B53 B45 B46 2.5(3) . . . . ?
B43 B53 B45 C51 -60.9(2) . . . . ?
B43 B48 B42 C52 -98.8(2) . . . . ?
B43 B48 B42 B53 -35.48(18) . . . . ?
B63 C61 C54 B65 39.51(17) . . . . ?
B63 C61 C54 B56 147.43(17) . . . . ?
B63 C61 C54 B55 108.17(19) . . . . ?
B63 C61 B64 B59 -104.10(16) . . . . ?
B63 C61 B64 B62 -40.35(15) . . . . ?
B63 C61 B64 B60 -143.79(17) . . . . ?
B63 C61 B60 B59 -4.0(2) . . . . ?
B63 C61 B60 B64 35.56(17) . . . . ?
B63 C61 B60 B57 -67.1(2) . . . . ?
B63 C61 B60 B56 -107.1(2) . . . . ?
B63 C61 B56 C54 -31.75(16) . . . . ?
B63 C61 B56 B60 106.81(17) . . . . ?
B63 C61 B56 B57 66.7(2) . . . . ?
B63 C61 B56 B55 4.1(2) . . . . ?
B63 C54 B65 B62 40.42(15) . . . . ?
B63 C54 B65 B58 102.45(16) . . . . ?
B63 C54 B65 B55 142.58(17) . . . . ?
B63 C54 B56 C61 31.57(18) . . . . ?
B63 C54 B56 B60 -3.9(3) . . . . ?
B63 C54 B56 B57 -65.9(2) . . . . ?
B63 C54 B56 B55 -106.5(2) . . . . ?
B63 C54 B55 B58 3.7(2) . . . . ?
B63 C54 B55 B65 -36.67(17) . . . . ?
B63 C54 B55 B57 66.1(2) . . . . ?
B63 C54 B55 B56 106.52(19) . . . . ?
B63 B64 B62 B59 -140.19(15) . . . . ?
B63 B64 B62 B58 -101.69(17) . . . . ?
B63 B64 B62 B65 -38.09(15) . . . . ?
B63 B64 B60 C61 -32.36(15) . . . . ?
B63 B64 B60 B59 102.71(16) . . . . ?
B63 B64 B60 B57 63.58(18) . . . . ?
B63 B64 B60 B56 0.6(2) . . . . ?
B63 B62 B58 B59 -102.38(16) . . . . ?
B63 B62 B58 B65 37.05(15) . . . . ?
B63 B62 B58 B57 -63.5(2) . . . . ?
B63 B62 B58 B55 0.0(2) . . . . ?
B63 B62 B65 C54 -40.30(16) . . . . ?
B63 B62 B65 B58 -138.62(17) . . . . ?
B63 B62 B65 B55 -101.5(2) . . . . ?
B63 B65 B55 C54 33.51(15) . . . . ?
B63 B65 B55 B58 -100.27(17) . . . . ?
B63 B65 B55 B57 -63.0(2) . . . . ?
B63 B65 B55 B56 0.6(2) . . . . ?
B38 C37 B35 B39 -39.61(15) . . . . ?
B38 C37 B35 B36 -108.79(17) . . . . ?
B38 C37 C31 B33 69.5(2) . . . . ?
B38 C37 C31 B34 5.9(2) . . . . ?
B38 C37 C31 B40 -34.91(16) . . . . ?
B38 C37 B40 B34 104.76(15) . . . . ?
B38 C37 B40 C31 144.25(16) . . . . ?
B38 C37 B40 B41 42.94(14) . . . . ?
B38 B35 B39 B32 -104.49(16) . . . . ?
B38 B35 B39 B36 -144.33(16) . . . . ?
B38 B35 B39 B41 -41.47(15) . . . . ?
B38 B35 B36 B32 -5.6(2) . . . . ?
B38 B35 B36 B33 -66.93(19) . . . . ?
B38 B35 B36 B39 34.64(15) . . . . ?
B38 B39 B36 B35 -31.87(15) . . . . ?
B38 B39 B36 B32 102.04(16) . . . . ?
B38 B39 B36 B33 65.39(18) . . . . ?
B38 B39 B41 B32 -138.10(14) . . . . ?
B38 B39 B41 B34 -99.21(16) . . . . ?
B38 B39 B41 B40 -36.60(15) . . . . ?
B38 B41 B40 C37 -42.28(14) . . . . ?
B38 B41 B40 B34 -137.30(15) . . . . ?
B38 B41 B40 C31 -98.23(17) . . . . ?
B58 B59 B64 C61 60.66(18) . . . . ?
B58 B59 B64 B62 -37.57(14) . . . . ?
B58 B59 B64 B60 99.59(15) . . . . ?
B58 B59 B64 B63 -1.48(19) . . . . ?
B58 B59 B62 B64 136.70(16) . . . . ?
B58 B59 B62 B63 100.50(17) . . . . ?
B58 B59 B62 B65 36.68(16) . . . . ?
B58 B59 B60 C61 -60.07(18) . . . . ?
B58 B59 B60 B64 -98.65(15) . . . . ?
B58 B59 B60 B57 37.96(14) . . . . ?
B58 B59 B60 B56 1.5(2) . . . . ?
B58 B59 B57 B60 -136.56(16) . . . . ?
B58 B59 B57 B56 -99.68(19) . . . . ?
B58 B59 B57 B55 -36.39(17) . . . . ?
B58 B62 B63 C61 60.6(2) . . . . ?
B58 B62 B63 C54 2.1(2) . . . . ?
B58 B62 B63 B64 99.96(16) . . . . ?
B58 B62 B63 B65 -37.24(15) . . . . ?
B58 B62 B65 C54 98.32(19) . . . . ?
B58 B62 B65 B63 138.62(17) . . . . ?
B58 B62 B65 B55 37.10(18) . . . . ?
B58 B65 B55 C54 133.79(17) . . . . ?
B58 B65 B55 B57 37.32(18) . . . . ?
B58 B65 B55 B56 100.88(18) . . . . ?
B58 B57 B56 C61 -61.0(2) . . . . ?
B58 B57 B56 C54 -2.4(2) . . . . ?
B58 B57 B56 B60 -100.32(16) . . . . ?
B58 B57 B56 B55 37.18(16) . . . . ?
B58 B57 B55 C54 -98.09(18) . . . . ?
B58 B57 B55 B65 -37.38(18) . . . . ?
B58 B57 B55 B56 -138.23(19) . . . . ?
B65 C54 B63 C61 -138.19(17) . . . . ?
B65 C54 B63 B64 -102.34(17) . . . . ?
B65 C54 B63 B62 -40.64(15) . . . . ?
B65 C54 B56 C61 101.78(19) . . . . ?
B65 C54 B56 B60 66.3(2) . . . . ?
B65 C54 B56 B57 4.3(2) . . . . ?
B65 C54 B56 B55 -36.32(18) . . . . ?
B65 C54 B55 B58 40.34(16) . . . . ?
B65 C54 B55 B57 102.77(18) . . . . ?
B65 C54 B55 B56 143.18(16) . . . . ?
B65 B62 B63 C61 97.82(18) . . . . ?
B65 B62 B63 C54 39.34(15) . . . . ?
B65 B62 B63 B64 137.20(16) . . . . ?
B65 B62 B58 B59 -139.44(16) . . . . ?
B65 B62 B58 B57 -100.53(18) . . . . ?
B65 B62 B58 B55 -37.09(16) . . . . ?
B65 B58 B57 B59 -102.42(16) . . . . ?
B65 B58 B57 B60 -63.78(19) . . . . ?
B65 B58 B57 B56 0.0(2) . . . . ?
B65 B58 B57 B55 37.02(17) . . . . ?
B65 B58 B55 C54 -39.16(16) . . . . ?
B65 B58 B55 B57 -138.52(19) . . . . ?
B65 B58 B55 B56 -101.2(2) . . . . ?
B29 C23 C19 B20 -147.48(17) . . . . ?
B29 C23 C19 B30 -107.8(2) . . . . ?
B29 C23 C19 B27 -39.46(16) . . . . ?
B29 C23 B22 B25 3.5(2) . . . . ?
B29 C23 B22 B21 66.9(2) . . . . ?
B29 C23 B22 B24 -36.24(16) . . . . ?
B29 C23 B22 B20 107.57(19) . . . . ?
B29 C23 B24 B25 103.42(16) . . . . ?
B29 C23 B24 B22 143.00(16) . . . . ?
B29 C23 B24 B28 40.14(14) . . . . ?
B29 C23 B20 C19 31.83(16) . . . . ?
B29 C23 B20 B22 -106.30(18) . . . . ?
B29 C23 B20 B21 -66.0(2) . . . . ?
B29 C23 B20 B30 -3.9(2) . . . . ?
B29 C19 B20 C23 -31.36(17) . . . . ?
B29 C19 B20 B22 4.3(2) . . . . ?
B29 C19 B20 B21 65.9(2) . . . . ?
B29 C19 B20 B30 106.5(2) . . . . ?
B29 C19 B30 B21 -65.8(2) . . . . ?
B29 C19 B30 B26 -3.4(2) . . . . ?
B29 C19 B30 B20 -106.40(19) . . . . ?
B29 C19 B30 B27 36.58(17) . . . . ?
B29 C19 B27 B28 -39.89(15) . . . . ?
B29 C19 B27 B26 -102.30(17) . . . . ?
B29 C19 B27 B30 -142.55(16) . . . . ?
B29 B24 B28 B25 139.56(16) . . . . ?
B29 B24 B28 B26 101.01(17) . . . . ?
B29 B24 B28 B27 37.97(15) . . . . ?
B29 B28 B26 B25 102.24(16) . . . . ?
B29 B28 B26 B21 63.47(18) . . . . ?
B29 B28 B26 B30 0.3(2) . . . . ?
B29 B28 B26 B27 -37.03(16) . . . . ?
B29 B28 B27 C19 39.83(16) . . . . ?
B29 B28 B27 B26 138.55(17) . . . . ?
B29 B28 B27 B30 100.9(2) . . . . ?
B40 C37 B35 B39 -2.6(2) . . . . ?
B40 C37 B35 B36 -71.8(2) . . . . ?
B40 C37 B35 B38 37.02(16) . . . . ?
B40 C37 C31 B33 104.46(15) . . . . ?
B40 C37 C31 B34 40.86(14) . . . . ?
B40 C37 B38 B35 -141.19(16) . . . . ?
B40 C37 B38 B39 -104.80(16) . . . . ?
B40 C37 B38 B41 -43.05(14) . . . . ?
B40 B34 C31 C37 -41.70(15) . . . . ?
B40 B34 C31 B33 -142.84(16) . . . . ?
B40 B34 B41 B32 138.88(15) . . . . ?
B40 B34 B41 B39 100.39(16) . . . . ?
B40 B34 B41 B38 37.69(14) . . . . ?
B40 B41 B38 C37 42.63(14) . . . . ?
B40 B41 B38 B35 98.20(16) . . . . ?
B40 B41 B38 B39 138.87(15) . . . . ?
B57 B59 B64 C61 -1.20(19) . . . . ?
B57 B59 B64 B62 -99.43(15) . . . . ?
B57 B59 B64 B60 37.74(14) . . . . ?
B57 B59 B64 B63 -63.34(18) . . . . ?
B57 B59 B62 B64 98.95(16) . . . . ?
B57 B59 B62 B63 62.74(19) . . . . ?
B57 B59 B62 B58 -37.75(15) . . . . ?
B57 B59 B62 B65 -1.1(2) . . . . ?
B57 B59 B60 C61 -98.02(17) . . . . ?
B57 B59 B60 B64 -136.61(15) . . . . ?
B57 B59 B60 B56 -36.45(16) . . . . ?
B57 B59 B58 B62 136.85(16) . . . . ?
B57 B59 B58 B65 100.29(19) . . . . ?
B57 B59 B58 B55 36.55(17) . . . . ?
B57 B60 B56 C61 -133.76(17) . . . . ?
B57 B60 B56 C54 -99.1(2) . . . . ?
B57 B60 B56 B55 -38.18(18) . . . . ?
B57 B58 B65 C54 2.4(2) . . . . ?
B57 B58 B65 B62 101.32(16) . . . . ?
B57 B58 B65 B63 64.5(2) . . . . ?
B57 B58 B65 B55 -37.07(16) . . . . ?
B57 B58 B55 C54 99.36(19) . . . . ?
B57 B58 B55 B65 138.52(19) . . . . ?
B57 B58 B55 B56 37.36(18) . . . . ?
B57 B56 B55 C54 -133.67(17) . . . . ?
B57 B56 B55 B58 -37.46(17) . . . . ?
B57 B56 B55 B65 -101.33(19) . . . . ?
B20 C23 C19 B29 147.48(16) . . . . ?
B20 C23 C19 B30 39.65(17) . . . . ?
B20 C23 C19 B27 108.02(19) . . . . ?
B20 C23 B22 B25 -104.07(16) . . . . ?
B20 C23 B22 B21 -40.67(15) . . . . ?
B20 C23 B22 B24 -143.81(16) . . . . ?
B20 C23 B24 B25 -4.0(2) . . . . ?
B20 C23 B24 B22 35.61(16) . . . . ?
B20 C23 B24 B28 -67.2(2) . . . . ?
B20 C23 B24 B29 -107.4(2) . . . . ?
B20 C23 B29 C19 -31.85(16) . . . . ?
B20 C23 B29 B24 106.81(18) . . . . ?
B20 C23 B29 B28 66.5(2) . . . . ?
B20 C23 B29 B27 3.8(2) . . . . ?
B20 C19 B29 C23 31.41(17) . . . . ?
B20 C19 B29 B24 -4.1(2) . . . . ?
B20 C19 B29 B28 -66.3(2) . . . . ?
B20 C19 B29 B27 -106.72(19) . . . . ?
B20 C19 B30 B21 40.62(16) . . . . ?
B20 C19 B30 B26 103.00(17) . . . . ?
B20 C19 B30 B27 142.98(17) . . . . ?
B20 C19 B27 B28 66.5(2) . . . . ?
B20 C19 B27 B26 4.1(2) . . . . ?
B20 C19 B27 B29 106.36(19) . . . . ?
B20 C19 B27 B30 -36.19(18) . . . . ?
B20 B22 B21 B25 -140.28(16) . . . . ?
B20 B22 B21 B26 -101.51(16) . . . . ?
B20 B22 B21 B30 -38.10(16) . . . . ?
B20 B22 B24 C23 -32.36(15) . . . . ?
B20 B22 B24 B25 102.64(16) . . . . ?
B20 B22 B24 B28 63.50(18) . . . . ?
B20 B22 B24 B29 0.4(2) . . . . ?
B20 B21 B26 B25 -102.52(16) . . . . ?
B20 B21 B26 B28 -63.68(19) . . . . ?
B20 B21 B26 B30 37.02(16) . . . . ?
B20 B21 B26 B27 -0.2(2) . . . . ?
B20 B21 B30 C19 -40.43(16) . . . . ?
B20 B21 B30 B26 -138.71(17) . . . . ?
B20 B21 B30 B27 -101.42(19) . . . . ?
B20 B30 B27 C19 33.16(16) . . . . ?
B20 B30 B27 B28 -63.2(2) . . . . ?
B20 B30 B27 B26 -100.81(17) . . . . ?
B20 B30 B27 B29 -0.3(2) . . . . ?
B53 C52 B42 B43 41.00(17) . . . . ?
B53 C52 B42 B48 103.19(19) . . . . ?
B53 C52 B45 B44 -41.72(16) . . . . ?
B53 C52 B45 B46 -103.54(18) . . . . ?
B53 C52 B45 C51 -138.4(2) . . . . ?
B53 C52 C51 B46 6.5(4) . . . . ?
B53 C52 C51 B50 -60.7(4) . . . . ?
B53 C52 C51 B45 41.5(2) . . . . ?
B53 C52 C51A B50 54.8(7) . . . . ?
B53 B44 B43 B47 -139.11(17) . . . . ?
B53 B44 B43 B48 -103.08(17) . . . . ?
B53 B44 B43 B42 -38.64(17) . . . . ?
B53 B44 B46 B47 100.67(17) . . . . ?
B53 B44 B46 B50 61.8(2) . . . . ?
B53 B44 B46 B45 -36.57(17) . . . . ?
B53 B44 B46 C51 6.6(2) . . . . ?
B53 B44 B45 C52 41.38(17) . . . . ?
B53 B44 B45 B46 139.43(19) . . . . ?
B53 B44 B45 C51 94.7(2) . . . . ?
B53 B43 B48 B47 -99.92(16) . . . . ?
B53 B43 B48 B50 -60.4(2) . . . . ?
B53 B43 B48 B42 35.77(17) . . . . ?
B53 B43 B42 C52 -41.12(17) . . . . ?
B53 B43 B42 B48 -140.66(19) . . . . ?
B53 B45 C51 C52 -35.56(17) . . . . ?
B53 B45 C51 B46 105.30(18) . . . . ?
B53 B45 C51 B50 73.6(3) . . . . ?
B46 B47 B59 B64 -150.34(18) . . . . ?
B46 B47 B59 B62 -80.1(2) . . . . ?
B46 B47 B59 B60 139.13(19) . . . . ?
B46 B47 B59 B58 -7.0(3) . . . . ?
B46 B47 B59 B57 67.3(3) . . . . ?
B46 B47 B44 B43 -138.29(17) . . . . ?
B46 B47 B44 B53 -101.82(19) . . . . ?
B46 B47 B44 B45 -38.44(17) . . . . ?
B46 B47 B43 B44 36.58(16) . . . . ?
B46 B47 B43 B53 0.1(2) . . . . ?
B46 B47 B43 B48 -102.91(18) . . . . ?
B46 B47 B43 B42 -63.1(2) . . . . ?
B46 B47 B50 B48 139.28(18) . . . . ?
B46 B47 B50 C51 45.4(2) . . . . ?
B46 B47 B50 C51A 90.4(4) . . . . ?
B46 B47 B48 B43 98.32(16) . . . . ?
B46 B47 B48 B50 -36.84(16) . . . . ?
B46 B47 B48 B42 59.4(2) . . . . ?
B46 B44 B43 B47 -37.13(14) . . . . ?
B46 B44 B43 B53 101.98(18) . . . . ?
B46 B44 B43 B48 -1.1(2) . . . . ?
B46 B44 B43 B42 63.3(2) . . . . ?
B46 B44 B53 C52 -3.4(2) . . . . ?
B46 B44 B53 B43 -100.23(18) . . . . ?
B46 B44 B53 B42 -61.2(2) . . . . ?
B46 B44 B53 B45 36.90(17) . . . . ?
B46 B44 B45 C52 -98.1(2) . . . . ?
B46 B44 B45 B53 -139.43(19) . . . . ?
B46 B44 B45 C51 -44.8(2) . . . . ?
B46 B50 B48 B47 36.56(16) . . . . ?
B46 B50 B48 B43 -3.9(2) . . . . ?
B46 B50 B48 B42 -65.4(2) . . . . ?
B46 B50 C51 C52 97.9(3) . . . . ?
B46 B50 C51 B45 30.8(2) . . . . ?
B46 B50 C51A C52 9.3(7) . . . . ?
B46 B45 C51 C52 -140.9(2) . . . . ?
B46 B45 C51 B50 -31.7(2) . . . . ?
B50 B47 B59 B64 135.6(2) . . . . ?
B50 B47 B59 B62 -154.08(19) . . . . ?
B50 B47 B59 B60 65.1(2) . . . . ?
B50 B47 B59 B58 -81.0(3) . . . . ?
B50 B47 B59 B57 -6.8(3) . . . . ?
B50 B47 B44 B43 -99.55(17) . . . . ?
B50 B47 B44 B53 -63.1(2) . . . . ?
B50 B47 B44 B46 38.74(18) . . . . ?
B50 B47 B44 B45 0.3(2) . . . . ?
B50 B47 B43 B44 99.62(17) . . . . ?
B50 B47 B43 B53 63.1(2) . . . . ?
B50 B47 B43 B48 -39.88(16) . . . . ?
B50 B47 B43 B42 -0.1(2) . . . . ?
B50 B47 B46 B44 -136.21(18) . . . . ?
B50 B47 B46 B45 -98.2(2) . . . . ?
B50 B47 B46 C51 -37.66(18) . . . . ?
B50 B47 B48 B43 135.16(16) . . . . ?
B50 B47 B48 B42 96.3(2) . . . . ?
B50 B46 B45 C52 -3.3(2) . . . . ?
B50 B46 B45 B44 -101.58(18) . . . . ?
B50 B46 B45 B53 -65.1(2) . . . . ?
B50 B46 B45 C51 27.3(2) . . . . ?
B50 B46 C51 C52 -111.3(3) . . . . ?
B50 B46 C51 B45 -146.7(2) . . . . ?
B50 B48 B42 C52 3.2(2) . . . . ?
B50 B48 B42 B43 102.01(18) . . . . ?
B50 B48 B42 B53 66.5(2) . . . . ?
B30 C19 B29 C23 101.32(19) . . . . ?
B30 C19 B29 B24 65.8(2) . . . . ?
B30 C19 B29 B28 3.6(2) . . . . ?
B30 C19 B29 B27 -36.80(17) . . . . ?
B30 C19 B20 C23 -137.85(17) . . . . ?
B30 C19 B20 B22 -102.19(17) . . . . ?
B30 C19 B20 B21 -40.58(15) . . . . ?
B30 C19 B27 B28 102.67(17) . . . . ?
B30 C19 B27 B26 40.25(16) . . . . ?
B30 C19 B27 B29 142.55(16) . . . . ?
B30 B21 B26 B25 -139.54(16) . . . . ?
B30 B21 B26 B28 -100.70(17) . . . . ?
B30 B21 B26 B27 -37.18(16) . . . . ?
B30 B21 B20 C23 97.76(18) . . . . ?
B30 B21 B20 C19 39.47(16) . . . . ?
B30 B21 B20 B22 137.28(17) . . . . ?
B30 B26 B27 C19 -39.34(16) . . . . ?
B30 B26 B27 B28 -138.12(17) . . . . ?
B30 B26 B27 B29 -101.3(2) . . . . ?
B48 B47 B59 B64 61.8(2) . . . . ?
B48 B47 B59 B62 132.11(19) . . . . ?
B48 B47 B59 B60 -8.7(3) . . . . ?
B48 B47 B59 B58 -154.85(18) . . . . ?
B48 B47 B59 B57 -80.6(2) . . . . ?
B48 B47 B44 B43 -35.77(15) . . . . ?
B48 B47 B44 B53 0.7(2) . . . . ?
B48 B47 B44 B46 102.52(18) . . . . ?
B48 B47 B44 B45 64.1(2) . . . . ?
B48 B47 B43 B44 139.49(17) . . . . ?
B48 B47 B43 B53 103.02(18) . . . . ?
B48 B47 B43 B42 39.78(16) . . . . ?
B48 B47 B46 B44 -99.11(17) . . . . ?
B48 B47 B46 B50 37.09(17) . . . . ?
B48 B47 B46 B45 -61.1(2) . . . . ?
B48 B47 B46 C51 -0.6(2) . . . . ?
B48 B47 B50 B46 -139.28(18) . . . . ?
B48 B47 B50 C51 -93.9(3) . . . . ?
B48 B47 B50 C51A -48.9(3) . . . . ?
B48 B43 B53 C52 1.9(2) . . . . ?
B48 B43 B53 B44 99.98(17) . . . . ?
B48 B43 B53 B42 -36.27(18) . . . . ?
B48 B43 B53 B45 61.6(2) . . . . ?
B48 B43 B42 C52 99.5(2) . . . . ?
B48 B43 B42 B53 140.66(19) . . . . ?
B48 B50 C51 C52 -6.9(4) . . . . ?
B48 B50 C51 B46 -104.74(19) . . . . ?
B48 B50 C51 B45 -73.9(3) . . . . ?
B48 B50 C51A C52 -97.0(6) . . . . ?
B56 C61 C54 B63 -147.43(17) . . . . ?
B56 C61 C54 B65 -107.9(2) . . . . ?
B56 C61 C54 B55 -39.26(18) . . . . ?
B56 C61 B64 B59 3.1(2) . . . . ?
B56 C61 B64 B62 66.9(2) . . . . ?
B56 C61 B64 B60 -36.55(17) . . . . ?
B56 C61 B64 B63 107.2(2) . . . . ?
B56 C61 B60 B59 103.17(18) . . . . ?
B56 C61 B60 B64 142.70(17) . . . . ?
B56 C61 B60 B57 40.02(16) . . . . ?
B56 C61 B63 C54 31.74(17) . . . . ?
B56 C61 B63 B64 -106.26(18) . . . . ?
B56 C61 B63 B62 -66.1(2) . . . . ?
B56 C61 B63 B65 -3.7(2) . . . . ?
B56 C54 B63 C61 -31.59(19) . . . . ?
B56 C54 B63 B64 4.3(3) . . . . ?
B56 C54 B63 B62 66.0(2) . . . . ?
B56 C54 B63 B65 106.6(2) . . . . ?
B56 C54 B65 B62 -66.3(2) . . . . ?
B56 C54 B65 B63 -106.7(2) . . . . ?
B56 C54 B65 B58 -4.3(2) . . . . ?
B56 C54 B65 B55 35.86(18) . . . . ?
B56 C54 B55 B58 -102.84(18) . . . . ?
B56 C54 B55 B65 -143.18(16) . . . . ?
B56 C54 B55 B57 -40.42(16) . . . . ?
B56 B60 B57 B59 139.37(17) . . . . ?
B56 B60 B57 B58 100.77(18) . . . . ?
B56 B60 B57 B55 37.68(16) . . . . ?
B56 B57 B55 C54 40.13(17) . . . . ?
B56 B57 B55 B58 138.23(19) . . . . ?
B56 B57 B55 B65 100.8(2) . . . . ?
B27 C19 B29 C23 138.13(16) . . . . ?
B27 C19 B29 B24 102.63(17) . . . . ?
B27 C19 B29 B28 40.42(15) . . . . ?
B27 C19 B20 C23 -101.4(2) . . . . ?
B27 C19 B20 B22 -65.7(2) . . . . ?
B27 C19 B20 B21 -4.1(2) . . . . ?
B27 C19 B20 B30 36.44(18) . . . . ?
B27 C19 B30 B21 -102.36(18) . . . . ?
B27 C19 B30 B26 -39.98(15) . . . . ?
B27 C19 B30 B20 -142.98(17) . . . . ?
B27 B28 B26 B25 139.28(17) . . . . ?
B27 B28 B26 B21 100.50(18) . . . . ?
B27 B28 B26 B30 37.35(16) . . . . ?
B27 B28 B29 C23 -97.87(18) . . . . ?
B27 B28 B29 C19 -39.15(16) . . . . ?
B27 B28 B29 B24 -137.42(17) . . . . ?
B27 B26 B30 C19 39.22(16) . . . . ?
B27 B26 B30 B21 138.26(17) . . . . ?
B27 B26 B30 B20 101.32(19) . . . . ?
B42 C52 B53 B44 -103.01(18) . . . . ?
B42 C52 B53 B43 -40.38(16) . . . . ?
B42 C52 B53 B45 -144.55(18) . . . . ?
B42 C52 B45 B44 -5.9(3) . . . . ?
B42 C52 B45 B53 35.8(2) . . . . ?
B42 C52 B45 B46 -67.8(3) . . . . ?
B42 C52 B45 C51 -102.6(3) . . . . ?
B42 C52 C51 B46 76.9(3) . . . . ?
B42 C52 C51 B50 9.6(4) . . . . ?
B42 C52 C51 B45 111.8(2) . . . . ?
B42 C52 C51A B50 101.7(6) . . . . ?
B42 B43 B53 C52 38.19(18) . . . . ?
B42 B43 B53 B44 136.25(19) . . . . ?
B42 B43 B53 B45 97.8(2) . . . . ?
B42 B43 B48 B47 -135.69(18) . . . . ?
B42 B43 B48 B50 -96.13(19) . . . . ?
B42 B53 B45 C52 -29.88(16) . . . . ?
B42 B53 B45 B44 101.88(17) . . . . ?
B42 B53 B45 B46 65.5(2) . . . . ?
B42 B53 B45 C51 2.1(2) . . . . ?
B45 C52 B53 B44 41.53(15) . . . . ?
B45 C52 B53 B43 104.17(17) . . . . ?
B45 C52 B53 B42 144.55(18) . . . . ?
B45 C52 B42 B43 5.6(3) . . . . ?
B45 C52 B42 B53 -35.4(2) . . . . ?
B45 C52 B42 B48 67.8(3) . . . . ?
B45 C52 C51 B46 -34.9(2) . . . . ?
B45 C52 C51 B50 -102.2(3) . . . . ?
B45 C52 C51A B50 -12.0(7) . . . . ?
B45 B44 B43 B47 -101.13(17) . . . . ?
B45 B44 B43 B53 37.98(16) . . . . ?
B45 B44 B43 B48 -65.09(19) . . . . ?
B45 B44 B43 B42 -0.7(2) . . . . ?
B45 B44 B53 C52 -40.27(17) . . . . ?
B45 B44 B53 B43 -137.13(19) . . . . ?
B45 B44 B53 B42 -98.1(2) . . . . ?
B45 B44 B46 B47 137.23(19) . . . . ?
B45 B44 B46 B50 98.3(2) . . . . ?
B45 B44 B46 C51 43.12(19) . . . . ?
B45 B53 B42 C52 30.59(17) . . . . ?
B45 B53 B42 B43 -102.45(17) . . . . ?
B45 B53 B42 B48 -67.1(2) . . . . ?
B45 B46 B50 B47 102.01(17) . . . . ?
B45 B46 B50 B48 65.6(2) . . . . ?
B45 B46 B50 C51 -29.4(2) . . . . ?
B45 B46 B50 C51A -2.3(3) . . . . ?
B45 B46 C51 C52 35.3(2) . . . . ?
B45 B46 C51 B50 146.7(2) . . . . ?
B55 C54 B63 C61 -101.3(2) . . . . ?
B55 C54 B63 B64 -65.4(2) . . . . ?
B55 C54 B63 B62 -3.7(2) . . . . ?
B55 C54 B63 B65 36.94(18) . . . . ?
B55 C54 B65 B62 -102.16(18) . . . . ?
B55 C54 B65 B63 -142.58(17) . . . . ?
B55 C54 B65 B58 -40.13(15) . . . . ?
B55 C54 B56 C61 138.10(17) . . . . ?
B55 C54 B56 B60 102.60(19) . . . . ?
B55 C54 B56 B57 40.62(16) . . . . ?
B55 B58 B65 C54 39.51(17) . . . . ?
B55 B58 B65 B62 138.39(18) . . . . ?
B55 B58 B65 B63 101.56(19) . . . . ?
B55 B58 B57 B59 -139.44(18) . . . . ?
B55 B58 B57 B60 -100.80(19) . . . . ?
B55 B58 B57 B56 -37.03(17) . . . . ?
B55 B57 B56 C61 -98.14(18) . . . . ?
B55 B57 B56 C54 -39.57(17) . . . . ?
B55 B57 B56 B60 -137.49(18) . . . . ?
C51 C52 B53 B44 -2.1(3) . . . . ?
C51 C52 B53 B43 60.5(3) . . . . ?
C51 C52 B53 B42 100.9(3) . . . . ?
C51 C52 B53 B45 -43.7(3) . . . . ?
C51 C52 B42 B43 -69.6(3) . . . . ?
C51 C52 B42 B53 -110.6(2) . . . . ?
C51 C52 B42 B48 -7.4(3) . . . . ?
C51 C52 B45 B44 96.7(2) . . . . ?
C51 C52 B45 B53 138.4(2) . . . . ?
C51 C52 B45 B46 34.8(2) . . . . ?
C51 B46 B50 B47 131.4(2) . . . . ?
C51 B46 B50 B48 95.0(2) . . . . ?
C51 B46 B45 C52 -30.6(2) . . . . ?
C51 B46 B45 B44 -128.9(2) . . . . ?
C51 B46 B45 B53 -92.5(2) . . . . ?
C51 B50 B48 B47 103.7(2) . . . . ?
C51 B50 B48 B43 63.2(2) . . . . ?
C51 B50 B48 B42 1.7(3) . . . . ?
C51A C52 B53 B44 -52.9(4) . . . . ?
C51A C52 B53 B43 9.7(4) . . . . ?
C51A C52 B53 B42 50.1(4) . . . . ?
C51A C52 B53 B45 -94.5(4) . . . . ?
C51A C52 B42 B43 -91.8(3) . . . . ?
C51A C52 B42 B53 -132.8(3) . . . . ?
C51A C52 B42 B48 -29.6(3) . . . . ?
C51A C52 B45 B44 69.6(3) . . . . ?
C51A C52 B45 B53 111.3(3) . . . . ?
C51A C52 B45 B46 7.8(4) . . . . ?
C51A B50 B48 B47 128.1(3) . . . . ?
C51A B50 B48 B43 87.6(3) . . . . ?
C51A B50 B48 B42 26.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.466
_oxdiff_exptl_absorpt_empirical_full_min 0.364
####################################################################### 
# 
# 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_202305122_auto
_database_code_depnum_ccdc_archive 'CCDC 2271213'
loop_
_audit_author_name
_audit_author_address
mayanna
;Zhengzhou University
China
;
_audit_update_record             
;
2023-06-21 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_audit_creation_date             2023-06-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C8 H20 N), C4 H22 B18'
_chemical_formula_sum            'C20 H62 B18 N2'
_chemical_formula_weight         525.29
_chemical_melting_point          ?
_chemical_oxdiff_formula         C20H20N2O1B7
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2612(5)
_cell_length_b                   17.2885(10)
_cell_length_c                   18.0579(11)
_cell_angle_alpha                85.761(5)
_cell_angle_beta                 87.210(4)
_cell_angle_gamma                82.019(4)
_cell_volume                     3469.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5722
_cell_measurement_temperature    297
_cell_measurement_theta_max      69.4130
_cell_measurement_theta_min      3.9430
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.338
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.006
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25502
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.414
_diffrn_reflns_theta_min         3.444
_diffrn_ambient_temperature      297
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -102.00 -15.60   0.80    4.00    --  -33.50 -57.00 150.00  108
  2  ω    -90.00  -4.40   0.80    4.00    --  -33.50 130.00 -21.00  107
  3  ω   -108.00 -36.00   0.80    4.00    --  -33.50 178.00-120.00   90
  4  ω   -102.00 -15.60   0.80    4.00    --  -33.50 -57.00 -90.00  108
  5  ω   -108.00 -36.00   0.80    4.00    --  -33.50 178.00   0.00   90
  6  ω   -102.00 -15.60   0.80    4.00    --  -33.50 -57.00-120.00  108
  7  ω    -34.00  34.00   0.80    4.00    --  -33.50  57.00 -60.00   85
  8  ω    -57.00  35.00   0.80    4.00    --  -33.50  19.00  60.00  115
  9  ω     33.00  92.20   0.80    4.00    --   36.47-130.00 -93.00   74
 10  ω     90.00 169.20   0.80   17.50    --  108.00  45.00 -60.00   99
 11  ω     79.00 103.80   0.80   17.50    --  108.00 -94.00 -60.00   31
 12  ω     52.00 107.20   0.80   17.50    --  108.00-111.00  60.00   69
 13  ω     42.00 104.40   0.80   17.50    --  108.00 -94.00 120.00   78
 14  ω     53.00 126.60   0.80   17.50    --  108.00 -30.00 -90.00   92
 15  ω     74.00 108.40   0.80   17.50    --  108.00-111.00-150.00   43
 16  ω    129.00 176.20   0.80   17.50    --  108.00  45.00 -30.00   59
 17  ω     39.00 121.40   0.80   17.50    --  108.00 -30.00   0.00  103
 18  ω     47.00  82.20   0.80   17.50    --  108.00 -61.00  30.00   44
 19  ω     77.00 105.80   0.80   17.50    --  108.00-111.00 -90.00   36
 20  ω     44.00  70.40   0.80   17.50    --  108.00-111.00 -90.00   33
 21  ω     42.00 118.00   0.80   17.50    --  108.00 -61.00-120.00   95
 22  ω     63.00 127.00   0.80   17.50    --  108.00 -61.00 150.00   80
 23  ω     93.00 120.20   0.80   17.50    --  108.00  45.00 -30.00   34
 24  ω     46.00 119.60   0.80   17.50    --  108.00 -45.00  90.00   92
 25  ω     68.00 164.00   0.80   17.50    --  108.00  15.00 -90.00  120
 26  ω    105.00 133.00   0.80   17.50    --  108.00 -77.00 -90.00   35
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0247939000
_diffrn_orient_matrix_UB_12      -0.0666170000
_diffrn_orient_matrix_UB_13      -0.0467579000
_diffrn_orient_matrix_UB_21      -0.0184499000
_diffrn_orient_matrix_UB_22      -0.0517500000
_diffrn_orient_matrix_UB_23      0.0716804000
_diffrn_orient_matrix_UB_31      -0.1347465000
_diffrn_orient_matrix_UB_32      0.0319075000
_diffrn_orient_matrix_UB_33      0.0022056000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8074
_reflns_number_total             12998
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.374
_refine_diff_density_min         -0.536
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     903
_refine_ls_number_reflns         12998
_refine_ls_number_restraints     69
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.0877
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1784P)²+0.2996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2596
_refine_ls_wR_factor_ref         0.3026
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All H(H) groups, All B(H) groups, All B(H,H) groups, All C(H) groups, All
  C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Restrained distances
 C3F-C4F
 1.54 with sigma of 0.02
 C1F'-C7F'
 2.2 with sigma of 0.02
 N1F-C7F'
 1.54 with sigma of 0.02
 H4A'-C4A' = C4A-H4AA
 0.96 with sigma of 0.02
 H4BB-C4B = C4B'-H4B'
 0.96 with sigma of 0.02
 C2B-H2BA = C1B'-H1BA
 0.96 with sigma of 0.02
 B3A-H3AA
 1.1 with sigma of 0.02
 H2A-C2A = H1A-C1A
 0.96 with sigma of 0.02
 B2B-H1B' = H1B'-B3B
 1.1 with sigma of 0.02
 B11B-H11A = H11A-B12B
 1.1 with sigma of 0.02
 B2A-H2AB = H2AB-B3A
 1.1 with sigma of 0.02
 B11A-H11D = H11D-B12A
 1.1 with sigma of 0.02
 B14A-H13D = H13D-B13A
 1.1 with sigma of 0.02
 B13B-H13A = H13A-B14B
 1.1 with sigma of 0.02
 B5B-H4BA = H4BA-B4B
 1.1 with sigma of 0.02
3. Rigid bond restraints
 C1B, B4B, B5B, B9B, B8B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 B11A, B12A, B16A, B17A, C3A, C4A'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C4F \\sim C3F' \\sim C3F: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
5. Others
 Sof(H2DD)=Sof(H2DE)=Sof(H2DF)=Sof(H4DD)=Sof(H4DE)=Sof(H4DF)=Sof(H6DD)=
 Sof(H6DE)=Sof(H6DF)=Sof(H8DD)=Sof(H8DE)=Sof(H8DF)=Sof(C1D')=Sof(H1DA)=
 Sof(H1DB)=Sof(C3D')=Sof(H3DA)=Sof(H3DB)=Sof(C5D')=Sof(H5DA)=Sof(H5DB)=
 Sof(C7D')=Sof(H7DA)=Sof(H7DB)=1-FVAR(1)
 Sof(H2DA)=Sof(H2DB)=Sof(H2DC)=Sof(H4DA)=Sof(H4DB)=Sof(H4DC)=Sof(H6DA)=
 Sof(H6DB)=Sof(H6DC)=Sof(H8DA)=Sof(H8DB)=Sof(H8DC)=Sof(C1D)=Sof(H1DC)=Sof(H1DD)=
 Sof(C3D)=Sof(H3DC)=Sof(H3DD)=Sof(C5D)=Sof(H5DC)=Sof(H5DD)=Sof(C7D)=Sof(H7DC)=
 Sof(H7DD)=FVAR(1)
 Sof(H2FD)=Sof(H2FE)=Sof(H2FF)=Sof(H4FD)=Sof(H4FE)=Sof(H4FF)=Sof(H6FD)=
 Sof(H6FE)=Sof(H6FF)=Sof(H8FD)=Sof(H8FE)=Sof(H8FF)=Sof(C7F')=Sof(H7FA)=
 Sof(H7FB)=Sof(C5F')=Sof(H5FA)=Sof(H5FB)=Sof(C3F')=Sof(H3FA)=Sof(H3FB)=
 Sof(C1F')=Sof(H1FA)=Sof(H1FB)=1-FVAR(2)
 Sof(H2FA)=Sof(H2FB)=Sof(H2FC)=Sof(H4FA)=Sof(H4FB)=Sof(H4FC)=Sof(H6FA)=
 Sof(H6FB)=Sof(H6FC)=Sof(H8FA)=Sof(H8FB)=Sof(H8FC)=Sof(C1F)=Sof(H1FC)=Sof(H1FD)=
 Sof(C3F)=Sof(H3FC)=Sof(H3FD)=Sof(C5F)=Sof(H5FC)=Sof(H5FD)=Sof(C7F)=Sof(H7FC)=
 Sof(H7FD)=FVAR(2)
 Sof(C4A')=Sof(H10D)=Sof(H13D)=Sof(H4A')=1-FVAR(3)
 Sof(H10C)=Sof(H11D)=Sof(H4AA)=Sof(C4A)=FVAR(3)
 Sof(C4B')=Sof(H4B')=Sof(H10A)=Sof(H13A)=1-FVAR(4)
 Sof(H10B)=Sof(H11A)=Sof(C4B)=Sof(H4BB)=FVAR(4)
 Sof(C1B')=Sof(H1BA)=Sof(H1BC)=Sof(H4BA)=1-FVAR(5)
 Sof(H1BB)=Sof(H1B')=Sof(C2B)=Sof(H2BA)=FVAR(5)
6.a Riding coordinates:
 C2D(H2DA,H2DB,H2DC), C2D(H2DD,H2DE,H2DF), C6D(H6DA,H6DB,H6DC), C6D(H6DD,H6DE,
 H6DF), C2F(H2FA,H2FB,H2FC), C2F(H2FD,H2FE,H2FF), C4F(H4FA,H4FB,H4FC), C4F(H4FD,
 H4FE,H4FF), C3B(H3B), C4B'(H4B')
6.b Secondary CH2 refined with riding coordinates:
 C1C(H1CA,H1CB), C3C(H3CA,H3CB), C5C(H5CA,H5CB), C7C(H7CA,H7CB), C1D'(H1DA,
 H1DB), C3D'(H3DA,H3DB), C5D'(H5DA,H5DB), C7D'(H7DA,H7DB), C1E(H1EA,H1EB),
 C3E(H3EA,H3EB), C5E(H5EA,H5EB), C7E(H7EA,H7EB), C7F'(H7FA,H7FB), C5F'(H5FA,
 H5FB), C3F'(H3FA,H3FB), C1F'(H1FA,H1FB), C1D(H1DC,H1DD), C1F(H1FC,H1FD),
 C3D(H3DC,H3DD), C3F(H3FC,H3FD), C5D(H5DC,H5DD), C5F(H5FC,H5FD), C7D(H7DC,H7DD),
  C7F(H7FC,H7FD)
6.c Idealised Me refined as rotating group:
 C2C(H2CA,H2CB,H2CC), C4C(H4CA,H4CB,H4CC), C6C(H6CA,H6CB,H6CC), C8C(H8CA,H8CB,
 H8CC), C4D(H4DA,H4DB,H4DC), C4D(H4DD,H4DE,H4DF), C8D(H8DA,H8DB,H8DC), C8D(H8DD,
 H8DE,H8DF), C2E(H2EA,H2EB,H2EC), C4E(H4EA,H4EB,H4EC), C6E(H6EA,H6EB,H6EC),
 C8E(H8EA,H8EB,H8EC), C6F(H6FA,H6FB,H6FC), C6F(H6FD,H6FE,H6FF), C8F(H8FA,H8FB,
 H8FC), C8F(H8FD,H8FE,H8FF)
6.d Boron cage BH refined with riding coordinates:
 B4A(H4A), B5A(H5A), B7A(H7A), B8A(H8A), B9A(H9A), B10A(H10C), B10A(H10D),
 B11A(H11C), B12A(H12A), B13A(H13C), B14A(H14A), B16A(H16A), B17A(H17A),
 B18A(H18A), B1B(H1BB), B1B(H1BC), B2B(H2B), B3B(H3BA), B4B(H4B), B5B(H5B),
 B7B(H7B), B8B(H8B), B9B(H9B), B10B(H10B), B10B(H10A), B11B(H11B), B12B(H12B),
 B13B(H13B), B14B(H14B), B16B(H16B), B17B(H17B), B18B(H18B)
;
_atom_sites_solution_hydrogens   mixed
_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
N1C N 0.9165(2) 0.84385(14) 0.27706(14) 0.0698(6) Uani 1 1 d . . . . .
C1C C 0.9012(3) 0.9286(2) 0.2481(2) 0.0959(11) Uani 1 1 d . . . . .
H1CA H 0.912770 0.960376 0.288577 0.115 Uiso 1 1 calc R U . . .
H1CB H 0.964086 0.935631 0.210507 0.115 Uiso 1 1 calc R U . . .
C2C C 0.7820(5) 0.9592(3) 0.2151(4) 0.144(2) Uani 1 1 d . . . . .
H2CA H 0.766885 0.926481 0.176854 0.216 Uiso 1 1 calc R U . . .
H2CB H 0.783680 1.011756 0.194118 0.216 Uiso 1 1 calc R U . . .
H2CC H 0.719608 0.958899 0.253190 0.216 Uiso 1 1 calc R U . . .
C3C C 0.8958(3) 0.7900(2) 0.21818(18) 0.0850(9) Uani 1 1 d . . . . .
H3CA H 0.902123 0.736904 0.240638 0.102 Uiso 1 1 calc R U . . .
H3CB H 0.814443 0.804128 0.201762 0.102 Uiso 1 1 calc R U . . .
C4C C 0.9802(5) 0.7908(3) 0.1512(2) 0.1302(18) Uani 1 1 d . . . . .
H4CA H 0.961846 0.753887 0.117732 0.195 Uiso 1 1 calc R U . . .
H4CB H 1.061288 0.776809 0.166504 0.195 Uiso 1 1 calc R U . . .
H4CC H 0.971507 0.842305 0.126537 0.195 Uiso 1 1 calc R U . . .
C5C C 0.8276(3) 0.8292(2) 0.34016(19) 0.0863(9) Uani 1 1 d . . . . .
H5CA H 0.844413 0.774744 0.358382 0.104 Uiso 1 1 calc R U . . .
H5CB H 0.747919 0.836813 0.320404 0.104 Uiso 1 1 calc R U . . .
C6C C 0.8256(6) 0.8794(3) 0.4055(3) 0.1398(19) Uani 1 1 d . . . . .
H6CA H 0.797444 0.932868 0.390077 0.210 Uiso 1 1 calc R U . . .
H6CB H 0.905197 0.875882 0.423446 0.210 Uiso 1 1 calc R U . . .
H6CC H 0.773016 0.861344 0.444454 0.210 Uiso 1 1 calc R U . . .
C7C C 1.0434(3) 0.8275(2) 0.3028(3) 0.0996(11) Uani 1 1 d . . . . .
H7CA H 1.051574 0.861474 0.342181 0.120 Uiso 1 1 calc R U . . .
H7CB H 1.097344 0.840973 0.261821 0.120 Uiso 1 1 calc R U . . .
C8C C 1.0827(5) 0.7430(3) 0.3312(4) 0.144(2) Uani 1 1 d . . . . .
H8CA H 1.082977 0.709252 0.291315 0.216 Uiso 1 1 calc R U . . .
H8CB H 1.027903 0.728159 0.370403 0.216 Uiso 1 1 calc R U . . .
H8CC H 1.161953 0.738396 0.349869 0.216 Uiso 1 1 calc R U . . .
N1D N 0.40828(19) 0.81009(12) 0.04038(12) 0.0606(5) Uani 1 1 d . . . . .
C2D C 0.5639(6) 0.8909(4) 0.0801(3) 0.168(3) Uani 1 1 d . . . . .
H2DA H 0.648068 0.894887 0.080451 0.252 Uiso 0.669(4) 1 d R U P A 1
H2DB H 0.530998 0.889767 0.130161 0.252 Uiso 0.669(4) 1 d R U P A 1
H2DC H 0.523898 0.935337 0.051821 0.252 Uiso 0.669(4) 1 d R U P A 1
H2DD H 0.576958 0.942427 0.091411 0.252 Uiso 0.331(4) 1 d R U P A 2
H2DE H 0.610668 0.876227 0.036261 0.252 Uiso 0.331(4) 1 d R U P A 2
H2DF H 0.587588 0.854267 0.121011 0.252 Uiso 0.331(4) 1 d R U P A 2
C4D C 0.3977(4) 0.8756(4) -0.0909(2) 0.1296(19) Uani 1 1 d . . . . .
H4DA H 0.359413 0.837181 -0.113019 0.194 Uiso 0.669(4) 1 calc R U P A 1
H4DB H 0.483155 0.860936 -0.093825 0.194 Uiso 0.669(4) 1 calc R U P A 1
H4DC H 0.377344 0.925726 -0.116954 0.194 Uiso 0.669(4) 1 calc R U P A 1
H4DD H 0.415147 0.866176 -0.142272 0.194 Uiso 0.331(4) 1 calc R U P A 2
H4DE H 0.427658 0.922614 -0.079875 0.194 Uiso 0.331(4) 1 calc R U P A 2
H4DF H 0.312514 0.881195 -0.081116 0.194 Uiso 0.331(4) 1 calc R U P A 2
C6D C 0.2610(4) 0.7234(3) 0.0014(3) 0.1229(16) Uani 1 1 d . . . . .
H6DA H 0.257074 0.675757 -0.021810 0.184 Uiso 0.669(4) 1 d R U P A 1
H6DB H 0.221904 0.766877 -0.028530 0.184 Uiso 0.669(4) 1 d R U P A 1
H6DC H 0.221484 0.721137 0.049720 0.184 Uiso 0.669(4) 1 d R U P A 1
H6DD H 0.263294 0.730867 -0.051780 0.184 Uiso 0.331(4) 1 d R U P A 2
H6DE H 0.186934 0.705177 0.018350 0.184 Uiso 0.331(4) 1 d R U P A 2
H6DF H 0.327174 0.685467 0.016890 0.184 Uiso 0.331(4) 1 d R U P A 2
C8D C 0.4083(4) 0.7503(2) 0.1744(2) 0.1014(12) Uani 1 1 d . . . . .
H8DA H 0.384939 0.701450 0.162530 0.152 Uiso 0.669(4) 1 calc R U P A 1
H8DB H 0.379983 0.761437 0.223970 0.152 Uiso 0.669(4) 1 calc R U P A 1
H8DC H 0.494236 0.746796 0.171071 0.152 Uiso 0.669(4) 1 calc R U P A 1
H8DD H 0.322342 0.756245 0.173866 0.152 Uiso 0.331(4) 1 calc R U P A 2
H8DE H 0.432866 0.794094 0.196394 0.152 Uiso 0.331(4) 1 calc R U P A 2
H8DF H 0.437008 0.702841 0.202877 0.152 Uiso 0.331(4) 1 calc R U P A 2
C1D' C 0.4053(10) 0.8905(5) 0.0643(6) 0.079(3) Uani 0.331(4) 1 d . . P A 2
H1DA H 0.356191 0.898535 0.109376 0.095 Uiso 0.331(4) 1 calc R U P A 2
H1DB H 0.376680 0.929684 0.025662 0.095 Uiso 0.331(4) 1 calc R U P A 2
C3D' C 0.4621(7) 0.8019(6) -0.0388(5) 0.073(2) Uani 0.331(4) 1 d . . P A 2
H3DA H 0.447352 0.752814 -0.056997 0.087 Uiso 0.331(4) 1 calc R U P A 2
H3DB H 0.548115 0.802745 -0.039504 0.087 Uiso 0.331(4) 1 calc R U P A 2
C5D' C 0.2697(8) 0.8015(6) 0.0352(6) 0.077(3) Uani 0.331(4) 1 d . . P A 2
H5DA H 0.230794 0.802114 0.084350 0.092 Uiso 0.331(4) 1 calc R U P A 2
H5DB H 0.230004 0.844703 0.004262 0.092 Uiso 0.331(4) 1 calc R U P A 2
C7D' C 0.4646(9) 0.7462(6) 0.0887(5) 0.080(3) Uani 0.331(4) 1 d . . P A 2
H7DA H 0.550161 0.748449 0.088593 0.096 Uiso 0.331(4) 1 calc R U P A 2
H7DB H 0.452939 0.696791 0.069894 0.096 Uiso 0.331(4) 1 calc R U P A 2
N1E N 0.27487(19) 0.44010(13) 0.24887(14) 0.0656(6) Uani 1 1 d . . . . .
C1E C 0.2052(3) 0.4811(2) 0.18458(19) 0.0786(8) Uani 1 1 d . . . . .
H1EA H 0.121010 0.490047 0.199995 0.094 Uiso 1 1 calc R U . . .
H1EB H 0.212956 0.446518 0.144193 0.094 Uiso 1 1 calc R U . . .
C2E C 0.2438(4) 0.5587(2) 0.1554(2) 0.1029(11) Uani 1 1 d . . . . .
H2EA H 0.190426 0.582810 0.117966 0.154 Uiso 1 1 calc R U . . .
H2EB H 0.324082 0.549890 0.134364 0.154 Uiso 1 1 calc R U . . .
H2EC H 0.241395 0.592451 0.195515 0.154 Uiso 1 1 calc R U . . .
C3E C 0.4073(3) 0.4217(2) 0.2266(2) 0.0849(9) Uani 1 1 d . . . . .
H3EA H 0.439449 0.470686 0.215660 0.102 Uiso 1 1 calc R U . . .
H3EB H 0.448979 0.394630 0.268852 0.102 Uiso 1 1 calc R U . . .
C4E C 0.4347(3) 0.3726(3) 0.1608(3) 0.1213(17) Uani 1 1 d . . . . .
H4EA H 0.399103 0.400448 0.117589 0.182 Uiso 1 1 calc R U . . .
H4EB H 0.402533 0.324167 0.170527 0.182 Uiso 1 1 calc R U . . .
H4EC H 0.520080 0.362085 0.152218 0.182 Uiso 1 1 calc R U . . .
C5E C 0.2200(3) 0.36565(18) 0.2702(2) 0.0832(9) Uani 1 1 d . . . . .
H5EA H 0.134524 0.379690 0.280005 0.100 Uiso 1 1 calc R U . . .
H5EB H 0.229880 0.333248 0.228152 0.100 Uiso 1 1 calc R U . . .
C6E C 0.2726(4) 0.3175(2) 0.3374(3) 0.1155(15) Uani 1 1 d . . . . .
H6EA H 0.358212 0.307267 0.330472 0.173 Uiso 1 1 calc R U . . .
H6EB H 0.240090 0.268823 0.343298 0.173 Uiso 1 1 calc R U . . .
H6EC H 0.252654 0.345927 0.381042 0.173 Uiso 1 1 calc R U . . .
C7E C 0.2661(3) 0.49142(18) 0.31357(19) 0.0762(8) Uani 1 1 d . . . . .
H7EA H 0.303197 0.537743 0.298357 0.091 Uiso 1 1 calc R U . . .
H7EB H 0.311831 0.463298 0.353666 0.091 Uiso 1 1 calc R U . . .
C8E C 0.1397(3) 0.5171(2) 0.3432(2) 0.0946(10) Uani 1 1 d . . . . .
H8EA H 0.094900 0.548236 0.305081 0.142 Uiso 1 1 calc R U . . .
H8EB H 0.142668 0.547534 0.385267 0.142 Uiso 1 1 calc R U . . .
H8EC H 0.101457 0.471814 0.358007 0.142 Uiso 1 1 calc R U . . .
N1F N 0.7943(2) 0.22339(15) 0.38999(15) 0.0772(7) Uani 1 1 d D . . . .
C2F C 0.9218(4) 0.1022(3) 0.4475(3) 0.1223(16) Uani 1 1 d . . . . .
H2FA H 0.963041 0.052318 0.434652 0.183 Uiso 0.822(5) 1 d R U P B 1
H2FB H 0.851771 0.094688 0.478152 0.183 Uiso 0.822(5) 1 d R U P B 1
H2FC H 0.974161 0.128628 0.474142 0.183 Uiso 0.822(5) 1 d R U P B 1
H2FD H 0.972071 0.107318 0.487832 0.183 Uiso 0.178(5) 1 d R U P B 2
H2FE H 0.965261 0.110468 0.401142 0.183 Uiso 0.178(5) 1 d R U P B 2
H2FF H 0.898541 0.050708 0.451102 0.183 Uiso 0.178(5) 1 d R U P B 2
C4F C 0.9628(5) 0.2965(3) 0.4257(4) 0.1402(17) Uani 1 1 d D U . . .
H4FA H 1.019556 0.249848 0.422877 0.210 Uiso 0.822(5) 1 d R U P B 1
H4FB H 0.983317 0.326258 0.464957 0.210 Uiso 0.822(5) 1 d R U P B 1
H4FC H 0.964827 0.327408 0.379367 0.210 Uiso 0.822(5) 1 d R U P B 1
H4FD H 0.922817 0.329738 0.462217 0.210 Uiso 0.178(5) 1 d R U P B 2
H4FE H 1.021027 0.323448 0.397517 0.210 Uiso 0.178(5) 1 d R U P B 2
H4FF H 1.002556 0.249478 0.450187 0.210 Uiso 0.178(5) 1 d R U P B 2
C6F C 0.7154(6) 0.2312(4) 0.2588(3) 0.162(3) Uani 1 1 d . . . . .
H6FA H 0.741448 0.247072 0.209275 0.243 Uiso 0.822(5) 1 calc R U P B 1
H6FB H 0.630858 0.247892 0.265543 0.243 Uiso 0.822(5) 1 calc R U P B 1
H6FC H 0.731162 0.175266 0.266399 0.243 Uiso 0.822(5) 1 calc R U P B 1
H6FD H 0.701798 0.286648 0.264063 0.243 Uiso 0.178(5) 1 calc R U P B 2
H6FE H 0.641859 0.213747 0.246704 0.243 Uiso 0.178(5) 1 calc R U P B 2
H6FF H 0.774911 0.219869 0.219814 0.243 Uiso 0.178(5) 1 calc R U P B 2
C8F C 0.5786(5) 0.2614(4) 0.4315(4) 0.158(3) Uani 1 1 d . . . . .
H8FA H 0.564395 0.293135 0.386060 0.237 Uiso 0.822(5) 1 calc R U P B 1
H8FB H 0.597442 0.293374 0.469370 0.237 Uiso 0.822(5) 1 calc R U P B 1
H8FC H 0.508006 0.238112 0.446820 0.237 Uiso 0.822(5) 1 calc R U P B 1
H8FD H 0.555617 0.252396 0.382676 0.237 Uiso 0.178(5) 1 calc R U P B 2
H8FE H 0.533395 0.308888 0.447460 0.237 Uiso 0.178(5) 1 calc R U P B 2
H8FF H 0.562729 0.218332 0.465483 0.237 Uiso 0.178(5) 1 calc R U P B 2
C7F' C 0.6800(19) 0.2668(11) 0.4301(11) 0.100(7) Uani 0.178(5) 1 d D . P B 2
H7FA H 0.699616 0.261184 0.482085 0.120 Uiso 0.178(5) 1 calc R U P B 2
H7FB H 0.682899 0.321581 0.414877 0.120 Uiso 0.178(5) 1 calc R U P B 2
C5F' C 0.754(3) 0.1940(17) 0.3230(12) 0.117(10) Uani 0.178(5) 1 d . . P B 2
H5FA H 0.819944 0.155381 0.307960 0.140 Uiso 0.178(5) 1 calc R U P B 2
H5FB H 0.689756 0.164575 0.340652 0.140 Uiso 0.178(5) 1 calc R U P B 2
C3F' C 0.876(3) 0.2787(17) 0.381(2) 0.125(4) Uani 0.178(5) 1 d . U P B 2
H3FA H 0.919010 0.267311 0.334452 0.150 Uiso 0.178(5) 1 calc R U P B 2
H3FB H 0.825665 0.328251 0.371241 0.150 Uiso 0.178(5) 1 calc R U P B 2
C1F' C 0.8176(19) 0.1605(10) 0.4506(13) 0.095(6) Uani 0.178(5) 1 d D . P B 2
H1FA H 0.820060 0.186188 0.496333 0.114 Uiso 0.178(5) 1 calc R U P B 2
H1FB H 0.748040 0.132857 0.455301 0.114 Uiso 0.178(5) 1 calc R U P B 2
C1A C 0.8493(3) 0.5229(3) 0.0366(2) 0.0917(11) Uani 1 1 d D . . . .
H1A H 0.875(4) 0.515(3) -0.0140(13) 0.122(14) Uiso 1 1 d D . . . .
C2A C 0.8794(3) 0.5967(3) 0.0738(2) 0.0896(10) Uani 1 1 d D . . . .
H2A H 0.928(3) 0.632(2) 0.040(2) 0.118(14) Uiso 1 1 d D . . . .
C3A C 0.6221(4) 0.5894(2) 0.4650(2) 0.0946(9) Uani 1 1 d . U . . .
H3A H 0.587(4) 0.606(3) 0.512(2) 0.114 Uiso 1 1 d . U . . .
C4A' C 0.5536(8) 0.5512(6) 0.4119(4) 0.0872(17) Uani 0.434(7) 1 d D U P C 2
B1A B 0.8960(3) 0.5772(2) 0.16765(19) 0.0650(7) Uani 1 1 d . . . . .
H1AA H 0.949(3) 0.6107(19) 0.1996(17) 0.078 Uiso 1 1 d . U . . .
B2A B 0.8772(3) 0.47497(19) 0.1825(2) 0.0690(8) Uani 1 1 d D . . . .
H2AA H 0.926(3) 0.431(2) 0.2240(18) 0.083 Uiso 1 1 d . U . . .
H2AB H 0.919(2) 0.476(2) 0.1224(11) 0.111(13) Uiso 1 1 d D . . . .
B3A B 0.8525(3) 0.4506(3) 0.0932(3) 0.0877(12) Uani 1 1 d D . . . .
H3AA H 0.887(3) 0.3954(15) 0.073(2) 0.105 Uiso 1 1 d D U . . .
B4A B 0.7320(3) 0.5955(3) 0.0482(2) 0.0818(10) Uani 1 1 d . . . . .
H4A H 0.686558 0.634529 0.004375 0.098 Uiso 1 1 calc R U . . .
B5A B 0.7597(3) 0.62874(19) 0.13513(17) 0.0638(7) Uani 1 1 d . . . . .
H5A H 0.730890 0.690078 0.147306 0.077 Uiso 1 1 calc R U . . .
B6A B 0.7576(2) 0.54974(17) 0.20609(17) 0.0577(6) Uani 1 1 d . . . . .
B7A B 0.7294(3) 0.4669(2) 0.1575(2) 0.0748(9) Uani 1 1 d . . . . .
H7A H 0.680538 0.420962 0.184461 0.090 Uiso 1 1 calc R U . . .
B8A B 0.7136(3) 0.4962(3) 0.0620(2) 0.0907(12) Uani 1 1 d . . . . .
H8A H 0.655207 0.469476 0.027192 0.109 Uiso 1 1 calc R U . . .
B9A B 0.6552(3) 0.5615(2) 0.1298(2) 0.0721(9) Uani 1 1 d . . . . .
H9A H 0.558183 0.577966 0.139742 0.086 Uiso 1 1 calc R U . . .
B10A B 0.6369(3) 0.4939(2) 0.3518(2) 0.0767(9) Uani 1 1 d . . . . .
H10C H 0.588823 0.444347 0.342855 0.092 Uiso 0.566(7) 1 calc R U P C 1
H10D H 0.623266 0.432126 0.351268 0.092 Uiso 0.434(7) 1 calc R U P C 2
B11A B 0.5566(3) 0.5879(2) 0.3243(2) 0.0720(7) Uani 1 1 d D U . . .
H11C H 0.483873 0.594928 0.284776 0.086 Uiso 1 1 calc R U . C 2
B12A B 0.5491(5) 0.6382(3) 0.3977(3) 0.1013(10) Uani 1 1 d D U . . .
H12A H 0.466219 0.678838 0.406466 0.122 Uiso 1 1 calc R U . C 2
H11D H 0.546(8) 0.5730(16) 0.3860(12) 0.122 Uiso 0.566(7) 1 d D U P C 1
B13A B 0.7717(4) 0.5685(2) 0.4502(2) 0.0858(11) Uani 1 1 d D . . . .
H13C H 0.840564 0.562757 0.492130 0.103 Uiso 1 1 calc R U . C 1
H13D H 0.735(5) 0.517(3) 0.430(2) 0.07(2) Uiso 0.434(7) 1 d D . P C 2
B14A B 0.7841(3) 0.5080(2) 0.3742(2) 0.0701(8) Uani 1 1 d D . . . .
H14A H 0.861933 0.462991 0.366304 0.084 Uiso 1 1 calc R U . C 1
B15A B 0.7100(3) 0.56371(16) 0.29534(17) 0.0565(6) Uani 1 1 d . . . . .
B16A B 0.6568(3) 0.65939(18) 0.32617(19) 0.0670(7) Uani 1 1 d . U . . .
H16A H 0.652833 0.712463 0.288320 0.080 Uiso 1 1 calc R U . . .
B17A B 0.6910(4) 0.6607(2) 0.4223(2) 0.0810(8) Uani 1 1 d . U . . .
H17A H 0.705309 0.714944 0.446685 0.097 Uiso 1 1 calc R U . . .
B18A B 0.7947(3) 0.61036(18) 0.35944(17) 0.0642(7) Uani 1 1 d . . . . .
H18A H 0.879958 0.631665 0.341890 0.077 Uiso 1 1 calc R U . . .
C1B C 0.0527(4) 0.1769(3) 0.0593(2) 0.1133(13) Uani 1 1 d . U . . .
H1B H 0.004(4) 0.202(3) 0.021(3) 0.136 Uiso 1 1 d . U . . .
C1B' C 0.1866(7) 0.1796(5) 0.0565(4) 0.069(2) Uani 0.390(9) 1 d D . P D 2
H4AA H 0.674(5) 0.457(2) 0.483(2) 0.083 Uiso 0.566(7) 1 d D U P C 1
H1BA H 0.225(5) 0.205(4) 0.015(3) 0.060(19) Uiso 0.390(9) 1 d D . P D 2
H4A' H 0.477(3) 0.537(4) 0.421(4) 0.073 Uiso 0.434(7) 1 d D U P C 2
C3B C 0.4231(5) -0.0307(3) 0.4117(3) 0.1202(16) Uani 1 1 d . . . . .
H3B H 0.466637 -0.054237 0.455325 0.144 Uiso 1 1 d R U . E .
C4B' C 0.2992(7) 0.0083(4) 0.4248(3) 0.071(2) Uani 0.458(10) 1 d D . P E 2
H4B' H 0.287667 0.026828 0.481970 0.085 Uiso 0.458(10) 1 d DR U P E 2
B1B B 0.2410(3) 0.1781(2) 0.1456(2) 0.0766(9) Uani 1 1 d . . . . .
H1BB H 0.320448 0.208621 0.136917 0.092 Uiso 0.610(9) 1 calc R U P D 1
H1BC H 0.300139 0.222637 0.151392 0.092 Uiso 0.390(9) 1 calc R U P D 2
B2B B 0.2557(3) 0.0861(3) 0.10489(19) 0.0773(9) Uani 1 1 d D . . . .
H2B H 0.343491 0.052712 0.091312 0.093 Uiso 1 1 calc R U . D 2
B3B B 0.1331(4) 0.0903(3) 0.0467(2) 0.0998(13) Uani 1 1 d D . . . .
H3BA H 0.144080 0.059231 -0.004693 0.120 Uiso 1 1 calc R U . D 2
H1B' H 0.205(4) 0.124(2) 0.062(3) 0.120 Uiso 0.610(9) 1 d D U P . .
B4B B -0.0069(5) 0.1888(3) 0.1398(3) 0.1084(12) Uani 1 1 d D U . . .
H4B H -0.093678 0.225104 0.149685 0.130 Uiso 1 1 calc R U . D 1
B5B B 0.1073(3) 0.1879(2) 0.2014(2) 0.0726(7) Uani 1 1 d D U . . .
H5B H 0.096510 0.221250 0.251434 0.087 Uiso 1 1 calc R U . D 1
H4BA H 0.085(4) 0.209(5) 0.143(2) 0.087 Uiso 0.390(9) 1 d D U P D 2
B6B B 0.1996(3) 0.09488(18) 0.19950(16) 0.0579(6) Uani 1 1 d . . . . .
B7B B 0.1281(3) 0.0395(2) 0.13553(18) 0.0697(8) Uani 1 1 d . . . . .
H7B H 0.132569 -0.024580 0.142625 0.084 Uiso 1 1 calc R U . . .
B8B B -0.0016(4) 0.0999(3) 0.1025(2) 0.0981(10) Uani 1 1 d . U . . .
H8B H -0.082305 0.075916 0.088080 0.118 Uiso 1 1 calc R U . . .
B9B B 0.0378(3) 0.1021(2) 0.19561(19) 0.0710(7) Uani 1 1 d . U . . .
H9B H -0.016375 0.078710 0.242132 0.085 Uiso 1 1 calc R U . . .
B10B B 0.2597(4) 0.0870(2) 0.36443(19) 0.0758(9) Uani 1 1 d . . . . .
H10B H 0.194118 0.126773 0.395577 0.091 Uiso 0.542(10) 1 calc R U P E 1
H10A H 0.220872 0.140810 0.390531 0.091 Uiso 0.458(10) 1 calc R U P E 2
B11B B 0.2090(4) -0.00364(19) 0.34759(18) 0.0715(8) Uani 1 1 d D . . . .
H11B H 0.113140 -0.010297 0.349913 0.086 Uiso 1 1 calc R U . E 2
H11A H 0.270(6) -0.021(3) 0.394(3) 0.12(3) Uiso 0.542(10) 1 d D . P E 1
B12B B 0.3188(6) -0.0803(3) 0.3804(3) 0.1120(16) Uani 1 1 d D . . . .
H12B H 0.293704 -0.136790 0.403329 0.134 Uiso 1 1 calc R U . E 2
B13B B 0.4961(5) 0.0192(3) 0.3507(3) 0.1129(16) Uani 1 1 d D . . . .
H13B H 0.590468 0.027798 0.355025 0.135 Uiso 1 1 calc R U . E 1
H13A H 0.423(6) 0.066(4) 0.3667(13) 0.11(3) Uiso 0.458(10) 1 d D . P E 2
B14B B 0.3959(4) 0.0942(3) 0.3113(2) 0.0838(10) Uani 1 1 d D . . . .
H14B H 0.423825 0.149720 0.288012 0.101 Uiso 1 1 calc R U . E 1
B15B B 0.2776(3) 0.05158(18) 0.27303(17) 0.0595(6) Uani 1 1 d . . . . .
B16B B 0.3146(3) -0.05337(19) 0.2856(2) 0.0727(8) Uani 1 1 d . . . . .
H16B H 0.287510 -0.092242 0.245864 0.087 Uiso 1 1 calc R U . . .
B17B B 0.4525(4) -0.0725(3) 0.3306(3) 0.1063(14) Uani 1 1 d . . . . .
H17B H 0.517972 -0.124395 0.320605 0.128 Uiso 1 1 calc R U . . .
B18B B 0.4307(3) 0.0064(3) 0.2635(2) 0.0833(10) Uani 1 1 d . . . . .
H18B H 0.480517 0.005260 0.209589 0.100 Uiso 1 1 calc R U . . .
C1D C 0.5460(4) 0.8118(4) 0.0437(3) 0.0832(14) Uani 0.669(4) 1 d . . P A 1
H1DC H 0.583105 0.810680 -0.005852 0.100 Uiso 0.669(4) 1 calc R U P A 1
H1DD H 0.582604 0.766656 0.073651 0.100 Uiso 0.669(4) 1 calc R U P A 1
C1F C 0.8862(4) 0.1494(2) 0.3800(2) 0.0877(12) Uani 0.822(5) 1 d . . P B 1
H1FC H 0.852842 0.116410 0.347484 0.105 Uiso 0.822(5) 1 calc R U P B 1
H1FD H 0.957809 0.165414 0.354833 0.105 Uiso 0.822(5) 1 calc R U P B 1
C2B C 0.1144(6) 0.2263(4) 0.1105(3) 0.087(2) Uani 0.610(9) 1 d D . P D 1
H2BA H 0.112(5) 0.2809(13) 0.106(3) 0.075(15) Uiso 0.610(9) 1 d D . P D 1
C3D C 0.3524(4) 0.8803(3) -0.0041(3) 0.0773(12) Uani 0.669(4) 1 d . . P A 1
H3DC H 0.374292 0.927206 0.014954 0.093 Uiso 0.669(4) 1 calc R U P A 1
H3DD H 0.265720 0.883177 -0.000058 0.093 Uiso 0.669(4) 1 calc R U P A 1
C3F C 0.8420(5) 0.2760(3) 0.4417(3) 0.1030(14) Uani 0.822(5) 1 d D U P B 1
H3FC H 0.786807 0.324339 0.442210 0.124 Uiso 0.822(5) 1 calc R U P B 1
H3FD H 0.840037 0.250885 0.491453 0.124 Uiso 0.822(5) 1 calc R U P B 1
C4A C 0.6729(5) 0.4987(3) 0.4455(3) 0.0652(15) Uani 0.566(7) 1 d D . P C 1
C4B C 0.3871(8) 0.0613(5) 0.4073(4) 0.102(3) Uani 0.542(10) 1 d D . P E 1
H4BB H 0.428(7) 0.096(4) 0.433(4) 0.12(3) Uiso 0.542(10) 1 d D . P E 1
C5D C 0.3963(5) 0.7345(3) 0.0098(3) 0.0804(13) Uani 0.669(4) 1 d . . P A 1
H5DC H 0.434237 0.692052 0.042361 0.097 Uiso 0.669(4) 1 calc R U P A 1
H5DD H 0.437876 0.731935 -0.038441 0.097 Uiso 0.669(4) 1 calc R U P A 1
C5F C 0.7810(5) 0.2673(3) 0.3129(3) 0.1001(15) Uani 0.822(5) 1 d . . P B 1
H5FC H 0.740289 0.319736 0.319497 0.120 Uiso 0.822(5) 1 calc R U P B 1
H5FD H 0.860657 0.272384 0.291793 0.120 Uiso 0.822(5) 1 calc R U P B 1
C7D C 0.3542(4) 0.8155(3) 0.1198(3) 0.0756(12) Uani 0.669(4) 1 d . . P A 1
H7DC H 0.365742 0.865507 0.137396 0.091 Uiso 0.669(4) 1 calc R U P A 1
H7DD H 0.268461 0.814098 0.118784 0.091 Uiso 0.669(4) 1 calc R U P A 1
C7F C 0.6795(4) 0.1995(3) 0.4196(3) 0.0937(13) Uani 0.822(5) 1 d . . P B 1
H7FC H 0.654553 0.164310 0.385754 0.112 Uiso 0.822(5) 1 calc R U P B 1
H7FD H 0.694221 0.169741 0.466646 0.112 Uiso 0.822(5) 1 calc R U P B 1


_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
N1C C1C 1.509(4) . ?
N1C C3C 1.511(4) . ?
N1C C5C 1.511(4) . ?
N1C C7C 1.507(4) . ?
C1C H1CA 0.9700 . ?
C1C H1CB 0.9700 . ?
C1C C2C 1.507(6) . ?
C2C H2CA 0.9600 . ?
C2C H2CB 0.9600 . ?
C2C H2CC 0.9600 . ?
C3C H3CA 0.9700 . ?
C3C H3CB 0.9700 . ?
C3C C4C 1.502(5) . ?
C4C H4CA 0.9600 . ?
C4C H4CB 0.9600 . ?
C4C H4CC 0.9600 . ?
C5C H5CA 0.9700 . ?
C5C H5CB 0.9700 . ?
C5C C6C 1.513(5) . ?
C6C H6CA 0.9600 . ?
C6C H6CB 0.9600 . ?
C6C H6CC 0.9600 . ?
C7C H7CA 0.9700 . ?
C7C H7CB 0.9700 . ?
C7C C8C 1.525(6) . ?
C8C H8CA 0.9600 . ?
C8C H8CB 0.9600 . ?
C8C H8CC 0.9600 . ?
N1D C1D' 1.481(9) . ?
N1D C3D' 1.535(8) . ?
N1D C5D' 1.596(9) . ?
N1D C7D' 1.449(9) . ?
N1D C1D 1.559(5) . ?
N1D C3D 1.486(5) . ?
N1D C5D 1.481(5) . ?
N1D C7D 1.534(5) . ?
C2D H2DA 0.9601 . ?
C2D H2DB 0.9600 . ?
C2D H2DC 0.9599 . ?
C2D H2DD 0.9602 . ?
C2D H2DE 0.9596 . ?
C2D H2DF 0.9601 . ?
C2D C1D' 1.823(12) . ?
C2D C1D 1.602(7) . ?
C4D H4DA 0.9600 . ?
C4D H4DB 0.9600 . ?
C4D H4DC 0.9600 . ?
C4D H4DD 0.9600 . ?
C4D H4DE 0.9600 . ?
C4D H4DF 0.9600 . ?
C4D C3D' 1.632(11) . ?
C4D C3D 1.629(7) . ?
C6D H6DA 0.9597 . ?
C6D H6DB 0.9600 . ?
C6D H6DC 0.9599 . ?
C6D H6DD 0.9597 . ?
C6D H6DE 0.9603 . ?
C6D H6DF 0.9603 . ?
C6D C5D' 1.538(11) . ?
C6D C5D 1.578(7) . ?
C8D H8DA 0.9600 . ?
C8D H8DB 0.9600 . ?
C8D H8DC 0.9600 . ?
C8D H8DD 0.9600 . ?
C8D H8DE 0.9600 . ?
C8D H8DF 0.9600 . ?
C8D C7D' 1.645(10) . ?
C8D C7D 1.523(6) . ?
C1D' H1DA 0.9700 . ?
C1D' H1DB 0.9700 . ?
C3D' H3DA 0.9700 . ?
C3D' H3DB 0.9700 . ?
C5D' H5DA 0.9700 . ?
C5D' H5DB 0.9700 . ?
C7D' H7DA 0.9700 . ?
C7D' H7DB 0.9700 . ?
N1E C1E 1.509(4) . ?
N1E C3E 1.522(4) . ?
N1E C5E 1.521(4) . ?
N1E C7E 1.510(4) . ?
C1E H1EA 0.9700 . ?
C1E H1EB 0.9700 . ?
C1E C2E 1.517(5) . ?
C2E H2EA 0.9600 . ?
C2E H2EB 0.9600 . ?
C2E H2EC 0.9600 . ?
C3E H3EA 0.9700 . ?
C3E H3EB 0.9700 . ?
C3E C4E 1.507(5) . ?
C4E H4EA 0.9600 . ?
C4E H4EB 0.9600 . ?
C4E H4EC 0.9600 . ?
C5E H5EA 0.9700 . ?
C5E H5EB 0.9700 . ?
C5E C6E 1.517(5) . ?
C6E H6EA 0.9600 . ?
C6E H6EB 0.9600 . ?
C6E H6EC 0.9600 . ?
C7E H7EA 0.9700 . ?
C7E H7EB 0.9700 . ?
C7E C8E 1.514(5) . ?
C8E H8EA 0.9600 . ?
C8E H8EB 0.9600 . ?
C8E H8EC 0.9600 . ?
N1F C7F' 1.570(15) . ?
N1F C5F' 1.46(2) . ?
N1F C3F' 1.41(3) . ?
N1F C1F' 1.490(18) . ?
N1F C1F 1.546(4) . ?
N1F C3F 1.516(6) . ?
N1F C5F 1.539(5) . ?
N1F C7F 1.475(5) . ?
C2F H2FA 0.9600 . ?
C2F H2FB 0.9601 . ?
C2F H2FC 0.9601 . ?
C2F H2FD 0.9602 . ?
C2F H2FE 0.9599 . ?
C2F H2FF 0.9599 . ?
C2F C1F' 1.439(17) . ?
C2F C1F 1.456(6) . ?
C4F H4FA 0.9603 . ?
C4F H4FB 0.9598 . ?
C4F H4FC 0.9603 . ?
C4F H4FD 0.9599 . ?
C4F H4FE 0.9607 . ?
C4F H4FF 0.9602 . ?
C4F C3F' 1.38(3) . ?
C4F C3F 1.463(7) . ?
C6F H6FA 0.9600 . ?
C6F H6FB 0.9600 . ?
C6F H6FC 0.9600 . ?
C6F H6FD 0.9600 . ?
C6F H6FE 0.9600 . ?
C6F H6FF 0.9600 . ?
C6F C5F' 1.34(2) . ?
C6F C5F 1.476(8) . ?
C8F H8FA 0.9600 . ?
C8F H8FB 0.9600 . ?
C8F H8FC 0.9600 . ?
C8F H8FD 0.9600 . ?
C8F H8FE 0.9600 . ?
C8F H8FF 0.9600 . ?
C8F C7F' 1.16(2) . ?
C8F C7F 1.467(7) . ?
C7F' H7FA 0.9700 . ?
C7F' H7FB 0.9700 . ?
C5F' H5FA 0.9700 . ?
C5F' H5FB 0.9700 . ?
C3F' H3FA 0.9700 . ?
C3F' H3FB 0.9700 . ?
C1F' H1FA 0.9700 . ?
C1F' H1FB 0.9700 . ?
C1A H1A 0.958(19) . ?
C1A C2A 1.569(5) . ?
C1A B3A 1.552(7) . ?
C1A B4A 1.707(5) . ?
C1A B8A 1.690(6) . ?
C2A H2A 1.022(19) . ?
C2A B1A 1.718(5) . ?
C2A B4A 1.747(5) . ?
C2A B5A 1.757(5) . ?
C3A H3A 0.97(4) . ?
C3A C4A' 1.503(10) . ?
C3A B12A 1.618(7) . ?
C3A B13A 1.686(6) . ?
C3A B17A 1.668(5) . ?
C3A C4A 1.649(6) . ?
C4A' B10A 1.686(10) . ?
C4A' B11A 1.662(9) . ?
C4A' B12A 1.502(10) . ?
C4A' H4A' 0.94(2) . ?
B1A H1AA 1.10(3) . ?
B1A B2A 1.807(5) . ?
B1A B5A 1.768(4) . ?
B1A B6A 1.786(4) . ?
B2A H2AA 1.13(3) . ?
B2A H2AB 1.161(18) . ?
B2A B3A 1.741(5) . ?
B2A B6A 1.792(4) . ?
B2A B7A 1.772(4) . ?
B3A H2AB 1.092(19) . ?
B3A H3AA 1.065(18) . ?
B3A B7A 1.771(6) . ?
B3A B8A 1.749(5) . ?
B4A H4A 1.1000 . ?
B4A B5A 1.767(5) . ?
B4A B8A 1.756(7) . ?
B4A B9A 1.776(6) . ?
B5A H5A 1.1000 . ?
B5A B6A 1.804(4) . ?
B5A B9A 1.776(5) . ?
B6A B7A 1.804(4) . ?
B6A B9A 1.820(4) . ?
B6A B15A 1.697(4) . ?
B7A H7A 1.1000 . ?
B7A B8A 1.771(6) . ?
B7A B9A 1.778(5) . ?
B8A H8A 1.1000 . ?
B8A B9A 1.768(5) . ?
B9A H9A 1.1000 . ?
B10A H10C 1.1000 . ?
B10A H10D 1.1000 . ?
B10A B11A 1.797(5) . ?
B10A B14A 1.779(5) . ?
B10A B15A 1.786(4) . ?
B10A C4A 1.769(6) . ?
B11A H11C 1.1000 . ?
B11A B12A 1.631(6) . ?
B11A H11D 1.13(2) . ?
B11A B15A 1.782(4) . ?
B11A B16A 1.788(4) . ?
B12A H12A 1.1000 . ?
B12A H11D 1.17(2) . ?
B12A B16A 1.782(6) . ?
B12A B17A 1.779(7) . ?
B13A H13C 1.1000 . ?
B13A H13D 1.13(2) . ?
B13A B14A 1.774(5) . ?
B13A B17A 1.772(6) . ?
B13A B18A 1.763(5) . ?
B13A C4A 1.760(6) . ?
B14A H13D 1.13(2) . ?
B14A H14A 1.1000 . ?
B14A B15A 1.828(4) . ?
B14A B18A 1.789(4) . ?
B14A C4A 1.766(6) . ?
B15A B16A 1.798(4) . ?
B15A B18A 1.833(4) . ?
B16A H16A 1.1000 . ?
B16A B17A 1.798(5) . ?
B16A B18A 1.772(5) . ?
B17A H17A 1.1000 . ?
B17A B18A 1.773(5) . ?
B18A H18A 1.1000 . ?
C1B H1B 0.95(5) . ?
C1B C1B' 1.513(9) . ?
C1B B3B 1.663(7) . ?
C1B B4B 1.586(7) . ?
C1B B8B 1.667(7) . ?
C1B C2B 1.553(8) . ?
C1B' H1BA 0.95(2) . ?
C1B' B1B 1.746(8) . ?
C1B' B2B 1.868(8) . ?
C1B' B3B 1.757(10) . ?
C1B' H1B' 0.95(4) . ?
C3B H3B 0.9803 . ?
C3B C4B' 1.479(9) . ?
C3B B12B 1.689(8) . ?
C3B B13B 1.613(8) . ?
C3B B17B 1.679(7) . ?
C3B C4B 1.583(9) . ?
C4B' H4B' 1.1000 . ?
C4B' B10B 1.702(7) . ?
C4B' B11B 1.805(7) . ?
C4B' B12B 1.763(8) . ?
B1B H1BB 1.1000 . ?
B1B H1BC 1.1000 . ?
B1B B2B 1.783(6) . ?
B1B B5B 1.766(5) . ?
B1B B6B 1.780(4) . ?
B1B C2B 1.675(7) . ?
B2B H2B 1.1000 . ?
B2B B3B 1.766(6) . ?
B2B H1B' 1.11(2) . ?
B2B B6B 1.802(4) . ?
B2B B7B 1.789(5) . ?
B3B H3BA 1.1000 . ?
B3B H1B' 1.12(2) . ?
B3B B7B 1.774(6) . ?
B3B B8B 1.775(6) . ?
B4B H4B 1.1000 . ?
B4B B5B 1.739(6) . ?
B4B H4BA 1.14(2) . ?
B4B B8B 1.715(8) . ?
B4B B9B 1.770(7) . ?
B4B C2B 1.641(8) . ?
B5B H5B 1.1000 . ?
B5B H4BA 1.12(2) . ?
B5B B6B 1.791(5) . ?
B5B B9B 1.782(5) . ?
B5B C2B 1.727(6) . ?
B6B B7B 1.835(4) . ?
B6B B9B 1.813(4) . ?
B6B B15B 1.697(4) . ?
B7B H7B 1.1000 . ?
B7B B8B 1.775(6) . ?
B7B B9B 1.772(5) . ?
B8B H8B 1.1000 . ?
B8B B9B 1.764(5) . ?
B9B H9B 1.1000 . ?
B10B H10B 1.1000 . ?
B10B H10A 1.1000 . ?
B10B B11B 1.792(5) . ?
B10B B14B 1.783(6) . ?
B10B B15B 1.795(4) . ?
B10B C4B 1.654(8) . ?
B11B H11B 1.1000 . ?
B11B H11A 1.11(2) . ?
B11B B12B 1.771(7) . ?
B11B B15B 1.798(4) . ?
B11B B16B 1.770(5) . ?
B12B H11A 1.14(2) . ?
B12B H12B 1.1000 . ?
B12B B16B 1.741(6) . ?
B12B B17B 1.732(8) . ?
B13B H13B 1.1000 . ?
B13B H13A 1.11(2) . ?
B13B B14B 1.731(7) . ?
B13B B17B 1.790(8) . ?
B13B B18B 1.811(7) . ?
B13B C4B 1.680(11) . ?
B14B H13A 1.12(2) . ?
B14B H14B 1.1000 . ?
B14B B15B 1.798(4) . ?
B14B B18B 1.788(6) . ?
B14B C4B 1.786(8) . ?
B15B B16B 1.804(4) . ?
B15B B18B 1.796(5) . ?
B16B H16B 1.1000 . ?
B16B B17B 1.766(6) . ?
B16B B18B 1.789(5) . ?
B17B H17B 1.1000 . ?
B17B B18B 1.756(6) . ?
B18B H18B 1.1000 . ?
C1D H1DC 0.9700 . ?
C1D H1DD 0.9700 . ?
C1F H1FC 0.9700 . ?
C1F H1FD 0.9700 . ?
C2B H2BA 0.94(2) . ?
C3D H3DC 0.9700 . ?
C3D H3DD 0.9700 . ?
C3F H3FC 0.9700 . ?
C3F H3FD 0.9700 . ?
C4A H4AA 0.95(2) . ?
C4B H4BB 0.95(2) . ?
C5D H5DC 0.9700 . ?
C5D H5DD 0.9700 . ?
C5F H5FC 0.9700 . ?
C5F H5FD 0.9700 . ?
C7D H7DC 0.9700 . ?
C7D H7DD 0.9700 . ?
C7F H7FC 0.9700 . ?
C7F H7FD 0.9700 . ?

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
C1C N1C C3C 112.1(3) . . ?
C1C N1C C5C 111.7(3) . . ?
C5C N1C C3C 105.9(2) . . ?
C7C N1C C1C 104.9(2) . . ?
C7C N1C C3C 111.4(3) . . ?
C7C N1C C5C 111.0(3) . . ?
N1C C1C H1CA 108.4 . . ?
N1C C1C H1CB 108.4 . . ?
H1CA C1C H1CB 107.4 . . ?
C2C C1C N1C 115.7(3) . . ?
C2C C1C H1CA 108.4 . . ?
C2C C1C H1CB 108.4 . . ?
C1C C2C H2CA 109.5 . . ?
C1C C2C H2CB 109.5 . . ?
C1C C2C H2CC 109.5 . . ?
H2CA C2C H2CB 109.5 . . ?
H2CA C2C H2CC 109.5 . . ?
H2CB C2C H2CC 109.5 . . ?
N1C C3C H3CA 108.4 . . ?
N1C C3C H3CB 108.4 . . ?
H3CA C3C H3CB 107.5 . . ?
C4C C3C N1C 115.4(3) . . ?
C4C C3C H3CA 108.4 . . ?
C4C C3C H3CB 108.4 . . ?
C3C C4C H4CA 109.5 . . ?
C3C C4C H4CB 109.5 . . ?
C3C C4C H4CC 109.5 . . ?
H4CA C4C H4CB 109.5 . . ?
H4CA C4C H4CC 109.5 . . ?
H4CB C4C H4CC 109.5 . . ?
N1C C5C H5CA 108.2 . . ?
N1C C5C H5CB 108.2 . . ?
N1C C5C C6C 116.5(3) . . ?
H5CA C5C H5CB 107.3 . . ?
C6C C5C H5CA 108.2 . . ?
C6C C5C H5CB 108.2 . . ?
C5C C6C H6CA 109.5 . . ?
C5C C6C H6CB 109.5 . . ?
C5C C6C H6CC 109.5 . . ?
H6CA C6C H6CB 109.5 . . ?
H6CA C6C H6CC 109.5 . . ?
H6CB C6C H6CC 109.5 . . ?
N1C C7C H7CA 108.6 . . ?
N1C C7C H7CB 108.6 . . ?
N1C C7C C8C 114.7(3) . . ?
H7CA C7C H7CB 107.6 . . ?
C8C C7C H7CA 108.6 . . ?
C8C C7C H7CB 108.6 . . ?
C7C C8C H8CA 109.5 . . ?
C7C C8C H8CB 109.5 . . ?
C7C C8C H8CC 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C1D' N1D C3D' 112.0(6) . . ?
C1D' N1D C5D' 103.3(6) . . ?
C3D' N1D C5D' 105.4(5) . . ?
C7D' N1D C1D' 117.3(6) . . ?
C7D' N1D C3D' 109.0(5) . . ?
C7D' N1D C5D' 108.9(6) . . ?
C3D N1D C1D 109.9(3) . . ?
C3D N1D C7D 106.9(3) . . ?
C5D N1D C1D 105.4(3) . . ?
C5D N1D C3D 114.6(3) . . ?
C5D N1D C7D 112.2(3) . . ?
C7D N1D C1D 107.7(3) . . ?
H2DA C2D H2DB 109.4 . . ?
H2DA C2D H2DC 109.5 . . ?
H2DB C2D H2DC 109.5 . . ?
H2DD C2D H2DE 109.5 . . ?
H2DD C2D H2DF 109.5 . . ?
H2DE C2D H2DF 109.5 . . ?
C1D' C2D H2DD 109.6 . . ?
C1D' C2D H2DE 109.4 . . ?
C1D' C2D H2DF 109.4 . . ?
C1D C2D H2DA 109.2 . . ?
C1D C2D H2DB 109.3 . . ?
C1D C2D H2DC 110.0 . . ?
H4DA C4D H4DB 109.5 . . ?
H4DA C4D H4DC 109.5 . . ?
H4DB C4D H4DC 109.5 . . ?
H4DD C4D H4DE 109.5 . . ?
H4DD C4D H4DF 109.4 . . ?
H4DE C4D H4DF 109.5 . . ?
C3D' C4D H4DD 109.5 . . ?
C3D' C4D H4DE 109.4 . . ?
C3D' C4D H4DF 109.5 . . ?
C3D C4D H4DA 109.5 . . ?
C3D C4D H4DB 109.5 . . ?
C3D C4D H4DC 109.5 . . ?
H6DA C6D H6DB 109.5 . . ?
H6DA C6D H6DC 109.5 . . ?
H6DB C6D H6DC 109.5 . . ?
H6DD C6D H6DE 109.5 . . ?
H6DD C6D H6DF 109.5 . . ?
H6DE C6D H6DF 109.5 . . ?
C5D' C6D H6DD 109.7 . . ?
C5D' C6D H6DE 109.3 . . ?
C5D' C6D H6DF 109.4 . . ?
C5D C6D H6DA 109.7 . . ?
C5D C6D H6DB 109.4 . . ?
C5D C6D H6DC 109.3 . . ?
H8DA C8D H8DB 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
H8DD C8D H8DE 109.5 . . ?
H8DD C8D H8DF 109.5 . . ?
H8DE C8D H8DF 109.5 . . ?
C7D' C8D H8DD 109.5 . . ?
C7D' C8D H8DE 109.5 . . ?
C7D' C8D H8DF 109.5 . . ?
C7D C8D H8DA 109.5 . . ?
C7D C8D H8DB 109.5 . . ?
C7D C8D H8DC 109.5 . . ?
N1D C1D' C2D 100.4(6) . . ?
N1D C1D' H1DA 111.7 . . ?
N1D C1D' H1DB 111.7 . . ?
C2D C1D' H1DA 111.7 . . ?
C2D C1D' H1DB 111.7 . . ?
H1DA C1D' H1DB 109.5 . . ?
N1D C3D' C4D 107.3(6) . . ?
N1D C3D' H3DA 110.3 . . ?
N1D C3D' H3DB 110.3 . . ?
C4D C3D' H3DA 110.3 . . ?
C4D C3D' H3DB 110.3 . . ?
H3DA C3D' H3DB 108.5 . . ?
N1D C5D' H5DA 110.1 . . ?
N1D C5D' H5DB 110.1 . . ?
C6D C5D' N1D 108.2(6) . . ?
C6D C5D' H5DA 110.1 . . ?
C6D C5D' H5DB 110.1 . . ?
H5DA C5D' H5DB 108.4 . . ?
N1D C7D' C8D 111.5(6) . . ?
N1D C7D' H7DA 109.3 . . ?
N1D C7D' H7DB 109.3 . . ?
C8D C7D' H7DA 109.3 . . ?
C8D C7D' H7DB 109.3 . . ?
H7DA C7D' H7DB 108.0 . . ?
C1E N1E C3E 110.7(3) . . ?
C1E N1E C5E 106.3(2) . . ?
C1E N1E C7E 110.8(2) . . ?
C5E N1E C3E 111.2(2) . . ?
C7E N1E C3E 107.2(2) . . ?
C7E N1E C5E 110.7(3) . . ?
N1E C1E H1EA 108.5 . . ?
N1E C1E H1EB 108.5 . . ?
N1E C1E C2E 115.1(3) . . ?
H1EA C1E H1EB 107.5 . . ?
C2E C1E H1EA 108.5 . . ?
C2E C1E H1EB 108.5 . . ?
C1E C2E H2EA 109.5 . . ?
C1E C2E H2EB 109.5 . . ?
C1E C2E H2EC 109.5 . . ?
H2EA C2E H2EB 109.5 . . ?
H2EA C2E H2EC 109.5 . . ?
H2EB C2E H2EC 109.5 . . ?
N1E C3E H3EA 108.5 . . ?
N1E C3E H3EB 108.5 . . ?
H3EA C3E H3EB 107.5 . . ?
C4E C3E N1E 115.3(3) . . ?
C4E C3E H3EA 108.5 . . ?
C4E C3E H3EB 108.5 . . ?
C3E C4E H4EA 109.5 . . ?
C3E C4E H4EB 109.5 . . ?
C3E C4E H4EC 109.5 . . ?
H4EA C4E H4EB 109.5 . . ?
H4EA C4E H4EC 109.5 . . ?
H4EB C4E H4EC 109.5 . . ?
N1E C5E H5EA 108.5 . . ?
N1E C5E H5EB 108.5 . . ?
H5EA C5E H5EB 107.5 . . ?
C6E C5E N1E 115.0(3) . . ?
C6E C5E H5EA 108.5 . . ?
C6E C5E H5EB 108.5 . . ?
C5E C6E H6EA 109.5 . . ?
C5E C6E H6EB 109.5 . . ?
C5E C6E H6EC 109.5 . . ?
H6EA C6E H6EB 109.5 . . ?
H6EA C6E H6EC 109.5 . . ?
H6EB C6E H6EC 109.5 . . ?
N1E C7E H7EA 108.5 . . ?
N1E C7E H7EB 108.5 . . ?
N1E C7E C8E 115.1(3) . . ?
H7EA C7E H7EB 107.5 . . ?
C8E C7E H7EA 108.5 . . ?
C8E C7E H7EB 108.5 . . ?
C7E C8E H8EA 109.5 . . ?
C7E C8E H8EB 109.5 . . ?
C7E C8E H8EC 109.5 . . ?
H8EA C8E H8EB 109.5 . . ?
H8EA C8E H8EC 109.5 . . ?
H8EB C8E H8EC 109.5 . . ?
C5F' N1F C7F' 106.8(14) . . ?
C5F' N1F C1F' 112.3(15) . . ?
C3F' N1F C7F' 105.0(16) . . ?
C3F' N1F C5F' 118(2) . . ?
C3F' N1F C1F' 116.5(16) . . ?
C1F' N1F C7F' 94.9(10) . . ?
C3F N1F C1F 109.9(3) . . ?
C3F N1F C5F 108.3(4) . . ?
C5F N1F C1F 106.8(3) . . ?
C7F N1F C1F 109.0(3) . . ?
C7F N1F C3F 111.1(3) . . ?
C7F N1F C5F 111.6(3) . . ?
H2FA C2F H2FB 109.5 . . ?
H2FA C2F H2FC 109.5 . . ?
H2FB C2F H2FC 109.5 . . ?
H2FD C2F H2FE 109.5 . . ?
H2FD C2F H2FF 109.5 . . ?
H2FE C2F H2FF 109.5 . . ?
C1F' C2F H2FD 109.3 . . ?
C1F' C2F H2FE 108.8 . . ?
C1F' C2F H2FF 110.4 . . ?
C1F C2F H2FA 109.5 . . ?
C1F C2F H2FB 109.5 . . ?
C1F C2F H2FC 109.5 . . ?
H4FA C4F H4FB 109.5 . . ?
H4FA C4F H4FC 109.4 . . ?
H4FB C4F H4FC 109.5 . . ?
H4FD C4F H4FE 109.5 . . ?
H4FD C4F H4FF 109.5 . . ?
H4FE C4F H4FF 109.4 . . ?
C3F' C4F H4FD 107.1 . . ?
C3F' C4F H4FE 111.4 . . ?
C3F' C4F H4FF 109.9 . . ?
C3F C4F H4FA 110.0 . . ?
C3F C4F H4FB 108.8 . . ?
C3F C4F H4FC 109.7 . . ?
H6FA C6F H6FB 109.5 . . ?
H6FA C6F H6FC 109.5 . . ?
H6FB C6F H6FC 109.5 . . ?
H6FD C6F H6FE 109.5 . . ?
H6FD C6F H6FF 109.5 . . ?
H6FE C6F H6FF 109.5 . . ?
C5F' C6F H6FD 109.5 . . ?
C5F' C6F H6FE 109.5 . . ?
C5F' C6F H6FF 109.5 . . ?
C5F C6F H6FA 109.5 . . ?
C5F C6F H6FB 109.5 . . ?
C5F C6F H6FC 109.5 . . ?
H8FA C8F H8FB 109.5 . . ?
H8FA C8F H8FC 109.5 . . ?
H8FB C8F H8FC 109.5 . . ?
H8FD C8F H8FE 109.5 . . ?
H8FD C8F H8FF 109.5 . . ?
H8FE C8F H8FF 109.5 . . ?
C7F' C8F H8FD 109.5 . . ?
C7F' C8F H8FE 109.5 . . ?
C7F' C8F H8FF 109.5 . . ?
C7F C8F H8FA 109.5 . . ?
C7F C8F H8FB 109.5 . . ?
C7F C8F H8FC 109.5 . . ?
N1F C7F' H7FA 103.6 . . ?
N1F C7F' H7FB 103.6 . . ?
C8F C7F' N1F 134(2) . . ?
C8F C7F' H7FA 103.6 . . ?
C8F C7F' H7FB 103.6 . . ?
H7FA C7F' H7FB 105.3 . . ?
N1F C5F' H5FA 104.4 . . ?
N1F C5F' H5FB 104.4 . . ?
C6F C5F' N1F 131(2) . . ?
C6F C5F' H5FA 104.4 . . ?
C6F C5F' H5FB 104.4 . . ?
H5FA C5F' H5FB 105.6 . . ?
N1F C3F' H3FA 104.1 . . ?
N1F C3F' H3FB 104.1 . . ?
C4F C3F' N1F 133(3) . . ?
C4F C3F' H3FA 104.1 . . ?
C4F C3F' H3FB 104.1 . . ?
H3FA C3F' H3FB 105.5 . . ?
N1F C1F' H1FA 107.0 . . ?
N1F C1F' H1FB 107.0 . . ?
C2F C1F' N1F 121.3(15) . . ?
C2F C1F' H1FA 107.0 . . ?
C2F C1F' H1FB 107.0 . . ?
H1FA C1F' H1FB 106.7 . . ?
C2A C1A H1A 119(3) . . ?
C2A C1A B4A 64.3(2) . . ?
C2A C1A B8A 114.8(3) . . ?
B3A C1A H1A 119(3) . . ?
B3A C1A C2A 111.6(3) . . ?
B3A C1A B4A 115.9(3) . . ?
B3A C1A B8A 65.1(3) . . ?
B4A C1A H1A 115(3) . . ?
B8A C1A H1A 115(3) . . ?
B8A C1A B4A 62.2(2) . . ?
C1A C2A H2A 114(3) . . ?
C1A C2A B1A 111.0(3) . . ?
C1A C2A B4A 61.7(2) . . ?
C1A C2A B5A 108.8(3) . . ?
B1A C2A H2A 125(2) . . ?
B1A C2A B4A 112.4(3) . . ?
B1A C2A B5A 61.17(18) . . ?
B4A C2A H2A 116(2) . . ?
B4A C2A B5A 60.55(19) . . ?
B5A C2A H2A 126(3) . . ?
C4A' C3A H3A 122(3) . . ?
C4A' C3A B12A 57.4(4) . . ?
C4A' C3A B13A 112.1(4) . . ?
C4A' C3A B17A 111.8(4) . . ?
B12A C3A H3A 110(2) . . ?
B12A C3A B13A 116.1(3) . . ?
B12A C3A B17A 65.6(3) . . ?
B12A C3A C4A 112.5(3) . . ?
B13A C3A H3A 122(2) . . ?
B17A C3A H3A 110(3) . . ?
B17A C3A B13A 63.8(2) . . ?
C4A C3A H3A 126(3) . . ?
C4A C3A B13A 63.7(3) . . ?
C4A C3A B17A 117.4(3) . . ?
C3A C4A' B10A 116.0(6) . . ?
C3A C4A' B11A 115.9(5) . . ?
C3A C4A' H4A' 126(4) . . ?
B10A C4A' H4A' 112(4) . . ?
B11A C4A' B10A 64.9(3) . . ?
B11A C4A' H4A' 105(4) . . ?
B12A C4A' C3A 65.2(5) . . ?
B12A C4A' B10A 117.5(5) . . ?
B12A C4A' B11A 61.8(4) . . ?
B12A C4A' H4A' 112(5) . . ?
C2A B1A H1AA 121.8(17) . . ?
C2A B1A B2A 103.6(3) . . ?
C2A B1A B5A 60.52(19) . . ?
C2A B1A B6A 107.2(2) . . ?
B2A B1A H1AA 128.0(17) . . ?
B5A B1A H1AA 115.6(16) . . ?
B5A B1A B2A 107.8(2) . . ?
B5A B1A B6A 61.01(17) . . ?
B6A B1A H1AA 120.2(16) . . ?
B6A B1A B2A 59.82(17) . . ?
B1A B2A H2AA 125.8(17) . . ?
B1A B2A H2AB 79.7(18) . . ?
H2AA B2A H2AB 115(3) . . ?
B3A B2A B1A 102.3(3) . . ?
B3A B2A H2AA 121.6(17) . . ?
B3A B2A H2AB 37.9(10) . . ?
B3A B2A B6A 106.7(2) . . ?
B3A B2A B7A 60.5(2) . . ?
B6A B2A B1A 59.50(17) . . ?
B6A B2A H2AA 124.7(17) . . ?
B6A B2A H2AB 119(2) . . ?
B7A B2A B1A 106.9(2) . . ?
B7A B2A H2AA 121.3(17) . . ?
B7A B2A H2AB 96.1(12) . . ?
B7A B2A B6A 60.84(17) . . ?
C1A B3A B2A 111.3(3) . . ?
C1A B3A H2AB 87.0(19) . . ?
C1A B3A H3AA 116(2) . . ?
C1A B3A B7A 108.5(3) . . ?
C1A B3A B8A 61.2(3) . . ?
B2A B3A H2AB 40.8(10) . . ?
B2A B3A H3AA 123(2) . . ?
B2A B3A B7A 60.6(2) . . ?
B2A B3A B8A 111.7(3) . . ?
H2AB B3A H3AA 113(3) . . ?
B7A B3A H2AB 98.9(13) . . ?
B7A B3A H3AA 125(2) . . ?
B8A B3A H2AB 128(2) . . ?
B8A B3A H3AA 117(2) . . ?
B8A B3A B7A 60.4(2) . . ?
C1A B4A C2A 54.0(2) . . ?
C1A B4A H4A 126.9 . . ?
C1A B4A B5A 102.4(2) . . ?
C1A B4A B8A 58.4(2) . . ?
C1A B4A B9A 103.3(3) . . ?
C2A B4A H4A 125.0 . . ?
C2A B4A B5A 60.01(19) . . ?
C2A B4A B8A 103.3(3) . . ?
C2A B4A B9A 105.4(2) . . ?
B5A B4A H4A 122.1 . . ?
B5A B4A B9A 60.16(19) . . ?
B8A B4A H4A 122.3 . . ?
B8A B4A B5A 107.9(3) . . ?
B8A B4A B9A 60.1(2) . . ?
B9A B4A H4A 122.7 . . ?
C2A B5A B1A 58.31(19) . . ?
C2A B5A B4A 59.4(2) . . ?
C2A B5A H5A 125.0 . . ?
C2A B5A B6A 104.7(2) . . ?
C2A B5A B9A 105.0(2) . . ?
B1A B5A H5A 121.3 . . ?
B1A B5A B6A 59.98(17) . . ?
B1A B5A B9A 108.8(2) . . ?
B4A B5A B1A 109.0(2) . . ?
B4A B5A H5A 120.4 . . ?
B4A B5A B6A 109.6(2) . . ?
B4A B5A B9A 60.2(2) . . ?
B6A B5A H5A 121.7 . . ?
B9A B5A H5A 121.8 . . ?
B9A B5A B6A 61.12(18) . . ?
B1A B6A B2A 60.69(18) . . ?
B1A B6A B5A 59.01(17) . . ?
B1A B6A B7A 106.4(2) . . ?
B1A B6A B9A 106.1(2) . . ?
B2A B6A B5A 106.9(2) . . ?
B2A B6A B7A 59.02(17) . . ?
B2A B6A B9A 106.5(2) . . ?
B5A B6A B7A 104.9(2) . . ?
B5A B6A B9A 58.66(18) . . ?
B7A B6A B9A 58.74(18) . . ?
B15A B6A B1A 122.7(2) . . ?
B15A B6A B2A 122.3(2) . . ?
B15A B6A B5A 123.1(2) . . ?
B15A B6A B7A 123.3(2) . . ?
B15A B6A B9A 122.5(2) . . ?
B2A B7A B6A 60.14(17) . . ?
B2A B7A H7A 120.8 . . ?
B2A B7A B9A 109.2(2) . . ?
B3A B7A B2A 58.9(2) . . ?
B3A B7A B6A 104.9(2) . . ?
B3A B7A H7A 124.8 . . ?
B3A B7A B8A 59.2(2) . . ?
B3A B7A B9A 104.9(3) . . ?
B6A B7A H7A 121.8 . . ?
B8A B7A B2A 109.2(3) . . ?
B8A B7A B6A 109.0(3) . . ?
B8A B7A H7A 120.9 . . ?
B8A B7A B9A 59.8(2) . . ?
B9A B7A B6A 61.08(17) . . ?
B9A B7A H7A 121.9 . . ?
C1A B8A B3A 53.6(2) . . ?
C1A B8A B4A 59.4(2) . . ?
C1A B8A B7A 102.5(2) . . ?
C1A B8A H8A 126.6 . . ?
C1A B8A B9A 104.3(3) . . ?
B3A B8A B4A 104.1(3) . . ?
B3A B8A B7A 60.4(2) . . ?
B3A B8A H8A 124.7 . . ?
B3A B8A B9A 106.2(2) . . ?
B4A B8A B7A 108.6(2) . . ?
B4A B8A H8A 121.6 . . ?
B4A B8A B9A 60.5(2) . . ?
B7A B8A H8A 121.9 . . ?
B9A B8A B7A 60.3(2) . . ?
B9A B8A H8A 122.1 . . ?
B4A B9A B5A 59.7(2) . . ?
B4A B9A B6A 108.5(2) . . ?
B4A B9A B7A 107.4(3) . . ?
B4A B9A H9A 122.0 . . ?
B5A B9A B6A 60.22(16) . . ?
B5A B9A B7A 107.3(2) . . ?
B5A B9A H9A 122.3 . . ?
B6A B9A H9A 121.0 . . ?
B7A B9A B6A 60.18(17) . . ?
B7A B9A H9A 122.1 . . ?
B8A B9A B4A 59.4(2) . . ?
B8A B9A B5A 106.9(3) . . ?
B8A B9A B6A 108.5(2) . . ?
B8A B9A B7A 59.9(2) . . ?
B8A B9A H9A 122.1 . . ?
C4A' B10A H10D 119.1 . . ?
C4A' B10A B11A 56.9(3) . . ?
C4A' B10A B14A 100.7(4) . . ?
C4A' B10A B15A 101.8(3) . . ?
B11A B10A H10C 114.0 . . ?
B11A B10A H10D 137.2 . . ?
B14A B10A H10C 137.4 . . ?
B14A B10A H10D 114.4 . . ?
B14A B10A B11A 107.8(2) . . ?
B14A B10A B15A 61.72(18) . . ?
B15A B10A H10C 136.8 . . ?
B15A B10A H10D 138.3 . . ?
B15A B10A B11A 59.66(17) . . ?
C4A B10A H10C 113.5 . . ?
C4A B10A B11A 106.0(3) . . ?
C4A B10A B14A 59.7(2) . . ?
C4A B10A B15A 108.8(2) . . ?
C4A' B11A B10A 58.2(4) . . ?
C4A' B11A H11C 127.8 . . ?
C4A' B11A B15A 102.9(4) . . ?
C4A' B11A B16A 102.5(4) . . ?
B10A B11A H11C 122.2 . . ?
B10A B11A H11D 68(3) . . ?
B12A B11A C4A' 54.2(4) . . ?
B12A B11A B10A 105.3(3) . . ?
B12A B11A H11C 122.2 . . ?
B12A B11A H11D 45.7(11) . . ?
B12A B11A B15A 109.1(3) . . ?
B12A B11A B16A 62.6(2) . . ?
B15A B11A B10A 59.86(18) . . ?
B15A B11A H11C 122.0 . . ?
B15A B11A H11D 109(5) . . ?
B15A B11A B16A 60.48(17) . . ?
B16A B11A B10A 108.1(2) . . ?
B16A B11A H11C 121.5 . . ?
B16A B11A H11D 99(3) . . ?
C3A B12A B11A 111.4(4) . . ?
C3A B12A H12A 123.2 . . ?
C3A B12A H11D 76(3) . . ?
C3A B12A B16A 107.1(3) . . ?
C3A B12A B17A 58.6(3) . . ?
C4A' B12A C3A 57.5(4) . . ?
C4A' B12A B11A 63.9(4) . . ?
C4A' B12A H12A 122.1 . . ?
C4A' B12A B16A 109.9(4) . . ?
C4A' B12A B17A 106.1(5) . . ?
B11A B12A H12A 116.3 . . ?
B11A B12A H11D 43.8(10) . . ?
B11A B12A B16A 63.0(2) . . ?
B11A B12A B17A 113.3(3) . . ?
B16A B12A H12A 120.8 . . ?
B16A B12A H11D 98(3) . . ?
B17A B12A H12A 121.5 . . ?
B17A B12A H11D 115(5) . . ?
B17A B12A B16A 60.7(2) . . ?
C3A B13A H13C 126.8 . . ?
C3A B13A H13D 76(3) . . ?
C3A B13A B14A 103.0(3) . . ?
C3A B13A B17A 57.6(2) . . ?
C3A B13A B18A 102.9(3) . . ?
C3A B13A C4A 57.1(3) . . ?
B14A B13A H13C 122.1 . . ?
B14A B13A H13D 38.2(11) . . ?
B17A B13A H13C 121.6 . . ?
B17A B13A H13D 114(4) . . ?
B17A B13A B14A 108.7(3) . . ?
B18A B13A H13C 122.4 . . ?
B18A B13A H13D 93(2) . . ?
B18A B13A B14A 60.76(19) . . ?
B18A B13A B17A 60.2(2) . . ?
C4A B13A H13C 122.2 . . ?
C4A B13A B14A 60.0(2) . . ?
C4A B13A B17A 106.7(3) . . ?
C4A B13A B18A 107.8(3) . . ?
B10A B14A H13D 79(3) . . ?
B10A B14A H14A 121.9 . . ?
B10A B14A B15A 59.32(18) . . ?
B10A B14A B18A 107.6(2) . . ?
B13A B14A B10A 108.1(3) . . ?
B13A B14A H13D 38.5(11) . . ?
B13A B14A H14A 121.6 . . ?
B13A B14A B15A 108.5(2) . . ?
B13A B14A B18A 59.34(19) . . ?
B15A B14A H13D 115(4) . . ?
B15A B14A H14A 121.6 . . ?
B18A B14A H13D 92(2) . . ?
B18A B14A H14A 122.2 . . ?
B18A B14A B15A 60.87(17) . . ?
C4A B14A B10A 59.9(2) . . ?
C4A B14A B13A 59.6(2) . . ?
C4A B14A H14A 122.7 . . ?
C4A B14A B15A 107.1(3) . . ?
C4A B14A B18A 106.4(3) . . ?
B6A B15A B10A 122.7(2) . . ?
B6A B15A B11A 124.0(2) . . ?
B6A B15A B14A 122.2(2) . . ?
B6A B15A B16A 122.1(2) . . ?
B6A B15A B18A 122.8(2) . . ?
B10A B15A B14A 58.96(18) . . ?
B10A B15A B16A 108.2(2) . . ?
B10A B15A B18A 105.4(2) . . ?
B11A B15A B10A 60.47(19) . . ?
B11A B15A B14A 106.3(2) . . ?
B11A B15A B16A 59.93(18) . . ?
B11A B15A B18A 105.1(2) . . ?
B14A B15A B18A 58.50(16) . . ?
B16A B15A B14A 106.1(2) . . ?
B16A B15A B18A 58.41(17) . . ?
B11A B16A B15A 59.59(17) . . ?
B11A B16A H16A 123.9 . . ?
B11A B16A B17A 105.3(3) . . ?
B12A B16A B11A 54.4(2) . . ?
B12A B16A B15A 102.0(3) . . ?
B12A B16A H16A 126.8 . . ?
B12A B16A B17A 59.6(2) . . ?
B15A B16A H16A 122.1 . . ?
B15A B16A B17A 108.6(2) . . ?
B17A B16A H16A 121.5 . . ?
B18A B16A B11A 107.4(2) . . ?
B18A B16A B12A 104.1(3) . . ?
B18A B16A B15A 61.77(17) . . ?
B18A B16A H16A 121.7 . . ?
B18A B16A B17A 59.5(2) . . ?
C3A B17A B12A 55.9(3) . . ?
C3A B17A B13A 58.6(2) . . ?
C3A B17A B16A 104.2(3) . . ?
C3A B17A H17A 125.6 . . ?
C3A B17A B18A 103.2(3) . . ?
B12A B17A B16A 59.7(2) . . ?
B12A B17A H17A 124.7 . . ?
B13A B17A B12A 104.2(3) . . ?
B13A B17A B16A 108.1(3) . . ?
B13A B17A H17A 122.1 . . ?
B13A B17A B18A 59.7(2) . . ?
B16A B17A H17A 121.8 . . ?
B18A B17A B12A 104.1(3) . . ?
B18A B17A B16A 59.48(18) . . ?
B18A B17A H17A 123.9 . . ?
B13A B18A B14A 59.9(2) . . ?
B13A B18A B15A 108.8(2) . . ?
B13A B18A B16A 109.7(3) . . ?
B13A B18A B17A 60.2(2) . . ?
B13A B18A H18A 121.1 . . ?
B14A B18A B15A 60.64(17) . . ?
B14A B18A H18A 121.5 . . ?
B15A B18A H18A 121.5 . . ?
B16A B18A B14A 109.0(2) . . ?
B16A B18A B15A 59.82(16) . . ?
B16A B18A B17A 61.0(2) . . ?
B16A B18A H18A 120.7 . . ?
B17A B18A B14A 108.0(2) . . ?
B17A B18A B15A 108.2(2) . . ?
B17A B18A H18A 121.6 . . ?
C1B' C1B H1B 121(3) . . ?
C1B' C1B B3B 66.9(4) . . ?
C1B' C1B B4B 112.6(4) . . ?
C1B' C1B B8B 119.4(4) . . ?
B3B C1B H1B 119(3) . . ?
B3B C1B B8B 64.4(3) . . ?
B4B C1B H1B 113(3) . . ?
B4B C1B B3B 116.4(4) . . ?
B4B C1B B8B 63.6(3) . . ?
B8B C1B H1B 113(3) . . ?
C2B C1B H1B 120(3) . . ?
C2B C1B B3B 112.3(4) . . ?
C2B C1B B4B 63.0(4) . . ?
C2B C1B B8B 114.7(3) . . ?
C1B C1B' H1BA 121(4) . . ?
C1B C1B' B1B 111.3(5) . . ?
C1B C1B' B2B 106.3(5) . . ?
C1B C1B' B3B 60.6(4) . . ?
C1B C1B' H1B' 93(3) . . ?
H1BA C1B' H1B' 115(6) . . ?
B1B C1B' H1BA 121(4) . . ?
B1B C1B' B2B 59.0(3) . . ?
B1B C1B' B3B 108.5(4) . . ?
B1B C1B' H1B' 86(3) . . ?
B2B C1B' H1BA 123(4) . . ?
B2B C1B' H1B' 27(2) . . ?
B3B C1B' H1BA 119(4) . . ?
B3B C1B' B2B 58.2(3) . . ?
B3B C1B' H1B' 34.9(15) . . ?
C4B' C3B H3B 117.2 . . ?
C4B' C3B B12B 67.3(4) . . ?
C4B' C3B B13B 111.4(4) . . ?
C4B' C3B B17B 116.4(4) . . ?
B12B C3B H3B 117.1 . . ?
B13B C3B H3B 116.9 . . ?
B13B C3B B12B 117.3(4) . . ?
B13B C3B B17B 65.8(3) . . ?
B17B C3B H3B 118.5 . . ?
B17B C3B B12B 61.9(3) . . ?
C4B C3B H3B 116.8 . . ?
C4B C3B B12B 114.3(4) . . ?
C4B C3B B13B 63.4(4) . . ?
C4B C3B B17B 116.7(4) . . ?
C3B C4B' H4B' 109.9 . . ?
C3B C4B' B10B 113.7(5) . . ?
C3B C4B' B11B 109.8(4) . . ?
C3B C4B' B12B 62.1(4) . . ?
B10B C4B' H4B' 109.1 . . ?
B10B C4B' B11B 61.4(3) . . ?
B10B C4B' B12B 112.0(4) . . ?
B11B C4B' H4B' 139.3 . . ?
B12B C4B' H4B' 137.5 . . ?
B12B C4B' B11B 59.5(3) . . ?
C1B' B1B H1BC 113.5 . . ?
C1B' B1B B2B 63.9(3) . . ?
C1B' B1B B5B 102.1(3) . . ?
C1B' B1B B6B 109.1(3) . . ?
B2B B1B H1BB 114.2 . . ?
B2B B1B H1BC 135.4 . . ?
B5B B1B H1BB 136.6 . . ?
B5B B1B H1BC 115.2 . . ?
B5B B1B B2B 108.3(2) . . ?
B5B B1B B6B 60.66(18) . . ?
B6B B1B H1BB 137.4 . . ?
B6B B1B H1BC 136.8 . . ?
B6B B1B B2B 60.77(19) . . ?
C2B B1B H1BB 115.3 . . ?
C2B B1B B2B 103.3(3) . . ?
C2B B1B B5B 60.2(3) . . ?
C2B B1B B6B 106.5(3) . . ?
C1B' B2B H2B 126.8 . . ?
C1B' B2B H1B' 23(2) . . ?
B1B B2B C1B' 57.1(3) . . ?
B1B B2B H2B 122.5 . . ?
B1B B2B H1B' 79(3) . . ?
B1B B2B B6B 59.52(18) . . ?
B1B B2B B7B 107.7(2) . . ?
H2B B2B H1B' 120.8 . . ?
B3B B2B C1B' 57.7(3) . . ?
B3B B2B B1B 106.5(3) . . ?
B3B B2B H2B 121.6 . . ?
B3B B2B H1B' 37.9(11) . . ?
B3B B2B B6B 108.9(3) . . ?
B3B B2B B7B 59.9(2) . . ?
B6B B2B C1B' 103.0(3) . . ?
B6B B2B H2B 121.8 . . ?
B6B B2B H1B' 117(4) . . ?
B7B B2B C1B' 102.9(3) . . ?
B7B B2B H2B 122.3 . . ?
B7B B2B H1B' 93(2) . . ?
B7B B2B B6B 61.46(17) . . ?
C1B B3B C1B' 52.4(3) . . ?
C1B B3B B2B 104.6(4) . . ?
C1B B3B H3BA 127.1 . . ?
C1B B3B H1B' 79(3) . . ?
C1B B3B B7B 103.9(3) . . ?
C1B B3B B8B 57.9(3) . . ?
C1B' B3B B2B 64.1(3) . . ?
C1B' B3B H3BA 123.9 . . ?
C1B' B3B H1B' 29(2) . . ?
C1B' B3B B7B 108.2(3) . . ?
C1B' B3B B8B 102.2(4) . . ?
B2B B3B H3BA 119.7 . . ?
B2B B3B H1B' 37.6(11) . . ?
B2B B3B B7B 60.7(2) . . ?
B2B B3B B8B 108.7(3) . . ?
H3BA B3B H1B' 119.3 . . ?
B7B B3B H3BA 121.7 . . ?
B7B B3B H1B' 94(2) . . ?
B7B B3B B8B 60.0(2) . . ?
B8B B3B H3BA 123.3 . . ?
B8B B3B H1B' 117(4) . . ?
C1B B4B H4B 123.1 . . ?
C1B B4B B5B 108.2(4) . . ?
C1B B4B H4BA 76(3) . . ?
C1B B4B B8B 60.5(3) . . ?
C1B B4B B9B 107.2(4) . . ?
C1B B4B C2B 57.5(4) . . ?
B5B B4B H4B 119.6 . . ?
B5B B4B H4BA 39.0(11) . . ?
B5B B4B B9B 61.0(2) . . ?
B8B B4B H4B 120.2 . . ?
B8B B4B B5B 111.4(3) . . ?
B8B B4B H4BA 114(5) . . ?
B8B B4B B9B 60.8(3) . . ?
B9B B4B H4B 121.7 . . ?
B9B B4B H4BA 91(3) . . ?
C2B B4B H4B 122.5 . . ?
C2B B4B B5B 61.4(3) . . ?
C2B B4B B8B 107.9(4) . . ?
C2B B4B B9B 107.9(4) . . ?
B1B B5B H5B 122.7 . . ?
B1B B5B H4BA 72(3) . . ?
B1B B5B B6B 60.06(19) . . ?
B1B B5B B9B 107.9(3) . . ?
B4B B5B B1B 104.9(3) . . ?
B4B B5B H5B 122.9 . . ?
B4B B5B H4BA 39.9(11) . . ?
B4B B5B B6B 107.9(3) . . ?
B4B B5B B9B 60.4(3) . . ?
B6B B5B H5B 121.8 . . ?
B6B B5B H4BA 108(5) . . ?
B9B B5B H5B 121.7 . . ?
B9B B5B H4BA 92(3) . . ?
B9B B5B B6B 60.97(18) . . ?
C2B B5B B1B 57.3(3) . . ?
C2B B5B B4B 56.5(3) . . ?
C2B B5B H5B 126.3 . . ?
C2B B5B B6B 103.8(3) . . ?
C2B B5B B9B 103.7(3) . . ?
B1B B6B B2B 59.7(2) . . ?
B1B B6B B5B 59.29(19) . . ?
B1B B6B B7B 105.9(2) . . ?
B1B B6B B9B 106.0(2) . . ?
B2B B6B B7B 58.92(18) . . ?
B2B B6B B9B 105.4(2) . . ?
B5B B6B B2B 106.4(2) . . ?
B5B B6B B7B 105.3(2) . . ?
B5B B6B B9B 59.28(19) . . ?
B9B B6B B7B 58.13(17) . . ?
B15B B6B B1B 123.1(2) . . ?
B15B B6B B2B 122.4(2) . . ?
B15B B6B B5B 123.5(2) . . ?
B15B B6B B7B 122.8(2) . . ?
B15B B6B B9B 123.3(2) . . ?
B2B B7B B6B 59.62(17) . . ?
B2B B7B H7B 122.1 . . ?
B3B B7B B2B 59.4(2) . . ?
B3B B7B B6B 107.1(3) . . ?
B3B B7B H7B 122.3 . . ?
B3B B7B B8B 60.0(2) . . ?
B3B B7B B9B 107.4(3) . . ?
B6B B7B H7B 121.9 . . ?
B8B B7B B2B 107.6(3) . . ?
B8B B7B B6B 107.9(3) . . ?
B8B B7B H7B 121.8 . . ?
B9B B7B B2B 107.7(2) . . ?
B9B B7B B6B 60.29(17) . . ?
B9B B7B H7B 121.9 . . ?
B9B B7B B8B 59.7(2) . . ?
C1B B8B B3B 57.7(3) . . ?
C1B B8B B4B 55.9(3) . . ?
C1B B8B B7B 103.7(3) . . ?
C1B B8B H8B 126.2 . . ?
C1B B8B B9B 103.9(3) . . ?
B3B B8B B7B 60.0(2) . . ?
B3B B8B H8B 122.7 . . ?
B4B B8B B3B 104.6(4) . . ?
B4B B8B B7B 107.4(3) . . ?
B4B B8B H8B 123.0 . . ?
B4B B8B B9B 61.1(3) . . ?
B7B B8B H8B 122.3 . . ?
B9B B8B B3B 107.7(3) . . ?
B9B B8B B7B 60.1(2) . . ?
B9B B8B H8B 121.7 . . ?
B4B B9B B5B 58.6(2) . . ?
B4B B9B B6B 105.6(3) . . ?
B4B B9B B7B 105.1(3) . . ?
B4B B9B H9B 124.8 . . ?
B5B B9B B6B 59.75(18) . . ?
B5B B9B H9B 122.0 . . ?
B6B B9B H9B 121.2 . . ?
B7B B9B B5B 108.4(2) . . ?
B7B B9B B6B 61.57(17) . . ?
B7B B9B H9B 121.6 . . ?
B8B B9B B4B 58.1(3) . . ?
B8B B9B B5B 107.1(3) . . ?
B8B B9B B6B 109.3(2) . . ?
B8B B9B B7B 60.2(2) . . ?
B8B B9B H9B 121.7 . . ?
C4B' B10B H10A 115.0 . . ?
C4B' B10B B11B 62.1(3) . . ?
C4B' B10B B14B 102.3(4) . . ?
C4B' B10B B15B 106.3(3) . . ?
B11B B10B H10B 114.1 . . ?
B11B B10B H10A 135.7 . . ?
B11B B10B B15B 60.18(17) . . ?
B14B B10B H10B 136.4 . . ?
B14B B10B H10A 114.8 . . ?
B14B B10B B11B 108.4(3) . . ?
B14B B10B B15B 60.3(2) . . ?
B15B B10B H10B 137.7 . . ?
B15B B10B H10A 138.0 . . ?
C4B B10B H10B 113.1 . . ?
C4B B10B B11B 104.8(4) . . ?
C4B B10B B14B 62.5(4) . . ?
C4B B10B B15B 108.5(4) . . ?
C4B' B11B H11B 126.9 . . ?
B10B B11B C4B' 56.5(3) . . ?
B10B B11B H11B 121.9 . . ?
B10B B11B H11A 78(3) . . ?
B10B B11B B15B 60.00(18) . . ?
B12B B11B C4B' 59.1(3) . . ?
B12B B11B B10B 107.5(3) . . ?
B12B B11B H11B 121.4 . . ?
B12B B11B H11A 38.4(12) . . ?
B12B B11B B15B 107.8(3) . . ?
B15B B11B C4B' 102.0(3) . . ?
B15B B11B H11B 122.7 . . ?
B15B B11B H11A 112(5) . . ?
B16B B11B C4B' 102.6(3) . . ?
B16B B11B B10B 108.0(3) . . ?
B16B B11B H11B 122.8 . . ?
B16B B11B H11A 91(3) . . ?
B16B B11B B12B 58.9(2) . . ?
B16B B11B B15B 60.74(18) . . ?
C3B B12B C4B' 50.7(3) . . ?
C3B B12B B11B 102.2(3) . . ?
C3B B12B H11A 74(3) . . ?
C3B B12B H12B 127.4 . . ?
C3B B12B B16B 104.6(4) . . ?
C3B B12B B17B 58.8(3) . . ?
C4B' B12B B11B 61.4(3) . . ?
C4B' B12B H12B 126.7 . . ?
B11B B12B H11A 37.4(11) . . ?
B11B B12B H12B 121.2 . . ?
B16B B12B C4B' 105.5(3) . . ?
B16B B12B B11B 60.5(2) . . ?
B16B B12B H11A 91(3) . . ?
B16B B12B H12B 121.5 . . ?
B17B B12B C4B' 100.5(4) . . ?
B17B B12B B11B 108.6(3) . . ?
B17B B12B H11A 112(4) . . ?
B17B B12B H12B 122.6 . . ?
B17B B12B B16B 61.1(3) . . ?
C3B B13B H13B 124.2 . . ?
C3B B13B H13A 81(4) . . ?
C3B B13B B14B 108.1(4) . . ?
C3B B13B B17B 58.8(3) . . ?
C3B B13B B18B 104.2(4) . . ?
C3B B13B C4B 57.4(4) . . ?
B14B B13B H13B 119.5 . . ?
B14B B13B H13A 39.2(11) . . ?
B14B B13B B17B 108.8(3) . . ?
B14B B13B B18B 60.6(2) . . ?
B17B B13B H13B 122.7 . . ?
B17B B13B H13A 117(5) . . ?
B17B B13B B18B 58.3(3) . . ?
B18B B13B H13B 123.2 . . ?
B18B B13B H13A 94(3) . . ?
C4B B13B H13B 121.7 . . ?
C4B B13B B14B 63.1(3) . . ?
C4B B13B B17B 106.3(5) . . ?
C4B B13B B18B 108.1(4) . . ?
B10B B14B H13A 74(4) . . ?
B10B B14B H14B 124.0 . . ?
B10B B14B B15B 60.18(19) . . ?
B10B B14B B18B 107.2(3) . . ?
B10B B14B C4B 55.2(3) . . ?
B13B B14B B10B 103.7(3) . . ?
B13B B14B H13A 39.0(11) . . ?
B13B B14B H14B 122.3 . . ?
B13B B14B B15B 108.2(3) . . ?
B13B B14B B18B 61.9(3) . . ?
B13B B14B C4B 57.1(4) . . ?
B15B B14B H13A 113(5) . . ?
B15B B14B H14B 122.2 . . ?
B18B B14B H13A 95(3) . . ?
B18B B14B H14B 121.2 . . ?
B18B B14B B15B 60.1(2) . . ?
C4B B14B H14B 126.8 . . ?
C4B B14B B15B 102.7(4) . . ?
C4B B14B B18B 104.6(4) . . ?
B6B B15B B10B 123.4(2) . . ?
B6B B15B B11B 122.2(2) . . ?
B6B B15B B14B 122.5(2) . . ?
B6B B15B B16B 121.7(2) . . ?
B6B B15B B18B 122.4(2) . . ?
B10B B15B B11B 59.82(18) . . ?
B10B B15B B14B 59.5(2) . . ?
B10B B15B B16B 106.4(2) . . ?
B10B B15B B18B 106.3(2) . . ?
B11B B15B B16B 58.86(18) . . ?
B14B B15B B11B 107.5(2) . . ?
B14B B15B B16B 107.4(2) . . ?
B18B B15B B11B 106.3(2) . . ?
B18B B15B B14B 59.7(2) . . ?
B18B B15B B16B 59.6(2) . . ?
B11B B16B B15B 60.40(17) . . ?
B11B B16B H16B 121.6 . . ?
B11B B16B B18B 107.9(3) . . ?
B12B B16B B11B 60.6(3) . . ?
B12B B16B B15B 108.8(3) . . ?
B12B B16B H16B 121.6 . . ?
B12B B16B B17B 59.2(3) . . ?
B12B B16B B18B 107.4(3) . . ?
B15B B16B H16B 121.4 . . ?
B17B B16B B11B 107.1(3) . . ?
B17B B16B B15B 107.2(3) . . ?
B17B B16B H16B 122.9 . . ?
B17B B16B B18B 59.2(2) . . ?
B18B B16B B15B 59.99(19) . . ?
B18B B16B H16B 122.2 . . ?
C3B B17B B12B 59.3(3) . . ?
C3B B17B B13B 55.3(3) . . ?
C3B B17B B16B 104.0(3) . . ?
C3B B17B H17B 126.3 . . ?
C3B B17B B18B 103.9(3) . . ?
B12B B17B B13B 106.4(4) . . ?
B12B B17B B16B 59.7(3) . . ?
B12B B17B H17B 121.3 . . ?
B12B B17B B18B 109.3(3) . . ?
B13B B17B H17B 122.6 . . ?
B16B B17B B13B 108.2(3) . . ?
B16B B17B H17B 122.1 . . ?
B18B B17B B13B 61.4(3) . . ?
B18B B17B B16B 61.1(2) . . ?
B18B B17B H17B 121.0 . . ?
B13B B18B H18B 124.1 . . ?
B14B B18B B13B 57.5(3) . . ?
B14B B18B B15B 60.2(2) . . ?
B14B B18B B16B 108.5(3) . . ?
B14B B18B H18B 122.0 . . ?
B15B B18B B13B 104.8(3) . . ?
B15B B18B H18B 122.3 . . ?
B16B B18B B13B 106.3(3) . . ?
B16B B18B B15B 60.44(18) . . ?
B16B B18B H18B 121.6 . . ?
B17B B18B B13B 60.2(3) . . ?
B17B B18B B14B 107.7(3) . . ?
B17B B18B B15B 108.0(3) . . ?
B17B B18B B16B 59.8(2) . . ?
B17B B18B H18B 121.3 . . ?
N1D C1D C2D 107.4(4) . . ?
N1D C1D H1DC 110.2 . . ?
N1D C1D H1DD 110.2 . . ?
C2D C1D H1DC 110.2 . . ?
C2D C1D H1DD 110.2 . . ?
H1DC C1D H1DD 108.5 . . ?
N1F C1F H1FC 108.2 . . ?
N1F C1F H1FD 108.2 . . ?
C2F C1F N1F 116.5(3) . . ?
C2F C1F H1FC 108.2 . . ?
C2F C1F H1FD 108.2 . . ?
H1FC C1F H1FD 107.3 . . ?
C1B C2B B1B 113.1(5) . . ?
C1B C2B B4B 59.5(3) . . ?
C1B C2B B5B 110.3(4) . . ?
C1B C2B H2BA 126(3) . . ?
B1B C2B B5B 62.5(2) . . ?
B1B C2B H2BA 114(3) . . ?
B4B C2B B1B 113.8(4) . . ?
B4B C2B B5B 62.1(3) . . ?
B4B C2B H2BA 119(3) . . ?
B5B C2B H2BA 113(3) . . ?
N1D C3D C4D 109.9(4) . . ?
N1D C3D H3DC 109.7 . . ?
N1D C3D H3DD 109.7 . . ?
C4D C3D H3DC 109.7 . . ?
C4D C3D H3DD 109.7 . . ?
H3DC C3D H3DD 108.2 . . ?
N1F C3F H3FC 107.8 . . ?
N1F C3F H3FD 107.8 . . ?
C4F C3F N1F 118.1(5) . . ?
C4F C3F H3FC 107.8 . . ?
C4F C3F H3FD 107.8 . . ?
H3FC C3F H3FD 107.1 . . ?
C3A C4A B10A 104.6(3) . . ?
C3A C4A B13A 59.2(3) . . ?
C3A C4A B14A 104.8(3) . . ?
C3A C4A H4AA 121(4) . . ?
B10A C4A H4AA 125(4) . . ?
B13A C4A B10A 109.1(3) . . ?
B13A C4A B14A 60.4(2) . . ?
B13A C4A H4AA 120(4) . . ?
B14A C4A B10A 60.4(2) . . ?
B14A C4A H4AA 126(4) . . ?
C3B C4B B10B 110.9(6) . . ?
C3B C4B B13B 59.2(4) . . ?
C3B C4B B14B 106.8(5) . . ?
C3B C4B H4BB 123(5) . . ?
B10B C4B B13B 112.0(4) . . ?
B10B C4B B14B 62.3(3) . . ?
B10B C4B H4BB 125(5) . . ?
B13B C4B B14B 59.8(4) . . ?
B13B C4B H4BB 103(5) . . ?
B14B C4B H4BB 106(5) . . ?
N1D C5D C6D 112.2(4) . . ?
N1D C5D H5DC 109.2 . . ?
N1D C5D H5DD 109.2 . . ?
C6D C5D H5DC 109.2 . . ?
C6D C5D H5DD 109.2 . . ?
H5DC C5D H5DD 107.9 . . ?
N1F C5F H5FC 108.3 . . ?
N1F C5F H5FD 108.3 . . ?
C6F C5F N1F 116.1(5) . . ?
C6F C5F H5FC 108.3 . . ?
C6F C5F H5FD 108.3 . . ?
H5FC C5F H5FD 107.4 . . ?
N1D C7D H7DC 108.8 . . ?
N1D C7D H7DD 108.8 . . ?
C8D C7D N1D 113.7(3) . . ?
C8D C7D H7DC 108.8 . . ?
C8D C7D H7DD 108.8 . . ?
H7DC C7D H7DD 107.7 . . ?
N1F C7F H7FC 107.9 . . ?
N1F C7F H7FD 107.9 . . ?
C8F C7F N1F 117.8(5) . . ?
C8F C7F H7FC 107.9 . . ?
C8F C7F H7FD 107.9 . . ?
H7FC C7F H7FD 107.2 . . ?

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
C1C N1C C3C C4C 61.5(5) . . . . ?
C1C N1C C5C C6C -54.8(5) . . . . ?
C1C N1C C7C C8C -177.0(4) . . . . ?
C3C N1C C1C C2C 56.2(5) . . . . ?
C3C N1C C5C C6C -177.1(4) . . . . ?
C3C N1C C7C C8C -55.5(5) . . . . ?
C5C N1C C1C C2C -62.5(5) . . . . ?
C5C N1C C3C C4C -176.4(4) . . . . ?
C5C N1C C7C C8C 62.2(5) . . . . ?
C7C N1C C1C C2C 177.2(4) . . . . ?
C7C N1C C3C C4C -55.6(5) . . . . ?
C7C N1C C5C C6C 61.9(5) . . . . ?
C1D' N1D C3D' C4D -47.6(7) . . . . ?
C1D' N1D C5D' C6D 173.1(6) . . . . ?
C1D' N1D C7D' C8D 52.8(9) . . . . ?
C3D' N1D C1D' C2D -73.9(6) . . . . ?
C3D' N1D C5D' C6D 55.4(7) . . . . ?
C3D' N1D C7D' C8D -178.6(6) . . . . ?
C5D' N1D C1D' C2D 173.1(5) . . . . ?
C5D' N1D C3D' C4D 64.0(7) . . . . ?
C5D' N1D C7D' C8D -64.0(8) . . . . ?
C7D' N1D C1D' C2D 53.3(8) . . . . ?
C7D' N1D C3D' C4D -179.2(6) . . . . ?
C7D' N1D C5D' C6D -61.4(8) . . . . ?
C1E N1E C3E C4E -57.2(4) . . . . ?
C1E N1E C5E C6E -176.6(3) . . . . ?
C1E N1E C7E C8E 58.4(3) . . . . ?
C3E N1E C1E C2E -60.5(4) . . . . ?
C3E N1E C5E C6E 62.9(4) . . . . ?
C3E N1E C7E C8E 179.2(3) . . . . ?
C5E N1E C1E C2E 178.6(3) . . . . ?
C5E N1E C3E C4E 60.7(4) . . . . ?
C5E N1E C7E C8E -59.4(3) . . . . ?
C7E N1E C1E C2E 58.2(4) . . . . ?
C7E N1E C3E C4E -178.1(3) . . . . ?
C7E N1E C5E C6E -56.1(4) . . . . ?
C7F' N1F C5F' C6F 72(3) . . . . ?
C7F' N1F C3F' C4F 89(3) . . . . ?
C7F' N1F C1F' C2F -175.8(19) . . . . ?
C5F' N1F C7F' C8F 26(3) . . . . ?
C5F' N1F C3F' C4F -152(3) . . . . ?
C5F' N1F C1F' C2F 74(2) . . . . ?
C3F' N1F C7F' C8F 152(2) . . . . ?
C3F' N1F C5F' C6F -46(3) . . . . ?
C3F' N1F C1F' C2F -66(2) . . . . ?
C1F' N1F C7F' C8F -89(2) . . . . ?
C1F' N1F C5F' C6F 174(3) . . . . ?
C1F' N1F C3F' C4F -14(4) . . . . ?
C1A C2A B1A B2A 2.4(3) . . . . ?
C1A C2A B1A B5A -100.5(3) . . . . ?
C1A C2A B1A B6A -59.7(3) . . . . ?
C1A C2A B4A B5A 136.4(3) . . . . ?
C1A C2A B4A B8A 33.2(3) . . . . ?
C1A C2A B4A B9A 95.4(3) . . . . ?
C1A C2A B5A B1A 104.2(3) . . . . ?
C1A C2A B5A B4A -39.9(3) . . . . ?
C1A C2A B5A B6A 64.5(3) . . . . ?
C1A C2A B5A B9A 1.0(3) . . . . ?
C1A B3A B7A B2A -104.6(3) . . . . ?
C1A B3A B7A B6A -64.3(3) . . . . ?
C1A B3A B7A B8A 39.3(3) . . . . ?
C1A B3A B7A B9A -0.8(3) . . . . ?
C1A B3A B8A B4A -33.2(3) . . . . ?
C1A B3A B8A B7A -136.8(3) . . . . ?
C1A B3A B8A B9A -96.1(3) . . . . ?
C1A B4A B5A C2A 34.8(3) . . . . ?
C1A B4A B5A B1A 2.9(4) . . . . ?
C1A B4A B5A B6A -61.0(3) . . . . ?
C1A B4A B5A B9A -98.3(3) . . . . ?
C1A B4A B8A B3A 30.8(3) . . . . ?
C1A B4A B8A B7A 93.9(3) . . . . ?
C1A B4A B8A B9A 131.7(2) . . . . ?
C1A B4A B9A B5A 96.8(2) . . . . ?
C1A B4A B9A B6A 60.2(3) . . . . ?
C1A B4A B9A B7A -3.4(3) . . . . ?
C1A B4A B9A B8A -40.8(2) . . . . ?
C1A B8A B9A B4A 41.5(3) . . . . ?
C1A B8A B9A B5A 4.1(4) . . . . ?
C1A B8A B9A B6A -59.5(4) . . . . ?
C1A B8A B9A B7A -96.4(3) . . . . ?
C2A C1A B3A B2A 4.5(4) . . . . ?
C2A C1A B3A B7A 69.4(3) . . . . ?
C2A C1A B3A B8A 108.3(3) . . . . ?
C2A C1A B4A B5A -37.7(3) . . . . ?
C2A C1A B4A B8A -141.2(3) . . . . ?
C2A C1A B4A B9A -99.5(3) . . . . ?
C2A C1A B8A B3A -103.5(3) . . . . ?
C2A C1A B8A B4A 38.4(3) . . . . ?
C2A C1A B8A B7A -65.9(4) . . . . ?
C2A C1A B8A B9A -3.7(4) . . . . ?
C2A B1A B2A B3A 0.2(3) . . . . ?
C2A B1A B2A B6A -102.1(2) . . . . ?
C2A B1A B2A B7A -62.4(3) . . . . ?
C2A B1A B5A B4A 32.3(3) . . . . ?
C2A B1A B5A B6A 134.5(3) . . . . ?
C2A B1A B5A B9A 96.3(3) . . . . ?
C2A B1A B6A B2A 96.0(3) . . . . ?
C2A B1A B6A B5A -40.5(2) . . . . ?
C2A B1A B6A B7A 57.3(3) . . . . ?
C2A B1A B6A B9A -4.1(3) . . . . ?
C2A B1A B6A B15A -152.4(3) . . . . ?
C2A B4A B5A B1A -31.9(3) . . . . ?
C2A B4A B5A B6A -95.9(3) . . . . ?
C2A B4A B5A B9A -133.2(3) . . . . ?
C2A B4A B8A C1A -31.4(2) . . . . ?
C2A B4A B8A B3A -0.6(3) . . . . ?
C2A B4A B8A B7A 62.5(3) . . . . ?
C2A B4A B8A B9A 100.3(2) . . . . ?
C2A B4A B9A B5A 40.9(2) . . . . ?
C2A B4A B9A B6A 4.3(3) . . . . ?
C2A B4A B9A B7A -59.3(3) . . . . ?
C2A B4A B9A B8A -96.7(3) . . . . ?
C2A B5A B6A B1A 38.9(2) . . . . ?
C2A B5A B6A B2A 0.1(3) . . . . ?
C2A B5A B6A B7A -61.5(3) . . . . ?
C2A B5A B6A B9A -99.2(2) . . . . ?
C2A B5A B6A B15A 150.0(2) . . . . ?
C2A B5A B9A B4A -40.5(2) . . . . ?
C2A B5A B9A B6A 98.8(2) . . . . ?
C2A B5A B9A B7A 59.8(3) . . . . ?
C2A B5A B9A B8A -3.2(3) . . . . ?
C3A C4A' B10A B11A -108.0(6) . . . . ?
C3A C4A' B10A B14A -3.6(6) . . . . ?
C3A C4A' B10A B15A -66.7(6) . . . . ?
C3A C4A' B11A B10A 108.1(7) . . . . ?
C3A C4A' B11A B12A -37.9(5) . . . . ?
C3A C4A' B11A B15A 66.5(7) . . . . ?
C3A C4A' B11A B16A 4.3(7) . . . . ?
C3A C4A' B12A B11A 142.5(4) . . . . ?
C3A C4A' B12A B16A 98.1(4) . . . . ?
C3A C4A' B12A B17A 34.1(4) . . . . ?
C3A B12A B16A B11A 105.7(4) . . . . ?
C3A B12A B16A B15A 67.7(3) . . . . ?
C3A B12A B16A B17A -37.0(3) . . . . ?
C3A B12A B16A B18A 4.2(4) . . . . ?
C3A B12A B17A B13A 34.8(3) . . . . ?
C3A B12A B17A B16A 137.7(3) . . . . ?
C3A B12A B17A B18A 96.5(3) . . . . ?
C3A B13A B14A B10A -2.5(3) . . . . ?
C3A B13A B14A B15A 60.3(3) . . . . ?
C3A B13A B14A B18A 97.6(3) . . . . ?
C3A B13A B14A C4A -39.1(3) . . . . ?
C3A B13A B17A B12A -33.6(3) . . . . ?
C3A B13A B17A B16A -95.9(3) . . . . ?
C3A B13A B17A B18A -131.8(3) . . . . ?
C3A B13A B18A B14A -97.8(3) . . . . ?
C3A B13A B18A B15A -60.5(3) . . . . ?
C3A B13A B18A B16A 3.2(3) . . . . ?
C3A B13A B18A B17A 40.2(3) . . . . ?
C3A B13A C4A B10A 95.9(4) . . . . ?
C3A B13A C4A B14A 133.0(3) . . . . ?
C3A B17A B18A B13A -40.8(3) . . . . ?
C3A B17A B18A B14A -3.3(3) . . . . ?
C3A B17A B18A B15A 60.9(3) . . . . ?
C3A B17A B18A B16A 98.9(3) . . . . ?
C4A' C3A B12A B11A -35.9(4) . . . . ?
C4A' C3A B12A B16A -103.0(5) . . . . ?
C4A' C3A B12A B17A -140.9(4) . . . . ?
C4A' C3A B13A B14A 0.3(5) . . . . ?
C4A' C3A B13A B17A 104.4(5) . . . . ?
C4A' C3A B13A B18A 62.8(5) . . . . ?
C4A' C3A B17A B12A 34.9(5) . . . . ?
C4A' C3A B17A B13A -104.7(5) . . . . ?
C4A' C3A B17A B16A -2.0(6) . . . . ?
C4A' C3A B17A B18A -63.4(5) . . . . ?
C4A' B10A B11A B12A 28.1(4) . . . . ?
C4A' B10A B11A B15A 131.6(4) . . . . ?
C4A' B10A B11A B16A 93.7(4) . . . . ?
C4A' B10A B14A B13A 3.5(4) . . . . ?
C4A' B10A B14A B15A -97.7(4) . . . . ?
C4A' B10A B14A B18A -59.1(4) . . . . ?
C4A' B10A B15A B6A -153.3(4) . . . . ?
C4A' B10A B15A B11A -39.8(4) . . . . ?
C4A' B10A B15A B14A 96.0(4) . . . . ?
C4A' B10A B15A B16A -2.2(4) . . . . ?
C4A' B10A B15A B18A 59.0(4) . . . . ?
C4A' B11A B12A C3A 33.4(4) . . . . ?
C4A' B11A B12A B16A 132.4(5) . . . . ?
C4A' B11A B12A B17A 97.3(5) . . . . ?
C4A' B11A B15A B6A 152.3(4) . . . . ?
C4A' B11A B15A B10A 40.7(4) . . . . ?
C4A' B11A B15A B14A 2.2(4) . . . . ?
C4A' B11A B15A B16A -97.2(4) . . . . ?
C4A' B11A B15A B18A -58.8(4) . . . . ?
C4A' B11A B16A B12A -37.9(4) . . . . ?
C4A' B11A B16A B15A 97.9(4) . . . . ?
C4A' B11A B16A B17A -5.1(4) . . . . ?
C4A' B11A B16A B18A 57.2(4) . . . . ?
C4A' B12A B16A B11A 44.9(5) . . . . ?
C4A' B12A B16A B15A 6.9(5) . . . . ?
C4A' B12A B16A B17A -97.8(5) . . . . ?
C4A' B12A B16A B18A -56.7(5) . . . . ?
C4A' B12A B17A C3A -33.6(4) . . . . ?
C4A' B12A B17A B13A 1.2(5) . . . . ?
C4A' B12A B17A B16A 104.1(4) . . . . ?
C4A' B12A B17A B18A 62.9(4) . . . . ?
B1A C2A B4A C1A -102.6(4) . . . . ?
B1A C2A B4A B5A 33.8(3) . . . . ?
B1A C2A B4A B8A -69.4(3) . . . . ?
B1A C2A B4A B9A -7.2(4) . . . . ?
B1A C2A B5A B4A -144.1(3) . . . . ?
B1A C2A B5A B6A -39.7(2) . . . . ?
B1A C2A B5A B9A -103.1(2) . . . . ?
B1A B2A B3A C1A -2.7(3) . . . . ?
B1A B2A B3A B7A -102.6(2) . . . . ?
B1A B2A B3A B8A -69.1(4) . . . . ?
B1A B2A B6A B5A 38.0(2) . . . . ?
B1A B2A B6A B7A 135.6(3) . . . . ?
B1A B2A B6A B9A 99.5(2) . . . . ?
B1A B2A B6A B15A -112.2(3) . . . . ?
B1A B2A B7A B3A 94.8(3) . . . . ?
B1A B2A B7A B6A -39.1(2) . . . . ?
B1A B2A B7A B8A 62.3(3) . . . . ?
B1A B2A B7A B9A -1.3(4) . . . . ?
B1A B5A B6A B2A -38.8(2) . . . . ?
B1A B5A B6A B7A -100.4(2) . . . . ?
B1A B5A B6A B9A -138.1(2) . . . . ?
B1A B5A B6A B15A 111.1(3) . . . . ?
B1A B5A B9A B4A -101.6(3) . . . . ?
B1A B5A B9A B6A 37.7(2) . . . . ?
B1A B5A B9A B7A -1.3(3) . . . . ?
B1A B5A B9A B8A -64.3(3) . . . . ?
B1A B6A B7A B2A 39.5(2) . . . . ?
B1A B6A B7A B3A -0.2(3) . . . . ?
B1A B6A B7A B8A -62.2(3) . . . . ?
B1A B6A B7A B9A -99.2(2) . . . . ?
B1A B6A B9A B4A -0.2(3) . . . . ?
B1A B6A B9A B5A -36.6(2) . . . . ?
B1A B6A B9A B7A 99.7(2) . . . . ?
B1A B6A B9A B8A 62.8(3) . . . . ?
B1A B6A B15A B10A -140.6(3) . . . . ?
B1A B6A B15A B11A 145.2(2) . . . . ?
B1A B6A B15A B14A -69.2(3) . . . . ?
B1A B6A B15A B16A 72.2(3) . . . . ?
B1A B6A B15A B18A 1.6(4) . . . . ?
B2A B1A B5A C2A -95.9(3) . . . . ?
B2A B1A B5A B4A -63.6(3) . . . . ?
B2A B1A B5A B6A 38.6(2) . . . . ?
B2A B1A B5A B9A 0.4(3) . . . . ?
B2A B1A B6A B5A -136.6(2) . . . . ?
B2A B1A B6A B7A -38.7(2) . . . . ?
B2A B1A B6A B9A -100.2(2) . . . . ?
B2A B1A B6A B15A 111.6(3) . . . . ?
B2A B3A B7A B6A 40.3(2) . . . . ?
B2A B3A B7A B8A 143.8(3) . . . . ?
B2A B3A B7A B9A 103.8(2) . . . . ?
B2A B3A B8A C1A 103.2(3) . . . . ?
B2A B3A B8A B4A 70.0(4) . . . . ?
B2A B3A B8A B7A -33.6(3) . . . . ?
B2A B3A B8A B9A 7.1(5) . . . . ?
B2A B6A B7A B3A -39.7(3) . . . . ?
B2A B6A B7A B8A -101.8(3) . . . . ?
B2A B6A B7A B9A -138.7(3) . . . . ?
B2A B6A B9A B4A -63.7(3) . . . . ?
B2A B6A B9A B5A -100.1(2) . . . . ?
B2A B6A B9A B7A 36.2(2) . . . . ?
B2A B6A B9A B8A -0.7(4) . . . . ?
B2A B6A B15A B10A -67.0(3) . . . . ?
B2A B6A B15A B11A -141.2(3) . . . . ?
B2A B6A B15A B14A 4.3(4) . . . . ?
B2A B6A B15A B16A 145.8(2) . . . . ?
B2A B6A B15A B18A 75.1(3) . . . . ?
B2A B7A B8A C1A -2.1(3) . . . . ?
B2A B7A B8A B3A 32.3(3) . . . . ?
B2A B7A B8A B4A -63.6(3) . . . . ?
B2A B7A B8A B9A -101.6(3) . . . . ?
B2A B7A B9A B4A 64.4(3) . . . . ?
B2A B7A B9A B5A 1.6(3) . . . . ?
B2A B7A B9A B6A -37.3(2) . . . . ?
B2A B7A B9A B8A 101.6(3) . . . . ?
B3A C1A C2A B1A -4.4(4) . . . . ?
B3A C1A C2A B4A -109.3(3) . . . . ?
B3A C1A C2A B5A -69.9(3) . . . . ?
B3A C1A B4A C2A 102.7(3) . . . . ?
B3A C1A B4A B5A 65.1(4) . . . . ?
B3A C1A B4A B8A -38.5(3) . . . . ?
B3A C1A B4A B9A 3.2(4) . . . . ?
B3A C1A B8A B4A 141.9(3) . . . . ?
B3A C1A B8A B7A 37.6(3) . . . . ?
B3A C1A B8A B9A 99.8(3) . . . . ?
B3A B2A B6A B1A -94.6(3) . . . . ?
B3A B2A B6A B5A -56.6(3) . . . . ?
B3A B2A B6A B7A 40.9(3) . . . . ?
B3A B2A B6A B9A 4.9(3) . . . . ?
B3A B2A B6A B15A 153.1(3) . . . . ?
B3A B2A B7A B6A -133.9(3) . . . . ?
B3A B2A B7A B8A -32.5(3) . . . . ?
B3A B2A B7A B9A -96.1(3) . . . . ?
B3A B7A B8A C1A -34.4(3) . . . . ?
B3A B7A B8A B4A -96.0(3) . . . . ?
B3A B7A B8A B9A -133.9(3) . . . . ?
B3A B7A B9A B4A 2.7(3) . . . . ?
B3A B7A B9A B5A -60.1(3) . . . . ?
B3A B7A B9A B6A -99.1(2) . . . . ?
B3A B7A B9A B8A 39.8(2) . . . . ?
B3A B8A B9A B4A 97.3(3) . . . . ?
B3A B8A B9A B5A 59.8(4) . . . . ?
B3A B8A B9A B6A -3.7(4) . . . . ?
B3A B8A B9A B7A -40.7(3) . . . . ?
B4A C1A C2A B1A 104.8(3) . . . . ?
B4A C1A C2A B5A 39.4(3) . . . . ?
B4A C1A B3A B2A -66.4(4) . . . . ?
B4A C1A B3A B7A -1.6(4) . . . . ?
B4A C1A B3A B8A 37.4(3) . . . . ?
B4A C1A B8A B3A -141.9(3) . . . . ?
B4A C1A B8A B7A -104.3(3) . . . . ?
B4A C1A B8A B9A -42.1(3) . . . . ?
B4A C2A B1A B2A 69.4(3) . . . . ?
B4A C2A B1A B5A -33.6(3) . . . . ?
B4A C2A B1A B6A 7.2(4) . . . . ?
B4A C2A B5A B1A 144.1(3) . . . . ?
B4A C2A B5A B6A 104.4(3) . . . . ?
B4A C2A B5A B9A 40.9(3) . . . . ?
B4A B5A B6A B1A 101.2(2) . . . . ?
B4A B5A B6A B2A 62.4(3) . . . . ?
B4A B5A B6A B7A 0.8(3) . . . . ?
B4A B5A B6A B9A -36.9(2) . . . . ?
B4A B5A B6A B15A -147.7(2) . . . . ?
B4A B5A B9A B6A 139.3(2) . . . . ?
B4A B5A B9A B7A 100.4(3) . . . . ?
B4A B5A B9A B8A 37.4(3) . . . . ?
B4A B8A B9A B5A -37.5(2) . . . . ?
B4A B8A B9A B6A -101.0(3) . . . . ?
B4A B8A B9A B7A -138.0(2) . . . . ?
B5A C2A B1A B2A 103.0(2) . . . . ?
B5A C2A B1A B6A 40.8(2) . . . . ?
B5A C2A B4A C1A -136.4(3) . . . . ?
B5A C2A B4A B8A -103.2(3) . . . . ?
B5A C2A B4A B9A -41.0(2) . . . . ?
B5A B1A B2A B3A 63.1(3) . . . . ?
B5A B1A B2A B6A -39.2(2) . . . . ?
B5A B1A B2A B7A 0.5(3) . . . . ?
B5A B1A B6A B2A 136.6(2) . . . . ?
B5A B1A B6A B7A 97.9(2) . . . . ?
B5A B1A B6A B9A 36.4(2) . . . . ?
B5A B1A B6A B15A -111.8(3) . . . . ?
B5A B4A B8A C1A -93.8(3) . . . . ?
B5A B4A B8A B3A -63.0(3) . . . . ?
B5A B4A B8A B7A 0.1(3) . . . . ?
B5A B4A B8A B9A 37.9(2) . . . . ?
B5A B4A B9A B6A -36.6(2) . . . . ?
B5A B4A B9A B7A -100.2(2) . . . . ?
B5A B4A B9A B8A -137.6(2) . . . . ?
B5A B6A B7A B2A 101.0(2) . . . . ?
B5A B6A B7A B3A 61.3(3) . . . . ?
B5A B6A B7A B8A -0.7(3) . . . . ?
B5A B6A B7A B9A -37.7(2) . . . . ?
B5A B6A B9A B4A 36.4(2) . . . . ?
B5A B6A B9A B7A 136.3(2) . . . . ?
B5A B6A B9A B8A 99.4(3) . . . . ?
B5A B6A B15A B10A 147.5(2) . . . . ?
B5A B6A B15A B11A 73.4(3) . . . . ?
B5A B6A B15A B14A -141.1(2) . . . . ?
B5A B6A B15A B16A 0.3(3) . . . . ?
B5A B6A B15A B18A -70.3(3) . . . . ?
B6A B1A B2A B3A 102.3(2) . . . . ?
B6A B1A B2A B7A 39.7(2) . . . . ?
B6A B1A B5A C2A -134.5(3) . . . . ?
B6A B1A B5A B4A -102.2(3) . . . . ?
B6A B1A B5A B9A -38.2(2) . . . . ?
B6A B2A B3A C1A 58.8(3) . . . . ?
B6A B2A B3A B7A -41.1(2) . . . . ?
B6A B2A B3A B8A -7.6(4) . . . . ?
B6A B2A B7A B3A 133.9(3) . . . . ?
B6A B2A B7A B8A 101.4(3) . . . . ?
B6A B2A B7A B9A 37.7(2) . . . . ?
B6A B5A B9A B4A -139.3(2) . . . . ?
B6A B5A B9A B7A -38.9(2) . . . . ?
B6A B5A B9A B8A -101.9(3) . . . . ?
B6A B7A B8A C1A 62.0(3) . . . . ?
B6A B7A B8A B3A 96.4(3) . . . . ?
B6A B7A B8A B4A 0.4(3) . . . . ?
B6A B7A B8A B9A -37.5(2) . . . . ?
B6A B7A B9A B4A 101.8(2) . . . . ?
B6A B7A B9A B5A 38.9(2) . . . . ?
B6A B7A B9A B8A 138.9(3) . . . . ?
B6A B15A B16A B11A 113.5(3) . . . . ?
B6A B15A B16A B12A 149.0(3) . . . . ?
B6A B15A B16A B17A -149.4(2) . . . . ?
B6A B15A B16A B18A -111.4(3) . . . . ?
B6A B15A B18A B13A -147.5(3) . . . . ?
B6A B15A B18A B14A -110.5(3) . . . . ?
B6A B15A B18A B16A 110.2(3) . . . . ?
B6A B15A B18A B17A 148.7(2) . . . . ?
B7A B2A B3A C1A 99.9(3) . . . . ?
B7A B2A B3A B8A 33.5(3) . . . . ?
B7A B2A B6A B1A -135.6(3) . . . . ?
B7A B2A B6A B5A -97.6(2) . . . . ?
B7A B2A B6A B9A -36.0(3) . . . . ?
B7A B2A B6A B15A 112.2(3) . . . . ?
B7A B3A B8A C1A 136.8(3) . . . . ?
B7A B3A B8A B4A 103.6(3) . . . . ?
B7A B3A B8A B9A 40.7(3) . . . . ?
B7A B6A B9A B4A -99.9(3) . . . . ?
B7A B6A B9A B5A -136.3(2) . . . . ?
B7A B6A B9A B8A -36.9(3) . . . . ?
B7A B6A B15A B10A 4.7(4) . . . . ?
B7A B6A B15A B11A -69.4(3) . . . . ?
B7A B6A B15A B14A 76.1(3) . . . . ?
B7A B6A B15A B16A -142.5(2) . . . . ?
B7A B6A B15A B18A 146.9(2) . . . . ?
B7A B8A B9A B4A 138.0(2) . . . . ?
B7A B8A B9A B5A 100.5(2) . . . . ?
B7A B8A B9A B6A 37.0(2) . . . . ?
B8A C1A C2A B1A 67.2(4) . . . . ?
B8A C1A C2A B4A -37.6(3) . . . . ?
B8A C1A C2A B5A 1.7(4) . . . . ?
B8A C1A B3A B2A -103.7(3) . . . . ?
B8A C1A B3A B7A -38.9(2) . . . . ?
B8A C1A B4A C2A 141.2(3) . . . . ?
B8A C1A B4A B5A 103.5(3) . . . . ?
B8A C1A B4A B9A 41.7(2) . . . . ?
B8A B3A B7A B2A -143.8(3) . . . . ?
B8A B3A B7A B6A -103.5(3) . . . . ?
B8A B3A B7A B9A -40.1(2) . . . . ?
B8A B4A B5A C2A 95.3(3) . . . . ?
B8A B4A B5A B1A 63.4(3) . . . . ?
B8A B4A B5A B6A -0.6(3) . . . . ?
B8A B4A B5A B9A -37.9(2) . . . . ?
B8A B4A B9A B5A 137.6(2) . . . . ?
B8A B4A B9A B6A 101.0(3) . . . . ?
B8A B4A B9A B7A 37.4(2) . . . . ?
B8A B7A B9A B4A -37.1(2) . . . . ?
B8A B7A B9A B5A -99.9(3) . . . . ?
B8A B7A B9A B6A -138.9(3) . . . . ?
B9A B4A B5A C2A 133.2(3) . . . . ?
B9A B4A B5A B1A 101.3(3) . . . . ?
B9A B4A B5A B6A 37.3(2) . . . . ?
B9A B4A B8A C1A -131.7(2) . . . . ?
B9A B4A B8A B3A -100.9(3) . . . . ?
B9A B4A B8A B7A -37.8(2) . . . . ?
B9A B5A B6A B1A 138.1(2) . . . . ?
B9A B5A B6A B2A 99.3(2) . . . . ?
B9A B5A B6A B7A 37.7(2) . . . . ?
B9A B5A B6A B15A -110.8(3) . . . . ?
B9A B6A B7A B2A 138.7(3) . . . . ?
B9A B6A B7A B3A 99.0(3) . . . . ?
B9A B6A B7A B8A 36.9(2) . . . . ?
B9A B6A B15A B10A 76.2(3) . . . . ?
B9A B6A B15A B11A 2.1(4) . . . . ?
B9A B6A B15A B14A 147.6(3) . . . . ?
B9A B6A B15A B16A -71.0(3) . . . . ?
B9A B6A B15A B18A -141.6(3) . . . . ?
B9A B7A B8A C1A 99.5(3) . . . . ?
B9A B7A B8A B3A 133.9(3) . . . . ?
B9A B7A B8A B4A 37.9(2) . . . . ?
B10A C4A' B11A B12A -146.0(5) . . . . ?
B10A C4A' B11A B15A -41.6(3) . . . . ?
B10A C4A' B11A B16A -103.8(3) . . . . ?
B10A C4A' B12A C3A -107.7(7) . . . . ?
B10A C4A' B12A B11A 34.9(5) . . . . ?
B10A C4A' B12A B16A -9.6(8) . . . . ?
B10A C4A' B12A B17A -73.6(7) . . . . ?
B10A B11A B12A C3A 3.9(4) . . . . ?
B10A B11A B12A C4A' -29.5(4) . . . . ?
B10A B11A B12A B16A 102.8(3) . . . . ?
B10A B11A B12A B17A 67.7(4) . . . . ?
B10A B11A B15A B6A 111.6(3) . . . . ?
B10A B11A B15A B14A -38.5(2) . . . . ?
B10A B11A B15A B16A -137.9(3) . . . . ?
B10A B11A B15A B18A -99.5(2) . . . . ?
B10A B11A B16A B12A -98.2(3) . . . . ?
B10A B11A B16A B15A 37.6(2) . . . . ?
B10A B11A B16A B17A -65.4(3) . . . . ?
B10A B11A B16A B18A -3.1(3) . . . . ?
B10A B14A B15A B6A -111.5(3) . . . . ?
B10A B14A B15A B11A 39.2(2) . . . . ?
B10A B14A B15A B16A 101.9(3) . . . . ?
B10A B14A B15A B18A 137.2(3) . . . . ?
B10A B14A B18A B13A 101.0(3) . . . . ?
B10A B14A B18A B15A -37.8(2) . . . . ?
B10A B14A B18A B16A -1.3(3) . . . . ?
B10A B14A B18A B17A 63.4(3) . . . . ?
B10A B14A C4A C3A -98.6(3) . . . . ?
B10A B14A C4A B13A -139.1(3) . . . . ?
B10A B15A B16A B11A -37.8(2) . . . . ?
B10A B15A B16A B12A -2.4(3) . . . . ?
B10A B15A B16A B17A 59.3(3) . . . . ?
B10A B15A B16A B18A 97.3(2) . . . . ?
B10A B15A B18A B13A 0.2(3) . . . . ?
B10A B15A B18A B14A 37.2(2) . . . . ?
B10A B15A B18A B16A -102.1(2) . . . . ?
B10A B15A B18A B17A -63.6(3) . . . . ?
B11A C4A' B10A B14A 104.3(3) . . . . ?
B11A C4A' B10A B15A 41.3(3) . . . . ?
B11A C4A' B12A C3A -142.5(4) . . . . ?
B11A C4A' B12A B16A -44.4(4) . . . . ?
B11A C4A' B12A B17A -108.5(4) . . . . ?
B11A B10A B14A B13A 62.0(3) . . . . ?
B11A B10A B14A B15A -39.2(2) . . . . ?
B11A B10A B14A B18A -0.7(3) . . . . ?
B11A B10A B14A C4A 98.5(3) . . . . ?
B11A B10A B15A B6A -113.5(3) . . . . ?
B11A B10A B15A B14A 135.8(3) . . . . ?
B11A B10A B15A B16A 37.6(2) . . . . ?
B11A B10A B15A B18A 98.8(2) . . . . ?
B11A B10A C4A C3A -2.6(4) . . . . ?
B11A B10A C4A B13A -64.5(4) . . . . ?
B11A B10A C4A B14A -101.6(3) . . . . ?
B11A B12A B16A B15A -38.0(3) . . . . ?
B11A B12A B16A B17A -142.7(3) . . . . ?
B11A B12A B16A B18A -101.5(3) . . . . ?
B11A B12A B17A C3A -101.6(4) . . . . ?
B11A B12A B17A B13A -66.8(4) . . . . ?
B11A B12A B17A B16A 36.0(3) . . . . ?
B11A B12A B17A B18A -5.1(4) . . . . ?
B11A B15A B16A B12A 35.4(3) . . . . ?
B11A B15A B16A B17A 97.1(3) . . . . ?
B11A B15A B16A B18A 135.1(2) . . . . ?
B11A B15A B18A B13A 63.1(3) . . . . ?
B11A B15A B18A B14A 100.1(2) . . . . ?
B11A B15A B18A B16A -39.2(2) . . . . ?
B11A B15A B18A B17A -0.7(3) . . . . ?
B11A B16A B17A C3A 4.4(3) . . . . ?
B11A B16A B17A B12A -30.7(3) . . . . ?
B11A B16A B17A B13A 65.5(3) . . . . ?
B11A B16A B17A B18A 101.5(2) . . . . ?
B11A B16A B18A B13A -61.2(3) . . . . ?
B11A B16A B18A B14A 2.7(3) . . . . ?
B11A B16A B18A B15A 39.6(2) . . . . ?
B11A B16A B18A B17A -97.8(3) . . . . ?
B12A C3A C4A' B10A 109.9(6) . . . . ?
B12A C3A C4A' B11A 36.6(5) . . . . ?
B12A C3A B13A B14A -63.0(4) . . . . ?
B12A C3A B13A B17A 41.1(3) . . . . ?
B12A C3A B13A B18A -0.5(4) . . . . ?
B12A C3A B13A C4A -103.5(4) . . . . ?
B12A C3A B17A B13A -139.6(3) . . . . ?
B12A C3A B17A B16A -36.9(3) . . . . ?
B12A C3A B17A B18A -98.3(3) . . . . ?
B12A C3A C4A B10A 5.2(4) . . . . ?
B12A C3A C4A B13A 109.0(3) . . . . ?
B12A C3A C4A B14A 67.9(4) . . . . ?
B12A C4A' B10A B11A -33.8(5) . . . . ?
B12A C4A' B10A B14A 70.5(7) . . . . ?
B12A C4A' B10A B15A 7.5(7) . . . . ?
B12A C4A' B11A B10A 146.0(5) . . . . ?
B12A C4A' B11A B15A 104.4(4) . . . . ?
B12A C4A' B11A B16A 42.2(4) . . . . ?
B12A B11A B15A B6A -151.4(3) . . . . ?
B12A B11A B15A B10A 97.0(3) . . . . ?
B12A B11A B15A B14A 58.5(3) . . . . ?
B12A B11A B15A B16A -41.0(3) . . . . ?
B12A B11A B15A B18A -2.5(3) . . . . ?
B12A B11A B16A B15A 135.7(3) . . . . ?
B12A B11A B16A B17A 32.8(3) . . . . ?
B12A B11A B16A B18A 95.1(3) . . . . ?
B12A B16A B17A C3A 35.1(3) . . . . ?
B12A B16A B17A B13A 96.2(3) . . . . ?
B12A B16A B17A B18A 132.2(3) . . . . ?
B12A B16A B18A B13A -4.6(3) . . . . ?
B12A B16A B18A B14A 59.3(3) . . . . ?
B12A B16A B18A B15A 96.2(3) . . . . ?
B12A B16A B18A B17A -41.2(3) . . . . ?
B12A B17A B18A B13A -98.4(3) . . . . ?
B12A B17A B18A B14A -60.9(3) . . . . ?
B12A B17A B18A B15A 3.3(3) . . . . ?
B12A B17A B18A B16A 41.3(3) . . . . ?
B13A C3A C4A' B10A 2.2(7) . . . . ?
B13A C3A C4A' B11A -71.1(7) . . . . ?
B13A C3A C4A' B12A -107.7(4) . . . . ?
B13A C3A B12A C4A' 100.6(5) . . . . ?
B13A C3A B12A B11A 64.7(4) . . . . ?
B13A C3A B12A B16A -2.4(5) . . . . ?
B13A C3A B12A B17A -40.3(3) . . . . ?
B13A C3A B17A B12A 139.6(3) . . . . ?
B13A C3A B17A B16A 102.7(3) . . . . ?
B13A C3A B17A B18A 41.3(3) . . . . ?
B13A C3A C4A B10A -103.8(3) . . . . ?
B13A C3A C4A B14A -41.1(3) . . . . ?
B13A B14A B15A B6A 148.0(3) . . . . ?
B13A B14A B15A B10A -100.5(3) . . . . ?
B13A B14A B15A B11A -61.3(3) . . . . ?
B13A B14A B15A B16A 1.4(3) . . . . ?
B13A B14A B15A B18A 36.7(2) . . . . ?
B13A B14A B18A B15A -138.8(3) . . . . ?
B13A B14A B18A B16A -102.3(3) . . . . ?
B13A B14A B18A B17A -37.6(3) . . . . ?
B13A B14A C4A C3A 40.5(3) . . . . ?
B13A B14A C4A B10A 139.1(3) . . . . ?
B13A B17A B18A B14A 37.5(2) . . . . ?
B13A B17A B18A B15A 101.6(3) . . . . ?
B13A B17A B18A B16A 139.7(3) . . . . ?
B14A B10A B11A C4A' -91.4(4) . . . . ?
B14A B10A B11A B12A -63.3(3) . . . . ?
B14A B10A B11A B15A 40.2(2) . . . . ?
B14A B10A B11A B16A 2.3(4) . . . . ?
B14A B10A B15A B6A 110.7(3) . . . . ?
B14A B10A B15A B11A -135.8(3) . . . . ?
B14A B10A B15A B16A -98.2(2) . . . . ?
B14A B10A B15A B18A -37.0(2) . . . . ?
B14A B10A C4A C3A 99.0(3) . . . . ?
B14A B10A C4A B13A 37.0(3) . . . . ?
B14A B13A B17A C3A 93.8(3) . . . . ?
B14A B13A B17A B12A 60.2(3) . . . . ?
B14A B13A B17A B16A -2.1(4) . . . . ?
B14A B13A B17A B18A -38.0(2) . . . . ?
B14A B13A B18A B15A 37.3(2) . . . . ?
B14A B13A B18A B16A 101.0(2) . . . . ?
B14A B13A B18A B17A 138.0(3) . . . . ?
B14A B13A C4A C3A -133.0(3) . . . . ?
B14A B13A C4A B10A -37.1(3) . . . . ?
B14A B15A B16A B11A -99.8(2) . . . . ?
B14A B15A B16A B12A -64.3(3) . . . . ?
B14A B15A B16A B17A -2.7(3) . . . . ?
B14A B15A B16A B18A 35.3(2) . . . . ?
B14A B15A B18A B13A -37.0(3) . . . . ?
B14A B15A B18A B16A -139.3(2) . . . . ?
B14A B15A B18A B17A -100.8(3) . . . . ?
B15A B6A B7A B2A -110.6(3) . . . . ?
B15A B6A B7A B3A -150.3(3) . . . . ?
B15A B6A B7A B8A 147.7(3) . . . . ?
B15A B6A B7A B9A 110.7(3) . . . . ?
B15A B6A B9A B4A 148.1(2) . . . . ?
B15A B6A B9A B5A 111.7(3) . . . . ?
B15A B6A B9A B7A -112.0(3) . . . . ?
B15A B6A B9A B8A -148.9(3) . . . . ?
B15A B10A B11A C4A' -131.6(4) . . . . ?
B15A B10A B11A B12A -103.5(3) . . . . ?
B15A B10A B11A B16A -37.8(2) . . . . ?
B15A B10A B14A B13A 101.2(3) . . . . ?
B15A B10A B14A B18A 38.5(2) . . . . ?
B15A B10A B14A C4A 137.7(3) . . . . ?
B15A B10A C4A C3A 60.2(4) . . . . ?
B15A B10A C4A B13A -1.8(4) . . . . ?
B15A B10A C4A B14A -38.8(3) . . . . ?
B15A B11A B12A C3A -59.0(4) . . . . ?
B15A B11A B12A C4A' -92.4(4) . . . . ?
B15A B11A B12A B16A 40.0(3) . . . . ?
B15A B11A B12A B17A 4.9(4) . . . . ?
B15A B11A B16A B12A -135.7(3) . . . . ?
B15A B11A B16A B17A -102.9(3) . . . . ?
B15A B11A B16A B18A -40.6(2) . . . . ?
B15A B14A B18A B13A 138.8(3) . . . . ?
B15A B14A B18A B16A 36.6(2) . . . . ?
B15A B14A B18A B17A 101.2(3) . . . . ?
B15A B14A C4A C3A -61.3(4) . . . . ?
B15A B14A C4A B10A 37.3(2) . . . . ?
B15A B14A C4A B13A -101.8(3) . . . . ?
B15A B16A B17A C3A -58.1(3) . . . . ?
B15A B16A B17A B12A -93.2(3) . . . . ?
B15A B16A B17A B13A 3.0(3) . . . . ?
B15A B16A B17A B18A 39.0(2) . . . . ?
B15A B16A B18A B13A -100.8(2) . . . . ?
B15A B16A B18A B14A -36.9(2) . . . . ?
B15A B16A B18A B17A -137.4(2) . . . . ?
B16A B11A B12A C3A -99.0(4) . . . . ?
B16A B11A B12A C4A' -132.4(5) . . . . ?
B16A B11A B12A B17A -35.1(3) . . . . ?
B16A B11A B15A B6A -110.5(3) . . . . ?
B16A B11A B15A B10A 137.9(3) . . . . ?
B16A B11A B15A B14A 99.5(2) . . . . ?
B16A B11A B15A B18A 38.5(2) . . . . ?
B16A B12A B17A C3A -137.7(3) . . . . ?
B16A B12A B17A B13A -102.9(3) . . . . ?
B16A B12A B17A B18A -41.1(2) . . . . ?
B16A B15A B18A B13A 102.3(3) . . . . ?
B16A B15A B18A B14A 139.3(2) . . . . ?
B16A B15A B18A B17A 38.5(2) . . . . ?
B16A B17A B18A B13A -139.7(3) . . . . ?
B16A B17A B18A B14A -102.2(2) . . . . ?
B16A B17A B18A B15A -38.0(2) . . . . ?
B17A C3A C4A' B10A 71.7(7) . . . . ?
B17A C3A C4A' B11A -1.6(8) . . . . ?
B17A C3A C4A' B12A -38.2(4) . . . . ?
B17A C3A B12A C4A' 140.9(4) . . . . ?
B17A C3A B12A B11A 105.0(3) . . . . ?
B17A C3A B12A B16A 37.9(3) . . . . ?
B17A C3A B13A B14A -104.0(3) . . . . ?
B17A C3A B13A B18A -41.5(2) . . . . ?
B17A C3A B13A C4A -144.6(3) . . . . ?
B17A C3A C4A B10A -68.0(4) . . . . ?
B17A C3A C4A B13A 35.9(3) . . . . ?
B17A C3A C4A B14A -5.3(5) . . . . ?
B17A B12A B16A B11A 142.7(3) . . . . ?
B17A B12A B16A B15A 104.7(3) . . . . ?
B17A B12A B16A B18A 41.2(2) . . . . ?
B17A B13A B14A B10A -62.4(3) . . . . ?
B17A B13A B14A B15A 0.4(4) . . . . ?
B17A B13A B14A B18A 37.8(3) . . . . ?
B17A B13A B14A C4A -98.9(3) . . . . ?
B17A B13A B18A B14A -138.0(3) . . . . ?
B17A B13A B18A B15A -100.7(3) . . . . ?
B17A B13A B18A B16A -37.0(2) . . . . ?
B17A B13A C4A C3A -30.8(3) . . . . ?
B17A B13A C4A B10A 65.2(4) . . . . ?
B17A B13A C4A B14A 102.3(3) . . . . ?
B17A B16A B18A B13A 36.6(2) . . . . ?
B17A B16A B18A B14A 100.5(3) . . . . ?
B17A B16A B18A B15A 137.4(2) . . . . ?
B18A B13A B14A B10A -100.2(3) . . . . ?
B18A B13A B14A B15A -37.3(2) . . . . ?
B18A B13A B14A C4A -136.7(3) . . . . ?
B18A B13A B17A C3A 131.8(3) . . . . ?
B18A B13A B17A B12A 98.2(3) . . . . ?
B18A B13A B17A B16A 35.9(2) . . . . ?
B18A B13A C4A C3A -94.1(3) . . . . ?
B18A B13A C4A B10A 1.9(4) . . . . ?
B18A B13A C4A B14A 38.9(3) . . . . ?
B18A B14A B15A B6A 111.3(3) . . . . ?
B18A B14A B15A B10A -137.2(3) . . . . ?
B18A B14A B15A B11A -98.0(2) . . . . ?
B18A B14A B15A B16A -35.3(2) . . . . ?
B18A B14A C4A C3A 2.6(4) . . . . ?
B18A B14A C4A B10A 101.2(3) . . . . ?
B18A B14A C4A B13A -37.9(3) . . . . ?
B18A B15A B16A B11A -135.1(2) . . . . ?
B18A B15A B16A B12A -99.7(3) . . . . ?
B18A B15A B16A B17A -38.0(2) . . . . ?
B18A B16A B17A C3A -97.1(3) . . . . ?
B18A B16A B17A B12A -132.2(3) . . . . ?
B18A B16A B17A B13A -36.0(2) . . . . ?
C1B C1B' B1B B2B 96.7(5) . . . . ?
C1B C1B' B1B B5B -8.0(6) . . . . ?
C1B C1B' B1B B6B 54.9(6) . . . . ?
C1B C1B' B2B B1B -105.5(5) . . . . ?
C1B C1B' B2B B3B 38.5(4) . . . . ?
C1B C1B' B2B B6B -65.8(5) . . . . ?
C1B C1B' B2B B7B -2.6(5) . . . . ?
C1B C1B' B3B B2B -136.7(4) . . . . ?
C1B C1B' B3B B7B -93.8(4) . . . . ?
C1B C1B' B3B B8B -31.6(3) . . . . ?
C1B B3B B7B B2B -99.1(4) . . . . ?
C1B B3B B7B B6B -61.9(4) . . . . ?
C1B B3B B7B B8B 39.2(3) . . . . ?
C1B B3B B7B B9B 1.5(4) . . . . ?
C1B B3B B8B B4B -31.8(3) . . . . ?
C1B B3B B8B B7B -133.6(3) . . . . ?
C1B B3B B8B B9B -95.6(4) . . . . ?
C1B B4B B5B B1B 2.4(5) . . . . ?
C1B B4B B5B B6B -60.4(4) . . . . ?
C1B B4B B5B B9B -100.0(4) . . . . ?
C1B B4B B5B C2B 34.6(4) . . . . ?
C1B B4B B8B B3B 32.5(3) . . . . ?
C1B B4B B8B B7B 95.1(3) . . . . ?
C1B B4B B8B B9B 134.8(3) . . . . ?
C1B B4B B9B B5B 101.6(4) . . . . ?
C1B B4B B9B B6B 63.1(4) . . . . ?
C1B B4B B9B B7B -1.0(4) . . . . ?
C1B B4B B9B B8B -40.2(3) . . . . ?
C1B B4B C2B B1B -103.8(5) . . . . ?
C1B B4B C2B B5B -140.2(4) . . . . ?
C1B B8B B9B B4B 37.2(3) . . . . ?
C1B B8B B9B B5B 3.8(4) . . . . ?
C1B B8B B9B B6B -59.4(4) . . . . ?
C1B B8B B9B B7B -98.0(3) . . . . ?
C1B' C1B B3B B2B 39.6(4) . . . . ?
C1B' C1B B3B B7B 102.5(4) . . . . ?
C1B' C1B B3B B8B 142.8(4) . . . . ?
C1B' C1B B4B B5B -8.0(6) . . . . ?
C1B' C1B B4B B8B -112.8(5) . . . . ?
C1B' C1B B4B B9B -72.4(6) . . . . ?
C1B' C1B B8B B3B -39.7(5) . . . . ?
C1B' C1B B8B B4B 102.3(5) . . . . ?
C1B' C1B B8B B7B 0.4(6) . . . . ?
C1B' C1B B8B B9B 62.5(6) . . . . ?
C1B' B1B B2B B3B -31.2(4) . . . . ?
C1B' B1B B2B B6B -133.8(4) . . . . ?
C1B' B1B B2B B7B -94.1(4) . . . . ?
C1B' B1B B5B B4B 3.0(4) . . . . ?
C1B' B1B B5B B6B 105.3(3) . . . . ?
C1B' B1B B5B B9B 66.1(4) . . . . ?
C1B' B1B B6B B2B 43.3(3) . . . . ?
C1B' B1B B6B B5B -93.4(4) . . . . ?
C1B' B1B B6B B7B 5.2(4) . . . . ?
C1B' B1B B6B B9B -55.4(4) . . . . ?
C1B' B1B B6B B15B 154.3(3) . . . . ?
C1B' B2B B3B C1B -34.2(4) . . . . ?
C1B' B2B B3B B7B -132.2(4) . . . . ?
C1B' B2B B3B B8B -94.8(5) . . . . ?
C1B' B2B B6B B1B -38.4(3) . . . . ?
C1B' B2B B6B B5B -0.5(4) . . . . ?
C1B' B2B B6B B7B 97.7(3) . . . . ?
C1B' B2B B6B B9B 61.4(4) . . . . ?
C1B' B2B B6B B15B -150.7(3) . . . . ?
C1B' B2B B7B B3B 40.0(3) . . . . ?
C1B' B2B B7B B6B -98.0(3) . . . . ?
C1B' B2B B7B B8B 2.8(4) . . . . ?
C1B' B2B B7B B9B -60.1(4) . . . . ?
C1B' B3B B7B B2B -44.6(4) . . . . ?
C1B' B3B B7B B6B -7.4(4) . . . . ?
C1B' B3B B7B B8B 93.8(4) . . . . ?
C1B' B3B B7B B9B 56.1(4) . . . . ?
C1B' B3B B8B C1B 29.4(3) . . . . ?
C1B' B3B B8B B4B -2.4(4) . . . . ?
C1B' B3B B8B B7B -104.2(3) . . . . ?
C1B' B3B B8B B9B -66.2(4) . . . . ?
C3B C4B' B10B B11B 100.5(4) . . . . ?
C3B C4B' B10B B14B -4.1(5) . . . . ?
C3B C4B' B10B B15B 58.3(5) . . . . ?
C3B C4B' B11B B10B -106.9(5) . . . . ?
C3B C4B' B11B B12B 37.8(4) . . . . ?
C3B C4B' B11B B15B -65.8(4) . . . . ?
C3B C4B' B11B B16B -3.5(5) . . . . ?
C3B C4B' B12B B11B -139.2(4) . . . . ?
C3B C4B' B12B B16B -96.3(4) . . . . ?
C3B C4B' B12B B17B -33.6(4) . . . . ?
C3B B12B B16B B11B -95.9(4) . . . . ?
C3B B12B B16B B15B -58.3(4) . . . . ?
C3B B12B B16B B17B 40.9(3) . . . . ?
C3B B12B B16B B18B 5.2(4) . . . . ?
C3B B12B B17B B13B -30.3(3) . . . . ?
C3B B12B B17B B16B -132.1(3) . . . . ?
C3B B12B B17B B18B -95.1(4) . . . . ?
C3B B13B B14B B10B 5.9(4) . . . . ?
C3B B13B B14B B15B -56.8(5) . . . . ?
C3B B13B B14B B18B -96.5(4) . . . . ?
C3B B13B B14B C4B 36.8(5) . . . . ?
C3B B13B B17B B12B 31.8(3) . . . . ?
C3B B13B B17B B16B 94.7(4) . . . . ?
C3B B13B B17B B18B 135.3(4) . . . . ?
C3B B13B B18B B14B 103.0(4) . . . . ?
C3B B13B B18B B15B 64.1(4) . . . . ?
C3B B13B B18B B16B 1.1(4) . . . . ?
C3B B13B B18B B17B -38.4(3) . . . . ?
C3B B13B C4B B10B -102.0(6) . . . . ?
C3B B13B C4B B14B -137.5(4) . . . . ?
C3B B17B B18B B13B 36.6(3) . . . . ?
C3B B17B B18B B14B 3.0(4) . . . . ?
C3B B17B B18B B15B -60.6(4) . . . . ?
C3B B17B B18B B16B -98.4(4) . . . . ?
C4B' C3B B12B B11B 35.9(4) . . . . ?
C4B' C3B B12B B16B 98.3(4) . . . . ?
C4B' C3B B12B B17B 140.4(4) . . . . ?
C4B' C3B B13B B14B -9.0(6) . . . . ?
C4B' C3B B13B B17B -110.4(4) . . . . ?
C4B' C3B B13B B18B -72.2(5) . . . . ?
C4B' C3B B17B B12B -41.0(4) . . . . ?
C4B' C3B B17B B13B 103.0(5) . . . . ?
C4B' C3B B17B B16B 0.3(6) . . . . ?
C4B' C3B B17B B18B 63.4(5) . . . . ?
C4B' B10B B11B B12B -31.3(4) . . . . ?
C4B' B10B B11B B15B -132.1(4) . . . . ?
C4B' B10B B11B B16B -93.4(4) . . . . ?
C4B' B10B B14B B13B -1.4(4) . . . . ?
C4B' B10B B14B B15B 102.0(3) . . . . ?
C4B' B10B B14B B18B 63.1(3) . . . . ?
C4B' B10B B15B B6B 153.9(3) . . . . ?
C4B' B10B B15B B11B 43.1(3) . . . . ?
C4B' B10B B15B B14B -95.1(4) . . . . ?
C4B' B10B B15B B16B 5.8(4) . . . . ?
C4B' B10B B15B B18B -56.6(4) . . . . ?
C4B' B11B B12B C3B -31.1(4) . . . . ?
C4B' B11B B12B B16B -131.2(4) . . . . ?
C4B' B11B B12B B17B -92.0(4) . . . . ?
C4B' B11B B15B B6B -152.0(3) . . . . ?
C4B' B11B B15B B10B -39.3(3) . . . . ?
C4B' B11B B15B B14B -2.3(4) . . . . ?
C4B' B11B B15B B16B 97.8(3) . . . . ?
C4B' B11B B15B B18B 60.4(3) . . . . ?
C4B' B11B B16B B12B 41.4(3) . . . . ?
C4B' B11B B16B B15B -96.8(3) . . . . ?
C4B' B11B B16B B17B 3.5(4) . . . . ?
C4B' B11B B16B B18B -58.8(3) . . . . ?
C4B' B12B B16B B11B -43.3(4) . . . . ?
C4B' B12B B16B B15B -5.6(5) . . . . ?
C4B' B12B B16B B17B 93.5(5) . . . . ?
C4B' B12B B16B B18B 57.8(5) . . . . ?
C4B' B12B B17B C3B 30.1(3) . . . . ?
C4B' B12B B17B B13B -0.2(4) . . . . ?
C4B' B12B B17B B16B -102.1(4) . . . . ?
C4B' B12B B17B B18B -65.1(5) . . . . ?
B1B C1B' B2B B3B 144.0(4) . . . . ?
B1B C1B' B2B B6B 39.7(3) . . . . ?
B1B C1B' B2B B7B 102.9(3) . . . . ?
B1B C1B' B3B C1B 104.6(5) . . . . ?
B1B C1B' B3B B2B -32.1(3) . . . . ?
B1B C1B' B3B B7B 10.8(5) . . . . ?
B1B C1B' B3B B8B 72.9(5) . . . . ?
B1B B2B B3B C1B -3.2(4) . . . . ?
B1B B2B B3B C1B' 31.0(3) . . . . ?
B1B B2B B3B B7B -101.2(3) . . . . ?
B1B B2B B3B B8B -63.8(4) . . . . ?
B1B B2B B6B B5B 37.9(2) . . . . ?
B1B B2B B6B B7B 136.2(3) . . . . ?
B1B B2B B6B B9B 99.8(3) . . . . ?
B1B B2B B6B B15B -112.2(3) . . . . ?
B1B B2B B7B B3B 99.2(3) . . . . ?
B1B B2B B7B B6B -38.8(2) . . . . ?
B1B B2B B7B B8B 62.0(3) . . . . ?
B1B B2B B7B B9B -0.9(3) . . . . ?
B1B B5B B6B B2B -38.1(2) . . . . ?
B1B B5B B6B B7B -99.6(2) . . . . ?
B1B B5B B6B B9B -136.6(3) . . . . ?
B1B B5B B6B B15B 111.6(3) . . . . ?
B1B B5B B9B B4B -97.3(3) . . . . ?
B1B B5B B9B B6B 38.8(2) . . . . ?
B1B B5B B9B B7B -0.5(3) . . . . ?
B1B B5B B9B B8B -64.0(3) . . . . ?
B1B B5B C2B C1B 106.2(5) . . . . ?
B1B B5B C2B B4B 142.3(4) . . . . ?
B1B B6B B7B B2B 38.4(2) . . . . ?
B1B B6B B7B B3B 1.3(3) . . . . ?
B1B B6B B7B B8B -61.9(3) . . . . ?
B1B B6B B7B B9B -99.3(3) . . . . ?
B1B B6B B9B B4B 0.0(3) . . . . ?
B1B B6B B9B B5B -38.0(2) . . . . ?
B1B B6B B9B B7B 99.0(3) . . . . ?
B1B B6B B9B B8B 61.0(3) . . . . ?
B1B B6B B15B B10B 81.8(3) . . . . ?
B1B B6B B15B B11B 154.6(3) . . . . ?
B1B B6B B15B B14B 9.3(4) . . . . ?
B1B B6B B15B B16B -134.7(3) . . . . ?
B1B B6B B15B B18B -62.9(4) . . . . ?
B2B C1B' B1B B5B -104.7(3) . . . . ?
B2B C1B' B1B B6B -41.8(3) . . . . ?
B2B C1B' B3B C1B 136.7(4) . . . . ?
B2B C1B' B3B B7B 42.9(3) . . . . ?
B2B C1B' B3B B8B 105.0(3) . . . . ?
B2B B1B B5B B4B -63.3(4) . . . . ?
B2B B1B B5B B6B 39.1(2) . . . . ?
B2B B1B B5B B9B -0.1(3) . . . . ?
B2B B1B B5B C2B -95.1(4) . . . . ?
B2B B1B B6B B5B -136.7(3) . . . . ?
B2B B1B B6B B7B -38.1(2) . . . . ?
B2B B1B B6B B9B -98.8(2) . . . . ?
B2B B1B B6B B15B 111.0(3) . . . . ?
B2B B1B C2B C1B 1.9(5) . . . . ?
B2B B1B C2B B4B 67.4(5) . . . . ?
B2B B1B C2B B5B 103.7(3) . . . . ?
B2B B3B B7B B6B 37.2(3) . . . . ?
B2B B3B B7B B8B 138.3(3) . . . . ?
B2B B3B B7B B9B 100.6(3) . . . . ?
B2B B3B B8B C1B 95.9(4) . . . . ?
B2B B3B B8B B4B 64.1(4) . . . . ?
B2B B3B B8B B7B -37.7(3) . . . . ?
B2B B3B B8B B9B 0.2(5) . . . . ?
B2B B6B B7B B3B -37.1(3) . . . . ?
B2B B6B B7B B8B -100.3(3) . . . . ?
B2B B6B B7B B9B -137.7(3) . . . . ?
B2B B6B B9B B4B -62.3(3) . . . . ?
B2B B6B B9B B5B -100.2(3) . . . . ?
B2B B6B B9B B7B 36.7(2) . . . . ?
B2B B6B B9B B8B -1.2(4) . . . . ?
B2B B6B B15B B10B 154.3(3) . . . . ?
B2B B6B B15B B11B -132.9(3) . . . . ?
B2B B6B B15B B14B 81.9(4) . . . . ?
B2B B6B B15B B16B -62.1(3) . . . . ?
B2B B6B B15B B18B 9.6(4) . . . . ?
B2B B7B B8B C1B -2.2(4) . . . . ?
B2B B7B B8B B3B 36.9(3) . . . . ?
B2B B7B B8B B4B -60.3(4) . . . . ?
B2B B7B B8B B9B -100.5(3) . . . . ?
B2B B7B B9B B4B 62.2(3) . . . . ?
B2B B7B B9B B5B 0.9(3) . . . . ?
B2B B7B B9B B6B -37.6(2) . . . . ?
B2B B7B B9B B8B 100.5(3) . . . . ?
B3B C1B C1B' B1B -99.9(5) . . . . ?
B3B C1B C1B' B2B -37.4(4) . . . . ?
B3B C1B B4B B5B 66.5(5) . . . . ?
B3B C1B B4B B8B -38.2(4) . . . . ?
B3B C1B B4B B9B 2.1(6) . . . . ?
B3B C1B B4B C2B 102.8(5) . . . . ?
B3B C1B B8B B4B 142.1(4) . . . . ?
B3B C1B B8B B7B 40.2(3) . . . . ?
B3B C1B B8B B9B 102.3(3) . . . . ?
B3B C1B C2B B1B -4.3(6) . . . . ?
B3B C1B C2B B4B -109.3(4) . . . . ?
B3B C1B C2B B5B -72.2(5) . . . . ?
B3B C1B' B1B B2B 31.8(3) . . . . ?
B3B C1B' B1B B5B -72.9(5) . . . . ?
B3B C1B' B1B B6B -10.0(5) . . . . ?
B3B C1B' B2B B1B -144.0(4) . . . . ?
B3B C1B' B2B B6B -104.3(3) . . . . ?
B3B C1B' B2B B7B -41.1(3) . . . . ?
B3B B2B B6B B1B -98.4(3) . . . . ?
B3B B2B B6B B5B -60.5(4) . . . . ?
B3B B2B B6B B7B 37.7(3) . . . . ?
B3B B2B B6B B9B 1.4(4) . . . . ?
B3B B2B B6B B15B 149.3(3) . . . . ?
B3B B2B B7B B6B -138.0(3) . . . . ?
B3B B2B B7B B8B -37.2(3) . . . . ?
B3B B2B B7B B9B -100.1(3) . . . . ?
B3B B7B B8B C1B -39.1(3) . . . . ?
B3B B7B B8B B4B -97.2(4) . . . . ?
B3B B7B B8B B9B -137.4(3) . . . . ?
B3B B7B B9B B4B -0.4(3) . . . . ?
B3B B7B B9B B5B -61.8(3) . . . . ?
B3B B7B B9B B6B -100.2(3) . . . . ?
B3B B7B B9B B8B 37.9(3) . . . . ?
B3B B8B B9B B4B 97.3(4) . . . . ?
B3B B8B B9B B5B 63.9(4) . . . . ?
B3B B8B B9B B6B 0.6(4) . . . . ?
B3B B8B B9B B7B -37.9(3) . . . . ?
B4B C1B C1B' B1B 10.3(7) . . . . ?
B4B C1B C1B' B2B 72.8(6) . . . . ?
B4B C1B C1B' B3B 110.2(5) . . . . ?
B4B C1B B3B C1B' -104.8(5) . . . . ?
B4B C1B B3B B2B -65.2(5) . . . . ?
B4B C1B B3B B7B -2.3(5) . . . . ?
B4B C1B B3B B8B 37.9(4) . . . . ?
B4B C1B B8B B3B -142.1(4) . . . . ?
B4B C1B B8B B7B -101.9(3) . . . . ?
B4B C1B B8B B9B -39.8(3) . . . . ?
B4B C1B C2B B1B 105.0(4) . . . . ?
B4B C1B C2B B5B 37.1(4) . . . . ?
B4B B5B B6B B1B 97.2(3) . . . . ?
B4B B5B B6B B2B 59.1(3) . . . . ?
B4B B5B B6B B7B -2.4(3) . . . . ?
B4B B5B B6B B9B -39.3(3) . . . . ?
B4B B5B B6B B15B -151.2(3) . . . . ?
B4B B5B B9B B6B 136.0(3) . . . . ?
B4B B5B B9B B7B 96.8(3) . . . . ?
B4B B5B B9B B8B 33.2(3) . . . . ?
B4B B5B C2B C1B -36.0(4) . . . . ?
B4B B5B C2B B1B -142.3(4) . . . . ?
B4B B8B B9B B5B -33.5(3) . . . . ?
B4B B8B B9B B6B -96.7(3) . . . . ?
B4B B8B B9B B7B -135.2(3) . . . . ?
B5B B1B B2B C1B' 94.8(4) . . . . ?
B5B B1B B2B B3B 63.6(3) . . . . ?
B5B B1B B2B B6B -39.0(2) . . . . ?
B5B B1B B2B B7B 0.6(3) . . . . ?
B5B B1B B6B B2B 136.7(3) . . . . ?
B5B B1B B6B B7B 98.6(2) . . . . ?
B5B B1B B6B B9B 38.0(2) . . . . ?
B5B B1B B6B B15B -112.3(3) . . . . ?
B5B B1B C2B C1B -101.7(4) . . . . ?
B5B B1B C2B B4B -36.3(4) . . . . ?
B5B B4B B8B C1B -99.4(4) . . . . ?
B5B B4B B8B B3B -66.9(4) . . . . ?
B5B B4B B8B B7B -4.3(5) . . . . ?
B5B B4B B8B B9B 35.4(3) . . . . ?
B5B B4B B9B B6B -38.5(3) . . . . ?
B5B B4B B9B B7B -102.6(3) . . . . ?
B5B B4B B9B B8B -141.9(3) . . . . ?
B5B B4B C2B C1B 140.2(4) . . . . ?
B5B B4B C2B B1B 36.4(4) . . . . ?
B5B B6B B7B B2B 100.2(3) . . . . ?
B5B B6B B7B B3B 63.1(3) . . . . ?
B5B B6B B7B B8B -0.1(3) . . . . ?
B5B B6B B7B B9B -37.5(2) . . . . ?
B5B B6B B9B B4B 38.0(3) . . . . ?
B5B B6B B9B B7B 137.0(3) . . . . ?
B5B B6B B9B B8B 99.0(3) . . . . ?
B5B B6B B15B B10B 9.2(4) . . . . ?
B5B B6B B15B B11B 82.0(3) . . . . ?
B5B B6B B15B B14B -63.2(4) . . . . ?
B5B B6B B15B B16B 152.8(3) . . . . ?
B5B B6B B15B B18B -135.5(3) . . . . ?
B6B B1B B2B C1B' 133.8(4) . . . . ?
B6B B1B B2B B3B 102.6(3) . . . . ?
B6B B1B B2B B7B 39.7(2) . . . . ?
B6B B1B B5B B4B -102.3(3) . . . . ?
B6B B1B B5B B9B -39.2(2) . . . . ?
B6B B1B B5B C2B -134.2(3) . . . . ?
B6B B1B C2B C1B -61.1(5) . . . . ?
B6B B1B C2B B4B 4.4(5) . . . . ?
B6B B1B C2B B5B 40.7(3) . . . . ?
B6B B2B B3B C1B 59.5(4) . . . . ?
B6B B2B B3B C1B' 93.7(4) . . . . ?
B6B B2B B3B B7B -38.4(3) . . . . ?
B6B B2B B3B B8B -1.0(5) . . . . ?
B6B B2B B7B B3B 138.0(3) . . . . ?
B6B B2B B7B B8B 100.8(3) . . . . ?
B6B B2B B7B B9B 37.9(2) . . . . ?
B6B B5B B9B B4B -136.0(3) . . . . ?
B6B B5B B9B B7B -39.2(2) . . . . ?
B6B B5B B9B B8B -102.8(3) . . . . ?
B6B B5B C2B C1B 66.5(5) . . . . ?
B6B B5B C2B B1B -39.8(3) . . . . ?
B6B B5B C2B B4B 102.5(3) . . . . ?
B6B B7B B8B C1B 60.8(3) . . . . ?
B6B B7B B8B B3B 99.8(3) . . . . ?
B6B B7B B8B B4B 2.6(4) . . . . ?
B6B B7B B8B B9B -37.6(2) . . . . ?
B6B B7B B9B B4B 99.8(3) . . . . ?
B6B B7B B9B B5B 38.4(2) . . . . ?
B6B B7B B9B B8B 138.0(3) . . . . ?
B6B B15B B16B B11B -111.0(3) . . . . ?
B6B B15B B16B B12B -148.8(3) . . . . ?
B6B B15B B16B B17B 148.7(3) . . . . ?
B6B B15B B16B B18B 111.6(3) . . . . ?
B6B B15B B18B B13B 149.0(3) . . . . ?
B6B B15B B18B B14B 111.5(3) . . . . ?
B6B B15B B18B B16B -110.4(3) . . . . ?
B6B B15B B18B B17B -148.0(3) . . . . ?
B7B B2B B3B C1B 98.0(3) . . . . ?
B7B B2B B3B C1B' 132.2(4) . . . . ?
B7B B2B B3B B8B 37.4(3) . . . . ?
B7B B2B B6B B1B -136.2(3) . . . . ?
B7B B2B B6B B5B -98.3(2) . . . . ?
B7B B2B B6B B9B -36.4(2) . . . . ?
B7B B2B B6B B15B 111.6(3) . . . . ?
B7B B3B B8B C1B 133.6(3) . . . . ?
B7B B3B B8B B4B 101.8(3) . . . . ?
B7B B3B B8B B9B 38.0(3) . . . . ?
B7B B6B B9B B4B -99.0(3) . . . . ?
B7B B6B B9B B5B -137.0(3) . . . . ?
B7B B6B B9B B8B -38.0(3) . . . . ?
B7B B6B B15B B10B -134.2(3) . . . . ?
B7B B6B B15B B11B -61.4(3) . . . . ?
B7B B6B B15B B14B 153.3(3) . . . . ?
B7B B6B B15B B16B 9.3(4) . . . . ?
B7B B6B B15B B18B 81.1(3) . . . . ?
B7B B8B B9B B4B 135.2(3) . . . . ?
B7B B8B B9B B5B 101.8(3) . . . . ?
B7B B8B B9B B6B 38.6(3) . . . . ?
B8B C1B C1B' B1B -61.1(7) . . . . ?
B8B C1B C1B' B2B 1.4(7) . . . . ?
B8B C1B C1B' B3B 38.8(4) . . . . ?
B8B C1B B3B C1B' -142.8(4) . . . . ?
B8B C1B B3B B2B -103.1(3) . . . . ?
B8B C1B B3B B7B -40.3(3) . . . . ?
B8B C1B B4B B5B 104.8(4) . . . . ?
B8B C1B B4B B9B 40.4(3) . . . . ?
B8B C1B B4B C2B 141.1(4) . . . . ?
B8B C1B C2B B1B 66.7(6) . . . . ?
B8B C1B C2B B4B -38.3(4) . . . . ?
B8B C1B C2B B5B -1.2(6) . . . . ?
B8B B3B B7B B2B -138.3(3) . . . . ?
B8B B3B B7B B6B -101.2(3) . . . . ?
B8B B3B B7B B9B -37.7(3) . . . . ?
B8B B4B B5B B1B 67.1(4) . . . . ?
B8B B4B B5B B6B 4.3(5) . . . . ?
B8B B4B B5B B9B -35.4(3) . . . . ?
B8B B4B B5B C2B 99.3(5) . . . . ?
B8B B4B B9B B5B 141.9(3) . . . . ?
B8B B4B B9B B6B 103.4(3) . . . . ?
B8B B4B B9B B7B 39.3(3) . . . . ?
B8B B4B C2B C1B 35.1(3) . . . . ?
B8B B4B C2B B1B -68.7(5) . . . . ?
B8B B4B C2B B5B -105.1(4) . . . . ?
B8B B7B B9B B4B -38.2(3) . . . . ?
B8B B7B B9B B5B -99.6(3) . . . . ?
B8B B7B B9B B6B -138.0(3) . . . . ?
B9B B4B B5B B1B 102.4(3) . . . . ?
B9B B4B B5B B6B 39.6(3) . . . . ?
B9B B4B B5B C2B 134.7(4) . . . . ?
B9B B4B B8B C1B -134.8(3) . . . . ?
B9B B4B B8B B3B -102.4(3) . . . . ?
B9B B4B B8B B7B -39.8(3) . . . . ?
B9B B4B C2B C1B 99.3(4) . . . . ?
B9B B4B C2B B1B -4.4(6) . . . . ?
B9B B4B C2B B5B -40.9(3) . . . . ?
B9B B5B B6B B1B 136.6(3) . . . . ?
B9B B5B B6B B2B 98.4(2) . . . . ?
B9B B5B B6B B7B 36.9(2) . . . . ?
B9B B5B B6B B15B -111.8(3) . . . . ?
B9B B5B C2B C1B 3.5(5) . . . . ?
B9B B5B C2B B1B -102.7(3) . . . . ?
B9B B5B C2B B4B 39.5(3) . . . . ?
B9B B6B B7B B2B 137.7(3) . . . . ?
B9B B6B B7B B3B 100.6(3) . . . . ?
B9B B6B B7B B8B 37.3(2) . . . . ?
B9B B6B B15B B10B -63.4(4) . . . . ?
B9B B6B B15B B11B 9.4(4) . . . . ?
B9B B6B B15B B14B -135.9(3) . . . . ?
B9B B6B B15B B16B 80.2(3) . . . . ?
B9B B6B B15B B18B 151.9(3) . . . . ?
B9B B7B B8B C1B 98.4(3) . . . . ?
B9B B7B B8B B3B 137.4(3) . . . . ?
B9B B7B B8B B4B 40.3(3) . . . . ?
B10B C4B' B11B B12B 144.8(4) . . . . ?
B10B C4B' B11B B15B 41.1(3) . . . . ?
B10B C4B' B11B B16B 103.4(3) . . . . ?
B10B C4B' B12B C3B 106.1(5) . . . . ?
B10B C4B' B12B B11B -33.1(4) . . . . ?
B10B C4B' B12B B16B 9.8(6) . . . . ?
B10B C4B' B12B B17B 72.5(5) . . . . ?
B10B B11B B12B C3B -0.8(4) . . . . ?
B10B B11B B12B C4B' 30.3(3) . . . . ?
B10B B11B B12B B16B -100.9(3) . . . . ?
B10B B11B B12B B17B -61.7(4) . . . . ?
B10B B11B B15B B6B -112.7(3) . . . . ?
B10B B11B B15B B14B 37.0(3) . . . . ?
B10B B11B B15B B16B 137.1(3) . . . . ?
B10B B11B B15B B18B 99.6(3) . . . . ?
B10B B11B B16B B12B 100.0(3) . . . . ?
B10B B11B B16B B15B -38.3(2) . . . . ?
B10B B11B B16B B17B 62.1(3) . . . . ?
B10B B11B B16B B18B -0.3(3) . . . . ?
B10B B14B B15B B6B 112.5(3) . . . . ?
B10B B14B B15B B11B -37.1(2) . . . . ?
B10B B14B B15B B16B -99.1(3) . . . . ?
B10B B14B B15B B18B -136.2(3) . . . . ?
B10B B14B B18B B13B -96.7(3) . . . . ?
B10B B14B B18B B15B 38.9(2) . . . . ?
B10B B14B B18B B16B 1.2(3) . . . . ?
B10B B14B B18B B17B -62.0(3) . . . . ?
B10B B14B C4B C3B 105.2(6) . . . . ?
B10B B14B C4B B13B 142.6(5) . . . . ?
B10B B15B B16B B11B 37.8(2) . . . . ?
B10B B15B B16B B12B 0.1(4) . . . . ?
B10B B15B B16B B17B -62.5(3) . . . . ?
B10B B15B B16B B18B -99.6(3) . . . . ?
B10B B15B B18B B13B -0.8(3) . . . . ?
B10B B15B B18B B14B -38.4(2) . . . . ?
B10B B15B B18B B16B 99.7(2) . . . . ?
B10B B15B B18B B17B 62.2(4) . . . . ?
B11B C4B' B10B B14B -104.5(3) . . . . ?
B11B C4B' B10B B15B -42.2(3) . . . . ?
B11B C4B' B12B C3B 139.2(4) . . . . ?
B11B C4B' B12B B16B 42.9(3) . . . . ?
B11B C4B' B12B B17B 105.6(3) . . . . ?
B11B B10B B14B B13B -65.8(3) . . . . ?
B11B B10B B14B B15B 37.5(2) . . . . ?
B11B B10B B14B B18B -1.4(3) . . . . ?
B11B B10B B14B C4B -97.5(4) . . . . ?
B11B B10B B15B B6B 110.8(3) . . . . ?
B11B B10B B15B B14B -138.2(3) . . . . ?
B11B B10B B15B B16B -37.4(2) . . . . ?
B11B B10B B15B B18B -99.7(3) . . . . ?
B11B B10B C4B C3B 4.8(6) . . . . ?
B11B B10B C4B B13B 68.9(6) . . . . ?
B11B B10B C4B B14B 103.3(3) . . . . ?
B11B B12B B16B B15B 37.7(3) . . . . ?
B11B B12B B16B B17B 136.9(3) . . . . ?
B11B B12B B16B B18B 101.1(3) . . . . ?
B11B B12B B17B C3B 93.2(4) . . . . ?
B11B B12B B17B B13B 62.9(4) . . . . ?
B11B B12B B17B B16B -38.9(3) . . . . ?
B11B B12B B17B B18B -1.9(5) . . . . ?
B11B B15B B16B B12B -37.8(3) . . . . ?
B11B B15B B16B B17B -100.3(3) . . . . ?
B11B B15B B16B B18B -137.4(3) . . . . ?
B11B B15B B18B B13B -63.4(3) . . . . ?
B11B B15B B18B B14B -101.0(3) . . . . ?
B11B B15B B18B B16B 37.2(2) . . . . ?
B11B B15B B18B B17B -0.4(4) . . . . ?
B11B B16B B17B C3B -2.6(4) . . . . ?
B11B B16B B17B B12B 38.5(3) . . . . ?
B11B B16B B17B B13B -60.2(4) . . . . ?
B11B B16B B17B B18B -101.0(3) . . . . ?
B11B B16B B18B B13B 59.9(3) . . . . ?
B11B B16B B18B B14B -0.6(3) . . . . ?
B11B B16B B18B B15B -38.2(2) . . . . ?
B11B B16B B18B B17B 99.6(3) . . . . ?
B12B C3B C4B' B10B -103.3(4) . . . . ?
B12B C3B C4B' B11B -36.8(3) . . . . ?
B12B C3B B13B B14B 65.7(5) . . . . ?
B12B C3B B13B B17B -35.7(4) . . . . ?
B12B C3B B13B B18B 2.4(6) . . . . ?
B12B C3B B13B C4B 105.1(5) . . . . ?
B12B C3B B17B B13B 143.9(4) . . . . ?
B12B C3B B17B B16B 41.3(3) . . . . ?
B12B C3B B17B B18B 104.4(3) . . . . ?
B12B C3B C4B B10B -5.9(8) . . . . ?
B12B C3B C4B B13B -109.6(5) . . . . ?
B12B C3B C4B B14B -72.0(7) . . . . ?
B12B C4B' B10B B11B 32.4(4) . . . . ?
B12B C4B' B10B B14B -72.1(5) . . . . ?
B12B C4B' B10B B15B -9.7(6) . . . . ?
B12B C4B' B11B B10B -144.8(4) . . . . ?
B12B C4B' B11B B15B -103.7(3) . . . . ?
B12B C4B' B11B B16B -41.3(3) . . . . ?
B12B B11B B15B B6B 146.9(3) . . . . ?
B12B B11B B15B B10B -100.3(3) . . . . ?
B12B B11B B15B B14B -63.3(3) . . . . ?
B12B B11B B15B B16B 36.8(3) . . . . ?
B12B B11B B15B B18B -0.7(3) . . . . ?
B12B B11B B16B B15B -138.3(3) . . . . ?
B12B B11B B16B B17B -37.9(3) . . . . ?
B12B B11B B16B B18B -100.2(3) . . . . ?
B12B B16B B17B C3B -41.1(3) . . . . ?
B12B B16B B17B B13B -98.7(4) . . . . ?
B12B B16B B17B B18B -139.5(4) . . . . ?
B12B B16B B18B B13B -4.0(4) . . . . ?
B12B B16B B18B B14B -64.5(3) . . . . ?
B12B B16B B18B B15B -102.1(3) . . . . ?
B12B B16B B18B B17B 35.7(3) . . . . ?
B12B B17B B18B B13B 98.6(4) . . . . ?
B12B B17B B18B B14B 65.0(4) . . . . ?
B12B B17B B18B B15B 1.4(5) . . . . ?
B12B B17B B18B B16B -36.4(3) . . . . ?
B13B C3B C4B' B10B 8.3(6) . . . . ?
B13B C3B C4B' B11B 74.9(5) . . . . ?
B13B C3B C4B' B12B 111.6(4) . . . . ?
B13B C3B B12B C4B' -103.3(5) . . . . ?
B13B C3B B12B B11B -67.3(5) . . . . ?
B13B C3B B12B B16B -5.0(6) . . . . ?
B13B C3B B12B B17B 37.2(4) . . . . ?
B13B C3B B17B B12B -143.9(4) . . . . ?
B13B C3B B17B B16B -102.7(4) . . . . ?
B13B C3B B17B B18B -39.5(3) . . . . ?
B13B C3B C4B B10B 103.8(5) . . . . ?
B13B C3B C4B B14B 37.6(4) . . . . ?
B13B B14B B15B B6B -151.8(3) . . . . ?
B13B B14B B15B B10B 95.7(4) . . . . ?
B13B B14B B15B B11B 58.6(4) . . . . ?
B13B B14B B15B B16B -3.4(4) . . . . ?
B13B B14B B15B B18B -40.5(3) . . . . ?
B13B B14B B18B B15B 135.6(3) . . . . ?
B13B B14B B18B B16B 97.9(3) . . . . ?
B13B B14B B18B B17B 34.7(3) . . . . ?
B13B B14B C4B C3B -37.3(4) . . . . ?
B13B B14B C4B B10B -142.6(5) . . . . ?
B13B B17B B18B B14B -33.6(3) . . . . ?
B13B B17B B18B B15B -97.2(3) . . . . ?
B13B B17B B18B B16B -135.0(3) . . . . ?
B14B B10B B11B C4B' 94.5(4) . . . . ?
B14B B10B B11B B12B 63.2(3) . . . . ?
B14B B10B B11B B15B -37.6(2) . . . . ?
B14B B10B B11B B16B 1.0(3) . . . . ?
B14B B10B B15B B6B -111.0(3) . . . . ?
B14B B10B B15B B11B 138.2(3) . . . . ?
B14B B10B B15B B16B 100.8(3) . . . . ?
B14B B10B B15B B18B 38.5(2) . . . . ?
B14B B10B C4B C3B -98.5(6) . . . . ?
B14B B10B C4B B13B -34.5(5) . . . . ?
B14B B13B B17B C3B -100.2(4) . . . . ?
B14B B13B B17B B12B -68.4(5) . . . . ?
B14B B13B B17B B16B -5.6(5) . . . . ?
B14B B13B B17B B18B 35.0(3) . . . . ?
B14B B13B B18B B15B -38.9(3) . . . . ?
B14B B13B B18B B16B -101.9(3) . . . . ?
B14B B13B B18B B17B -141.4(4) . . . . ?
B14B B13B C4B C3B 137.5(4) . . . . ?
B14B B13B C4B B10B 35.4(4) . . . . ?
B14B B15B B16B B11B 100.3(3) . . . . ?
B14B B15B B16B B12B 62.5(4) . . . . ?
B14B B15B B16B B17B 0.0(4) . . . . ?
B14B B15B B16B B18B -37.1(3) . . . . ?
B14B B15B B18B B13B 37.6(3) . . . . ?
B14B B15B B18B B16B 138.1(3) . . . . ?
B14B B15B B18B B17B 100.6(3) . . . . ?
B15B B6B B7B B2B -110.8(3) . . . . ?
B15B B6B B7B B3B -147.9(3) . . . . ?
B15B B6B B7B B8B 148.9(3) . . . . ?
B15B B6B B7B B9B 111.6(3) . . . . ?
B15B B6B B9B B4B 150.1(3) . . . . ?
B15B B6B B9B B5B 112.2(3) . . . . ?
B15B B6B B9B B7B -110.9(3) . . . . ?
B15B B6B B9B B8B -148.8(3) . . . . ?
B15B B10B B11B C4B' 132.1(4) . . . . ?
B15B B10B B11B B12B 100.8(3) . . . . ?
B15B B10B B11B B16B 38.6(2) . . . . ?
B15B B10B B14B B13B -103.4(3) . . . . ?
B15B B10B B14B B18B -38.9(2) . . . . ?
B15B B10B B14B C4B -135.0(4) . . . . ?
B15B B10B C4B C3B -58.2(6) . . . . ?
B15B B10B C4B B13B 5.9(7) . . . . ?
B15B B10B C4B B14B 40.3(3) . . . . ?
B15B B11B B12B C3B 62.5(4) . . . . ?
B15B B11B B12B C4B' 93.6(3) . . . . ?
B15B B11B B12B B16B -37.6(3) . . . . ?
B15B B11B B12B B17B 1.6(4) . . . . ?
B15B B11B B16B B12B 138.3(3) . . . . ?
B15B B11B B16B B17B 100.4(3) . . . . ?
B15B B11B B16B B18B 38.0(2) . . . . ?
B15B B14B B18B B13B -135.6(3) . . . . ?
B15B B14B B18B B16B -37.7(2) . . . . ?
B15B B14B B18B B17B -101.0(3) . . . . ?
B15B B14B C4B C3B 66.3(6) . . . . ?
B15B B14B C4B B10B -39.0(3) . . . . ?
B15B B14B C4B B13B 103.6(4) . . . . ?
B15B B16B B17B C3B 61.0(4) . . . . ?
B15B B16B B17B B12B 102.0(3) . . . . ?
B15B B16B B17B B13B 3.3(4) . . . . ?
B15B B16B B17B B18B -37.5(3) . . . . ?
B15B B16B B18B B13B 98.1(3) . . . . ?
B15B B16B B18B B14B 37.6(2) . . . . ?
B15B B16B B18B B17B 137.8(3) . . . . ?
B16B B11B B12B C3B 100.0(4) . . . . ?
B16B B11B B12B C4B' 131.2(4) . . . . ?
B16B B11B B12B B17B 39.2(3) . . . . ?
B16B B11B B15B B6B 110.2(3) . . . . ?
B16B B11B B15B B10B -137.1(3) . . . . ?
B16B B11B B15B B14B -100.1(3) . . . . ?
B16B B11B B15B B18B -37.5(3) . . . . ?
B16B B12B B17B C3B 132.1(3) . . . . ?
B16B B12B B17B B13B 101.8(3) . . . . ?
B16B B12B B17B B18B 37.0(3) . . . . ?
B16B B15B B18B B13B -100.6(3) . . . . ?
B16B B15B B18B B14B -138.1(3) . . . . ?
B16B B15B B18B B17B -37.6(3) . . . . ?
B16B B17B B18B B13B 135.0(3) . . . . ?
B16B B17B B18B B14B 101.5(3) . . . . ?
B16B B17B B18B B15B 37.9(3) . . . . ?
B17B C3B C4B' B10B -64.5(6) . . . . ?
B17B C3B C4B' B11B 2.1(6) . . . . ?
B17B C3B C4B' B12B 38.8(4) . . . . ?
B17B C3B B12B C4B' -140.4(4) . . . . ?
B17B C3B B12B B11B -104.5(3) . . . . ?
B17B C3B B12B B16B -42.1(3) . . . . ?
B17B C3B B13B B14B 101.4(4) . . . . ?
B17B C3B B13B B18B 38.2(3) . . . . ?
B17B C3B B13B C4B 140.8(4) . . . . ?
B17B C3B C4B B10B 63.5(7) . . . . ?
B17B C3B C4B B13B -40.2(5) . . . . ?
B17B C3B C4B B14B -2.6(7) . . . . ?
B17B B12B B16B B11B -136.9(3) . . . . ?
B17B B12B B16B B15B -99.2(3) . . . . ?
B17B B12B B16B B18B -35.7(3) . . . . ?
B17B B13B B14B B10B 68.2(4) . . . . ?
B17B B13B B14B B15B 5.5(5) . . . . ?
B17B B13B B14B B18B -34.1(3) . . . . ?
B17B B13B B14B C4B 99.2(5) . . . . ?
B17B B13B B18B B14B 141.4(4) . . . . ?
B17B B13B B18B B15B 102.5(3) . . . . ?
B17B B13B B18B B16B 39.5(3) . . . . ?
B17B B13B C4B C3B 34.3(4) . . . . ?
B17B B13B C4B B10B -67.7(6) . . . . ?
B17B B13B C4B B14B -103.2(4) . . . . ?
B17B B16B B18B B13B -39.7(3) . . . . ?
B17B B16B B18B B14B -100.2(3) . . . . ?
B17B B16B B18B B15B -137.8(3) . . . . ?
B18B B13B B14B B10B 102.4(3) . . . . ?
B18B B13B B14B B15B 39.7(3) . . . . ?
B18B B13B B14B C4B 133.3(5) . . . . ?
B18B B13B B17B C3B -135.3(4) . . . . ?
B18B B13B B17B B12B -103.4(3) . . . . ?
B18B B13B B17B B16B -40.6(3) . . . . ?
B18B B13B C4B C3B 95.6(4) . . . . ?
B18B B13B C4B B10B -6.4(7) . . . . ?
B18B B13B C4B B14B -41.8(4) . . . . ?
B18B B14B B15B B6B -111.3(3) . . . . ?
B18B B14B B15B B10B 136.2(3) . . . . ?
B18B B14B B15B B11B 99.1(3) . . . . ?
B18B B14B B15B B16B 37.1(2) . . . . ?
B18B B14B C4B C3B 4.2(6) . . . . ?
B18B B14B C4B B10B -101.0(3) . . . . ?
B18B B14B C4B B13B 41.6(4) . . . . ?
B18B B15B B16B B11B 137.4(3) . . . . ?
B18B B15B B16B B12B 99.6(3) . . . . ?
B18B B15B B16B B17B 37.1(3) . . . . ?
B18B B16B B17B C3B 98.4(4) . . . . ?
B18B B16B B17B B12B 139.5(4) . . . . ?
B18B B16B B17B B13B 40.8(3) . . . . ?
C1D N1D C3D C4D 67.7(4) . . . . ?
C1D N1D C5D C6D -179.2(4) . . . . ?
C1D N1D C7D C8D -58.1(5) . . . . ?
C1F N1F C3F C4F 51.2(6) . . . . ?
C1F N1F C5F C6F 72.2(5) . . . . ?
C1F N1F C7F C8F -178.6(5) . . . . ?
C2B C1B B3B B2B 4.6(5) . . . . ?
C2B C1B B3B B7B 67.5(5) . . . . ?
C2B C1B B3B B8B 107.8(4) . . . . ?
C2B C1B B4B B5B -36.3(4) . . . . ?
C2B C1B B4B B8B -141.1(4) . . . . ?
C2B C1B B4B B9B -100.7(4) . . . . ?
C2B C1B B8B B3B -104.0(5) . . . . ?
C2B C1B B8B B4B 38.1(4) . . . . ?
C2B C1B B8B B7B -63.8(5) . . . . ?
C2B C1B B8B B9B -1.7(5) . . . . ?
C2B B1B B2B B3B 0.9(4) . . . . ?
C2B B1B B2B B6B -101.6(3) . . . . ?
C2B B1B B2B B7B -62.0(3) . . . . ?
C2B B1B B5B B4B 31.9(4) . . . . ?
C2B B1B B5B B6B 134.2(3) . . . . ?
C2B B1B B5B B9B 95.0(4) . . . . ?
C2B B1B B6B B2B 96.3(4) . . . . ?
C2B B1B B6B B5B -40.4(3) . . . . ?
C2B B1B B6B B7B 58.2(4) . . . . ?
C2B B1B B6B B9B -2.5(4) . . . . ?
C2B B1B B6B B15B -152.7(3) . . . . ?
C2B B4B B5B B1B -32.2(4) . . . . ?
C2B B4B B5B B6B -95.0(4) . . . . ?
C2B B4B B5B B9B -134.7(4) . . . . ?
C2B B4B B8B C1B -33.9(3) . . . . ?
C2B B4B B8B B3B -1.4(4) . . . . ?
C2B B4B B8B B7B 61.2(4) . . . . ?
C2B B4B B8B B9B 101.0(4) . . . . ?
C2B B4B B9B B5B 41.0(4) . . . . ?
C2B B4B B9B B6B 2.5(4) . . . . ?
C2B B4B B9B B7B -61.6(4) . . . . ?
C2B B4B B9B B8B -100.8(4) . . . . ?
C2B B5B B6B B1B 38.4(3) . . . . ?
C2B B5B B6B B2B 0.3(3) . . . . ?
C2B B5B B6B B7B -61.2(3) . . . . ?
C2B B5B B6B B9B -98.2(3) . . . . ?
C2B B5B B6B B15B 150.0(3) . . . . ?
C2B B5B B9B B4B -37.6(3) . . . . ?
C2B B5B B9B B6B 98.4(3) . . . . ?
C2B B5B B9B B7B 59.2(4) . . . . ?
C2B B5B B9B B8B -4.4(4) . . . . ?
C3D N1D C1D C2D 58.6(4) . . . . ?
C3D N1D C5D C6D -58.2(5) . . . . ?
C3D N1D C7D C8D -176.1(4) . . . . ?
C3F N1F C1F C2F 57.0(5) . . . . ?
C3F N1F C5F C6F -169.4(5) . . . . ?
C3F N1F C7F C8F 60.1(6) . . . . ?
C4A C3A B12A B11A -6.0(5) . . . . ?
C4A C3A B12A B16A -73.1(4) . . . . ?
C4A C3A B12A B17A -111.0(3) . . . . ?
C4A C3A B13A B14A 40.5(3) . . . . ?
C4A C3A B13A B17A 144.6(3) . . . . ?
C4A C3A B13A B18A 103.0(3) . . . . ?
C4A C3A B17A B12A 103.8(4) . . . . ?
C4A C3A B17A B13A -35.8(3) . . . . ?
C4A C3A B17A B16A 66.9(4) . . . . ?
C4A C3A B17A B18A 5.5(4) . . . . ?
C4A B10A B11A B12A -0.7(3) . . . . ?
C4A B10A B11A B15A 102.8(3) . . . . ?
C4A B10A B11A B16A 65.0(3) . . . . ?
C4A B10A B14A B13A -36.5(3) . . . . ?
C4A B10A B14A B15A -137.7(3) . . . . ?
C4A B10A B14A B18A -99.1(3) . . . . ?
C4A B10A B15A B6A 148.6(3) . . . . ?
C4A B10A B15A B11A -97.9(3) . . . . ?
C4A B10A B15A B14A 37.9(3) . . . . ?
C4A B10A B15A B16A -60.3(3) . . . . ?
C4A B10A B15A B18A 0.9(3) . . . . ?
C4A B13A B14A B10A 36.6(3) . . . . ?
C4A B13A B14A B15A 99.4(3) . . . . ?
C4A B13A B14A B18A 136.7(3) . . . . ?
C4A B13A B17A C3A 30.6(3) . . . . ?
C4A B13A B17A B12A -3.0(4) . . . . ?
C4A B13A B17A B16A -65.4(3) . . . . ?
C4A B13A B17A B18A -101.3(3) . . . . ?
C4A B13A B18A B14A -38.6(3) . . . . ?
C4A B13A B18A B15A -1.3(4) . . . . ?
C4A B13A B18A B16A 62.5(4) . . . . ?
C4A B13A B18A B17A 99.4(4) . . . . ?
C4A B14A B15A B6A -149.1(3) . . . . ?
C4A B14A B15A B10A -37.5(3) . . . . ?
C4A B14A B15A B11A 1.7(3) . . . . ?
C4A B14A B15A B16A 64.3(3) . . . . ?
C4A B14A B15A B18A 99.6(3) . . . . ?
C4A B14A B18A B13A 38.1(3) . . . . ?
C4A B14A B18A B15A -100.7(3) . . . . ?
C4A B14A B18A B16A -64.2(3) . . . . ?
C4A B14A B18A B17A 0.5(3) . . . . ?
C4B C3B B12B B11B 4.0(6) . . . . ?
C4B C3B B12B B16B 66.4(6) . . . . ?
C4B C3B B12B B17B 108.5(5) . . . . ?
C4B C3B B13B B14B -39.4(4) . . . . ?
C4B C3B B13B B17B -140.8(4) . . . . ?
C4B C3B B13B B18B -102.6(4) . . . . ?
C4B C3B B17B B12B -104.7(6) . . . . ?
C4B C3B B17B B13B 39.3(5) . . . . ?
C4B C3B B17B B16B -63.4(6) . . . . ?
C4B C3B B17B B18B -0.3(6) . . . . ?
C4B B10B B11B B12B -2.3(4) . . . . ?
C4B B10B B11B B15B -103.1(4) . . . . ?
C4B B10B B11B B16B -64.4(4) . . . . ?
C4B B10B B14B B13B 31.7(4) . . . . ?
C4B B10B B14B B15B 135.0(4) . . . . ?
C4B B10B B14B B18B 96.1(4) . . . . ?
C4B B10B B15B B6B -152.4(4) . . . . ?
C4B B10B B15B B11B 96.8(4) . . . . ?
C4B B10B B15B B14B -41.4(4) . . . . ?
C4B B10B B15B B16B 59.5(4) . . . . ?
C4B B10B B15B B18B -2.9(5) . . . . ?
C4B B13B B14B B10B -30.9(4) . . . . ?
C4B B13B B14B B15B -93.6(4) . . . . ?
C4B B13B B14B B18B -133.3(5) . . . . ?
C4B B13B B17B C3B -33.7(4) . . . . ?
C4B B13B B17B B12B -1.9(5) . . . . ?
C4B B13B B17B B16B 61.0(5) . . . . ?
C4B B13B B17B B18B 101.6(4) . . . . ?
C4B B13B B18B B14B 43.1(4) . . . . ?
C4B B13B B18B B15B 4.2(5) . . . . ?
C4B B13B B18B B16B -58.8(5) . . . . ?
C4B B13B B18B B17B -98.3(5) . . . . ?
C4B B14B B15B B6B 149.0(4) . . . . ?
C4B B14B B15B B10B 36.5(3) . . . . ?
C4B B14B B15B B11B -0.6(4) . . . . ?
C4B B14B B15B B16B -62.6(4) . . . . ?
C4B B14B B15B B18B -99.7(4) . . . . ?
C4B B14B B18B B13B -39.1(4) . . . . ?
C4B B14B B18B B15B 96.5(4) . . . . ?
C4B B14B B18B B16B 58.8(4) . . . . ?
C4B B14B B18B B17B -4.5(4) . . . . ?
C5D N1D C1D C2D -177.4(4) . . . . ?
C5D N1D C3D C4D -50.7(5) . . . . ?
C5D N1D C7D C8D 57.5(5) . . . . ?
C5F N1F C1F C2F 174.3(4) . . . . ?
C5F N1F C3F C4F -65.1(5) . . . . ?
C5F N1F C7F C8F -60.9(6) . . . . ?
C7D N1D C1D C2D -57.5(5) . . . . ?
C7D N1D C3D C4D -175.7(4) . . . . ?
C7D N1D C5D C6D 63.9(5) . . . . ?
C7F N1F C1F C2F -65.0(5) . . . . ?
C7F N1F C3F C4F 172.0(4) . . . . ?
C7F N1F C5F C6F -46.8(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.161
_oxdiff_exptl_absorpt_empirical_full_min 0.934
