# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_4a
_database_code_depnum_ccdc_archive 'CCDC 2032820'
loop_
_audit_author_name
_audit_author_address
'Zaozao Qiu'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2020-12-04 deposited with the CCDC.	2020-12-24 downloaded from the CCDC.
;
_audit_creation_date             2020-11-30
_audit_creation_method           
;
Olex2 1.3-dev
(compiled 2020.11.05 svn.r80d884aa for OlexSys, GUI svn.r5830)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H22 B10'
_chemical_formula_sum            'C16 H22 B10'
_chemical_formula_weight         322.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.7334(19)
_cell_length_b                   21.183(4)
_cell_length_c                   10.197(2)
_cell_angle_alpha                90
_cell_angle_beta                 117.947(4)
_cell_angle_gamma                90
_cell_volume                     1857.2(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2790
_cell_measurement_temperature    130
_cell_measurement_theta_max      28.59
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.999
_shelx_estimated_absorpt_T_min   0.993
_exptl_absorpt_coefficient_mu    0.057
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6667
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1147 before and 0.0472 after correction.
The Ratio of minimum to maximum transmission is 0.8936.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.153
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18620
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.636
_diffrn_reflns_theta_min         1.923
_diffrn_ambient_temperature      130.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3715
_reflns_number_total             5718
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX DUO'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 1.3-dev (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-dev (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.288
_refine_diff_density_min         -0.196
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.0023(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5718
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0490
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0638P)²+0.1061P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1332
_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
 B9-H9A \\sim B10-H10A \\sim B12-H12A \\sim B11-H11 \\sim B7-H7A \\sim B5-H5
\\sim B4-H4A \\sim B6-H6A
 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
C2 C 0.67046(14) 0.38315(6) 0.78706(15) 0.0244(3) Uani 1 1 d . . . . .
C1 C 0.55247(15) 0.32360(6) 0.75114(15) 0.0257(3) Uani 1 1 d . . . . .
C3 C 0.36010(14) 0.43007(5) 0.59831(14) 0.0225(2) Uani 1 1 d . . . . .
C4 C 0.30639(15) 0.48827(6) 0.60295(15) 0.0255(3) Uani 1 1 d . . . . .
H4 H 0.348608 0.506396 0.699261 0.031 Uiso 1 1 calc R U . . .
C5 C 0.19255(14) 0.52841(6) 0.48259(15) 0.0246(3) Uani 1 1 d . . . . .
C6 C 0.19753(16) 0.59366(6) 0.50876(15) 0.0281(3) Uani 1 1 d . . . . .
H6 H 0.273143 0.610183 0.601208 0.034 Uiso 1 1 calc R U . . .
C7 C 0.09310(16) 0.63454(6) 0.40102(16) 0.0311(3) Uani 1 1 d . . . . .
H7 H 0.098482 0.678602 0.420211 0.037 Uiso 1 1 calc R U . . .
C8 C -0.01818(16) 0.61117(6) 0.26645(16) 0.0319(3) Uani 1 1 d . . . . .
H8 H -0.088675 0.639080 0.192656 0.038 Uiso 1 1 calc R U . . .
C9 C -0.02641(15) 0.54661(7) 0.23964(17) 0.0345(3) Uani 1 1 d . . . . .
H9 H -0.103366 0.530412 0.147447 0.041 Uiso 1 1 calc R U . . .
C10 C 0.07704(15) 0.50558(6) 0.34664(16) 0.0309(3) Uani 1 1 d . . . . .
H10 H 0.069287 0.461498 0.327287 0.037 Uiso 1 1 calc R U . . .
C11 C 0.31503(14) 0.39449(5) 0.45742(14) 0.0233(3) Uani 1 1 d . . . . .
C12 C 0.36684(16) 0.41415(6) 0.35800(15) 0.0287(3) Uani 1 1 d . . . . .
H12 H 0.429983 0.450806 0.379335 0.034 Uiso 1 1 calc R U . . .
C13 C 0.32722(19) 0.38074(7) 0.22765(17) 0.0385(4) Uani 1 1 d . . . . .
H13 H 0.362362 0.394974 0.160137 0.046 Uiso 1 1 calc R U . . .
C14 C 0.23708(19) 0.32699(7) 0.19603(17) 0.0412(4) Uani 1 1 d . . . . .
H14 H 0.210414 0.304162 0.107124 0.049 Uiso 1 1 calc R U . . .
C15 C 0.18593(16) 0.30661(6) 0.29401(17) 0.0375(4) Uani 1 1 d . . . . .
H15 H 0.124183 0.269535 0.272531 0.045 Uiso 1 1 calc R U . . .
C16 C 0.22400(15) 0.33985(6) 0.42390(16) 0.0307(3) Uani 1 1 d . . . . .
H16 H 0.187948 0.325387 0.490553 0.037 Uiso 1 1 calc R U . . .
B3 B 0.47883(16) 0.39872(6) 0.74886(16) 0.0222(3) Uani 1 1 d . . . . .
B7 B 0.64299(18) 0.43736(7) 0.89440(17) 0.0254(3) Uani 1 1 d D . . . .
H7A H 0.6617(16) 0.4876(5) 0.8776(16) 0.031 Uiso 1 1 d D U . . .
B11 B 0.80589(18) 0.38506(7) 0.96919(17) 0.0281(3) Uani 1 1 d D . . . .
H11 H 0.9213(14) 0.4027(6) 0.9980(16) 0.034 Uiso 1 1 d D U . . .
B6 B 0.74724(18) 0.31218(7) 0.87229(18) 0.0291(3) Uani 1 1 d D . . . .
H6A H 0.8137(16) 0.2847(6) 0.8316(16) 0.035 Uiso 1 1 d D U . . .
B4 B 0.43603(18) 0.33230(7) 0.83180(19) 0.0283(3) Uani 1 1 d D . . . .
H4A H 0.3177(13) 0.3129(6) 0.7741(15) 0.034 Uiso 1 1 d D U . . .
B8 B 0.49509(19) 0.40503(7) 0.92900(18) 0.0273(3) Uani 1 1 d . . . . .
H8A H 0.4109(16) 0.4357(7) 0.9451(15) 0.033 Uiso 1 1 d . U . . .
B12 B 0.69513(19) 0.39727(7) 1.06386(18) 0.0296(3) Uani 1 1 d D . . . .
H12A H 0.7453(17) 0.4236(6) 1.1693(14) 0.036 Uiso 1 1 d D U . . .
B10 B 0.75820(18) 0.31927(7) 1.04924(17) 0.0276(3) Uani 1 1 d D . . . .
H10A H 0.8464(15) 0.2934(6) 1.1440(14) 0.033 Uiso 1 1 d D U . . .
B5 B 0.59779(18) 0.27957(7) 0.90530(19) 0.0296(3) Uani 1 1 d D . . . .
H5 H 0.5774(17) 0.2280(5) 0.8933(16) 0.036 Uiso 1 1 d D U . . .
B9 B 0.56618(19) 0.33185(7) 1.02458(19) 0.0300(3) Uani 1 1 d D . . . .
H9A H 0.5284(17) 0.3131(6) 1.1026(15) 0.036 Uiso 1 1 d D U . . .
H1 H 0.5146(18) 0.3034(7) 0.6540(17) 0.040(4) Uiso 1 1 d . . . . .
H2 H 0.6934(18) 0.3947(7) 0.7088(17) 0.037(4) 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
C2 C1 1.6279(18) . ?
C2 B3 1.7489(18) . ?
C2 B7 1.6917(19) . ?
C2 B11 1.701(2) . ?
C2 B6 1.722(2) . ?
C2 H2 0.956(15) . ?
C1 B3 1.7409(18) . ?
C1 B6 1.727(2) . ?
C1 B4 1.694(2) . ?
C1 B5 1.699(2) . ?
C1 H1 0.978(15) . ?
C3 C4 1.3485(16) . ?
C3 C11 1.4945(17) . ?
C3 B3 1.5717(19) . ?
C4 H4 0.9500 . ?
C4 C5 1.4772(17) . ?
C5 C6 1.4044(17) . ?
C5 C10 1.3995(19) . ?
C6 H6 0.9500 . ?
C6 C7 1.3940(18) . ?
C7 H7 0.9500 . ?
C7 C8 1.381(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.3896(19) . ?
C9 H9 0.9500 . ?
C9 C10 1.3893(19) . ?
C10 H10 0.9500 . ?
C11 C12 1.3909(18) . ?
C11 C16 1.3992(17) . ?
C12 H12 0.9500 . ?
C12 C13 1.3914(19) . ?
C13 H13 0.9500 . ?
C13 C14 1.380(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.378(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.388(2) . ?
C16 H16 0.9500 . ?
B3 B7 1.790(2) . ?
B3 B4 1.788(2) . ?
B3 B8 1.773(2) . ?
B7 H7A 1.107(10) . ?
B7 B11 1.786(2) . ?
B7 B8 1.773(2) . ?
B7 B12 1.773(2) . ?
B11 H11 1.086(11) . ?
B11 B6 1.777(2) . ?
B11 B12 1.771(2) . ?
B11 B10 1.783(2) . ?
B6 H6A 1.087(11) . ?
B6 B10 1.763(2) . ?
B6 B5 1.779(2) . ?
B4 H4A 1.099(11) . ?
B4 B8 1.775(2) . ?
B4 B5 1.784(2) . ?
B4 B9 1.771(2) . ?
B8 H8A 1.117(14) . ?
B8 B12 1.789(2) . ?
B8 B9 1.789(2) . ?
B12 H12A 1.101(11) . ?
B12 B10 1.793(2) . ?
B12 B9 1.785(2) . ?
B10 H10A 1.092(11) . ?
B10 B5 1.775(2) . ?
B10 B9 1.785(2) . ?
B5 H5 1.106(11) . ?
B5 B9 1.775(2) . ?
B9 H9A 1.096(11) . ?

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
C1 C2 B3 61.95(7) . . ?
C1 C2 B7 111.27(10) . . ?
C1 C2 B11 111.60(10) . . ?
C1 C2 B6 62.00(8) . . ?
C1 C2 H2 115.3(9) . . ?
B3 C2 H2 114.1(9) . . ?
B7 C2 B3 62.66(8) . . ?
B7 C2 B11 63.52(9) . . ?
B7 C2 B6 115.40(10) . . ?
B7 C2 H2 122.4(9) . . ?
B11 C2 B3 116.01(10) . . ?
B11 C2 B6 62.54(9) . . ?
B11 C2 H2 122.7(9) . . ?
B6 C2 B3 116.25(10) . . ?
B6 C2 H2 115.4(9) . . ?
C2 C1 B3 62.44(8) . . ?
C2 C1 B6 61.67(8) . . ?
C2 C1 B4 111.62(10) . . ?
C2 C1 B5 111.55(10) . . ?
C2 C1 H1 117.3(9) . . ?
B3 C1 H1 115.4(9) . . ?
B6 C1 B3 116.40(10) . . ?
B6 C1 H1 115.4(9) . . ?
B4 C1 B3 62.74(8) . . ?
B4 C1 B6 115.33(11) . . ?
B4 C1 B5 63.45(9) . . ?
B4 C1 H1 121.2(9) . . ?
B5 C1 B3 116.16(10) . . ?
B5 C1 B6 62.57(9) . . ?
B5 C1 H1 120.5(9) . . ?
C4 C3 C11 123.42(12) . . ?
C4 C3 B3 118.15(11) . . ?
C11 C3 B3 118.42(10) . . ?
C3 C4 H4 114.8 . . ?
C3 C4 C5 130.48(13) . . ?
C5 C4 H4 114.8 . . ?
C6 C5 C4 117.58(12) . . ?
C10 C5 C4 124.45(11) . . ?
C10 C5 C6 117.93(12) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 C5 120.95(13) . . ?
C7 C6 H6 119.5 . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.19(12) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 120.2 . . ?
C7 C8 C9 119.62(13) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.50(13) . . ?
C10 C9 H9 119.8 . . ?
C5 C10 H10 119.6 . . ?
C9 C10 C5 120.79(12) . . ?
C9 C10 H10 119.6 . . ?
C12 C11 C3 120.41(11) . . ?
C12 C11 C16 118.30(12) . . ?
C16 C11 C3 121.26(12) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.73(13) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.27(14) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.2 . . ?
C15 C14 C13 119.69(14) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.47(13) . . ?
C16 C15 H15 119.8 . . ?
C11 C16 H16 119.7 . . ?
C15 C16 C11 120.53(14) . . ?
C15 C16 H16 119.7 . . ?
C2 B3 B7 57.11(8) . . ?
C2 B3 B4 101.94(9) . . ?
C2 B3 B8 102.44(10) . . ?
C1 B3 C2 55.61(7) . . ?
C1 B3 B7 101.83(10) . . ?
C1 B3 B4 57.34(8) . . ?
C1 B3 B8 102.64(10) . . ?
C3 B3 C2 121.09(10) . . ?
C3 B3 C1 120.59(11) . . ?
C3 B3 B7 125.36(10) . . ?
C3 B3 B4 124.52(11) . . ?
C3 B3 B8 130.37(10) . . ?
B4 B3 B7 106.44(10) . . ?
B8 B3 B7 59.67(8) . . ?
B8 B3 B4 59.80(9) . . ?
C2 B7 B3 60.23(8) . . ?
C2 B7 H7A 117.8(7) . . ?
C2 B7 B11 58.49(8) . . ?
C2 B7 B8 104.83(10) . . ?
C2 B7 B12 104.22(10) . . ?
B3 B7 H7A 117.4(7) . . ?
B11 B7 B3 109.84(10) . . ?
B11 B7 H7A 119.0(7) . . ?
B8 B7 B3 59.70(9) . . ?
B8 B7 H7A 127.6(7) . . ?
B8 B7 B11 108.46(10) . . ?
B8 B7 B12 60.60(9) . . ?
B12 B7 B3 109.01(10) . . ?
B12 B7 H7A 128.2(8) . . ?
B12 B7 B11 59.69(8) . . ?
C2 B11 B7 57.99(8) . . ?
C2 B11 H11 118.5(8) . . ?
C2 B11 B6 59.31(8) . . ?
C2 B11 B12 103.91(11) . . ?
C2 B11 B10 104.26(10) . . ?
B7 B11 H11 120.1(8) . . ?
B6 B11 B7 108.17(11) . . ?
B6 B11 H11 118.1(8) . . ?
B6 B11 B10 59.38(9) . . ?
B12 B11 B7 59.79(9) . . ?
B12 B11 H11 128.3(8) . . ?
B12 B11 B6 108.12(11) . . ?
B12 B11 B10 60.60(8) . . ?
B10 B11 B7 108.11(10) . . ?
B10 B11 H11 127.1(8) . . ?
C2 B6 C1 56.32(7) . . ?
C2 B6 B11 58.15(8) . . ?
C2 B6 H6A 118.1(8) . . ?
C2 B6 B10 104.23(10) . . ?
C2 B6 B5 103.56(10) . . ?
C1 B6 B11 103.59(10) . . ?
C1 B6 H6A 116.9(8) . . ?
C1 B6 B10 103.87(10) . . ?
C1 B6 B5 57.93(9) . . ?
B11 B6 H6A 125.7(8) . . ?
B11 B6 B5 108.07(11) . . ?
B10 B6 B11 60.49(9) . . ?
B10 B6 H6A 132.4(8) . . ?
B10 B6 B5 60.15(9) . . ?
B5 B6 H6A 123.4(8) . . ?
C1 B4 B3 59.92(8) . . ?
C1 B4 H4A 118.2(7) . . ?
C1 B4 B8 104.49(10) . . ?
C1 B4 B5 58.41(8) . . ?
C1 B4 B9 104.19(10) . . ?
B3 B4 H4A 117.4(7) . . ?
B8 B4 B3 59.68(8) . . ?
B8 B4 H4A 127.4(7) . . ?
B8 B4 B5 108.52(11) . . ?
B5 B4 B3 109.63(10) . . ?
B5 B4 H4A 119.2(7) . . ?
B9 B4 B3 108.98(11) . . ?
B9 B4 H4A 128.1(8) . . ?
B9 B4 B8 60.59(9) . . ?
B9 B4 B5 59.92(9) . . ?
B3 B8 B4 60.52(8) . . ?
B3 B8 H8A 118.8(7) . . ?
B3 B8 B12 109.02(10) . . ?
B3 B8 B9 108.84(10) . . ?
B7 B8 B3 60.63(8) . . ?
B7 B8 B4 107.75(10) . . ?
B7 B8 H8A 121.7(7) . . ?
B7 B8 B12 59.70(9) . . ?
B7 B8 B9 107.48(11) . . ?
B4 B8 H8A 121.2(7) . . ?
B4 B8 B12 107.49(10) . . ?
B4 B8 B9 59.57(9) . . ?
B12 B8 H8A 123.4(7) . . ?
B12 B8 B9 59.85(9) . . ?
B9 B8 H8A 123.2(7) . . ?
B7 B12 B8 59.70(8) . . ?
B7 B12 H12A 120.2(7) . . ?
B7 B12 B10 108.25(10) . . ?
B7 B12 B9 107.65(11) . . ?
B11 B12 B7 60.52(9) . . ?
B11 B12 B8 108.41(11) . . ?
B11 B12 H12A 120.1(8) . . ?
B11 B12 B10 60.04(8) . . ?
B11 B12 B9 107.94(11) . . ?
B8 B12 H12A 121.9(8) . . ?
B8 B12 B10 108.21(11) . . ?
B10 B12 H12A 122.4(8) . . ?
B9 B12 B8 60.07(9) . . ?
B9 B12 H12A 123.8(8) . . ?
B9 B12 B10 59.86(8) . . ?
B11 B10 B12 59.37(8) . . ?
B11 B10 H10A 122.1(7) . . ?
B11 B10 B9 107.39(10) . . ?
B6 B10 B11 60.14(9) . . ?
B6 B10 B12 107.74(10) . . ?
B6 B10 H10A 120.6(7) . . ?
B6 B10 B5 60.37(9) . . ?
B6 B10 B9 108.14(11) . . ?
B12 B10 H10A 123.1(8) . . ?
B5 B10 B11 107.98(11) . . ?
B5 B10 B12 107.61(11) . . ?
B5 B10 H10A 121.1(8) . . ?
B5 B10 B9 59.81(9) . . ?
B9 B10 B12 59.84(9) . . ?
B9 B10 H10A 122.4(7) . . ?
C1 B5 B6 59.50(8) . . ?
C1 B5 B4 58.14(8) . . ?
C1 B5 B10 104.55(10) . . ?
C1 B5 H5 119.0(8) . . ?
C1 B5 B9 103.78(10) . . ?
B6 B5 B4 108.44(10) . . ?
B6 B5 H5 118.9(7) . . ?
B4 B5 H5 119.6(8) . . ?
B10 B5 B6 59.48(9) . . ?
B10 B5 B4 108.17(10) . . ?
B10 B5 H5 127.0(8) . . ?
B9 B5 B6 107.88(11) . . ?
B9 B5 B4 59.67(9) . . ?
B9 B5 B10 60.38(9) . . ?
B9 B5 H5 127.7(7) . . ?
B4 B9 B8 59.84(9) . . ?
B4 B9 B12 107.88(10) . . ?
B4 B9 B10 108.32(10) . . ?
B4 B9 B5 60.41(9) . . ?
B4 B9 H9A 120.0(8) . . ?
B8 B9 H9A 122.2(8) . . ?
B12 B9 B8 60.07(9) . . ?
B12 B9 B10 60.30(9) . . ?
B12 B9 H9A 123.9(8) . . ?
B10 B9 B8 108.56(10) . . ?
B10 B9 H9A 122.0(8) . . ?
B5 B9 B8 108.32(11) . . ?
B5 B9 B12 107.98(10) . . ?
B5 B9 B10 59.81(8) . . ?
B5 B9 H9A 119.8(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 C1 B3 C3 108.80(12) . . . . ?
C2 C1 B3 B7 -35.35(9) . . . . ?
C2 C1 B3 B4 -137.43(11) . . . . ?
C2 C1 B3 B8 -96.55(10) . . . . ?
C2 C1 B6 B11 35.58(9) . . . . ?
C2 C1 B6 B10 98.04(10) . . . . ?
C2 C1 B6 B5 138.59(10) . . . . ?
C2 C1 B4 B3 40.18(10) . . . . ?
C2 C1 B4 B8 -1.03(14) . . . . ?
C2 C1 B4 B5 -104.11(11) . . . . ?
C2 C1 B4 B9 -63.78(12) . . . . ?
C2 C1 B5 B6 -38.76(10) . . . . ?
C2 C1 B5 B4 104.21(11) . . . . ?
C2 C1 B5 B10 1.62(13) . . . . ?
C2 C1 B5 B9 64.09(12) . . . . ?
C2 B3 B7 B11 -32.18(9) . . . . ?
C2 B3 B7 B8 -132.50(10) . . . . ?
C2 B3 B7 B12 -95.87(11) . . . . ?
C2 B3 B4 C1 -34.79(9) . . . . ?
C2 B3 B4 B8 97.57(10) . . . . ?
C2 B3 B4 B5 -2.93(14) . . . . ?
C2 B3 B4 B9 60.96(12) . . . . ?
C2 B3 B8 B7 39.35(9) . . . . ?
C2 B3 B8 B4 -96.70(10) . . . . ?
C2 B3 B8 B12 3.10(12) . . . . ?
C2 B3 B8 B9 -60.57(12) . . . . ?
C2 B7 B11 B6 -32.98(10) . . . . ?
C2 B7 B11 B12 -133.79(11) . . . . ?
C2 B7 B11 B10 -95.81(11) . . . . ?
C2 B7 B8 B3 -41.46(9) . . . . ?
C2 B7 B8 B4 -2.08(14) . . . . ?
C2 B7 B8 B12 98.19(11) . . . . ?
C2 B7 B8 B9 60.74(13) . . . . ?
C2 B7 B12 B11 39.41(10) . . . . ?
C2 B7 B12 B8 -99.22(11) . . . . ?
C2 B7 B12 B10 1.64(14) . . . . ?
C2 B7 B12 B9 -61.63(12) . . . . ?
C2 B11 B6 C1 -34.75(9) . . . . ?
C2 B11 B6 B10 -133.17(10) . . . . ?
C2 B11 B6 B5 -95.03(11) . . . . ?
C2 B11 B12 B7 -39.09(9) . . . . ?
C2 B11 B12 B8 -2.12(13) . . . . ?
C2 B11 B12 B10 98.73(11) . . . . ?
C2 B11 B12 B9 61.46(13) . . . . ?
C2 B11 B10 B6 40.32(9) . . . . ?
C2 B11 B10 B12 -98.13(11) . . . . ?
C2 B11 B10 B5 2.10(13) . . . . ?
C2 B11 B10 B9 -61.01(13) . . . . ?
C2 B6 B10 B11 -39.72(9) . . . . ?
C2 B6 B10 B12 -2.91(13) . . . . ?
C2 B6 B10 B5 97.67(10) . . . . ?
C2 B6 B10 B9 60.32(12) . . . . ?
C2 B6 B5 C1 34.49(9) . . . . ?
C2 B6 B5 B4 1.85(14) . . . . ?
C2 B6 B5 B10 -98.81(11) . . . . ?
C2 B6 B5 B9 -61.28(13) . . . . ?
C1 C2 B3 C3 -107.90(12) . . . . ?
C1 C2 B3 B7 137.60(11) . . . . ?
C1 C2 B3 B4 35.60(9) . . . . ?
C1 C2 B3 B8 96.93(10) . . . . ?
C1 C2 B7 B3 -39.69(10) . . . . ?
C1 C2 B7 B11 104.33(11) . . . . ?
C1 C2 B7 B8 1.50(14) . . . . ?
C1 C2 B7 B12 64.32(13) . . . . ?
C1 C2 B11 B7 -103.81(11) . . . . ?
C1 C2 B11 B6 39.21(10) . . . . ?
C1 C2 B11 B12 -63.82(12) . . . . ?
C1 C2 B11 B10 -1.14(13) . . . . ?
C1 C2 B6 B11 -138.26(11) . . . . ?
C1 C2 B6 B10 -97.36(11) . . . . ?
C1 C2 B6 B5 -35.21(10) . . . . ?
C1 B3 B7 C2 34.65(9) . . . . ?
C1 B3 B7 B11 2.47(13) . . . . ?
C1 B3 B7 B8 -97.85(10) . . . . ?
C1 B3 B7 B12 -61.22(12) . . . . ?
C1 B3 B4 B8 132.36(11) . . . . ?
C1 B3 B4 B5 31.86(10) . . . . ?
C1 B3 B4 B9 95.76(11) . . . . ?
C1 B3 B8 B7 96.44(10) . . . . ?
C1 B3 B8 B4 -39.61(9) . . . . ?
C1 B3 B8 B12 60.19(12) . . . . ?
C1 B3 B8 B9 -3.47(13) . . . . ?
C1 B6 B10 B11 -97.95(10) . . . . ?
C1 B6 B10 B12 -61.13(13) . . . . ?
C1 B6 B10 B5 39.44(9) . . . . ?
C1 B6 B10 B9 2.10(13) . . . . ?
C1 B6 B5 B4 -32.63(10) . . . . ?
C1 B6 B5 B10 -133.30(10) . . . . ?
C1 B6 B5 B9 -95.77(11) . . . . ?
C1 B4 B8 B3 41.33(9) . . . . ?
C1 B4 B8 B7 1.91(13) . . . . ?
C1 B4 B8 B12 -61.05(12) . . . . ?
C1 B4 B8 B9 -98.33(11) . . . . ?
C1 B4 B5 B6 33.17(10) . . . . ?
C1 B4 B5 B10 96.17(11) . . . . ?
C1 B4 B5 B9 133.53(11) . . . . ?
C1 B4 B9 B8 98.85(10) . . . . ?
C1 B4 B9 B12 61.38(12) . . . . ?
C1 B4 B9 B10 -2.42(13) . . . . ?
C1 B4 B9 B5 -39.57(9) . . . . ?
C1 B5 B9 B4 39.35(9) . . . . ?
C1 B5 B9 B8 2.16(14) . . . . ?
C1 B5 B9 B12 -61.42(13) . . . . ?
C1 B5 B9 B10 -99.10(11) . . . . ?
C3 C4 C5 C6 -158.32(13) . . . . ?
C3 C4 C5 C10 24.0(2) . . . . ?
C3 C11 C12 C13 179.06(12) . . . . ?
C3 C11 C16 C15 -178.62(11) . . . . ?
C3 B3 B7 C2 -107.17(13) . . . . ?
C3 B3 B7 B11 -139.35(12) . . . . ?
C3 B3 B7 B8 120.33(13) . . . . ?
C3 B3 B7 B12 156.96(11) . . . . ?
C3 B3 B4 C1 107.03(13) . . . . ?
C3 B3 B4 B8 -120.61(13) . . . . ?
C3 B3 B4 B5 138.89(12) . . . . ?
C3 B3 B4 B9 -157.22(11) . . . . ?
C3 B3 B8 B7 -112.49(14) . . . . ?
C3 B3 B8 B4 111.46(14) . . . . ?
C3 B3 B8 B12 -148.74(12) . . . . ?
C3 B3 B8 B9 147.60(12) . . . . ?
C4 C3 C11 C12 69.85(16) . . . . ?
C4 C3 C11 C16 -112.01(14) . . . . ?
C4 C3 B3 C2 -114.37(13) . . . . ?
C4 C3 B3 C1 179.82(11) . . . . ?
C4 C3 B3 B7 -44.83(16) . . . . ?
C4 C3 B3 B4 110.56(14) . . . . ?
C4 C3 B3 B8 33.07(18) . . . . ?
C4 C5 C6 C7 -179.48(11) . . . . ?
C4 C5 C10 C9 179.47(12) . . . . ?
C5 C6 C7 C8 0.44(19) . . . . ?
C6 C5 C10 C9 1.78(19) . . . . ?
C6 C7 C8 C9 0.63(19) . . . . ?
C7 C8 C9 C10 -0.5(2) . . . . ?
C8 C9 C10 C5 -0.8(2) . . . . ?
C10 C5 C6 C7 -1.62(18) . . . . ?
C11 C3 C4 C5 3.2(2) . . . . ?
C11 C3 B3 C2 64.45(14) . . . . ?
C11 C3 B3 C1 -1.37(16) . . . . ?
C11 C3 B3 B7 133.98(12) . . . . ?
C11 C3 B3 B4 -70.62(15) . . . . ?
C11 C3 B3 B8 -148.11(12) . . . . ?
C11 C12 C13 C14 -0.8(2) . . . . ?
C12 C11 C16 C15 -0.44(18) . . . . ?
C12 C13 C14 C15 0.2(2) . . . . ?
C13 C14 C15 C16 0.2(2) . . . . ?
C14 C15 C16 C11 -0.1(2) . . . . ?
C16 C11 C12 C13 0.86(19) . . . . ?
B3 C2 C1 B6 -148.32(11) . . . . ?
B3 C2 C1 B4 -40.31(10) . . . . ?
B3 C2 C1 B5 -109.18(11) . . . . ?
B3 C2 B7 B11 144.02(10) . . . . ?
B3 C2 B7 B8 41.19(9) . . . . ?
B3 C2 B7 B12 104.01(11) . . . . ?
B3 C2 B11 B7 -35.50(10) . . . . ?
B3 C2 B11 B6 107.52(11) . . . . ?
B3 C2 B11 B12 4.48(13) . . . . ?
B3 C2 B11 B10 67.17(12) . . . . ?
B3 C2 B6 C1 31.12(10) . . . . ?
B3 C2 B6 B11 -107.15(12) . . . . ?
B3 C2 B6 B10 -66.25(13) . . . . ?
B3 C2 B6 B5 -4.09(14) . . . . ?
B3 C1 B6 C2 -31.32(10) . . . . ?
B3 C1 B6 B11 4.26(14) . . . . ?
B3 C1 B6 B10 66.72(13) . . . . ?
B3 C1 B6 B5 107.27(12) . . . . ?
B3 C1 B4 B8 -41.21(9) . . . . ?
B3 C1 B4 B5 -144.29(11) . . . . ?
B3 C1 B4 B9 -103.96(11) . . . . ?
B3 C1 B5 B6 -107.65(11) . . . . ?
B3 C1 B5 B4 35.32(10) . . . . ?
B3 C1 B5 B10 -67.27(13) . . . . ?
B3 C1 B5 B9 -4.80(14) . . . . ?
B3 C3 C4 C5 -178.06(11) . . . . ?
B3 C3 C11 C12 -108.90(13) . . . . ?
B3 C3 C11 C16 69.24(15) . . . . ?
B3 B7 B11 C2 32.83(9) . . . . ?
B3 B7 B11 B6 -0.15(14) . . . . ?
B3 B7 B11 B12 -100.96(11) . . . . ?
B3 B7 B11 B10 -62.97(13) . . . . ?
B3 B7 B8 B4 39.37(10) . . . . ?
B3 B7 B8 B12 139.65(10) . . . . ?
B3 B7 B8 B9 102.20(11) . . . . ?
B3 B7 B12 B11 102.39(11) . . . . ?
B3 B7 B12 B8 -36.25(9) . . . . ?
B3 B7 B12 B10 64.61(13) . . . . ?
B3 B7 B12 B9 1.35(13) . . . . ?
B3 B4 B8 B7 -39.42(10) . . . . ?
B3 B4 B8 B12 -102.39(11) . . . . ?
B3 B4 B8 B9 -139.67(10) . . . . ?
B3 B4 B5 C1 -32.43(10) . . . . ?
B3 B4 B5 B6 0.73(15) . . . . ?
B3 B4 B5 B10 63.74(14) . . . . ?
B3 B4 B5 B9 101.10(12) . . . . ?
B3 B4 B9 B8 36.22(9) . . . . ?
B3 B4 B9 B12 -1.25(13) . . . . ?
B3 B4 B9 B10 -65.05(12) . . . . ?
B3 B4 B9 B5 -102.20(11) . . . . ?
B3 B8 B12 B7 36.64(9) . . . . ?
B3 B8 B12 B11 -0.69(13) . . . . ?
B3 B8 B12 B10 -64.29(12) . . . . ?
B3 B8 B12 B9 -101.24(11) . . . . ?
B3 B8 B9 B4 -36.54(10) . . . . ?
B3 B8 B9 B12 101.54(11) . . . . ?
B3 B8 B9 B10 64.32(14) . . . . ?
B3 B8 B9 B5 0.90(15) . . . . ?
B7 C2 C1 B3 40.00(10) . . . . ?
B7 C2 C1 B6 -108.32(11) . . . . ?
B7 C2 C1 B4 -0.30(14) . . . . ?
B7 C2 C1 B5 -69.18(13) . . . . ?
B7 C2 B3 C1 -137.60(11) . . . . ?
B7 C2 B3 C3 114.50(12) . . . . ?
B7 C2 B3 B4 -101.99(11) . . . . ?
B7 C2 B3 B8 -40.67(9) . . . . ?
B7 C2 B11 B6 143.02(10) . . . . ?
B7 C2 B11 B12 39.99(9) . . . . ?
B7 C2 B11 B10 102.67(11) . . . . ?
B7 C2 B6 C1 101.68(11) . . . . ?
B7 C2 B6 B11 -36.58(11) . . . . ?
B7 C2 B6 B10 4.32(14) . . . . ?
B7 C2 B6 B5 66.47(13) . . . . ?
B7 B3 B4 C1 -93.71(10) . . . . ?
B7 B3 B4 B8 38.65(10) . . . . ?
B7 B3 B4 B5 -61.84(13) . . . . ?
B7 B3 B4 B9 2.05(13) . . . . ?
B7 B3 B8 B4 -136.05(11) . . . . ?
B7 B3 B8 B12 -36.25(10) . . . . ?
B7 B3 B8 B9 -99.91(12) . . . . ?
B7 B11 B6 C2 32.47(9) . . . . ?
B7 B11 B6 C1 -2.28(13) . . . . ?
B7 B11 B6 B10 -100.71(11) . . . . ?
B7 B11 B6 B5 -62.57(13) . . . . ?
B7 B11 B12 B8 36.97(10) . . . . ?
B7 B11 B12 B10 137.82(11) . . . . ?
B7 B11 B12 B9 100.55(12) . . . . ?
B7 B11 B10 B6 100.82(11) . . . . ?
B7 B11 B10 B12 -37.62(10) . . . . ?
B7 B11 B10 B5 62.60(13) . . . . ?
B7 B11 B10 B9 -0.50(14) . . . . ?
B7 B8 B12 B11 -37.33(10) . . . . ?
B7 B8 B12 B10 -100.93(11) . . . . ?
B7 B8 B12 B9 -137.88(11) . . . . ?
B7 B8 B9 B4 -100.70(11) . . . . ?
B7 B8 B9 B12 37.39(10) . . . . ?
B7 B8 B9 B10 0.16(15) . . . . ?
B7 B8 B9 B5 -63.25(14) . . . . ?
B7 B12 B10 B11 37.99(10) . . . . ?
B7 B12 B10 B6 0.84(14) . . . . ?
B7 B12 B10 B5 -62.87(13) . . . . ?
B7 B12 B10 B9 -100.24(12) . . . . ?
B7 B12 B9 B4 -0.06(13) . . . . ?
B7 B12 B9 B8 -37.42(10) . . . . ?
B7 B12 B9 B10 101.26(11) . . . . ?
B7 B12 B9 B5 63.79(13) . . . . ?
B11 C2 C1 B3 108.87(11) . . . . ?
B11 C2 C1 B6 -39.45(10) . . . . ?
B11 C2 C1 B4 68.57(13) . . . . ?
B11 C2 C1 B5 -0.31(13) . . . . ?
B11 C2 B3 C1 -101.78(11) . . . . ?
B11 C2 B3 C3 150.32(11) . . . . ?
B11 C2 B3 B7 35.82(10) . . . . ?
B11 C2 B3 B4 -66.17(12) . . . . ?
B11 C2 B3 B8 -4.85(13) . . . . ?
B11 C2 B7 B3 -144.02(10) . . . . ?
B11 C2 B7 B8 -102.83(11) . . . . ?
B11 C2 B7 B12 -40.01(10) . . . . ?
B11 C2 B6 C1 138.26(11) . . . . ?
B11 C2 B6 B10 40.90(10) . . . . ?
B11 C2 B6 B5 103.05(11) . . . . ?
B11 B7 B8 B3 -102.67(11) . . . . ?
B11 B7 B8 B4 -63.30(13) . . . . ?
B11 B7 B8 B12 36.98(10) . . . . ?
B11 B7 B8 B9 -0.47(14) . . . . ?
B11 B7 B12 B8 -138.63(11) . . . . ?
B11 B7 B12 B10 -37.77(10) . . . . ?
B11 B7 B12 B9 -101.04(11) . . . . ?
B11 B6 B10 B12 36.82(10) . . . . ?
B11 B6 B10 B5 137.39(11) . . . . ?
B11 B6 B10 B9 100.05(11) . . . . ?
B11 B6 B5 C1 95.00(11) . . . . ?
B11 B6 B5 B4 62.37(14) . . . . ?
B11 B6 B5 B10 -38.30(10) . . . . ?
B11 B6 B5 B9 -0.77(14) . . . . ?
B11 B12 B10 B6 -37.15(10) . . . . ?
B11 B12 B10 B5 -100.86(12) . . . . ?
B11 B12 B10 B9 -138.23(12) . . . . ?
B11 B12 B9 B4 -63.97(13) . . . . ?
B11 B12 B9 B8 -101.34(12) . . . . ?
B11 B12 B9 B10 37.34(10) . . . . ?
B11 B12 B9 B5 -0.12(14) . . . . ?
B11 B10 B5 C1 -2.27(13) . . . . ?
B11 B10 B5 B6 38.11(10) . . . . ?
B11 B10 B5 B4 -63.01(13) . . . . ?
B11 B10 B5 B9 -100.06(11) . . . . ?
B11 B10 B9 B4 63.65(13) . . . . ?
B11 B10 B9 B8 0.21(15) . . . . ?
B11 B10 B9 B12 -36.91(10) . . . . ?
B11 B10 B9 B5 101.07(12) . . . . ?
B6 C2 C1 B3 148.32(11) . . . . ?
B6 C2 C1 B4 108.01(12) . . . . ?
B6 C2 C1 B5 39.14(10) . . . . ?
B6 C2 B3 C1 -31.13(11) . . . . ?
B6 C2 B3 C3 -139.04(12) . . . . ?
B6 C2 B3 B7 106.46(12) . . . . ?
B6 C2 B3 B4 4.47(14) . . . . ?
B6 C2 B3 B8 65.79(12) . . . . ?
B6 C2 B7 B3 -107.80(11) . . . . ?
B6 C2 B7 B11 36.22(10) . . . . ?
B6 C2 B7 B8 -66.61(13) . . . . ?
B6 C2 B7 B12 -3.79(14) . . . . ?
B6 C2 B11 B7 -143.02(10) . . . . ?
B6 C2 B11 B12 -103.04(11) . . . . ?
B6 C2 B11 B10 -40.36(9) . . . . ?
B6 C1 B3 C2 31.07(10) . . . . ?
B6 C1 B3 C3 139.88(11) . . . . ?
B6 C1 B3 B7 -4.28(14) . . . . ?
B6 C1 B3 B4 -106.35(13) . . . . ?
B6 C1 B3 B8 -65.47(13) . . . . ?
B6 C1 B4 B3 108.03(11) . . . . ?
B6 C1 B4 B8 66.82(13) . . . . ?
B6 C1 B4 B5 -36.26(10) . . . . ?
B6 C1 B4 B9 4.06(13) . . . . ?
B6 C1 B5 B4 142.96(11) . . . . ?
B6 C1 B5 B10 40.38(9) . . . . ?
B6 C1 B5 B9 102.85(11) . . . . ?
B6 B11 B12 B7 -100.91(11) . . . . ?
B6 B11 B12 B8 -63.94(13) . . . . ?
B6 B11 B12 B10 36.91(10) . . . . ?
B6 B11 B12 B9 -0.36(14) . . . . ?
B6 B11 B10 B12 -138.45(11) . . . . ?
B6 B11 B10 B5 -38.22(10) . . . . ?
B6 B11 B10 B9 -101.33(12) . . . . ?
B6 B10 B5 C1 -40.38(9) . . . . ?
B6 B10 B5 B4 -101.12(11) . . . . ?
B6 B10 B5 B9 -138.18(11) . . . . ?
B6 B10 B9 B4 0.17(14) . . . . ?
B6 B10 B9 B8 -63.27(14) . . . . ?
B6 B10 B9 B12 -100.40(11) . . . . ?
B6 B10 B9 B5 37.59(10) . . . . ?
B6 B5 B9 B4 101.32(11) . . . . ?
B6 B5 B9 B8 64.13(14) . . . . ?
B6 B5 B9 B12 0.55(14) . . . . ?
B6 B5 B9 B10 -37.13(10) . . . . ?
B4 C1 B3 C2 137.43(11) . . . . ?
B4 C1 B3 C3 -113.77(13) . . . . ?
B4 C1 B3 B7 102.08(11) . . . . ?
B4 C1 B3 B8 40.88(10) . . . . ?
B4 C1 B6 C2 -102.00(11) . . . . ?
B4 C1 B6 B11 -66.42(13) . . . . ?
B4 C1 B6 B10 -3.96(14) . . . . ?
B4 C1 B6 B5 36.59(10) . . . . ?
B4 C1 B5 B6 -142.96(11) . . . . ?
B4 C1 B5 B10 -102.59(11) . . . . ?
B4 C1 B5 B9 -40.11(10) . . . . ?
B4 B3 B7 C2 93.78(10) . . . . ?
B4 B3 B7 B11 61.61(12) . . . . ?
B4 B3 B7 B8 -38.71(9) . . . . ?
B4 B3 B7 B12 -2.09(13) . . . . ?
B4 B3 B8 B7 136.05(11) . . . . ?
B4 B3 B8 B12 99.80(11) . . . . ?
B4 B3 B8 B9 36.14(10) . . . . ?
B4 B8 B12 B7 100.72(11) . . . . ?
B4 B8 B12 B11 63.39(12) . . . . ?
B4 B8 B12 B10 -0.21(14) . . . . ?
B4 B8 B12 B9 -37.15(10) . . . . ?
B4 B8 B9 B12 138.08(11) . . . . ?
B4 B8 B9 B10 100.86(12) . . . . ?
B4 B8 B9 B5 37.44(10) . . . . ?
B4 B5 B9 B8 -37.19(10) . . . . ?
B4 B5 B9 B12 -100.77(11) . . . . ?
B4 B5 B9 B10 -138.45(10) . . . . ?
B8 B3 B7 C2 132.50(10) . . . . ?
B8 B3 B7 B11 100.32(11) . . . . ?
B8 B3 B7 B12 36.62(9) . . . . ?
B8 B3 B4 C1 -132.36(11) . . . . ?
B8 B3 B4 B5 -100.50(12) . . . . ?
B8 B3 B4 B9 -36.60(10) . . . . ?
B8 B7 B11 C2 96.42(11) . . . . ?
B8 B7 B11 B6 63.43(13) . . . . ?
B8 B7 B11 B12 -37.38(10) . . . . ?
B8 B7 B11 B10 0.61(14) . . . . ?
B8 B7 B12 B11 138.63(11) . . . . ?
B8 B7 B12 B10 100.86(12) . . . . ?
B8 B7 B12 B9 37.59(10) . . . . ?
B8 B4 B5 C1 -95.96(11) . . . . ?
B8 B4 B5 B6 -62.79(14) . . . . ?
B8 B4 B5 B10 0.21(14) . . . . ?
B8 B4 B5 B9 37.57(10) . . . . ?
B8 B4 B9 B12 -37.47(10) . . . . ?
B8 B4 B9 B10 -101.26(11) . . . . ?
B8 B4 B9 B5 -138.42(11) . . . . ?
B8 B12 B10 B11 101.19(12) . . . . ?
B8 B12 B10 B6 64.04(13) . . . . ?
B8 B12 B10 B5 0.34(14) . . . . ?
B8 B12 B10 B9 -37.04(10) . . . . ?
B8 B12 B9 B4 37.37(10) . . . . ?
B8 B12 B9 B10 138.68(11) . . . . ?
B8 B12 B9 B5 101.22(12) . . . . ?
B12 B7 B11 C2 133.79(11) . . . . ?
B12 B7 B11 B6 100.81(11) . . . . ?
B12 B7 B11 B10 37.98(10) . . . . ?
B12 B7 B8 B3 -139.65(10) . . . . ?
B12 B7 B8 B4 -100.28(11) . . . . ?
B12 B7 B8 B9 -37.45(10) . . . . ?
B12 B11 B6 C2 95.73(11) . . . . ?
B12 B11 B6 C1 60.98(13) . . . . ?
B12 B11 B6 B10 -37.45(10) . . . . ?
B12 B11 B6 B5 0.70(14) . . . . ?
B12 B11 B10 B6 138.45(11) . . . . ?
B12 B11 B10 B5 100.23(12) . . . . ?
B12 B11 B10 B9 37.12(11) . . . . ?
B12 B8 B9 B4 -138.08(11) . . . . ?
B12 B8 B9 B10 -37.23(10) . . . . ?
B12 B8 B9 B5 -100.64(12) . . . . ?
B12 B10 B5 C1 60.41(12) . . . . ?
B12 B10 B5 B6 100.79(11) . . . . ?
B12 B10 B5 B4 -0.34(14) . . . . ?
B12 B10 B5 B9 -37.39(10) . . . . ?
B12 B10 B9 B4 100.57(11) . . . . ?
B12 B10 B9 B8 37.13(11) . . . . ?
B12 B10 B9 B5 137.98(11) . . . . ?
B10 B11 B6 C2 133.17(10) . . . . ?
B10 B11 B6 C1 98.43(11) . . . . ?
B10 B11 B6 B5 38.14(10) . . . . ?
B10 B11 B12 B7 -137.82(11) . . . . ?
B10 B11 B12 B8 -100.85(11) . . . . ?
B10 B11 B12 B9 -37.27(10) . . . . ?
B10 B6 B5 C1 133.30(10) . . . . ?
B10 B6 B5 B4 100.66(12) . . . . ?
B10 B6 B5 B9 37.52(10) . . . . ?
B10 B12 B9 B4 -101.31(11) . . . . ?
B10 B12 B9 B8 -138.68(11) . . . . ?
B10 B12 B9 B5 -37.47(10) . . . . ?
B10 B5 B9 B4 138.45(10) . . . . ?
B10 B5 B9 B8 101.26(12) . . . . ?
B10 B5 B9 B12 37.68(10) . . . . ?
B5 C1 B3 C2 101.85(12) . . . . ?
B5 C1 B3 C3 -149.34(11) . . . . ?
B5 C1 B3 B7 66.50(12) . . . . ?
B5 C1 B3 B4 -35.57(11) . . . . ?
B5 C1 B3 B8 5.31(13) . . . . ?
B5 C1 B6 C2 -138.59(10) . . . . ?
B5 C1 B6 B11 -103.02(11) . . . . ?
B5 C1 B6 B10 -40.56(10) . . . . ?
B5 C1 B4 B3 144.29(11) . . . . ?
B5 C1 B4 B8 103.08(12) . . . . ?
B5 C1 B4 B9 40.33(10) . . . . ?
B5 B6 B10 B11 -137.39(11) . . . . ?
B5 B6 B10 B12 -100.58(11) . . . . ?
B5 B6 B10 B9 -37.34(10) . . . . ?
B5 B4 B8 B3 102.39(11) . . . . ?
B5 B4 B8 B7 62.96(13) . . . . ?
B5 B4 B8 B12 0.00(14) . . . . ?
B5 B4 B8 B9 -37.28(10) . . . . ?
B5 B4 B9 B8 138.42(11) . . . . ?
B5 B4 B9 B12 100.95(11) . . . . ?
B5 B4 B9 B10 37.15(10) . . . . ?
B5 B10 B9 B4 -37.42(10) . . . . ?
B5 B10 B9 B8 -100.86(12) . . . . ?
B5 B10 B9 B12 -137.98(11) . . . . ?
B9 B4 B8 B3 139.67(10) . . . . ?
B9 B4 B8 B7 100.24(11) . . . . ?
B9 B4 B8 B12 37.28(10) . . . . ?
B9 B4 B5 C1 -133.53(11) . . . . ?
B9 B4 B5 B6 -100.36(12) . . . . ?
B9 B4 B5 B10 -37.36(10) . . . . ?
B9 B8 B12 B7 137.88(11) . . . . ?
B9 B8 B12 B11 100.55(11) . . . . ?
B9 B8 B12 B10 36.95(10) . . . . ?
B9 B12 B10 B11 138.23(12) . . . . ?
B9 B12 B10 B6 101.08(12) . . . . ?
B9 B12 B10 B5 37.37(10) . . . . ?
B9 B10 B5 C1 97.79(10) . . . . ?
B9 B10 B5 B6 138.18(11) . . . . ?
B9 B10 B5 B4 37.05(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5h
_database_code_depnum_ccdc_archive 'CCDC 2032822'
loop_
_audit_author_name
_audit_author_address
'Zaozao Qiu'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2020-12-04 deposited with the CCDC.	2020-12-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT097_mo_dm17067_0m       
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       0.97 eA-3  
RESPONSE: ...
This may be due to the disorder of t-butyl groups.
;
_vrf_PLAT220_mo_dm17067_0m       
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.5 Ratio 
RESPONSE: ...
This may be due to the disorder of t-butyl groups.
;
_vrf_PLAT242_mo_dm17067_0m       
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of       C13A Check 
RESPONSE: ...
This is a false alarm due to the presence of terminal t-butyl moiety.
;
# end Validation Reply Form
_audit_creation_date             2020-10-22
_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         'C46 H62 B10'
_chemical_formula_sum            'C46 H62 B10'
_chemical_formula_weight         723.05
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   12.911(2)
_cell_length_b                   15.490(3)
_cell_length_c                   26.271(4)
_cell_angle_alpha                96.100(3)
_cell_angle_beta                 90.510(3)
_cell_angle_gamma                112.747(3)
_cell_volume                     4810.8(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2584
_cell_measurement_temperature    200
_cell_measurement_theta_max      21.46
_cell_measurement_theta_min      2.60
_shelx_estimated_absorpt_T_max   0.997
_shelx_estimated_absorpt_T_min   0.990
_exptl_absorpt_coefficient_mu    0.053
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6362
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1139 before and 0.0447 after correction. The Ratio of minimum to maximum transmission is 0.8533. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.998
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.2
_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  0.0598
_diffrn_reflns_av_unetI/netI     0.1150
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            33880
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         1.550
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7534
_reflns_number_total             17903
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX DUO'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.971
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1111
_refine_ls_number_reflns         17903
_refine_ls_number_restraints     264
_refine_ls_R_factor_all          0.1856
_refine_ls_R_factor_gt           0.0831
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1392P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2159
_refine_ls_wR_factor_ref         0.2827
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C23A \\sim C25B \\sim C24B \\sim C25A \\sim C26B \\sim C24A \\sim C26A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.08
C43A \\sim C44A \\sim C45A \\sim C46A: within 2A with sigma of 0.005 and sigma
for terminal atoms of 0.01
C33 \\sim C36' \\sim C34 \\sim C34' \\sim C35 \\sim C35' \\sim C36: within 1.7A
with sigma of 0.01 and sigma for terminal atoms of 0.08
Uanis(C25B) \\sim Ueq, Uanis(C26B) \\sim Ueq, Uanis(C24B) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(C26A) \\sim Ueq, Uanis(C25A) \\sim Ueq, Uanis(C24A) \\sim Ueq,
Uanis(C34A) \\sim Ueq, Uanis(C35A) \\sim Ueq, Uanis(C36A) \\sim Ueq, Uanis(C36)
\\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C45A) \\sim Ueq,
Uanis(C44A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C35B) \\sim Ueq, Uanis(C34B) \\sim Ueq, Uanis(C36') \\sim Ueq,
Uanis(C35') \\sim Ueq, Uanis(C34') \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
3. Others
 Fixed Sof: C34(0.75) H34G(0.75) H34H(0.75) H34I(0.75) C35(0.75) H35G(0.75)
 H35H(0.75) H35I(0.75) C36(0.75) H36G(0.75) H36H(0.75) H36I(0.75) C24A(0.75)
 H24A(0.75) H24B(0.75) H24C(0.75) C25A(0.75) H25A(0.75) H25B(0.75) H25C(0.75)
 C26A(0.75) H26A(0.75) H26B(0.75) H26C(0.75) C34A(0.75) H34A(0.75) H34B(0.75)
 H34C(0.75) C35A(0.75) H35A(0.75) H35B(0.75) H35C(0.75) C36A(0.75) H36A(0.75)
 H36B(0.75) H36C(0.75) C35B(0.25) H35D(0.25) H35E(0.25) H35F(0.25) C36'(0.25)
 H36J(0.25) H36K(0.25) H36L(0.25) C35'(0.25) H35J(0.25) H35K(0.25) H35L(0.25)
 C36B(0.25) H36D(0.25) H36E(0.25) H36F(0.25) C34'(0.25) H34J(0.25) H34K(0.25)
 H34L(0.25) C34B(0.25) H34D(0.25) H34E(0.25) H34F(0.25) C25B(0.25) H25D(0.25)
 H25E(0.25) H25F(0.25) C24B(0.25) H24D(0.25) H24E(0.25) H24F(0.25) C26B(0.25)
 H26D(0.25) H26E(0.25) H26F(0.25)
4.a Me refined with riding coordinates:
 C34(H34G,H34H,H34I), C35(H35G,H35H,H35I), C36(H36G,H36H,H36I), C34A(H34A,H34B,
 H34C), C35A(H35A,H35B,H35C), C36A(H36A,H36B,H36C), C35B(H35D,H35E,H35F),
 C36'(H36J,H36K,H36L), C35'(H35J,H35K,H35L), C36B(H36D,H36E,H36F), C34'(H34J,
 H34K,H34L), C34B(H34D,H34E,H34F)
4.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C11(H11), C12(H12), C18(H18), C19(H19), C21(H21), C22(H22),
 C28(H28), C29(H29), C31(H31), C32(H32), C38(H38), C39(H39), C41(H41), C42(H42),
  C8A(H8A), C9A(H9A), C11A(H11A), C12A(H12A), C18A(H18A), C19A(H19A),
 C21A(H21A), C22A(H22A), C28A(H28A), C29A(H29A), C31A(H31A), C32A(H32A),
 C38A(H38A), C39A(H39A), C41A(H41A), C42A(H42A)
4.c Idealised Me refined as rotating group:
 C14(H14D,H14E,H14F), C15(H15D,H15E,H15F), C16(H16D,H16E,H16F), C24(H24G,H24H,
 H24I), C25(H25G,H25H,H25I), C26(H26G,H26H,H26I), C44(H44D,H44E,H44F), C45(H45D,
 H45E,H45F), C46(H46D,H46E,H46F), C14A(H14A,H14B,H14C), C15A(H15A,H15B,H15C),
 C16A(H16A,H16B,H16C), C24A(H24A,H24B,H24C), C25A(H25A,H25B,H25C), C26A(H26A,
 H26B,H26C), C44A(H44A,H44B,H44C), C45A(H45A,H45B,H45C), C46A(H46A,H46B,H46C),
 C25B(H25D,H25E,H25F), C24B(H24D,H24E,H24F), C26B(H26D,H26E,H26F)
4.d Boron cage BH refined with riding coordinates:
 C2(H2), C1(H1), B5(H5), B6(H6), B4(H4), B8(H8B), B9(H9B), B10(H10), B11(H11C),
  B12(H12C), C2A(H2A), C1A(H1A), B5A(H5A), B6A(H6A), B4A(H4A), B8A(H8AA),
 B9A(H9AA), B10A(H10A), B11A(H11B), B12A(H12B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C2 C 0.2749(3) 0.5335(2) 0.26384(12) 0.035 Uani 1 1 d . . . . .
H2 H 0.1857 0.5132 0.2749 0.041 Uiso 1 1 calc R . . . .
C1 C 0.3120(3) 0.5717(2) 0.20878(13) 0.041 Uani 1 1 d . . . . .
H1 H 0.2494 0.5775 0.1810 0.049 Uiso 1 1 calc R . . . .
C3 C 0.2025(3) 0.3670(2) 0.19455(12) 0.035 Uani 1 1 d . . . . .
C4 C 0.1573(3) 0.2971(2) 0.22459(12) 0.036 Uani 1 1 d . . . . .
C5 C 0.1934(3) 0.3018(2) 0.27958(12) 0.033 Uani 1 1 d . . . . .
C6 C 0.2764(3) 0.3770(2) 0.30650(11) 0.032 Uani 1 1 d . . . . .
C7 C 0.3048(3) 0.3738(2) 0.36169(12) 0.035 Uani 1 1 d . . . . .
C8 C 0.4084(3) 0.3751(2) 0.37690(13) 0.041 Uani 1 1 d . . . . .
H8 H 0.4656 0.3862 0.3530 0.049 Uiso 1 1 calc R . . . .
C9 C 0.4301(3) 0.3606(3) 0.42614(13) 0.044 Uani 1 1 d . . . . .
H9 H 0.5013 0.3598 0.4349 0.053 Uiso 1 1 calc R . . . .
C10 C 0.3510(3) 0.3470(2) 0.46330(12) 0.039 Uani 1 1 d . . . . .
C11 C 0.2497(3) 0.3516(3) 0.44848(13) 0.046 Uani 1 1 d . . . . .
H11 H 0.1943 0.3449 0.4730 0.055 Uiso 1 1 calc R . . . .
C12 C 0.2271(3) 0.3655(2) 0.39900(12) 0.041 Uani 1 1 d . . . . .
H12 H 0.1575 0.3694 0.3905 0.049 Uiso 1 1 calc R . . . .
C13 C 0.3711(4) 0.3227(3) 0.51626(13) 0.050 Uani 1 1 d . . . . .
C14 C 0.3173(6) 0.3637(6) 0.55681(17) 0.144 Uani 1 1 d . . . . .
H14D H 0.3309 0.4287 0.5514 0.216 Uiso 1 1 calc GR . . . .
H14E H 0.3496 0.3630 0.5906 0.216 Uiso 1 1 calc GR . . . .
H14F H 0.2362 0.3262 0.5550 0.216 Uiso 1 1 calc GR . . . .
C15 C 0.3210(7) 0.2158(4) 0.5138(2) 0.137 Uani 1 1 d . . . . .
H15D H 0.2393 0.1922 0.5074 0.205 Uiso 1 1 calc GR . . . .
H15E H 0.3380 0.1975 0.5465 0.205 Uiso 1 1 calc GR . . . .
H15F H 0.3536 0.1888 0.4860 0.205 Uiso 1 1 calc GR . . . .
C16 C 0.4965(5) 0.3574(5) 0.53179(19) 0.121 Uani 1 1 d . . . . .
H16D H 0.5326 0.3275 0.5072 0.182 Uiso 1 1 calc GR . . . .
H16E H 0.5055 0.3410 0.5661 0.182 Uiso 1 1 calc GR . . . .
H16F H 0.5316 0.4260 0.5320 0.182 Uiso 1 1 calc GR . . . .
C17 C 0.1343(3) 0.2147(2) 0.30564(12) 0.036 Uani 1 1 d . . . . .
C18 C 0.1935(3) 0.1637(2) 0.32195(13) 0.044 Uani 1 1 d . . . . .
H18 H 0.2709 0.1821 0.3153 0.053 Uiso 1 1 calc R . . . .
C19 C 0.1407(4) 0.0859(3) 0.34797(14) 0.056 Uani 1 1 d . . . . .
H19 H 0.1834 0.0524 0.3587 0.067 Uiso 1 1 calc R . . . .
C20 C 0.0298(4) 0.0557(3) 0.35875(14) 0.055 Uani 1 1 d . . . . .
C21 C -0.0295(4) 0.1067(3) 0.34158(15) 0.057 Uani 1 1 d . . . . .
H21 H -0.1069 0.0881 0.3483 0.068 Uiso 1 1 calc R . . . .
C22 C 0.0215(3) 0.1834(3) 0.31510(13) 0.047 Uani 1 1 d . . . . .
H22 H -0.0220 0.2153 0.3032 0.056 Uiso 1 1 calc R . . . .
C23 C -0.0300(5) -0.0279(3) 0.38868(19) 0.084 Uani 1 1 d . . . . .
C24 C -0.0775(6) 0.0071(4) 0.4357(2) 0.123 Uani 1 1 d . . . . .
H24G H -0.0161 0.0562 0.4572 0.185 Uiso 1 1 calc GR . . . .
H24H H -0.1160 -0.0455 0.4554 0.185 Uiso 1 1 calc GR . . . .
H24I H -0.1311 0.0332 0.4247 0.185 Uiso 1 1 calc GR . . . .
C25 C 0.0503(6) -0.0698(4) 0.4078(2) 0.131 Uani 1 1 d . . . . .
H25G H 0.0861 -0.0896 0.3786 0.196 Uiso 1 1 calc GR . . . .
H25H H 0.0082 -0.1245 0.4255 0.196 Uiso 1 1 calc GR . . . .
H25I H 0.1082 -0.0223 0.4317 0.196 Uiso 1 1 calc GR . . . .
C26 C -0.1232(6) -0.1040(4) 0.3549(2) 0.135 Uani 1 1 d . . . . .
H26G H -0.1780 -0.0790 0.3442 0.203 Uiso 1 1 calc GR . . . .
H26H H -0.1606 -0.1577 0.3740 0.203 Uiso 1 1 calc GR . . . .
H26I H -0.0913 -0.1246 0.3245 0.203 Uiso 1 1 calc GR . . . .
C27 C 0.0632(3) 0.2062(2) 0.20295(12) 0.037 Uani 1 1 d . . . . .
C28 C 0.0807(3) 0.1232(3) 0.19344(15) 0.051 Uani 1 1 d . . . . .
H28 H 0.1554 0.1258 0.1955 0.061 Uiso 1 1 calc R . . . .
C29 C -0.0072(4) 0.0368(3) 0.18106(16) 0.062 Uani 1 1 d . . . . .
H29 H 0.0089 -0.0181 0.1742 0.075 Uiso 1 1 calc R . . . .
C30 C -0.1186(4) 0.0280(3) 0.17840(16) 0.055 Uani 1 1 d . . . . .
C31 C -0.1345(4) 0.1119(3) 0.18422(15) 0.056 Uani 1 1 d . . . . .
H31 H -0.2085 0.1098 0.1796 0.067 Uiso 1 1 calc R . . . .
C32 C -0.0463(3) 0.1991(3) 0.19657(14) 0.049 Uani 1 1 d . . . . .
H32 H -0.0617 0.2546 0.2007 0.059 Uiso 1 1 calc R . . . .
C33 C -0.2195(4) -0.0701(3) 0.1725(2) 0.076 Uani 1 1 d . U . . .
C34 C -0.2280(9) -0.1107(7) 0.2239(4) 0.154 Uani 0.75 1 d . U P A 1
H34G H -0.1559 -0.1135 0.2335 0.230 Uiso 0.75 1 calc R . P A 1
H34H H -0.2464 -0.0703 0.2505 0.230 Uiso 0.75 1 calc R . P A 1
H34I H -0.2872 -0.1744 0.2206 0.230 Uiso 0.75 1 calc R . P A 1
C35 C -0.3266(6) -0.0666(6) 0.1591(4) 0.116 Uani 0.75 1 d . U P A 1
H35G H -0.3421 -0.0228 0.1847 0.174 Uiso 0.75 1 calc R . P A 1
H35H H -0.3241 -0.0449 0.1252 0.174 Uiso 0.75 1 calc R . P A 1
H35I H -0.3861 -0.1296 0.1583 0.174 Uiso 0.75 1 calc R . P A 1
C36 C -0.1963(8) -0.1364(6) 0.1337(4) 0.150 Uani 0.75 1 d . U P A 1
H36G H -0.1237 -0.1389 0.1427 0.224 Uiso 0.75 1 calc R . P A 1
H36H H -0.2559 -0.1995 0.1329 0.224 Uiso 0.75 1 calc R . P A 1
H36I H -0.1939 -0.1147 0.0999 0.224 Uiso 0.75 1 calc R . P A 1
C37 C 0.1689(3) 0.3557(2) 0.13897(12) 0.037 Uani 1 1 d . . . . .
C38 C 0.0985(4) 0.3949(3) 0.12105(13) 0.054 Uani 1 1 d . . . . .
H38 H 0.0676 0.4279 0.1447 0.065 Uiso 1 1 calc R . . . .
C39 C 0.0719(4) 0.3870(3) 0.06903(13) 0.056 Uani 1 1 d . . . . .
H39 H 0.0219 0.4140 0.0583 0.068 Uiso 1 1 calc R . . . .
C40 C 0.1149(3) 0.3417(3) 0.03230(12) 0.041 Uani 1 1 d . . . . .
C41 C 0.1868(4) 0.3041(3) 0.05084(13) 0.055 Uani 1 1 d . . . . .
H41 H 0.2190 0.2723 0.0271 0.065 Uiso 1 1 calc R . . . .
C42 C 0.2136(4) 0.3109(3) 0.10256(13) 0.054 Uani 1 1 d . . . . .
H42 H 0.2640 0.2843 0.1133 0.065 Uiso 1 1 calc R . . . .
C43 C 0.0862(4) 0.3314(3) -0.02522(13) 0.052 Uani 1 1 d . . . . .
C44 C 0.0274(6) 0.2272(4) -0.04465(19) 0.119 Uani 1 1 d . . . . .
H44D H 0.0717 0.1930 -0.0333 0.178 Uiso 1 1 calc GR . . . .
H44E H 0.0202 0.2192 -0.0822 0.178 Uiso 1 1 calc GR . . . .
H44F H -0.0475 0.2022 -0.0310 0.178 Uiso 1 1 calc GR . . . .
C45 C 0.0081(6) 0.3769(6) -0.03778(18) 0.136 Uani 1 1 d . . . . .
H45D H -0.0571 0.3559 -0.0166 0.203 Uiso 1 1 calc GR . . . .
H45E H -0.0171 0.3594 -0.0741 0.203 Uiso 1 1 calc GR . . . .
H45F H 0.0472 0.4456 -0.0309 0.203 Uiso 1 1 calc GR . . . .
C46 C 0.1923(4) 0.3695(4) -0.05408(15) 0.085 Uani 1 1 d . . . . .
H46D H 0.2283 0.4380 -0.0454 0.128 Uiso 1 1 calc GR . . . .
H46E H 0.1733 0.3545 -0.0910 0.128 Uiso 1 1 calc GR . . . .
H46F H 0.2440 0.3407 -0.0445 0.128 Uiso 1 1 calc GR . . . .
B3 B 0.3010(4) 0.4590(3) 0.21657(14) 0.036 Uani 1 1 d . . . . .
B7 B 0.3457(3) 0.4683(3) 0.28167(14) 0.033 Uani 1 1 d . . . . .
B5 B 0.3784(4) 0.5863(3) 0.31021(16) 0.040 Uani 1 1 d . . . . .
H5 H 0.3648 0.6011 0.3517 0.048 Uiso 1 1 calc R . . . .
B6 B 0.3528(4) 0.6527(3) 0.26403(17) 0.044 Uani 1 1 d . . . . .
H6 H 0.3221 0.7105 0.2742 0.053 Uiso 1 1 calc R . . . .
B4 B 0.4148(4) 0.5389(3) 0.18514(16) 0.044 Uani 1 1 d . . . . .
H4 H 0.4265 0.5238 0.1434 0.053 Uiso 1 1 calc R . . . .
B8 B 0.4412(4) 0.4746(3) 0.23266(15) 0.041 Uani 1 1 d . . . . .
H8B H 0.4722 0.4170 0.2226 0.049 Uiso 1 1 calc R . . . .
B9 B 0.4873(4) 0.5519(3) 0.29076(16) 0.041 Uani 1 1 d . . . . .
H9B H 0.5479 0.5449 0.3191 0.050 Uiso 1 1 calc R . . . .
B10 B 0.4911(4) 0.6651(3) 0.27930(17) 0.049 Uani 1 1 d . . . . .
H10 H 0.5540 0.7324 0.2998 0.058 Uiso 1 1 calc R . . . .
B11 B 0.4448(4) 0.6556(3) 0.21394(18) 0.050 Uani 1 1 d . . . . .
H11C H 0.4756 0.7166 0.1908 0.060 Uiso 1 1 calc R . . . .
B12 B 0.5284(4) 0.5951(3) 0.23097(17) 0.048 Uani 1 1 d . . . . .
H12C H 0.6175 0.6169 0.2196 0.057 Uiso 1 1 calc R . . . .
C2A C 0.7730(3) 0.5365(2) 0.25936(12) 0.033 Uani 1 1 d . . . . .
H2A H 0.6817 0.5134 0.2674 0.040 Uiso 1 1 calc R . . . .
C1A C 0.8163(3) 0.5719(2) 0.20420(13) 0.038 Uani 1 1 d . . . . .
H1A H 0.7564 0.5730 0.1734 0.045 Uiso 1 1 calc R . . . .
C3A C 0.7133(3) 0.3683(2) 0.19453(11) 0.031 Uani 1 1 d . . . . .
C4A C 0.6623(3) 0.3020(2) 0.22602(12) 0.032 Uani 1 1 d . . . . .
C5A C 0.6989(3) 0.3097(2) 0.28138(12) 0.033 Uani 1 1 d . . . . .
C6A C 0.7786(3) 0.3868(2) 0.30849(11) 0.033 Uani 1 1 d . . . . .
C7A C 0.8079(3) 0.3828(2) 0.36337(12) 0.033 Uani 1 1 d . . . . .
C8A C 0.8701(4) 0.3332(3) 0.37651(14) 0.055 Uani 1 1 d . . . . .
H8A H 0.9013 0.3055 0.3501 0.066 Uiso 1 1 calc R . . . .
C9A C 0.8887(4) 0.3223(3) 0.42663(14) 0.057 Uani 1 1 d . . . . .
H9A H 0.9324 0.2873 0.4338 0.068 Uiso 1 1 calc R . . . .
C10A C 0.8456(3) 0.3608(2) 0.46674(13) 0.043 Uani 1 1 d . . . . .
C11A C 0.7862(4) 0.4141(3) 0.45361(13) 0.052 Uani 1 1 d . . . . .
H11A H 0.7567 0.4434 0.4800 0.062 Uiso 1 1 calc R . . . .
C12A C 0.7689(3) 0.4255(3) 0.40312(13) 0.047 Uani 1 1 d . . . . .
H12A H 0.7294 0.4636 0.3957 0.056 Uiso 1 1 calc R . . . .
C13A C 0.8576(4) 0.3416(3) 0.52193(14) 0.057 Uani 1 1 d . . . . .
C14A C 0.8443(6) 0.4176(5) 0.56024(16) 0.127 Uani 1 1 d . . . . .
H14A H 0.8991 0.4797 0.5541 0.191 Uiso 1 1 calc GR . . . .
H14B H 0.8572 0.4060 0.5952 0.191 Uiso 1 1 calc GR . . . .
H14C H 0.7680 0.4160 0.5560 0.191 Uiso 1 1 calc GR . . . .
C15A C 0.7681(6) 0.2467(5) 0.5287(2) 0.162 Uani 1 1 d . . . . .
H15A H 0.6954 0.2523 0.5320 0.243 Uiso 1 1 calc GR . . . .
H15B H 0.7872 0.2246 0.5596 0.243 Uiso 1 1 calc GR . . . .
H15C H 0.7637 0.2015 0.4988 0.243 Uiso 1 1 calc GR . . . .
C16A C 0.9725(4) 0.3423(4) 0.53411(17) 0.099 Uani 1 1 d . . . . .
H16A H 0.9849 0.2940 0.5106 0.148 Uiso 1 1 calc GR . . . .
H16B H 0.9770 0.3288 0.5695 0.148 Uiso 1 1 calc GR . . . .
H16C H 1.0302 0.4044 0.5301 0.148 Uiso 1 1 calc GR . . . .
C17A C 0.6433(3) 0.2223(2) 0.30767(12) 0.035 Uani 1 1 d . . . . .
C18A C 0.6654(3) 0.1423(3) 0.29600(14) 0.048 Uani 1 1 d . . . . .
H18A H 0.7157 0.1409 0.2701 0.057 Uiso 1 1 calc R . . . .
C19A C 0.6150(4) 0.0641(3) 0.32177(15) 0.058 Uani 1 1 d . . . . .
H19A H 0.6327 0.0104 0.3131 0.070 Uiso 1 1 calc R . . . .
C20A C 0.5401(3) 0.0609(2) 0.35947(14) 0.048 Uani 1 1 d . . . . .
C21A C 0.5198(4) 0.1415(3) 0.37096(14) 0.055 Uani 1 1 d . . . . .
H21A H 0.4693 0.1427 0.3968 0.066 Uiso 1 1 calc R . . . .
C22A C 0.5702(4) 0.2210(3) 0.34617(13) 0.050 Uani 1 1 d . . . . .
H22A H 0.5543 0.2754 0.3557 0.060 Uiso 1 1 calc R . . . .
C23A C 0.4847(4) -0.0260(3) 0.38768(17) 0.069 Uani 1 1 d . U . . .
C24A C 0.5771(8) -0.0426(6) 0.4166(4) 0.129 Uani 0.75 1 d . U P B 1
H24A H 0.6279 -0.0551 0.3921 0.194 Uiso 0.75 1 calc GR . P B 1
H24B H 0.5431 -0.0969 0.4357 0.194 Uiso 0.75 1 calc GR . P B 1
H24C H 0.6195 0.0135 0.4405 0.194 Uiso 0.75 1 calc GR . P B 1
C25A C 0.4119(7) -0.0078(5) 0.4308(3) 0.097 Uani 0.75 1 d . U P B 1
H25A H 0.4575 0.0489 0.4537 0.146 Uiso 0.75 1 calc GR . P B 1
H25B H 0.3844 -0.0620 0.4504 0.146 Uiso 0.75 1 calc GR . P B 1
H25C H 0.3479 0.0014 0.4156 0.146 Uiso 0.75 1 calc GR . P B 1
C26A C 0.4140(9) -0.1083(5) 0.3514(3) 0.125 Uani 0.75 1 d . U P B 1
H26A H 0.3525 -0.0955 0.3363 0.187 Uiso 0.75 1 calc GR . P B 1
H26B H 0.3828 -0.1640 0.3697 0.187 Uiso 0.75 1 calc GR . P B 1
H26C H 0.4600 -0.1200 0.3241 0.187 Uiso 0.75 1 calc GR . P B 1
C27A C 0.5639(3) 0.2129(2) 0.20704(12) 0.034 Uani 1 1 d . . . . .
C28A C 0.5724(3) 0.1438(2) 0.17124(13) 0.044 Uani 1 1 d . . . . .
H28A H 0.6390 0.1570 0.1530 0.053 Uiso 1 1 calc R . . . .
C29A C 0.4855(4) 0.0556(3) 0.16154(15) 0.055 Uani 1 1 d . . . . .
H29A H 0.4943 0.0100 0.1368 0.066 Uiso 1 1 calc R . . . .
C30A C 0.3857(3) 0.0319(3) 0.18696(15) 0.049 Uani 1 1 d . . . . .
C31A C 0.3747(3) 0.1035(3) 0.21932(15) 0.052 Uani 1 1 d . . . . .
H31A H 0.3056 0.0920 0.2352 0.062 Uiso 1 1 calc R . . . .
C32A C 0.4607(3) 0.1918(3) 0.22953(14) 0.043 Uani 1 1 d . . . . .
H32A H 0.4493 0.2388 0.2523 0.052 Uiso 1 1 calc R . . . .
C33A C 0.2955(4) -0.0692(3) 0.18133(18) 0.066 Uani 1 1 d . . . . .
C34A C 0.3485(6) -0.1374(4) 0.1905(3) 0.093 Uani 0.75 1 d . U P C 1
H34A H 0.3902 -0.1182 0.2239 0.140 Uiso 0.75 1 calc R . P C 1
H34B H 0.2897 -0.2008 0.1902 0.140 Uiso 0.75 1 calc R . P C 1
H34C H 0.4002 -0.1379 0.1635 0.140 Uiso 0.75 1 calc R . P C 1
C35A C 0.2053(6) -0.0816(5) 0.2234(3) 0.098 Uani 0.75 1 d . U P C 1
H35A H 0.2429 -0.0676 0.2576 0.148 Uiso 0.75 1 calc R . P C 1
H35B H 0.1678 -0.0382 0.2197 0.148 Uiso 0.75 1 calc R . P C 1
H35C H 0.1494 -0.1466 0.2188 0.148 Uiso 0.75 1 calc R . P C 1
C36A C 0.2314(7) -0.0914(5) 0.1326(3) 0.111 Uani 0.75 1 d . U P C 1
H36A H 0.1994 -0.0441 0.1292 0.166 Uiso 0.75 1 calc R . P C 1
H36B H 0.2810 -0.0910 0.1045 0.166 Uiso 0.75 1 calc R . P C 1
H36C H 0.1705 -0.1539 0.1311 0.166 Uiso 0.75 1 calc R . P C 1
C37A C 0.6779(3) 0.3563(2) 0.13878(11) 0.032 Uani 1 1 d . . . . .
C38A C 0.5801(3) 0.3627(3) 0.12204(14) 0.053 Uani 1 1 d . . . . .
H38A H 0.5308 0.3722 0.1466 0.063 Uiso 1 1 calc R . . . .
C39A C 0.5518(4) 0.3558(3) 0.07050(15) 0.061 Uani 1 1 d . . . . .
H39A H 0.4839 0.3614 0.0607 0.073 Uiso 1 1 calc R . . . .
C40A C 0.6180(3) 0.3411(3) 0.03309(13) 0.051 Uani 1 1 d . . . . .
C41A C 0.7162(4) 0.3341(3) 0.04999(14) 0.061 Uani 1 1 d . . . . .
H41A H 0.7643 0.3228 0.0253 0.074 Uiso 1 1 calc R . . . .
C42A C 0.7464(3) 0.3430(3) 0.10133(13) 0.052 Uani 1 1 d . . . . .
H42A H 0.8158 0.3399 0.1112 0.063 Uiso 1 1 calc R . . . .
C43A C 0.5871(5) 0.3315(4) -0.02392(16) 0.089 Uani 1 1 d . U . . .
C44A C 0.4943(6) 0.3503(7) -0.0367(3) 0.176 Uani 1 1 d . U . . .
H44A H 0.4282 0.3082 -0.0208 0.264 Uiso 1 1 calc GR . . . .
H44B H 0.4808 0.3402 -0.0740 0.264 Uiso 1 1 calc GR . . . .
H44C H 0.5082 0.4160 -0.0241 0.264 Uiso 1 1 calc GR . . . .
C45A C 0.5442(8) 0.2248(6) -0.0446(3) 0.200 Uani 1 1 d . U . . .
H45A H 0.5738 0.1925 -0.0218 0.300 Uiso 1 1 calc GR . . . .
H45B H 0.5701 0.2178 -0.0791 0.300 Uiso 1 1 calc GR . . . .
H45C H 0.4618 0.1970 -0.0458 0.300 Uiso 1 1 calc GR . . . .
C46A C 0.6832(5) 0.3737(5) -0.05507(17) 0.116 Uani 1 1 d . U . . .
H46A H 0.7167 0.4421 -0.0453 0.174 Uiso 1 1 calc GR . . . .
H46B H 0.6579 0.3603 -0.0914 0.174 Uiso 1 1 calc GR . . . .
H46C H 0.7393 0.3471 -0.0493 0.174 Uiso 1 1 calc GR . . . .
B3A B 0.8098(3) 0.4621(3) 0.21624(14) 0.032 Uani 1 1 d . . . . .
B7A B 0.8458(3) 0.4776(3) 0.28319(14) 0.033 Uani 1 1 d . . . . .
B5A B 0.8686(4) 0.5954(3) 0.30786(16) 0.038 Uani 1 1 d . . . . .
H5A H 0.8476 0.6119 0.3480 0.046 Uiso 1 1 calc R . . . .
B6A B 0.8467(4) 0.6561(3) 0.25799(16) 0.041 Uani 1 1 d . . . . .
H6A H 0.8115 0.7118 0.2645 0.049 Uiso 1 1 calc R . . . .
B4A B 0.9263(3) 0.5427(3) 0.18666(15) 0.037 Uani 1 1 d . . . . .
H4A H 0.9450 0.5258 0.1461 0.044 Uiso 1 1 calc R . . . .
B8A B 0.9501(3) 0.4841(3) 0.23727(14) 0.035 Uani 1 1 d . . . . .
H8AA H 0.9857 0.4287 0.2306 0.042 Uiso 1 1 calc R . . . .
B9A B 0.9853(4) 0.5655(3) 0.29445(15) 0.039 Uani 1 1 d . . . . .
H9AA H 1.0436 0.5630 0.3255 0.047 Uiso 1 1 calc R . . . .
B10A B 0.9848(4) 0.6753(3) 0.27875(17) 0.045 Uani 1 1 d . . . . .
H10A H 1.0428 0.7447 0.2993 0.055 Uiso 1 1 calc R . . . .
B11A B 0.9466(4) 0.6601(3) 0.21221(16) 0.042 Uani 1 1 d . . . . .
H11B H 0.9779 0.7197 0.1882 0.051 Uiso 1 1 calc R . . . .
B12A B 1.0328(4) 0.6057(3) 0.23474(16) 0.043 Uani 1 1 d . . . . .
H12B H 1.1239 0.6303 0.2261 0.052 Uiso 1 1 calc R . . . .
C35B C 0.3242(16) -0.1386(12) 0.1347(7) 0.070 Uani 0.25 1 d . U P C 2
H35D H 0.3987 -0.1388 0.1422 0.105 Uiso 0.25 1 calc R . P C 2
H35E H 0.2673 -0.2030 0.1330 0.105 Uiso 0.25 1 calc R . P C 2
H35F H 0.3235 -0.1145 0.1017 0.105 Uiso 0.25 1 calc R . P C 2
C36' C -0.1765(14) -0.1476(9) 0.1787(6) 0.047 Uani 0.25 1 d . U P A 2
H36J H -0.1419 -0.1379 0.2133 0.071 Uiso 0.25 1 calc R . P A 2
H36K H -0.2396 -0.2092 0.1735 0.071 Uiso 0.25 1 calc R . P A 2
H36L H -0.1206 -0.1456 0.1534 0.071 Uiso 0.25 1 calc R . P A 2
C35' C -0.2743(18) -0.0808(13) 0.1198(7) 0.074 Uani 0.25 1 d . U P A 2
H35J H -0.3004 -0.0297 0.1176 0.111 Uiso 0.25 1 calc R . P A 2
H35K H -0.2194 -0.0780 0.0938 0.111 Uiso 0.25 1 calc R . P A 2
H35L H -0.3384 -0.1416 0.1139 0.111 Uiso 0.25 1 calc R . P A 2
C36B C 0.298(2) -0.1143(13) 0.2298(9) 0.093 Uani 0.25 1 d . . P C 2
H36D H 0.3747 -0.1106 0.2370 0.139 Uiso 0.25 1 calc R . P C 2
H36E H 0.2764 -0.0808 0.2587 0.139 Uiso 0.25 1 calc R . P C 2
H36F H 0.2460 -0.1805 0.2250 0.139 Uiso 0.25 1 calc R . P C 2
C34' C -0.2993(14) -0.0675(10) 0.2175(6) 0.051 Uani 0.25 1 d . U P A 2
H34J H -0.2593 -0.0605 0.2505 0.077 Uiso 0.25 1 calc R . P A 2
H34K H -0.3217 -0.0141 0.2160 0.077 Uiso 0.25 1 calc R . P A 2
H34L H -0.3665 -0.1263 0.2138 0.077 Uiso 0.25 1 calc R . P A 2
C34B C 0.1841(16) -0.0719(13) 0.1680(8) 0.072 Uani 0.25 1 d . U P C 2
H34D H 0.1869 -0.0421 0.1367 0.108 Uiso 0.25 1 calc R . P C 2
H34E H 0.1301 -0.1376 0.1623 0.108 Uiso 0.25 1 calc R . P C 2
H34F H 0.1605 -0.0378 0.1961 0.108 Uiso 0.25 1 calc R . P C 2
C25B C 0.5170(16) -0.1146(10) 0.3583(6) 0.058 Uani 0.25 1 d . U P B 2
H25D H 0.5006 -0.1210 0.3213 0.087 Uiso 0.25 1 calc GR . P B 2
H25E H 0.4719 -0.1738 0.3716 0.087 Uiso 0.25 1 calc GR . P B 2
H25F H 0.5971 -0.1003 0.3650 0.087 Uiso 0.25 1 calc GR . P B 2
C24B C 0.358(2) -0.0601(18) 0.3743(10) 0.113 Uani 0.25 1 d . U P B 2
H24D H 0.3301 -0.0132 0.3897 0.169 Uiso 0.25 1 calc GR . P B 2
H24E H 0.3180 -0.1203 0.3877 0.169 Uiso 0.25 1 calc GR . P B 2
H24F H 0.3445 -0.0684 0.3370 0.169 Uiso 0.25 1 calc GR . P B 2
C26B C 0.522(2) -0.0090(15) 0.4400(7) 0.087 Uani 0.25 1 d . U P B 2
H26D H 0.6011 -0.0010 0.4426 0.131 Uiso 0.25 1 calc GR . P B 2
H26E H 0.4764 -0.0626 0.4576 0.131 Uiso 0.25 1 calc GR . P B 2
H26F H 0.5146 0.0483 0.4558 0.131 Uiso 0.25 1 calc GR . P 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
C2 H2 1.1200 . ?
C2 C1 1.627(5) . ?
C2 B3 1.730(5) . ?
C2 B7 1.698(5) . ?
C2 B5 1.689(5) . ?
C2 B6 1.727(5) . ?
C1 H1 1.1200 . ?
C1 B3 1.732(5) . ?
C1 B6 1.745(6) . ?
C1 B4 1.696(5) . ?
C1 B11 1.698(6) . ?
C3 C4 1.356(4) . ?
C3 C37 1.492(4) . ?
C3 B3 1.547(5) . ?
C4 C5 1.500(4) . ?
C4 C27 1.509(5) . ?
C5 C6 1.360(5) . ?
C5 C17 1.510(4) . ?
C6 C7 1.503(4) . ?
C6 B7 1.567(5) . ?
C7 C8 1.385(5) . ?
C7 C12 1.388(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.381(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(5) . ?
C10 C11 1.391(5) . ?
C10 C13 1.525(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.387(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.493(6) . ?
C13 C15 1.521(6) . ?
C13 C16 1.531(7) . ?
C14 H14D 0.9800 . ?
C14 H14E 0.9800 . ?
C14 H14F 0.9800 . ?
C15 H15D 0.9800 . ?
C15 H15E 0.9800 . ?
C15 H15F 0.9800 . ?
C16 H16D 0.9800 . ?
C16 H16E 0.9800 . ?
C16 H16F 0.9800 . ?
C17 C18 1.388(5) . ?
C17 C22 1.380(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.390(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.366(6) . ?
C20 C21 1.396(5) . ?
C20 C23 1.532(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.525(7) . ?
C23 C25 1.527(8) . ?
C23 C26 1.513(8) . ?
C24 H24G 0.9800 . ?
C24 H24H 0.9800 . ?
C24 H24I 0.9800 . ?
C25 H25G 0.9800 . ?
C25 H25H 0.9800 . ?
C25 H25I 0.9800 . ?
C26 H26G 0.9800 . ?
C26 H26H 0.9800 . ?
C26 H26I 0.9800 . ?
C27 C28 1.386(5) . ?
C27 C32 1.383(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.383(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.392(6) . ?
C30 C31 1.385(5) . ?
C30 C33 1.563(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.392(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.538(9) . ?
C33 C35 1.446(8) . ?
C33 C36 1.486(9) . ?
C33 C36' 1.528(14) . ?
C33 C35' 1.512(17) . ?
C33 C34' 1.582(16) . ?
C34 H34G 0.9800 . ?
C34 H34H 0.9800 . ?
C34 H34I 0.9800 . ?
C35 H35G 0.9800 . ?
C35 H35H 0.9800 . ?
C35 H35I 0.9800 . ?
C36 H36G 0.9800 . ?
C36 H36H 0.9800 . ?
C36 H36I 0.9800 . ?
C37 C38 1.377(5) . ?
C37 C42 1.381(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.387(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.378(5) . ?
C40 C41 1.380(5) . ?
C40 C43 1.530(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.382(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.521(6) . ?
C43 C45 1.489(6) . ?
C43 C46 1.513(6) . ?
C44 H44D 0.9800 . ?
C44 H44E 0.9800 . ?
C44 H44F 0.9800 . ?
C45 H45D 0.9800 . ?
C45 H45E 0.9800 . ?
C45 H45F 0.9800 . ?
C46 H46D 0.9800 . ?
C46 H46E 0.9800 . ?
C46 H46F 0.9800 . ?
B3 B7 1.773(5) . ?
B3 B4 1.790(6) . ?
B3 B8 1.772(6) . ?
B7 B5 1.785(6) . ?
B7 B8 1.775(5) . ?
B7 B9 1.781(6) . ?
B5 H5 1.1200 . ?
B5 B6 1.778(6) . ?
B5 B9 1.748(6) . ?
B5 B10 1.768(6) . ?
B6 H6 1.1200 . ?
B6 B10 1.758(6) . ?
B6 B11 1.773(7) . ?
B4 H4 1.1200 . ?
B4 B8 1.785(5) . ?
B4 B11 1.776(7) . ?
B4 B12 1.766(7) . ?
B8 H8B 1.1200 . ?
B8 B9 1.779(6) . ?
B8 B12 1.774(6) . ?
B9 H9B 1.1200 . ?
B9 B10 1.792(6) . ?
B9 B12 1.777(6) . ?
B10 H10 1.1200 . ?
B10 B11 1.785(6) . ?
B10 B12 1.773(7) . ?
B11 H11C 1.1200 . ?
B11 B12 1.763(6) . ?
B12 H12C 1.1200 . ?
C2A H2A 1.1200 . ?
C2A C1A 1.631(4) . ?
C2A B3A 1.731(5) . ?
C2A B7A 1.699(5) . ?
C2A B5A 1.683(5) . ?
C2A B6A 1.729(5) . ?
C1A H1A 1.1200 . ?
C1A B3A 1.735(5) . ?
C1A B6A 1.747(5) . ?
C1A B4A 1.703(5) . ?
C1A B11A 1.702(5) . ?
C3A C4A 1.357(4) . ?
C3A C37A 1.501(4) . ?
C3A B3A 1.549(5) . ?
C4A C5A 1.503(4) . ?
C4A C27A 1.501(5) . ?
C5A C6A 1.359(5) . ?
C5A C17A 1.510(4) . ?
C6A C7A 1.501(4) . ?
C6A B7A 1.561(5) . ?
C7A C8A 1.373(5) . ?
C7A C12A 1.378(5) . ?
C8A H8A 0.9500 . ?
C8A C9A 1.376(5) . ?
C9A H9A 0.9500 . ?
C9A C10A 1.382(5) . ?
C10A C11A 1.391(5) . ?
C10A C13A 1.529(5) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.384(5) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.529(6) . ?
C13A C15A 1.508(7) . ?
C13A C16A 1.511(6) . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C17A C18A 1.380(4) . ?
C17A C22A 1.386(5) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.387(5) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.381(5) . ?
C20A C21A 1.376(5) . ?
C20A C23A 1.533(5) . ?
C21A H21A 0.9500 . ?
C21A C22A 1.387(5) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.526(9) . ?
C23A C25A 1.550(8) . ?
C23A C26A 1.481(9) . ?
C23A C25B 1.696(16) . ?
C23A C24B 1.54(2) . ?
C23A C26B 1.41(2) . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C27A C28A 1.387(5) . ?
C27A C32A 1.396(5) . ?
C28A H28A 0.9500 . ?
C28A C29A 1.387(5) . ?
C29A H29A 0.9500 . ?
C29A C30A 1.394(5) . ?
C30A C31A 1.378(5) . ?
C30A C33A 1.539(5) . ?
C31A H31A 0.9500 . ?
C31A C32A 1.384(5) . ?
C32A H32A 0.9500 . ?
C33A C34A 1.502(7) . ?
C33A C35A 1.583(8) . ?
C33A C36A 1.453(7) . ?
C33A C35B 1.683(17) . ?
C33A C36B 1.52(2) . ?
C33A C34B 1.461(19) . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C36A H36A 0.9800 . ?
C36A H36B 0.9800 . ?
C36A H36C 0.9800 . ?
C37A C38A 1.376(5) . ?
C37A C42A 1.381(5) . ?
C38A H38A 0.9500 . ?
C38A C39A 1.381(5) . ?
C39A H39A 0.9500 . ?
C39A C40A 1.366(5) . ?
C40A C41A 1.387(5) . ?
C40A C43A 1.523(5) . ?
C41A H41A 0.9500 . ?
C41A C42A 1.378(5) . ?
C42A H42A 0.9500 . ?
C43A C44A 1.384(8) . ?
C43A C45A 1.559(9) . ?
C43A C46A 1.463(7) . ?
C44A H44A 0.9800 . ?
C44A H44B 0.9800 . ?
C44A H44C 0.9800 . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
B3A B7A 1.782(5) . ?
B3A B4A 1.789(5) . ?
B3A B8A 1.778(6) . ?
B7A B5A 1.780(5) . ?
B7A B8A 1.796(5) . ?
B7A B9A 1.787(6) . ?
B5A H5A 1.1200 . ?
B5A B6A 1.773(6) . ?
B5A B9A 1.767(6) . ?
B5A B10A 1.776(6) . ?
B6A H6A 1.1200 . ?
B6A B10A 1.762(6) . ?
B6A B11A 1.760(6) . ?
B4A H4A 1.1200 . ?
B4A B8A 1.775(5) . ?
B4A B11A 1.787(6) . ?
B4A B12A 1.763(6) . ?
B8A H8AA 1.1200 . ?
B8A B9A 1.787(6) . ?
B8A B12A 1.779(6) . ?
B9A H9AA 1.1200 . ?
B9A B10A 1.794(6) . ?
B9A B12A 1.776(6) . ?
B10A H10A 1.1200 . ?
B10A B11A 1.778(6) . ?
B10A B12A 1.775(6) . ?
B11A H11B 1.1200 . ?
B11A B12A 1.766(6) . ?
B12A H12B 1.1200 . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
C36' H36J 0.9800 . ?
C36' H36K 0.9800 . ?
C36' H36L 0.9800 . ?
C35' H35J 0.9800 . ?
C35' H35K 0.9800 . ?
C35' H35L 0.9800 . ?
C36B H36D 0.9800 . ?
C36B H36E 0.9800 . ?
C36B H36F 0.9800 . ?
C34' H34J 0.9800 . ?
C34' H34K 0.9800 . ?
C34' H34L 0.9800 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?

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
C1 C2 H2 120.3 . . ?
C1 C2 B3 62.0(2) . . ?
C1 C2 B7 112.0(3) . . ?
C1 C2 B5 112.1(3) . . ?
C1 C2 B6 62.6(2) . . ?
B3 C2 H2 117.0 . . ?
B7 C2 H2 117.9 . . ?
B7 C2 B3 62.3(2) . . ?
B7 C2 B6 116.3(3) . . ?
B5 C2 H2 118.1 . . ?
B5 C2 B3 115.3(3) . . ?
B5 C2 B7 63.6(2) . . ?
B5 C2 B6 62.7(2) . . ?
B6 C2 H2 116.1 . . ?
B6 C2 B3 116.5(3) . . ?
C2 C1 H1 121.2 . . ?
C2 C1 B3 61.9(2) . . ?
C2 C1 B6 61.5(2) . . ?
C2 C1 B4 111.3(3) . . ?
C2 C1 B11 110.6(3) . . ?
B3 C1 H1 116.6 . . ?
B3 C1 B6 115.5(3) . . ?
B6 C1 H1 117.5 . . ?
B4 C1 H1 118.2 . . ?
B4 C1 B3 63.0(2) . . ?
B4 C1 B6 114.6(3) . . ?
B4 C1 B11 63.1(3) . . ?
B11 C1 H1 118.6 . . ?
B11 C1 B3 115.4(3) . . ?
B11 C1 B6 62.0(3) . . ?
C4 C3 C37 122.5(3) . . ?
C4 C3 B3 119.5(3) . . ?
C37 C3 B3 117.7(3) . . ?
C3 C4 C5 124.9(3) . . ?
C3 C4 C27 119.8(3) . . ?
C5 C4 C27 115.2(3) . . ?
C4 C5 C17 116.4(3) . . ?
C6 C5 C4 124.9(3) . . ?
C6 C5 C17 118.7(3) . . ?
C5 C6 C7 120.1(3) . . ?
C5 C6 B7 122.0(3) . . ?
C7 C6 B7 117.9(3) . . ?
C8 C7 C6 121.0(3) . . ?
C8 C7 C12 117.3(3) . . ?
C12 C7 C6 121.6(3) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 C7 121.3(3) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 119.0 . . ?
C8 C9 C10 122.0(3) . . ?
C10 C9 H9 119.0 . . ?
C9 C10 C11 116.2(3) . . ?
C9 C10 C13 122.0(3) . . ?
C11 C10 C13 121.7(3) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 C10 122.0(3) . . ?
C12 C11 H11 119.0 . . ?
C7 C12 H12 119.5 . . ?
C11 C12 C7 120.9(3) . . ?
C11 C12 H12 119.5 . . ?
C10 C13 C16 112.2(3) . . ?
C14 C13 C10 112.0(3) . . ?
C14 C13 C15 109.5(5) . . ?
C14 C13 C16 107.9(5) . . ?
C15 C13 C10 107.3(3) . . ?
C15 C13 C16 107.8(5) . . ?
C13 C14 H14D 109.5 . . ?
C13 C14 H14E 109.5 . . ?
C13 C14 H14F 109.5 . . ?
H14D C14 H14E 109.5 . . ?
H14D C14 H14F 109.5 . . ?
H14E C14 H14F 109.5 . . ?
C13 C15 H15D 109.5 . . ?
C13 C15 H15E 109.5 . . ?
C13 C15 H15F 109.5 . . ?
H15D C15 H15E 109.5 . . ?
H15D C15 H15F 109.5 . . ?
H15E C15 H15F 109.5 . . ?
C13 C16 H16D 109.5 . . ?
C13 C16 H16E 109.5 . . ?
C13 C16 H16F 109.5 . . ?
H16D C16 H16E 109.5 . . ?
H16D C16 H16F 109.5 . . ?
H16E C16 H16F 109.5 . . ?
C18 C17 C5 120.3(3) . . ?
C22 C17 C5 122.3(3) . . ?
C22 C17 C18 117.3(3) . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.6(4) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 118.7 . . ?
C20 C19 C18 122.6(4) . . ?
C20 C19 H19 118.7 . . ?
C19 C20 C21 116.4(4) . . ?
C19 C20 C23 123.9(4) . . ?
C21 C20 C23 119.7(4) . . ?
C20 C21 H21 119.2 . . ?
C22 C21 C20 121.6(4) . . ?
C22 C21 H21 119.2 . . ?
C17 C22 C21 121.4(4) . . ?
C17 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C24 C23 C20 108.3(4) . . ?
C24 C23 C25 107.3(5) . . ?
C25 C23 C20 112.1(5) . . ?
C26 C23 C20 109.7(4) . . ?
C26 C23 C24 110.6(5) . . ?
C26 C23 C25 108.8(5) . . ?
C23 C24 H24G 109.5 . . ?
C23 C24 H24H 109.5 . . ?
C23 C24 H24I 109.5 . . ?
H24G C24 H24H 109.5 . . ?
H24G C24 H24I 109.5 . . ?
H24H C24 H24I 109.5 . . ?
C23 C25 H25G 109.5 . . ?
C23 C25 H25H 109.5 . . ?
C23 C25 H25I 109.5 . . ?
H25G C25 H25H 109.5 . . ?
H25G C25 H25I 109.5 . . ?
H25H C25 H25I 109.5 . . ?
C23 C26 H26G 109.5 . . ?
C23 C26 H26H 109.5 . . ?
C23 C26 H26I 109.5 . . ?
H26G C26 H26H 109.5 . . ?
H26G C26 H26I 109.5 . . ?
H26H C26 H26I 109.5 . . ?
C28 C27 C4 121.1(3) . . ?
C32 C27 C4 122.0(3) . . ?
C32 C27 C28 116.6(3) . . ?
C27 C28 H28 119.0 . . ?
C29 C28 C27 122.1(4) . . ?
C29 C28 H28 119.0 . . ?
C28 C29 H29 119.1 . . ?
C28 C29 C30 121.8(4) . . ?
C30 C29 H29 119.1 . . ?
C29 C30 C33 122.3(4) . . ?
C31 C30 C29 115.6(4) . . ?
C31 C30 C33 122.0(4) . . ?
C30 C31 H31 118.7 . . ?
C30 C31 C32 122.7(4) . . ?
C32 C31 H31 118.7 . . ?
C27 C32 C31 121.0(3) . . ?
C27 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C30 C33 C34' 106.9(6) . . ?
C34 C33 C30 107.7(5) . . ?
C35 C33 C30 114.2(5) . . ?
C35 C33 C34 108.6(7) . . ?
C35 C33 C36 109.3(6) . . ?
C36 C33 C30 110.0(5) . . ?
C36 C33 C34 106.7(7) . . ?
C36' C33 C30 109.7(7) . . ?
C36' C33 C34' 108.5(9) . . ?
C35' C33 C30 105.8(8) . . ?
C35' C33 C36' 112.3(9) . . ?
C35' C33 C34' 113.3(10) . . ?
C33 C34 H34G 109.5 . . ?
C33 C34 H34H 109.5 . . ?
C33 C34 H34I 109.5 . . ?
H34G C34 H34H 109.5 . . ?
H34G C34 H34I 109.5 . . ?
H34H C34 H34I 109.5 . . ?
C33 C35 H35G 109.5 . . ?
C33 C35 H35H 109.5 . . ?
C33 C35 H35I 109.5 . . ?
H35G C35 H35H 109.5 . . ?
H35G C35 H35I 109.5 . . ?
H35H C35 H35I 109.5 . . ?
C33 C36 H36G 109.5 . . ?
C33 C36 H36H 109.5 . . ?
C33 C36 H36I 109.5 . . ?
H36G C36 H36H 109.5 . . ?
H36G C36 H36I 109.5 . . ?
H36H C36 H36I 109.5 . . ?
C38 C37 C3 121.9(3) . . ?
C38 C37 C42 116.6(3) . . ?
C42 C37 C3 121.3(3) . . ?
C37 C38 H38 119.4 . . ?
C37 C38 C39 121.2(3) . . ?
C39 C38 H38 119.4 . . ?
C38 C39 H39 118.6 . . ?
C40 C39 C38 122.8(3) . . ?
C40 C39 H39 118.6 . . ?
C39 C40 C41 115.3(3) . . ?
C39 C40 C43 123.8(3) . . ?
C41 C40 C43 120.9(3) . . ?
C40 C41 H41 118.7 . . ?
C40 C41 C42 122.6(3) . . ?
C42 C41 H41 118.7 . . ?
C37 C42 C41 121.5(3) . . ?
C37 C42 H42 119.3 . . ?
C41 C42 H42 119.3 . . ?
C44 C43 C40 108.9(3) . . ?
C45 C43 C40 113.1(3) . . ?
C45 C43 C44 106.8(5) . . ?
C45 C43 C46 110.3(4) . . ?
C46 C43 C40 110.5(3) . . ?
C46 C43 C44 107.0(4) . . ?
C43 C44 H44D 109.5 . . ?
C43 C44 H44E 109.5 . . ?
C43 C44 H44F 109.5 . . ?
H44D C44 H44E 109.5 . . ?
H44D C44 H44F 109.5 . . ?
H44E C44 H44F 109.5 . . ?
C43 C45 H45D 109.5 . . ?
C43 C45 H45E 109.5 . . ?
C43 C45 H45F 109.5 . . ?
H45D C45 H45E 109.5 . . ?
H45D C45 H45F 109.5 . . ?
H45E C45 H45F 109.5 . . ?
C43 C46 H46D 109.5 . . ?
C43 C46 H46E 109.5 . . ?
C43 C46 H46F 109.5 . . ?
H46D C46 H46E 109.5 . . ?
H46D C46 H46F 109.5 . . ?
H46E C46 H46F 109.5 . . ?
C2 B3 C1 56.09(19) . . ?
C2 B3 B7 58.0(2) . . ?
C2 B3 B4 102.4(3) . . ?
C2 B3 B8 102.9(3) . . ?
C1 B3 B7 103.8(3) . . ?
C1 B3 B4 57.5(2) . . ?
C1 B3 B8 103.5(3) . . ?
C3 B3 C2 118.6(3) . . ?
C3 B3 C1 125.0(3) . . ?
C3 B3 B7 117.1(3) . . ?
C3 B3 B4 130.2(3) . . ?
C3 B3 B8 127.9(3) . . ?
B7 B3 B4 107.9(3) . . ?
B8 B3 B7 60.1(2) . . ?
B8 B3 B4 60.2(2) . . ?
C2 B7 B3 59.7(2) . . ?
C2 B7 B5 57.9(2) . . ?
C2 B7 B8 104.1(3) . . ?
C2 B7 B9 103.0(3) . . ?
C6 B7 C2 116.9(3) . . ?
C6 B7 B3 111.5(3) . . ?
C6 B7 B5 125.4(3) . . ?
C6 B7 B8 124.9(3) . . ?
C6 B7 B9 133.7(3) . . ?
B3 B7 B5 108.5(3) . . ?
B3 B7 B9 108.3(3) . . ?
B8 B7 B3 59.9(2) . . ?
B8 B7 B5 106.8(3) . . ?
B8 B7 B9 60.0(2) . . ?
B9 B7 B5 58.7(2) . . ?
C2 B5 B7 58.4(2) . . ?
C2 B5 H5 124.9 . . ?
C2 B5 B6 59.7(2) . . ?
C2 B5 B9 104.8(3) . . ?
C2 B5 B10 104.9(3) . . ?
B7 B5 H5 120.6 . . ?
B6 B5 B7 109.5(3) . . ?
B6 B5 H5 120.8 . . ?
B9 B5 B7 60.5(2) . . ?
B9 B5 H5 121.7 . . ?
B9 B5 B6 109.1(3) . . ?
B9 B5 B10 61.3(2) . . ?
B10 B5 B7 109.7(3) . . ?
B10 B5 H5 121.8 . . ?
B10 B5 B6 59.4(2) . . ?
C2 B6 C1 55.9(2) . . ?
C2 B6 B5 57.6(2) . . ?
C2 B6 H6 125.9 . . ?
C2 B6 B10 103.8(3) . . ?
C2 B6 B11 102.8(3) . . ?
C1 B6 B5 102.7(3) . . ?
C1 B6 H6 125.7 . . ?
C1 B6 B10 104.2(3) . . ?
C1 B6 B11 57.7(2) . . ?
B5 B6 H6 122.9 . . ?
B10 B6 B5 60.0(2) . . ?
B10 B6 H6 122.6 . . ?
B10 B6 B11 60.7(3) . . ?
B11 B6 B5 107.4(3) . . ?
B11 B6 H6 122.6 . . ?
C1 B4 B3 59.5(2) . . ?
C1 B4 H4 125.0 . . ?
C1 B4 B8 104.4(3) . . ?
C1 B4 B11 58.5(2) . . ?
C1 B4 B12 103.8(3) . . ?
B3 B4 H4 121.2 . . ?
B8 B4 B3 59.4(2) . . ?
B8 B4 H4 122.6 . . ?
B11 B4 B3 108.7(3) . . ?
B11 B4 H4 121.2 . . ?
B11 B4 B8 108.0(3) . . ?
B12 B4 B3 107.6(3) . . ?
B12 B4 H4 123.0 . . ?
B12 B4 B8 59.9(2) . . ?
B12 B4 B11 59.7(3) . . ?
B3 B8 B4 60.4(2) . . ?
B3 B8 H8B 121.4 . . ?
B3 B8 B9 108.4(3) . . ?
B7 B8 B3 60.0(2) . . ?
B7 B8 B4 108.0(3) . . ?
B7 B8 H8B 121.8 . . ?
B7 B8 B9 60.1(2) . . ?
B4 B8 H8B 121.8 . . ?
B9 B8 B4 107.9(3) . . ?
B9 B8 H8B 121.5 . . ?
B12 B8 B3 108.0(3) . . ?
B12 B8 B7 107.8(3) . . ?
B12 B8 B4 59.5(2) . . ?
B12 B8 H8B 122.0 . . ?
B12 B8 B9 60.0(2) . . ?
B7 B9 H9B 121.4 . . ?
B7 B9 B10 108.8(3) . . ?
B5 B9 B7 60.8(2) . . ?
B5 B9 B8 108.3(3) . . ?
B5 B9 H9B 121.7 . . ?
B5 B9 B10 59.9(2) . . ?
B5 B9 B12 107.0(3) . . ?
B8 B9 B7 59.8(2) . . ?
B8 B9 H9B 121.6 . . ?
B8 B9 B10 108.3(3) . . ?
B10 B9 H9B 121.5 . . ?
B12 B9 B7 107.4(3) . . ?
B12 B9 B8 59.9(2) . . ?
B12 B9 H9B 122.6 . . ?
B12 B9 B10 59.6(2) . . ?
B5 B10 B9 58.8(2) . . ?
B5 B10 H10 122.6 . . ?
B5 B10 B11 107.3(3) . . ?
B5 B10 B12 106.3(3) . . ?
B6 B10 B5 60.6(2) . . ?
B6 B10 B9 108.0(3) . . ?
B6 B10 H10 121.2 . . ?
B6 B10 B11 60.0(3) . . ?
B6 B10 B12 107.7(3) . . ?
B9 B10 H10 122.1 . . ?
B11 B10 B9 107.3(3) . . ?
B11 B10 H10 122.1 . . ?
B12 B10 B9 59.8(2) . . ?
B12 B10 H10 122.5 . . ?
B12 B10 B11 59.4(2) . . ?
C1 B11 B6 60.3(2) . . ?
C1 B11 B4 58.4(2) . . ?
C1 B11 B10 105.0(3) . . ?
C1 B11 H11C 124.6 . . ?
C1 B11 B12 103.8(3) . . ?
B6 B11 B4 109.4(3) . . ?
B6 B11 B10 59.2(2) . . ?
B6 B11 H11C 120.9 . . ?
B4 B11 B10 108.5(3) . . ?
B4 B11 H11C 121.0 . . ?
B10 B11 H11C 122.4 . . ?
B12 B11 B6 107.4(3) . . ?
B12 B11 B4 59.9(3) . . ?
B12 B11 B10 60.0(2) . . ?
B12 B11 H11C 123.1 . . ?
B4 B12 B8 60.6(2) . . ?
B4 B12 B9 108.8(3) . . ?
B4 B12 B10 109.5(3) . . ?
B4 B12 H12C 121.0 . . ?
B8 B12 B9 60.1(2) . . ?
B8 B12 B10 109.4(3) . . ?
B8 B12 H12C 121.1 . . ?
B9 B12 H12C 121.3 . . ?
B10 B12 B9 60.6(2) . . ?
B10 B12 H12C 120.7 . . ?
B11 B12 B4 60.5(2) . . ?
B11 B12 B8 109.1(3) . . ?
B11 B12 B9 109.0(3) . . ?
B11 B12 B10 60.6(3) . . ?
B11 B12 H12C 121.1 . . ?
C1A C2A H2A 120.1 . . ?
C1A C2A B3A 62.0(2) . . ?
C1A C2A B7A 112.3(3) . . ?
C1A C2A B5A 112.2(3) . . ?
C1A C2A B6A 62.6(2) . . ?
B3A C2A H2A 116.9 . . ?
B7A C2A H2A 117.8 . . ?
B7A C2A B3A 62.6(2) . . ?
B7A C2A B6A 116.0(3) . . ?
B5A C2A H2A 118.1 . . ?
B5A C2A B3A 115.5(3) . . ?
B5A C2A B7A 63.5(2) . . ?
B5A C2A B6A 62.6(2) . . ?
B6A C2A H2A 116.4 . . ?
B6A C2A B3A 116.4(3) . . ?
C2A C1A H1A 121.4 . . ?
C2A C1A B3A 61.8(2) . . ?
C2A C1A B6A 61.5(2) . . ?
C2A C1A B4A 110.8(3) . . ?
C2A C1A B11A 110.1(3) . . ?
B3A C1A H1A 116.7 . . ?
B3A C1A B6A 115.3(3) . . ?
B6A C1A H1A 117.9 . . ?
B4A C1A H1A 118.5 . . ?
B4A C1A B3A 62.7(2) . . ?
B4A C1A B6A 114.1(3) . . ?
B4A C1A B11A 63.3(2) . . ?
B11A C1A H1A 118.9 . . ?
B11A C1A B3A 115.2(3) . . ?
B11A C1A B6A 61.3(2) . . ?
C4A C3A C37A 122.6(3) . . ?
C4A C3A B3A 119.9(3) . . ?
C37A C3A B3A 117.5(3) . . ?
C3A C4A C5A 124.0(3) . . ?
C3A C4A C27A 121.3(3) . . ?
C27A C4A C5A 114.7(3) . . ?
C4A C5A C17A 115.9(3) . . ?
C6A C5A C4A 125.5(3) . . ?
C6A C5A C17A 118.6(3) . . ?
C5A C6A C7A 119.3(3) . . ?
C5A C6A B7A 121.8(3) . . ?
C7A C6A B7A 118.8(3) . . ?
C8A C7A C6A 121.9(3) . . ?
C8A C7A C12A 116.7(3) . . ?
C12A C7A C6A 121.3(3) . . ?
C7A C8A H8A 118.9 . . ?
C7A C8A C9A 122.2(3) . . ?
C9A C8A H8A 118.9 . . ?
C8A C9A H9A 119.1 . . ?
C8A C9A C10A 121.7(3) . . ?
C10A C9A H9A 119.1 . . ?
C9A C10A C11A 116.1(3) . . ?
C9A C10A C13A 121.7(3) . . ?
C11A C10A C13A 122.1(3) . . ?
C10A C11A H11A 119.2 . . ?
C12A C11A C10A 121.7(3) . . ?
C12A C11A H11A 119.2 . . ?
C7A C12A C11A 121.5(3) . . ?
C7A C12A H12A 119.3 . . ?
C11A C12A H12A 119.3 . . ?
C10A C13A C14A 111.2(3) . . ?
C15A C13A C10A 108.1(3) . . ?
C15A C13A C14A 109.8(5) . . ?
C15A C13A C16A 109.8(4) . . ?
C16A C13A C10A 111.6(3) . . ?
C16A C13A C14A 106.4(4) . . ?
C13A C14A H14A 109.5 . . ?
C13A C14A H14B 109.5 . . ?
C13A C14A H14C 109.5 . . ?
H14A C14A H14B 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C13A C15A H15A 109.5 . . ?
C13A C15A H15B 109.5 . . ?
C13A C15A H15C 109.5 . . ?
H15A C15A H15B 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C13A C16A H16A 109.5 . . ?
C13A C16A H16B 109.5 . . ?
C13A C16A H16C 109.5 . . ?
H16A C16A H16B 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
C18A C17A C5A 122.1(3) . . ?
C18A C17A C22A 117.3(3) . . ?
C22A C17A C5A 120.5(3) . . ?
C17A C18A H18A 119.7 . . ?
C17A C18A C19A 120.7(4) . . ?
C19A C18A H18A 119.7 . . ?
C18A C19A H19A 118.6 . . ?
C20A C19A C18A 122.7(4) . . ?
C20A C19A H19A 118.6 . . ?
C19A C20A C23A 122.3(4) . . ?
C21A C20A C19A 115.8(3) . . ?
C21A C20A C23A 121.8(4) . . ?
C20A C21A H21A 118.8 . . ?
C20A C21A C22A 122.5(4) . . ?
C22A C21A H21A 118.8 . . ?
C17A C22A C21A 120.9(3) . . ?
C17A C22A H22A 119.5 . . ?
C21A C22A H22A 119.5 . . ?
C20A C23A C25A 111.5(4) . . ?
C20A C23A C25B 108.0(6) . . ?
C20A C23A C24B 105.3(9) . . ?
C24A C23A C20A 108.2(5) . . ?
C24A C23A C25A 103.6(5) . . ?
C26A C23A C20A 110.6(4) . . ?
C26A C23A C24A 113.3(6) . . ?
C26A C23A C25A 109.4(6) . . ?
C24B C23A C25B 102.8(12) . . ?
C26B C23A C20A 112.3(9) . . ?
C26B C23A C25B 109.1(11) . . ?
C26B C23A C24B 118.5(14) . . ?
C23A C24A H24A 109.5 . . ?
C23A C24A H24B 109.5 . . ?
C23A C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C23A C25A H25A 109.5 . . ?
C23A C25A H25B 109.5 . . ?
C23A C25A H25C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C23A C26A H26A 109.5 . . ?
C23A C26A H26B 109.5 . . ?
C23A C26A H26C 109.5 . . ?
H26A C26A H26B 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C28A C27A C4A 123.0(3) . . ?
C28A C27A C32A 116.6(3) . . ?
C32A C27A C4A 120.1(3) . . ?
C27A C28A H28A 119.4 . . ?
C29A C28A C27A 121.2(4) . . ?
C29A C28A H28A 119.4 . . ?
C28A C29A H29A 118.9 . . ?
C28A C29A C30A 122.1(4) . . ?
C30A C29A H29A 118.9 . . ?
C29A C30A C33A 122.2(4) . . ?
C31A C30A C29A 115.9(4) . . ?
C31A C30A C33A 121.8(4) . . ?
C30A C31A H31A 118.8 . . ?
C30A C31A C32A 122.5(4) . . ?
C32A C31A H31A 118.8 . . ?
C27A C32A H32A 119.4 . . ?
C31A C32A C27A 121.3(4) . . ?
C31A C32A H32A 119.4 . . ?
C30A C33A C35A 111.5(4) . . ?
C30A C33A C35B 111.3(7) . . ?
C34A C33A C30A 109.9(4) . . ?
C34A C33A C35A 105.3(5) . . ?
C36A C33A C30A 111.0(4) . . ?
C36A C33A C34A 114.0(5) . . ?
C36A C33A C35A 104.9(5) . . ?
C36B C33A C30A 109.5(8) . . ?
C36B C33A C35B 104.2(11) . . ?
C34B C33A C30A 111.9(8) . . ?
C34B C33A C35B 106.8(10) . . ?
C34B C33A C36B 112.8(13) . . ?
C33A C34A H34A 109.5 . . ?
C33A C34A H34B 109.5 . . ?
C33A C34A H34C 109.5 . . ?
H34A C34A H34B 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C33A C35A H35A 109.5 . . ?
C33A C35A H35B 109.5 . . ?
C33A C35A H35C 109.5 . . ?
H35A C35A H35B 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C33A C36A H36A 109.5 . . ?
C33A C36A H36B 109.5 . . ?
C33A C36A H36C 109.5 . . ?
H36A C36A H36B 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C38A C37A C3A 122.8(3) . . ?
C42A C37A C3A 120.7(3) . . ?
C42A C37A C38A 116.4(3) . . ?
C37A C38A H38A 119.1 . . ?
C37A C38A C39A 121.8(3) . . ?
C39A C38A H38A 119.1 . . ?
C38A C39A H39A 118.8 . . ?
C40A C39A C38A 122.3(4) . . ?
C40A C39A H39A 118.8 . . ?
C39A C40A C41A 115.9(3) . . ?
C39A C40A C43A 123.0(4) . . ?
C41A C40A C43A 121.1(4) . . ?
C40A C41A H41A 118.9 . . ?
C42A C41A C40A 122.2(4) . . ?
C42A C41A H41A 118.9 . . ?
C37A C42A C41A 121.3(4) . . ?
C37A C42A H42A 119.3 . . ?
C41A C42A H42A 119.3 . . ?
C40A C43A C45A 107.4(4) . . ?
C44A C43A C40A 116.4(5) . . ?
C44A C43A C45A 100.4(6) . . ?
C44A C43A C46A 113.7(5) . . ?
C46A C43A C40A 114.1(4) . . ?
C46A C43A C45A 102.5(6) . . ?
C43A C44A H44A 109.5 . . ?
C43A C44A H44B 109.5 . . ?
C43A C44A H44C 109.5 . . ?
H44A C44A H44B 109.5 . . ?
H44A C44A H44C 109.5 . . ?
H44B C44A H44C 109.5 . . ?
C43A C45A H45A 109.5 . . ?
C43A C45A H45B 109.5 . . ?
C43A C45A H45C 109.5 . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C43A C46A H46A 109.5 . . ?
C43A C46A H46B 109.5 . . ?
C43A C46A H46C 109.5 . . ?
H46A C46A H46B 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
C2A B3A C1A 56.14(19) . . ?
C2A B3A B7A 57.8(2) . . ?
C2A B3A B4A 102.5(3) . . ?
C2A B3A B8A 103.3(3) . . ?
C1A B3A B7A 103.7(3) . . ?
C1A B3A B4A 57.8(2) . . ?
C1A B3A B8A 103.7(3) . . ?
C3A B3A C2A 116.2(3) . . ?
C3A B3A C1A 123.3(3) . . ?
C3A B3A B7A 116.8(3) . . ?
C3A B3A B4A 131.7(3) . . ?
C3A B3A B8A 129.9(3) . . ?
B7A B3A B4A 107.6(3) . . ?
B7A B3A B8A 60.6(2) . . ?
B8A B3A B4A 59.7(2) . . ?
C2A B7A B3A 59.6(2) . . ?
C2A B7A B5A 57.8(2) . . ?
C2A B7A B8A 103.9(2) . . ?
C2A B7A B9A 103.3(3) . . ?
C6A B7A C2A 118.0(3) . . ?
C6A B7A B3A 111.5(3) . . ?
C6A B7A B5A 126.3(3) . . ?
C6A B7A B8A 123.6(3) . . ?
C6A B7A B9A 133.1(3) . . ?
B3A B7A B5A 108.3(3) . . ?
B3A B7A B8A 59.6(2) . . ?
B3A B7A B9A 107.9(3) . . ?
B5A B7A B8A 107.1(3) . . ?
B5A B7A B9A 59.4(2) . . ?
B9A B7A B8A 59.8(2) . . ?
C2A B5A B7A 58.7(2) . . ?
C2A B5A H5A 124.6 . . ?
C2A B5A B6A 60.0(2) . . ?
C2A B5A B9A 104.8(3) . . ?
C2A B5A B10A 105.2(3) . . ?
B7A B5A H5A 120.4 . . ?
B6A B5A B7A 109.9(3) . . ?
B6A B5A H5A 120.6 . . ?
B6A B5A B10A 59.5(2) . . ?
B9A B5A B7A 60.5(2) . . ?
B9A B5A H5A 122.0 . . ?
B9A B5A B6A 108.8(3) . . ?
B9A B5A B10A 60.9(2) . . ?
B10A B5A B7A 109.6(3) . . ?
B10A B5A H5A 121.9 . . ?
C2A B6A C1A 55.9(2) . . ?
C2A B6A B5A 57.4(2) . . ?
C2A B6A H6A 125.9 . . ?
C2A B6A B10A 103.9(3) . . ?
C2A B6A B11A 103.0(3) . . ?
C1A B6A B5A 102.8(3) . . ?
C1A B6A H6A 125.5 . . ?
C1A B6A B10A 104.5(3) . . ?
C1A B6A B11A 58.1(2) . . ?
B5A B6A H6A 122.8 . . ?
B10A B6A B5A 60.3(2) . . ?
B10A B6A H6A 122.5 . . ?
B10A B6A B11A 60.7(2) . . ?
B11A B6A B5A 107.7(3) . . ?
B11A B6A H6A 122.4 . . ?
C1A B4A B3A 59.5(2) . . ?
C1A B4A H4A 124.8 . . ?
C1A B4A B8A 105.1(3) . . ?
C1A B4A B11A 58.3(2) . . ?
C1A B4A B12A 104.1(3) . . ?
B3A B4A H4A 121.1 . . ?
B8A B4A B3A 59.9(2) . . ?
B8A B4A H4A 122.0 . . ?
B8A B4A B11A 108.3(3) . . ?
B11A B4A B3A 108.5(3) . . ?
B11A B4A H4A 121.5 . . ?
B12A B4A B3A 108.1(3) . . ?
B12A B4A H4A 122.6 . . ?
B12A B4A B8A 60.4(2) . . ?
B12A B4A B11A 59.7(2) . . ?
B3A B8A B7A 59.8(2) . . ?
B3A B8A H8AA 121.4 . . ?
B3A B8A B9A 108.1(3) . . ?
B3A B8A B12A 107.9(3) . . ?
B7A B8A H8AA 122.2 . . ?
B4A B8A B3A 60.5(2) . . ?
B4A B8A B7A 107.7(3) . . ?
B4A B8A H8AA 121.9 . . ?
B4A B8A B9A 107.6(3) . . ?
B4A B8A B12A 59.5(2) . . ?
B9A B8A B7A 59.8(2) . . ?
B9A B8A H8AA 121.8 . . ?
B12A B8A B7A 107.2(3) . . ?
B12A B8A H8AA 122.2 . . ?
B12A B8A B9A 59.7(2) . . ?
B7A B9A H9AA 121.4 . . ?
B7A B9A B10A 108.5(3) . . ?
B5A B9A B7A 60.1(2) . . ?
B5A B9A B8A 108.1(3) . . ?
B5A B9A H9AA 122.2 . . ?
B5A B9A B10A 59.8(2) . . ?
B5A B9A B12A 106.8(3) . . ?
B8A B9A B7A 60.3(2) . . ?
B8A B9A H9AA 121.4 . . ?
B8A B9A B10A 108.4(3) . . ?
B10A B9A H9AA 121.5 . . ?
B12A B9A B7A 107.7(3) . . ?
B12A B9A B8A 59.9(2) . . ?
B12A B9A H9AA 122.5 . . ?
B12A B9A B10A 59.6(2) . . ?
B5A B10A B9A 59.3(2) . . ?
B5A B10A H10A 122.7 . . ?
B5A B10A B11A 106.7(3) . . ?
B5A B10A B12A 106.5(3) . . ?
B6A B10A B5A 60.1(2) . . ?
B6A B10A B9A 108.1(3) . . ?
B6A B10A H10A 121.5 . . ?
B6A B10A B11A 59.6(2) . . ?
B6A B10A B12A 107.5(3) . . ?
B9A B10A H10A 121.9 . . ?
B11A B10A B9A 107.3(3) . . ?
B11A B10A H10A 122.4 . . ?
B12A B10A B9A 59.7(2) . . ?
B12A B10A H10A 122.4 . . ?
B12A B10A B11A 59.6(2) . . ?
C1A B11A B6A 60.6(2) . . ?
C1A B11A B4A 58.4(2) . . ?
C1A B11A B10A 105.7(3) . . ?
C1A B11A H11B 124.3 . . ?
C1A B11A B12A 104.0(3) . . ?
B6A B11A B4A 109.5(3) . . ?
B6A B11A B10A 59.7(2) . . ?
B6A B11A H11B 120.5 . . ?
B6A B11A B12A 108.0(3) . . ?
B4A B11A H11B 121.3 . . ?
B10A B11A B4A 108.3(3) . . ?
B10A B11A H11B 122.1 . . ?
B12A B11A B4A 59.5(2) . . ?
B12A B11A B10A 60.1(2) . . ?
B12A B11A H11B 123.1 . . ?
B4A B12A B8A 60.1(2) . . ?
B4A B12A B9A 108.6(3) . . ?
B4A B12A B10A 109.6(3) . . ?
B4A B12A B11A 60.8(2) . . ?
B4A B12A H12B 121.1 . . ?
B8A B12A H12B 121.0 . . ?
B9A B12A B8A 60.4(2) . . ?
B9A B12A H12B 121.4 . . ?
B10A B12A B8A 109.6(3) . . ?
B10A B12A B9A 60.7(2) . . ?
B10A B12A H12B 120.6 . . ?
B11A B12A B8A 109.1(3) . . ?
B11A B12A B9A 108.7(3) . . ?
B11A B12A B10A 60.3(2) . . ?
B11A B12A H12B 121.2 . . ?
C33A C35B H35D 109.5 . . ?
C33A C35B H35E 109.5 . . ?
C33A C35B H35F 109.5 . . ?
H35D C35B H35E 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C33 C36' H36J 109.5 . . ?
C33 C36' H36K 109.5 . . ?
C33 C36' H36L 109.5 . . ?
H36J C36' H36K 109.5 . . ?
H36J C36' H36L 109.5 . . ?
H36K C36' H36L 109.5 . . ?
C33 C35' H35J 109.5 . . ?
C33 C35' H35K 109.5 . . ?
C33 C35' H35L 109.5 . . ?
H35J C35' H35K 109.5 . . ?
H35J C35' H35L 109.5 . . ?
H35K C35' H35L 109.5 . . ?
C33A C36B H36D 109.5 . . ?
C33A C36B H36E 109.5 . . ?
C33A C36B H36F 109.5 . . ?
H36D C36B H36E 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 109.5 . . ?
C33 C34' H34J 109.5 . . ?
C33 C34' H34K 109.5 . . ?
C33 C34' H34L 109.5 . . ?
H34J C34' H34K 109.5 . . ?
H34J C34' H34L 109.5 . . ?
H34K C34' H34L 109.5 . . ?
C33A C34B H34D 109.5 . . ?
C33A C34B H34E 109.5 . . ?
C33A C34B H34F 109.5 . . ?
H34D C34B H34E 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
C23A C25B H25D 109.5 . . ?
C23A C25B H25E 109.5 . . ?
C23A C25B H25F 109.5 . . ?
H25D C25B H25E 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C23A C24B H24D 109.5 . . ?
C23A C24B H24E 109.5 . . ?
C23A C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C23A C26B H26D 109.5 . . ?
C23A C26B H26E 109.5 . . ?
C23A C26B H26F 109.5 . . ?
H26D C26B H26E 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.408 0.000 0.000 401.5 79.8 ?



_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5a
_database_code_depnum_ccdc_archive 'CCDC 2032821'
loop_
_audit_author_name
_audit_author_address
'Zaozao Qiu'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2020-12-04 deposited with the CCDC.	2020-12-24 downloaded from the CCDC.
;
_audit_creation_date             2016-05-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C30 H30 B10'
_chemical_formula_sum            'C30 H30 B10'
_chemical_formula_weight         498.64
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   11.3473(10)
_cell_length_b                   15.2698(14)
_cell_length_c                   17.5705(16)
_cell_angle_alpha                85.718(2)
_cell_angle_beta                 75.442(2)
_cell_angle_gamma                76.838(2)
_cell_volume                     2868.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4536
_cell_measurement_temperature    130
_cell_measurement_theta_max      28.61
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.990
_shelx_estimated_absorpt_T_min   0.985
_exptl_absorpt_coefficient_mu    0.060
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6877
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0451 before and 0.0387 after correction.
The Ratio of minimum to maximum transmission is 0.9217.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0783
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            29776
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.856
_diffrn_reflns_theta_min         1.803
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10748
_reflns_number_total             17777
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX DUO'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_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         0.330
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         17777
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0599
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0661P)²+0.2661P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1555
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C26(H26),
  C27(H27), C28(H28), C29(H29), C30(H30), C8A(H8AA), C9A(H9AA), C10A(H10B),
 C11A(H11B), C12A(H12B), C14A(H14A), C15A(H15A), C16A(H16A), C17A(H17A),
 C18A(H18A), C20A(H20A), C21A(H21A), C22A(H22A), C23A(H23A), C24A(H24A),
 C26A(H26A), C27A(H27A), C28A(H28A), C29A(H29A), C30A(H30A)
2.b Boron cage BH refined with riding coordinates:
 C1(H1), C2(H2), B5(H5), B6(H6), B7(H7), B8(H8A), B9(H9A), B10(H10A),
 B11(H11A), B12(H12A), C1A(H1A), C2A(H2A), B5A(H5A), B6A(H6A), B7A(H7A),
 B8A(H8AB), B9A(H9AB), B10A(H10C), B11A(H11C), B12A(H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_special_details      
;
The structure was solved using Direct Methods (ShelXS). RE = 0.2, Nqual =  -1, Ralpha = 0.051
;
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 1.16395(14) 0.20919(10) 0.43631(9) 0.0217(3) Uani 1 1 d . . . . .
H1 H 1.1364 0.1774 0.3899 0.026 Uiso 1 1 calc R . . . .
C2 C 1.30617(14) 0.22201(11) 0.42238(9) 0.0256(3) Uani 1 1 d . . . . .
H2 H 1.3782 0.2005 0.3668 0.031 Uiso 1 1 calc R . . . .
C3 C 1.16147(13) 0.36293(10) 0.33896(9) 0.0203(3) Uani 1 1 d . . . . .
C4 C 1.04188(13) 0.38458(10) 0.33034(8) 0.0193(3) Uani 1 1 d . . . . .
C5 C 0.93028(13) 0.36518(10) 0.38990(8) 0.0192(3) Uani 1 1 d . . . . .
C6 C 0.93356(13) 0.32644(10) 0.46166(8) 0.0204(3) Uani 1 1 d . . . . .
C7 C 0.82085(13) 0.30353(11) 0.51694(9) 0.0224(3) Uani 1 1 d . . . . .
C8 C 0.77689(15) 0.22968(13) 0.50316(10) 0.0328(4) Uani 1 1 d . . . . .
H8 H 0.8150 0.1967 0.4563 0.039 Uiso 1 1 calc R . . . .
C9 C 0.67795(17) 0.20354(14) 0.55719(11) 0.0386(4) Uani 1 1 d . . . . .
H9 H 0.6491 0.1529 0.5470 0.046 Uiso 1 1 calc R . . . .
C10 C 0.62139(16) 0.25073(14) 0.62550(11) 0.0399(4) Uani 1 1 d . . . . .
H10 H 0.5537 0.2328 0.6623 0.048 Uiso 1 1 calc R . . . .
C11 C 0.66380(17) 0.32404(14) 0.63991(11) 0.0408(5) Uani 1 1 d . . . . .
H11 H 0.6245 0.3571 0.6866 0.049 Uiso 1 1 calc R . . . .
C12 C 0.76389(16) 0.34998(12) 0.58650(10) 0.0323(4) Uani 1 1 d . . . . .
H12 H 0.7935 0.3998 0.5976 0.039 Uiso 1 1 calc R . . . .
C13 C 0.80733(13) 0.38990(10) 0.36738(9) 0.0213(3) Uani 1 1 d . . . . .
C14 C 0.78692(15) 0.34593(11) 0.30679(9) 0.0262(3) Uani 1 1 d . . . . .
H14 H 0.8513 0.2999 0.2791 0.031 Uiso 1 1 calc R . . . .
C15 C 0.67275(16) 0.36908(12) 0.28659(11) 0.0337(4) Uani 1 1 d . . . . .
H15 H 0.6598 0.3392 0.2449 0.040 Uiso 1 1 calc R . . . .
C16 C 0.57770(16) 0.43563(13) 0.32706(11) 0.0376(4) Uani 1 1 d . . . . .
H16 H 0.4995 0.4510 0.3134 0.045 Uiso 1 1 calc R . . . .
C17 C 0.59727(15) 0.47942(13) 0.38721(11) 0.0358(4) Uani 1 1 d . . . . .
H17 H 0.5326 0.5253 0.4149 0.043 Uiso 1 1 calc R . . . .
C18 C 0.71178(14) 0.45658(11) 0.40753(10) 0.0276(3) Uani 1 1 d . . . . .
H18 H 0.7245 0.4868 0.4491 0.033 Uiso 1 1 calc R . . . .
C19 C 1.01730(13) 0.42951(10) 0.25527(8) 0.0196(3) Uani 1 1 d . . . . .
C20 C 1.06055(14) 0.38273(11) 0.18541(9) 0.0253(3) Uani 1 1 d . . . . .
H20 H 1.1067 0.3224 0.1853 0.030 Uiso 1 1 calc R . . . .
C21 C 1.03724(15) 0.42297(13) 0.11563(10) 0.0339(4) Uani 1 1 d . . . . .
H21 H 1.0664 0.3901 0.0683 0.041 Uiso 1 1 calc R . . . .
C22 C 0.97137(17) 0.51112(14) 0.11537(11) 0.0397(5) Uani 1 1 d . . . . .
H22 H 0.9560 0.5392 0.0676 0.048 Uiso 1 1 calc R . . . .
C23 C 0.92812(16) 0.55812(13) 0.18423(11) 0.0373(4) Uani 1 1 d . . . . .
H23 H 0.8828 0.6186 0.1838 0.045 Uiso 1 1 calc R . . . .
C24 C 0.95013(15) 0.51792(11) 0.25444(10) 0.0276(3) Uani 1 1 d . . . . .
H24 H 0.9194 0.5508 0.3018 0.033 Uiso 1 1 calc R . . . .
C25 C 1.26619(14) 0.38692(11) 0.27569(9) 0.0224(3) Uani 1 1 d . . . . .
C26 C 1.36274(14) 0.31961(11) 0.23610(9) 0.0249(3) Uani 1 1 d . . . . .
H26 H 1.3632 0.2584 0.2510 0.030 Uiso 1 1 calc R . . . .
C27 C 1.45837(15) 0.34029(13) 0.17524(10) 0.0311(4) Uani 1 1 d . . . . .
H27 H 1.5220 0.2933 0.1484 0.037 Uiso 1 1 calc R . . . .
C28 C 1.46087(16) 0.42841(14) 0.15398(10) 0.0355(4) Uani 1 1 d . . . . .
H28 H 1.5261 0.4426 0.1126 0.043 Uiso 1 1 calc R . . . .
C29 C 1.36761(16) 0.49632(13) 0.19343(11) 0.0351(4) Uani 1 1 d . . . . .
H29 H 1.3698 0.5573 0.1794 0.042 Uiso 1 1 calc R . . . .
C30 C 1.27004(15) 0.47617(11) 0.25379(10) 0.0287(4) Uani 1 1 d . . . . .
H30 H 1.2062 0.5235 0.2800 0.034 Uiso 1 1 calc R . . . .
B3 B 1.18920(15) 0.31652(12) 0.41653(10) 0.0211(3) Uani 1 1 d . . . . .
B4 B 1.05846(15) 0.29499(12) 0.48808(10) 0.0215(3) Uani 1 1 d . . . . .
B5 B 1.09996(17) 0.18655(13) 0.53053(10) 0.0260(4) Uani 1 1 d . . . . .
H5 H 1.0298 0.1434 0.5504 0.031 Uiso 1 1 calc R . . . .
B6 B 1.25841(18) 0.13874(13) 0.48730(11) 0.0278(4) Uani 1 1 d . . . . .
H6 H 1.2942 0.0647 0.4782 0.033 Uiso 1 1 calc R . . . .
B7 B 1.30927(17) 0.31692(13) 0.46596(11) 0.0288(4) Uani 1 1 d . . . . .
H7 H 1.3797 0.3594 0.4435 0.035 Uiso 1 1 calc R . . . .
B8 B 1.15090(17) 0.36395(13) 0.51133(11) 0.0263(4) Uani 1 1 d . . . . .
H8A H 1.1162 0.4381 0.5201 0.032 Uiso 1 1 calc R . . . .
B9 B 1.09336(17) 0.28362(14) 0.58200(11) 0.0276(4) Uani 1 1 d . . . . .
H9A H 1.0200 0.3049 0.6371 0.033 Uiso 1 1 calc R . . . .
B10 B 1.21724(17) 0.18684(13) 0.58058(11) 0.0282(4) Uani 1 1 d . . . . .
H10A H 1.2255 0.1444 0.6346 0.034 Uiso 1 1 calc R . . . .
B11 B 1.35056(17) 0.20822(13) 0.50887(11) 0.0285(4) Uani 1 1 d . . . . .
H11A H 1.4482 0.1798 0.5145 0.034 Uiso 1 1 calc R . . . .
B12 B 1.24926(17) 0.29701(14) 0.56831(11) 0.0293(4) Uani 1 1 d . . . . .
H12A H 1.2791 0.3272 0.6146 0.035 Uiso 1 1 calc R . . . .
C1A C 0.19082(14) -0.07469(11) 0.25593(9) 0.0242(3) Uani 1 1 d . . . . .
H1A H 0.2270 -0.1420 0.2812 0.029 Uiso 1 1 calc R . . . .
C2A C 0.08941(14) -0.06358(11) 0.20330(10) 0.0263(3) Uani 1 1 d . . . . .
H2A H 0.0555 -0.1232 0.1910 0.032 Uiso 1 1 calc R . . . .
C3A C 0.33395(14) -0.14143(11) 0.11215(9) 0.0250(3) Uani 1 1 d . . . . .
C4A C 0.45012(14) -0.16630(10) 0.12577(9) 0.0227(3) Uani 1 1 d . . . . .
C5A C 0.50275(13) -0.11191(10) 0.17113(9) 0.0211(3) Uani 1 1 d . . . . .
C6A C 0.43497(14) -0.04169(10) 0.21756(9) 0.0216(3) Uani 1 1 d . . . . .
C7A C 0.49870(13) 0.01098(10) 0.25688(9) 0.0211(3) Uani 1 1 d . . . . .
C8A C 0.50805(16) -0.00837(11) 0.33411(10) 0.0296(4) Uani 1 1 d . . . . .
H8AA H 0.4713 -0.0546 0.3629 0.036 Uiso 1 1 calc R . . . .
C9A C 0.57013(16) 0.03863(12) 0.36970(11) 0.0343(4) Uani 1 1 d . . . . .
H9AA H 0.5767 0.0238 0.4222 0.041 Uiso 1 1 calc R . . . .
C10A C 0.62248(15) 0.10685(12) 0.32917(11) 0.0352(4) Uani 1 1 d . . . . .
H10B H 0.6652 0.1391 0.3534 0.042 Uiso 1 1 calc R . . . .
C11A C 0.61216(16) 0.12765(12) 0.25321(12) 0.0364(4) Uani 1 1 d . . . . .
H11B H 0.6473 0.1750 0.2253 0.044 Uiso 1 1 calc R . . . .
C12A C 0.55099(15) 0.08023(11) 0.21681(10) 0.0298(4) Uani 1 1 d . . . . .
H12B H 0.5449 0.0953 0.1643 0.036 Uiso 1 1 calc R . . . .
C13A C 0.64299(14) -0.13576(10) 0.15695(9) 0.0219(3) Uani 1 1 d . . . . .
C14A C 0.70375(14) -0.17076(11) 0.21551(9) 0.0257(3) Uani 1 1 d . . . . .
H14A H 0.6565 -0.1789 0.2674 0.031 Uiso 1 1 calc R . . . .
C15A C 0.83333(15) -0.19399(12) 0.19873(10) 0.0304(4) Uani 1 1 d . . . . .
H15A H 0.8740 -0.2173 0.2394 0.037 Uiso 1 1 calc R . . . .
C16A C 0.90329(15) -0.18343(12) 0.12332(10) 0.0313(4) Uani 1 1 d . . . . .
H16A H 0.9917 -0.2005 0.1118 0.038 Uiso 1 1 calc R . . . .
C17A C 0.84379(16) -0.14793(13) 0.06484(10) 0.0351(4) Uani 1 1 d . . . . .
H17A H 0.8914 -0.1399 0.0130 0.042 Uiso 1 1 calc R . . . .
C18A C 0.71476(15) -0.12398(12) 0.08164(10) 0.0311(4) Uani 1 1 d . . . . .
H18A H 0.6747 -0.0991 0.0411 0.037 Uiso 1 1 calc R . . . .
C19A C 0.53388(13) -0.25442(11) 0.09645(9) 0.0243(3) Uani 1 1 d . . . . .
C20A C 0.56855(14) -0.31964(11) 0.15112(10) 0.0276(3) Uani 1 1 d . . . . .
H20A H 0.5402 -0.3070 0.2056 0.033 Uiso 1 1 calc R . . . .
C21A C 0.64406(15) -0.40298(12) 0.12713(12) 0.0345(4) Uani 1 1 d . . . . .
H21A H 0.6665 -0.4473 0.1649 0.041 Uiso 1 1 calc R . . . .
C22A C 0.68619(16) -0.42077(13) 0.04781(12) 0.0388(5) Uani 1 1 d . . . . .
H22A H 0.7379 -0.4775 0.0310 0.047 Uiso 1 1 calc R . . . .
C23A C 0.65361(16) -0.35652(14) -0.00709(12) 0.0421(5) Uani 1 1 d . . . . .
H23A H 0.6836 -0.3690 -0.0616 0.050 Uiso 1 1 calc R . . . .
C24A C 0.57705(15) -0.27356(13) 0.01693(10) 0.0339(4) Uani 1 1 d . . . . .
H24A H 0.5542 -0.2298 -0.0212 0.041 Uiso 1 1 calc R . . . .
C25A C 0.28553(14) -0.19655(11) 0.06502(10) 0.0286(4) Uani 1 1 d . . . . .
C26A C 0.25130(15) -0.16103(14) -0.00399(10) 0.0363(4) Uani 1 1 d . . . . .
H26A H 0.2606 -0.1022 -0.0220 0.044 Uiso 1 1 calc R . . . .
C27A C 0.20345(17) -0.21257(17) -0.04633(12) 0.0483(6) Uani 1 1 d . . . . .
H27A H 0.1807 -0.1885 -0.0933 0.058 Uiso 1 1 calc R . . . .
C28A C 0.18888(17) -0.29804(16) -0.02070(14) 0.0527(6) Uani 1 1 d . . . . .
H28A H 0.1574 -0.3329 -0.0503 0.063 Uiso 1 1 calc R . . . .
C29A C 0.22018(18) -0.33243(14) 0.04779(15) 0.0520(6) Uani 1 1 d . . . . .
H29A H 0.2093 -0.3909 0.0660 0.062 Uiso 1 1 calc R . . . .
C30A C 0.26771(17) -0.28185(12) 0.09060(13) 0.0415(5) Uani 1 1 d . . . . .
H30A H 0.2883 -0.3061 0.1382 0.050 Uiso 1 1 calc R . . . .
B3A B 0.24118(16) -0.05846(12) 0.15482(10) 0.0227(3) Uani 1 1 d . . . . .
B4A B 0.29190(16) -0.00566(12) 0.22321(10) 0.0217(3) Uani 1 1 d . . . . .
B5A B 0.16887(17) 0.01619(13) 0.31071(11) 0.0256(4) Uani 1 1 d . . . . .
H5A H 0.1899 0.0148 0.3698 0.031 Uiso 1 1 calc R . . . .
B6A B 0.03879(17) -0.02375(14) 0.29804(12) 0.0307(4) Uani 1 1 d . . . . .
H6A H -0.0259 -0.0518 0.3479 0.037 Uiso 1 1 calc R . . . .
B7A B 0.10855(17) 0.01596(12) 0.13166(11) 0.0267(4) Uani 1 1 d . . . . .
H7A H 0.0876 0.0144 0.0729 0.032 Uiso 1 1 calc R . . . .
B8A B 0.23626(17) 0.05799(12) 0.14424(10) 0.0240(4) Uani 1 1 d . . . . .
H8AB H 0.2999 0.0862 0.0938 0.029 Uiso 1 1 calc R . . . .
B9A B 0.19356(17) 0.10385(12) 0.24030(11) 0.0254(4) Uani 1 1 d . . . . .
H9AB H 0.2300 0.1620 0.2531 0.030 Uiso 1 1 calc R . . . .
B10A B 0.03830(18) 0.09184(14) 0.28626(12) 0.0306(4) Uani 1 1 d . . . . .
H10C H -0.0274 0.1420 0.3291 0.037 Uiso 1 1 calc R . . . .
B11A B -0.01360(17) 0.03698(13) 0.21844(12) 0.0301(4) Uani 1 1 d . . . . .
H11C H -0.1139 0.0493 0.2163 0.036 Uiso 1 1 calc R . . . .
B12A B 0.08000(18) 0.11697(13) 0.18319(11) 0.0277(4) Uani 1 1 d . . . . .
H12C H 0.0411 0.1838 0.1582 0.033 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
C1 H1 1.1200 . ?
C1 C2 1.625(2) . ?
C1 B3 1.723(2) . ?
C1 B4 1.701(2) . ?
C1 B5 1.677(2) . ?
C1 B6 1.710(2) . ?
C2 H2 1.1200 . ?
C2 B3 1.740(2) . ?
C2 B6 1.732(3) . ?
C2 B7 1.700(3) . ?
C2 B11 1.702(2) . ?
C3 C4 1.3658(19) . ?
C3 C25 1.502(2) . ?
C3 B3 1.558(2) . ?
C4 C5 1.498(2) . ?
C4 C19 1.5004(19) . ?
C5 C6 1.358(2) . ?
C5 C13 1.5037(19) . ?
C6 C7 1.493(2) . ?
C6 B4 1.563(2) . ?
C7 C8 1.392(2) . ?
C7 C12 1.392(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.380(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.378(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.393(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.393(2) . ?
C13 C18 1.389(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.380(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.395(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(2) . ?
C19 C24 1.392(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.388(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.375(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.390(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.397(2) . ?
C25 C30 1.396(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.394(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.374(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.384(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.400(2) . ?
C30 H30 0.9500 . ?
B3 B4 1.764(2) . ?
B3 B7 1.792(2) . ?
B3 B8 1.778(2) . ?
B4 B5 1.777(3) . ?
B4 B8 1.777(3) . ?
B4 B9 1.779(2) . ?
B5 H5 1.1200 . ?
B5 B6 1.772(3) . ?
B5 B9 1.771(3) . ?
B5 B10 1.771(2) . ?
B6 H6 1.1200 . ?
B6 B10 1.756(3) . ?
B6 B11 1.768(3) . ?
B7 H7 1.1200 . ?
B7 B8 1.777(3) . ?
B7 B11 1.783(3) . ?
B7 B12 1.785(3) . ?
B8 H8A 1.1200 . ?
B8 B9 1.790(3) . ?
B8 B12 1.784(3) . ?
B9 H9A 1.1200 . ?
B9 B10 1.790(3) . ?
B9 B12 1.781(3) . ?
B10 H10A 1.1200 . ?
B10 B11 1.786(3) . ?
B10 B12 1.787(3) . ?
B11 H11A 1.1200 . ?
B11 B12 1.774(3) . ?
B12 H12A 1.1200 . ?
C1A H1A 1.1200 . ?
C1A C2A 1.622(2) . ?
C1A B3A 1.741(2) . ?
C1A B4A 1.699(2) . ?
C1A B5A 1.684(2) . ?
C1A B6A 1.721(2) . ?
C2A H2A 1.1200 . ?
C2A B3A 1.735(2) . ?
C2A B6A 1.727(3) . ?
C2A B7A 1.691(3) . ?
C2A B11A 1.698(2) . ?
C3A C4A 1.362(2) . ?
C3A C25A 1.497(2) . ?
C3A B3A 1.553(2) . ?
C4A C5A 1.499(2) . ?
C4A C19A 1.501(2) . ?
C5A C6A 1.359(2) . ?
C5A C13A 1.509(2) . ?
C6A C7A 1.499(2) . ?
C6A B4A 1.571(2) . ?
C7A C8A 1.392(2) . ?
C7A C12A 1.389(2) . ?
C8A H8AA 0.9500 . ?
C8A C9A 1.386(2) . ?
C9A H9AA 0.9500 . ?
C9A C10A 1.380(3) . ?
C10A H10B 0.9500 . ?
C10A C11A 1.376(3) . ?
C11A H11B 0.9500 . ?
C11A C12A 1.391(2) . ?
C12A H12B 0.9500 . ?
C13A C14A 1.388(2) . ?
C13A C18A 1.391(2) . ?
C14A H14A 0.9500 . ?
C14A C15A 1.391(2) . ?
C15A H15A 0.9500 . ?
C15A C16A 1.382(2) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.380(2) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.386(2) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.392(2) . ?
C19A C24A 1.389(2) . ?
C20A H20A 0.9500 . ?
C20A C21A 1.390(2) . ?
C21A H21A 0.9500 . ?
C21A C22A 1.381(3) . ?
C22A H22A 0.9500 . ?
C22A C23A 1.379(3) . ?
C23A H23A 0.9500 . ?
C23A C24A 1.390(2) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.399(2) . ?
C25A C30A 1.388(3) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.398(2) . ?
C27A H27A 0.9500 . ?
C27A C28A 1.381(3) . ?
C28A H28A 0.9500 . ?
C28A C29A 1.373(3) . ?
C29A H29A 0.9500 . ?
C29A C30A 1.390(2) . ?
C30A H30A 0.9500 . ?
B3A B4A 1.769(2) . ?
B3A B7A 1.784(2) . ?
B3A B8A 1.764(3) . ?
B4A B5A 1.791(2) . ?
B4A B8A 1.797(2) . ?
B4A B9A 1.786(2) . ?
B5A H5A 1.1200 . ?
B5A B6A 1.788(3) . ?
B5A B9A 1.775(3) . ?
B5A B10A 1.783(3) . ?
B6A H6A 1.1200 . ?
B6A B10A 1.761(3) . ?
B6A B11A 1.773(3) . ?
B7A H7A 1.1200 . ?
B7A B8A 1.779(3) . ?
B7A B11A 1.777(3) . ?
B7A B12A 1.771(3) . ?
B8A H8AB 1.1200 . ?
B8A B9A 1.784(2) . ?
B8A B12A 1.783(3) . ?
B9A H9AB 1.1200 . ?
B9A B10A 1.789(3) . ?
B9A B12A 1.792(3) . ?
B10A H10C 1.1200 . ?
B10A B11A 1.788(3) . ?
B10A B12A 1.789(3) . ?
B11A H11C 1.1200 . ?
B11A B12A 1.775(3) . ?
B12A H12C 1.1200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 H1 119.9 . . ?
C2 C1 B3 62.57(10) . . ?
C2 C1 B4 112.05(12) . . ?
C2 C1 B5 112.83(12) . . ?
C2 C1 B6 62.50(10) . . ?
B3 C1 H1 116.7 . . ?
B4 C1 H1 118.3 . . ?
B4 C1 B3 62.03(10) . . ?
B4 C1 B6 116.00(12) . . ?
B5 C1 H1 117.6 . . ?
B5 C1 B3 115.62(12) . . ?
B5 C1 B4 63.47(10) . . ?
B5 C1 B6 63.11(10) . . ?
B6 C1 H1 116.1 . . ?
B6 C1 B3 116.83(12) . . ?
C1 C2 H2 121.7 . . ?
C1 C2 B3 61.46(9) . . ?
C1 C2 B6 61.14(10) . . ?
C1 C2 B7 110.78(12) . . ?
C1 C2 B11 110.23(12) . . ?
B3 C2 H2 117.1 . . ?
B6 C2 H2 117.8 . . ?
B6 C2 B3 114.73(12) . . ?
B7 C2 H2 118.3 . . ?
B7 C2 B3 62.75(10) . . ?
B7 C2 B6 114.51(13) . . ?
B7 C2 B11 63.23(11) . . ?
B11 C2 H2 118.6 . . ?
B11 C2 B3 115.05(12) . . ?
B11 C2 B6 62.00(11) . . ?
C4 C3 C25 120.61(13) . . ?
C4 C3 B3 119.88(13) . . ?
C25 C3 B3 119.46(12) . . ?
C3 C4 C5 125.17(13) . . ?
C3 C4 C19 118.96(13) . . ?
C5 C4 C19 115.85(12) . . ?
C4 C5 C13 117.01(12) . . ?
C6 C5 C4 124.43(13) . . ?
C6 C5 C13 118.56(13) . . ?
C5 C6 C7 122.23(13) . . ?
C5 C6 B4 121.70(13) . . ?
C7 C6 B4 115.84(13) . . ?
C8 C7 C6 120.22(14) . . ?
C8 C7 C12 118.27(15) . . ?
C12 C7 C6 121.28(15) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.79(16) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.38(18) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.3 . . ?
C11 C10 C9 119.48(17) . . ?
C11 C10 H10 120.3 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.47(17) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 C11 120.59(17) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 C5 120.75(13) . . ?
C18 C13 C5 120.23(13) . . ?
C18 C13 C14 119.02(13) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.30(15) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.33(16) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.67(15) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.20(16) . . ?
C18 C17 H17 119.9 . . ?
C13 C18 C17 120.48(15) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C20 C19 C4 120.11(13) . . ?
C20 C19 C24 118.96(14) . . ?
C24 C19 C4 120.93(13) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 C19 120.82(15) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.73(17) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.94(16) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.61(16) . . ?
C24 C23 H23 119.7 . . ?
C19 C24 H24 120.0 . . ?
C23 C24 C19 119.94(16) . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C3 120.48(14) . . ?
C26 C25 C30 117.84(15) . . ?
C30 C25 C3 121.68(14) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 C25 121.40(16) . . ?
C27 C26 H26 119.3 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.21(17) . . ?
C28 C27 H27 119.9 . . ?
C27 C28 H28 120.3 . . ?
C27 C28 C29 119.42(16) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.78(17) . . ?
C30 C29 H29 119.6 . . ?
C25 C30 C29 120.33(16) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C1 B3 C2 55.97(9) . . ?
C1 B3 B4 58.38(9) . . ?
C1 B3 B7 102.30(12) . . ?
C1 B3 B8 103.44(12) . . ?
C2 B3 B4 103.84(12) . . ?
C2 B3 B7 57.52(10) . . ?
C2 B3 B8 103.43(11) . . ?
C3 B3 C1 116.97(12) . . ?
C3 B3 C2 125.45(13) . . ?
C3 B3 B4 115.57(12) . . ?
C3 B3 B7 132.29(14) . . ?
C3 B3 B8 128.13(13) . . ?
B4 B3 B7 107.49(12) . . ?
B4 B3 B8 60.23(10) . . ?
B8 B3 B7 59.72(10) . . ?
C1 B4 B3 59.59(9) . . ?
C1 B4 B5 57.61(10) . . ?
C1 B4 B8 104.36(12) . . ?
C1 B4 B9 103.54(12) . . ?
C6 B4 C1 115.69(12) . . ?
C6 B4 B3 113.22(12) . . ?
C6 B4 B5 121.71(14) . . ?
C6 B4 B8 127.37(14) . . ?
C6 B4 B9 132.56(13) . . ?
B3 B4 B5 108.69(12) . . ?
B3 B4 B8 60.26(10) . . ?
B3 B4 B9 109.08(12) . . ?
B5 B4 B8 107.97(12) . . ?
B5 B4 B9 59.74(10) . . ?
B8 B4 B9 60.43(10) . . ?
C1 B5 B4 58.92(9) . . ?
C1 B5 H5 124.7 . . ?
C1 B5 B6 59.35(10) . . ?
C1 B5 B9 104.90(13) . . ?
C1 B5 B10 104.70(13) . . ?
B4 B5 H5 120.8 . . ?
B6 B5 B4 109.16(13) . . ?
B6 B5 H5 121.1 . . ?
B9 B5 B4 60.19(10) . . ?
B9 B5 H5 122.1 . . ?
B9 B5 B6 108.48(13) . . ?
B10 B5 B4 108.90(13) . . ?
B10 B5 H5 122.3 . . ?
B10 B5 B6 59.41(10) . . ?
B10 B5 B9 60.70(10) . . ?
C1 B6 C2 56.36(9) . . ?
C1 B6 B5 57.55(9) . . ?
C1 B6 H6 125.8 . . ?
C1 B6 B10 103.98(13) . . ?
C1 B6 B11 103.39(13) . . ?
C2 B6 B5 103.45(12) . . ?
C2 B6 H6 125.1 . . ?
C2 B6 B10 104.93(14) . . ?
C2 B6 B11 58.17(10) . . ?
B5 B6 H6 122.6 . . ?
B10 B6 B5 60.25(10) . . ?
B10 B6 H6 122.4 . . ?
B10 B6 B11 60.88(11) . . ?
B11 B6 B5 108.00(13) . . ?
B11 B6 H6 122.2 . . ?
C2 B7 B3 59.73(10) . . ?
C2 B7 H7 124.6 . . ?
C2 B7 B8 105.14(13) . . ?
C2 B7 B11 58.43(10) . . ?
C2 B7 B12 104.25(14) . . ?
B3 B7 H7 121.0 . . ?
B8 B7 B3 59.75(10) . . ?
B8 B7 H7 122.3 . . ?
B8 B7 B11 108.05(14) . . ?
B8 B7 B12 60.10(10) . . ?
B11 B7 B3 108.65(13) . . ?
B11 B7 H7 121.5 . . ?
B11 B7 B12 59.64(11) . . ?
B12 B7 B3 107.94(13) . . ?
B12 B7 H7 122.8 . . ?
B3 B8 H8A 121.4 . . ?
B3 B8 B9 108.00(13) . . ?
B3 B8 B12 108.62(13) . . ?
B4 B8 B3 59.50(9) . . ?
B4 B8 H8A 122.3 . . ?
B4 B8 B9 59.83(10) . . ?
B4 B8 B12 107.50(13) . . ?
B7 B8 B3 60.53(10) . . ?
B7 B8 B4 107.55(13) . . ?
B7 B8 H8A 121.6 . . ?
B7 B8 B9 107.94(13) . . ?
B7 B8 B12 60.18(10) . . ?
B9 B8 H8A 121.8 . . ?
B12 B8 H8A 121.6 . . ?
B12 B8 B9 59.80(11) . . ?
B4 B9 B8 59.74(10) . . ?
B4 B9 H9A 121.8 . . ?
B4 B9 B10 107.97(12) . . ?
B4 B9 B12 107.54(13) . . ?
B5 B9 B4 60.07(10) . . ?
B5 B9 B8 107.69(13) . . ?
B5 B9 H9A 122.1 . . ?
B5 B9 B10 59.65(10) . . ?
B5 B9 B12 107.35(13) . . ?
B8 B9 H9A 121.7 . . ?
B10 B9 B8 108.18(13) . . ?
B10 B9 H9A 121.6 . . ?
B12 B9 B8 59.95(11) . . ?
B12 B9 H9A 122.0 . . ?
B12 B9 B10 60.06(11) . . ?
B5 B10 B9 59.65(10) . . ?
B5 B10 H10A 122.2 . . ?
B5 B10 B11 107.32(13) . . ?
B5 B10 B12 107.09(13) . . ?
B6 B10 B5 60.34(10) . . ?
B6 B10 B9 108.38(12) . . ?
B6 B10 H10A 121.3 . . ?
B6 B10 B11 59.91(11) . . ?
B6 B10 B12 107.88(14) . . ?
B9 B10 H10A 121.8 . . ?
B11 B10 B9 107.38(14) . . ?
B11 B10 H10A 122.2 . . ?
B11 B10 B12 59.56(11) . . ?
B12 B10 B9 59.74(11) . . ?
B12 B10 H10A 122.2 . . ?
C2 B11 B6 59.83(10) . . ?
C2 B11 B7 58.34(10) . . ?
C2 B11 B10 104.90(12) . . ?
C2 B11 H11A 124.6 . . ?
C2 B11 B12 104.65(12) . . ?
B6 B11 B7 108.72(12) . . ?
B6 B11 B10 59.21(11) . . ?
B6 B11 H11A 121.2 . . ?
B6 B11 B12 107.88(13) . . ?
B7 B11 B10 108.44(13) . . ?
B7 B11 H11A 121.2 . . ?
B10 B11 H11A 122.4 . . ?
B12 B11 B7 60.24(11) . . ?
B12 B11 B10 60.26(11) . . ?
B12 B11 H11A 122.4 . . ?
B7 B12 B10 108.28(13) . . ?
B7 B12 H12A 121.8 . . ?
B8 B12 B7 59.72(10) . . ?
B8 B12 B10 108.54(13) . . ?
B8 B12 H12A 121.6 . . ?
B9 B12 B7 107.94(12) . . ?
B9 B12 B8 60.26(10) . . ?
B9 B12 B10 60.20(11) . . ?
B9 B12 H12A 121.6 . . ?
B10 B12 H12A 121.4 . . ?
B11 B12 B7 60.12(11) . . ?
B11 B12 B8 108.14(12) . . ?
B11 B12 B9 108.24(14) . . ?
B11 B12 B10 60.18(11) . . ?
B11 B12 H12A 121.6 . . ?
C2A C1A H1A 120.4 . . ?
C2A C1A B3A 62.00(10) . . ?
C2A C1A B4A 111.76(12) . . ?
C2A C1A B5A 112.50(12) . . ?
C2A C1A B6A 62.12(10) . . ?
B3A C1A H1A 117.3 . . ?
B4A C1A H1A 117.9 . . ?
B4A C1A B3A 61.87(10) . . ?
B4A C1A B6A 116.57(13) . . ?
B5A C1A H1A 117.4 . . ?
B5A C1A B3A 115.42(12) . . ?
B5A C1A B4A 63.95(10) . . ?
B5A C1A B6A 63.33(11) . . ?
B6A C1A H1A 116.2 . . ?
B6A C1A B3A 116.06(12) . . ?
C1A C2A H2A 120.6 . . ?
C1A C2A B3A 62.38(10) . . ?
C1A C2A B6A 61.75(10) . . ?
C1A C2A B7A 111.91(12) . . ?
C1A C2A B11A 111.39(12) . . ?
B3A C2A H2A 116.5 . . ?
B6A C2A H2A 117.1 . . ?
B6A C2A B3A 116.06(12) . . ?
B7A C2A H2A 118.1 . . ?
B7A C2A B3A 62.72(10) . . ?
B7A C2A B6A 115.20(13) . . ?
B7A C2A B11A 63.24(11) . . ?
B11A C2A H2A 118.4 . . ?
B11A C2A B3A 115.51(13) . . ?
B11A C2A B6A 62.35(11) . . ?
C4A C3A C25A 122.88(13) . . ?
C4A C3A B3A 119.18(13) . . ?
C25A C3A B3A 117.56(13) . . ?
C3A C4A C5A 124.36(13) . . ?
C3A C4A C19A 120.29(13) . . ?
C5A C4A C19A 115.33(12) . . ?
C4A C5A C13A 114.70(12) . . ?
C6A C5A C4A 124.88(13) . . ?
C6A C5A C13A 120.25(13) . . ?
C5A C6A C7A 120.21(13) . . ?
C5A C6A B4A 121.52(13) . . ?
C7A C6A B4A 117.83(13) . . ?
C8A C7A C6A 121.13(14) . . ?
C12A C7A C6A 120.70(14) . . ?
C12A C7A C8A 118.17(14) . . ?
C7A C8A H8AA 119.4 . . ?
C9A C8A C7A 121.10(16) . . ?
C9A C8A H8AA 119.4 . . ?
C8A C9A H9AA 119.9 . . ?
C10A C9A C8A 120.23(17) . . ?
C10A C9A H9AA 119.9 . . ?
C9A C10A H10B 120.4 . . ?
C11A C10A C9A 119.25(16) . . ?
C11A C10A H10B 120.4 . . ?
C10A C11A H11B 119.6 . . ?
C10A C11A C12A 120.87(17) . . ?
C12A C11A H11B 119.6 . . ?
C7A C12A C11A 120.36(16) . . ?
C7A C12A H12B 119.8 . . ?
C11A C12A H12B 119.8 . . ?
C14A C13A C5A 122.81(14) . . ?
C14A C13A C18A 118.42(14) . . ?
C18A C13A C5A 118.76(13) . . ?
C13A C14A H14A 119.8 . . ?
C13A C14A C15A 120.47(15) . . ?
C15A C14A H14A 119.8 . . ?
C14A C15A H15A 119.8 . . ?
C16A C15A C14A 120.43(15) . . ?
C16A C15A H15A 119.8 . . ?
C15A C16A H16A 120.2 . . ?
C17A C16A C15A 119.53(15) . . ?
C17A C16A H16A 120.2 . . ?
C16A C17A H17A 120.0 . . ?
C16A C17A C18A 120.09(16) . . ?
C18A C17A H17A 120.0 . . ?
C13A C18A H18A 119.5 . . ?
C17A C18A C13A 121.04(15) . . ?
C17A C18A H18A 119.5 . . ?
C20A C19A C4A 118.69(14) . . ?
C24A C19A C4A 122.48(15) . . ?
C24A C19A C20A 118.83(15) . . ?
C19A C20A H20A 119.5 . . ?
C21A C20A C19A 120.99(16) . . ?
C21A C20A H20A 119.5 . . ?
C20A C21A H21A 120.3 . . ?
C22A C21A C20A 119.35(18) . . ?
C22A C21A H21A 120.3 . . ?
C21A C22A H22A 119.8 . . ?
C23A C22A C21A 120.33(16) . . ?
C23A C22A H22A 119.8 . . ?
C22A C23A H23A 119.8 . . ?
C22A C23A C24A 120.31(17) . . ?
C24A C23A H23A 119.8 . . ?
C19A C24A C23A 120.18(18) . . ?
C19A C24A H24A 119.9 . . ?
C23A C24A H24A 119.9 . . ?
C26A C25A C3A 120.36(16) . . ?
C30A C25A C3A 120.98(16) . . ?
C30A C25A C26A 118.58(16) . . ?
C25A C26A H26A 120.2 . . ?
C27A C26A C25A 119.7(2) . . ?
C27A C26A H26A 120.2 . . ?
C26A C27A H27A 119.6 . . ?
C28A C27A C26A 120.8(2) . . ?
C28A C27A H27A 119.6 . . ?
C27A C28A H28A 120.2 . . ?
C29A C28A C27A 119.65(18) . . ?
C29A C28A H28A 120.2 . . ?
C28A C29A H29A 119.9 . . ?
C28A C29A C30A 120.2(2) . . ?
C30A C29A H29A 119.9 . . ?
C25A C30A C29A 121.1(2) . . ?
C25A C30A H30A 119.4 . . ?
C29A C30A H30A 119.4 . . ?
C1A B3A B4A 57.88(9) . . ?
C1A B3A B7A 102.32(12) . . ?
C1A B3A B8A 103.68(12) . . ?
C2A B3A C1A 55.62(9) . . ?
C2A B3A B4A 103.37(12) . . ?
C2A B3A B7A 57.43(10) . . ?
C2A B3A B8A 103.51(12) . . ?
C3A B3A C1A 113.77(13) . . ?
C3A B3A C2A 121.30(13) . . ?
C3A B3A B4A 116.79(12) . . ?
C3A B3A B7A 132.21(13) . . ?
C3A B3A B8A 132.49(15) . . ?
B4A B3A B7A 108.52(12) . . ?
B8A B3A B4A 61.14(10) . . ?
B8A B3A B7A 60.21(10) . . ?
C1A B4A B3A 60.25(10) . . ?
C1A B4A B5A 57.62(10) . . ?
C1A B4A B8A 104.05(12) . . ?
C1A B4A B9A 102.93(12) . . ?
C6A B4A C1A 120.08(13) . . ?
C6A B4A B3A 111.49(12) . . ?
C6A B4A B5A 127.35(13) . . ?
C6A B4A B8A 121.72(13) . . ?
C6A B4A B9A 132.01(14) . . ?
B3A B4A B5A 108.85(12) . . ?
B3A B4A B8A 59.29(10) . . ?
B3A B4A B9A 107.61(12) . . ?
B5A B4A B8A 107.44(12) . . ?
B9A B4A B5A 59.49(10) . . ?
B9A B4A B8A 59.75(10) . . ?
C1A B5A B4A 58.42(9) . . ?
C1A B5A H5A 125.2 . . ?
C1A B5A B6A 59.34(10) . . ?
C1A B5A B9A 103.99(12) . . ?
C1A B5A B10A 104.10(13) . . ?
B4A B5A H5A 121.0 . . ?
B6A B5A B4A 108.74(12) . . ?
B6A B5A H5A 121.3 . . ?
B9A B5A B4A 60.09(10) . . ?
B9A B5A H5A 122.6 . . ?
B9A B5A B6A 107.72(13) . . ?
B9A B5A B10A 60.36(11) . . ?
B10A B5A B4A 108.50(13) . . ?
B10A B5A H5A 122.6 . . ?
B10A B5A B6A 59.08(11) . . ?
C1A B6A C2A 56.12(9) . . ?
C1A B6A B5A 57.33(10) . . ?
C1A B6A H6A 125.9 . . ?
C1A B6A B10A 103.54(13) . . ?
C1A B6A B11A 103.43(13) . . ?
C2A B6A B5A 102.91(12) . . ?
C2A B6A H6A 125.7 . . ?
C2A B6A B10A 104.05(14) . . ?
C2A B6A B11A 58.02(10) . . ?
B5A B6A H6A 122.6 . . ?
B10A B6A B5A 60.34(11) . . ?
B10A B6A H6A 122.8 . . ?
B10A B6A B11A 60.78(11) . . ?
B11A B6A B5A 108.29(14) . . ?
B11A B6A H6A 122.0 . . ?
C2A B7A B3A 59.85(10) . . ?
C2A B7A H7A 124.8 . . ?
C2A B7A B8A 104.67(12) . . ?
C2A B7A B11A 58.56(10) . . ?
C2A B7A B12A 104.29(13) . . ?
B3A B7A H7A 120.9 . . ?
B8A B7A B3A 59.33(10) . . ?
B8A B7A H7A 122.5 . . ?
B11A B7A B3A 109.28(13) . . ?
B11A B7A H7A 120.9 . . ?
B11A B7A B8A 108.55(13) . . ?
B12A B7A B3A 108.08(13) . . ?
B12A B7A H7A 122.6 . . ?
B12A B7A B8A 60.27(10) . . ?
B12A B7A B11A 60.04(11) . . ?
B3A B8A B4A 59.57(10) . . ?
B3A B8A B7A 60.45(10) . . ?
B3A B8A H8AB 121.5 . . ?
B3A B8A B9A 107.89(13) . . ?
B3A B8A B12A 108.46(13) . . ?
B4A B8A H8AB 122.1 . . ?
B7A B8A B4A 107.48(13) . . ?
B7A B8A H8AB 122.0 . . ?
B7A B8A B9A 107.62(13) . . ?
B7A B8A B12A 59.64(10) . . ?
B9A B8A B4A 59.81(9) . . ?
B9A B8A H8AB 121.8 . . ?
B12A B8A B4A 108.00(13) . . ?
B12A B8A H8AB 121.5 . . ?
B12A B8A B9A 60.30(10) . . ?
B4A B9A H9AB 121.3 . . ?
B4A B9A B10A 108.52(13) . . ?
B4A B9A B12A 108.09(12) . . ?
B5A B9A B4A 60.42(10) . . ?
B5A B9A B8A 108.71(13) . . ?
B5A B9A H9AB 121.4 . . ?
B5A B9A B10A 60.06(11) . . ?
B5A B9A B12A 107.95(13) . . ?
B8A B9A B4A 60.43(10) . . ?
B8A B9A H9AB 121.4 . . ?
B8A B9A B10A 108.27(13) . . ?
B8A B9A B12A 59.80(10) . . ?
B10A B9A H9AB 121.6 . . ?
B10A B9A B12A 59.94(11) . . ?
B12A B9A H9AB 122.0 . . ?
B5A B10A B9A 59.58(10) . . ?
B5A B10A H10C 121.8 . . ?
B5A B10A B11A 107.83(13) . . ?
B5A B10A B12A 107.70(13) . . ?
B6A B10A B5A 60.58(11) . . ?
B6A B10A B9A 108.30(13) . . ?
B6A B10A H10C 121.3 . . ?
B6A B10A B11A 59.95(11) . . ?
B6A B10A B12A 107.99(13) . . ?
B9A B10A H10C 121.8 . . ?
B11A B10A B9A 107.53(13) . . ?
B11A B10A H10C 122.1 . . ?
B11A B10A B12A 59.52(11) . . ?
B12A B10A B9A 60.11(11) . . ?
B12A B10A H10C 121.9 . . ?
C2A B11A B6A 59.64(10) . . ?
C2A B11A B7A 58.21(10) . . ?
C2A B11A B10A 104.12(12) . . ?
C2A B11A H11C 125.2 . . ?
C2A B11A B12A 103.86(13) . . ?
B6A B11A B7A 108.80(13) . . ?
B6A B11A B10A 59.27(11) . . ?
B6A B11A H11C 121.0 . . ?
B6A B11A B12A 108.05(13) . . ?
B7A B11A B10A 108.02(14) . . ?
B7A B11A H11C 121.3 . . ?
B10A B11A H11C 122.7 . . ?
B12A B11A B7A 59.83(11) . . ?
B12A B11A B10A 60.27(11) . . ?
B12A B11A H11C 122.6 . . ?
B7A B12A B8A 60.09(10) . . ?
B7A B12A B9A 107.66(12) . . ?
B7A B12A B10A 108.22(14) . . ?
B7A B12A B11A 60.14(11) . . ?
B7A B12A H12C 121.8 . . ?
B8A B12A B9A 59.90(10) . . ?
B8A B12A B10A 108.36(13) . . ?
B8A B12A H12C 121.4 . . ?
B9A B12A H12C 122.0 . . ?
B10A B12A B9A 59.95(10) . . ?
B10A B12A H12C 121.5 . . ?
B11A B12A B8A 108.48(13) . . ?
B11A B12A B9A 107.96(13) . . ?
B11A B12A B10A 60.21(11) . . ?
B11A B12A H12C 121.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B3 C3 -101.01(16) . . . . ?
C1 C2 B3 B4 35.13(10) . . . . ?
C1 C2 B3 B7 137.26(13) . . . . ?
C1 C2 B3 B8 97.30(12) . . . . ?
C1 C2 B6 B5 -34.72(11) . . . . ?
C1 C2 B6 B10 -97.06(13) . . . . ?
C1 C2 B6 B11 -137.76(13) . . . . ?
C1 C2 B7 B3 -39.62(12) . . . . ?
C1 C2 B7 B8 0.72(16) . . . . ?
C1 C2 B7 B11 102.88(14) . . . . ?
C1 C2 B7 B12 63.07(14) . . . . ?
C1 C2 B11 B6 38.87(12) . . . . ?
C1 C2 B11 B7 -103.75(14) . . . . ?
C1 C2 B11 B10 -1.01(17) . . . . ?
C1 C2 B11 B12 -63.56(16) . . . . ?
C1 B3 B4 C6 -107.17(14) . . . . ?
C1 B3 B4 B5 31.32(11) . . . . ?
C1 B3 B4 B8 131.80(12) . . . . ?
C1 B3 B4 B9 94.83(13) . . . . ?
C1 B3 B7 C2 35.15(11) . . . . ?
C1 B3 B7 B8 -98.52(13) . . . . ?
C1 B3 B7 B11 1.96(16) . . . . ?
C1 B3 B7 B12 -61.20(15) . . . . ?
C1 B3 B8 B4 -40.75(10) . . . . ?
C1 B3 B8 B7 96.55(12) . . . . ?
C1 B3 B8 B9 -4.31(15) . . . . ?
C1 B3 B8 B12 59.03(15) . . . . ?
C1 B4 B5 B6 32.91(11) . . . . ?
C1 B4 B5 B9 133.73(13) . . . . ?
C1 B4 B5 B10 96.14(14) . . . . ?
C1 B4 B8 B3 41.58(11) . . . . ?
C1 B4 B8 B7 3.32(16) . . . . ?
C1 B4 B8 B9 -97.62(12) . . . . ?
C1 B4 B8 B12 -60.12(15) . . . . ?
C1 B4 B9 B5 -38.87(12) . . . . ?
C1 B4 B9 B8 99.01(13) . . . . ?
C1 B4 B9 B10 -1.97(17) . . . . ?
C1 B4 B9 B12 61.43(16) . . . . ?
C1 B5 B6 C2 34.19(11) . . . . ?
C1 B5 B6 B10 133.88(14) . . . . ?
C1 B5 B6 B11 94.69(14) . . . . ?
C1 B5 B9 B4 39.82(11) . . . . ?
C1 B5 B9 B8 2.38(16) . . . . ?
C1 B5 B9 B10 -98.74(13) . . . . ?
C1 B5 B9 B12 -60.81(15) . . . . ?
C1 B5 B10 B6 -39.87(12) . . . . ?
C1 B5 B10 B9 99.07(14) . . . . ?
C1 B5 B10 B11 -1.31(17) . . . . ?
C1 B5 B10 B12 61.35(16) . . . . ?
C1 B6 B10 B5 38.81(12) . . . . ?
C1 B6 B10 B9 2.14(18) . . . . ?
C1 B6 B10 B11 -97.73(14) . . . . ?
C1 B6 B10 B12 -61.07(16) . . . . ?
C1 B6 B11 C2 -35.12(11) . . . . ?
C1 B6 B11 B7 -2.05(17) . . . . ?
C1 B6 B11 B10 98.72(13) . . . . ?
C1 B6 B11 B12 61.76(15) . . . . ?
C2 C1 B3 C3 116.21(15) . . . . ?
C2 C1 B3 B4 -138.99(12) . . . . ?
C2 C1 B3 B7 -35.87(11) . . . . ?
C2 C1 B3 B8 -97.28(12) . . . . ?
C2 C1 B4 C6 141.92(13) . . . . ?
C2 C1 B4 B3 38.93(11) . . . . ?
C2 C1 B4 B5 -105.40(13) . . . . ?
C2 C1 B4 B8 -3.00(15) . . . . ?
C2 C1 B4 B9 -65.46(15) . . . . ?
C2 C1 B5 B4 104.19(13) . . . . ?
C2 C1 B5 B6 -39.18(13) . . . . ?
C2 C1 B5 B9 63.74(15) . . . . ?
C2 C1 B5 B10 0.72(17) . . . . ?
C2 C1 B6 B5 138.97(13) . . . . ?
C2 C1 B6 B10 98.81(14) . . . . ?
C2 C1 B6 B11 35.96(11) . . . . ?
C2 B3 B4 C1 -34.06(10) . . . . ?
C2 B3 B4 C6 -141.23(13) . . . . ?
C2 B3 B4 B5 -2.74(15) . . . . ?
C2 B3 B4 B8 97.74(12) . . . . ?
C2 B3 B4 B9 60.78(15) . . . . ?
C2 B3 B7 B8 -133.67(14) . . . . ?
C2 B3 B7 B11 -33.19(12) . . . . ?
C2 B3 B7 B12 -96.35(14) . . . . ?
C2 B3 B8 B4 -98.44(13) . . . . ?
C2 B3 B8 B7 38.86(12) . . . . ?
C2 B3 B8 B9 -62.00(14) . . . . ?
C2 B3 B8 B12 1.34(17) . . . . ?
C2 B6 B10 B5 97.18(13) . . . . ?
C2 B6 B10 B9 60.51(16) . . . . ?
C2 B6 B10 B11 -39.36(11) . . . . ?
C2 B6 B10 B12 -2.70(16) . . . . ?
C2 B6 B11 B7 33.07(12) . . . . ?
C2 B6 B11 B10 133.84(13) . . . . ?
C2 B6 B11 B12 96.88(13) . . . . ?
C2 B7 B8 B3 -40.33(12) . . . . ?
C2 B7 B8 B4 -2.53(16) . . . . ?
C2 B7 B8 B9 60.63(15) . . . . ?
C2 B7 B8 B12 97.97(14) . . . . ?
C2 B7 B11 B6 -33.66(12) . . . . ?
C2 B7 B11 B10 -96.48(14) . . . . ?
C2 B7 B11 B12 -134.02(13) . . . . ?
C2 B7 B12 B8 -99.49(13) . . . . ?
C2 B7 B12 B9 -61.94(15) . . . . ?
C2 B7 B12 B10 1.75(15) . . . . ?
C2 B7 B12 B11 39.21(11) . . . . ?
C2 B11 B12 B7 -39.25(12) . . . . ?
C2 B11 B12 B8 -2.39(18) . . . . ?
C2 B11 B12 B9 61.40(17) . . . . ?
C2 B11 B12 B10 99.02(14) . . . . ?
C3 C4 C5 C6 2.7(2) . . . . ?
C3 C4 C5 C13 -176.71(14) . . . . ?
C3 C4 C19 C20 67.83(19) . . . . ?
C3 C4 C19 C24 -112.82(17) . . . . ?
C3 C25 C26 C27 177.61(13) . . . . ?
C3 C25 C30 C29 -178.66(14) . . . . ?
C3 B3 B4 C1 107.21(14) . . . . ?
C3 B3 B4 C6 0.04(19) . . . . ?
C3 B3 B4 B5 138.53(13) . . . . ?
C3 B3 B4 B8 -120.99(15) . . . . ?
C3 B3 B4 B9 -157.96(13) . . . . ?
C3 B3 B7 C2 -110.52(19) . . . . ?
C3 B3 B7 B8 115.82(19) . . . . ?
C3 B3 B7 B11 -143.71(16) . . . . ?
C3 B3 B7 B12 153.13(16) . . . . ?
C3 B3 B8 B4 100.55(17) . . . . ?
C3 B3 B8 B7 -122.16(18) . . . . ?
C3 B3 B8 B9 136.99(15) . . . . ?
C3 B3 B8 B12 -159.68(15) . . . . ?
C4 C3 C25 C26 -116.81(16) . . . . ?
C4 C3 C25 C30 62.4(2) . . . . ?
C4 C3 B3 C1 66.32(18) . . . . ?
C4 C3 B3 C2 132.21(16) . . . . ?
C4 C3 B3 B4 0.4(2) . . . . ?
C4 C3 B3 B7 -151.88(16) . . . . ?
C4 C3 B3 B8 -70.7(2) . . . . ?
C4 C5 C6 C7 -176.23(14) . . . . ?
C4 C5 C6 B4 -2.0(2) . . . . ?
C4 C5 C13 C14 66.06(19) . . . . ?
C4 C5 C13 C18 -114.62(16) . . . . ?
C4 C19 C20 C21 179.18(14) . . . . ?
C4 C19 C24 C23 -179.79(15) . . . . ?
C5 C4 C19 C20 -110.82(16) . . . . ?
C5 C4 C19 C24 68.52(18) . . . . ?
C5 C6 C7 C8 74.8(2) . . . . ?
C5 C6 C7 C12 -110.86(18) . . . . ?
C5 C6 B4 C1 -65.4(2) . . . . ?
C5 C6 B4 B3 0.8(2) . . . . ?
C5 C6 B4 B5 -131.69(16) . . . . ?
C5 C6 B4 B8 70.2(2) . . . . ?
C5 C6 B4 B9 152.02(17) . . . . ?
C5 C13 C14 C15 179.78(15) . . . . ?
C5 C13 C18 C17 -179.61(16) . . . . ?
C6 C5 C13 C14 -113.35(17) . . . . ?
C6 C5 C13 C18 66.0(2) . . . . ?
C6 C7 C8 C9 175.07(15) . . . . ?
C6 C7 C12 C11 -175.79(15) . . . . ?
C6 B4 B5 C1 102.21(15) . . . . ?
C6 B4 B5 B6 135.12(14) . . . . ?
C6 B4 B5 B9 -124.05(16) . . . . ?
C6 B4 B5 B10 -161.65(13) . . . . ?
C6 B4 B8 B3 -97.76(16) . . . . ?
C6 B4 B8 B7 -136.02(15) . . . . ?
C6 B4 B8 B9 123.03(17) . . . . ?
C6 B4 B8 B12 160.54(15) . . . . ?
C6 B4 B9 B5 106.9(2) . . . . ?
C6 B4 B9 B8 -115.2(2) . . . . ?
C6 B4 B9 B10 143.78(17) . . . . ?
C6 B4 B9 B12 -152.82(17) . . . . ?
C7 C6 B4 C1 109.18(15) . . . . ?
C7 C6 B4 B3 175.30(13) . . . . ?
C7 C6 B4 B5 42.85(19) . . . . ?
C7 C6 B4 B8 -115.28(17) . . . . ?
C7 C6 B4 B9 -33.4(2) . . . . ?
C7 C8 C9 C10 0.2(3) . . . . ?
C8 C7 C12 C11 -1.3(2) . . . . ?
C8 C9 C10 C11 -0.1(3) . . . . ?
C9 C10 C11 C12 -0.7(3) . . . . ?
C10 C11 C12 C7 1.4(3) . . . . ?
C12 C7 C8 C9 0.6(2) . . . . ?
C13 C5 C6 C7 3.1(2) . . . . ?
C13 C5 C6 B4 177.33(13) . . . . ?
C13 C14 C15 C16 -0.6(3) . . . . ?
C14 C13 C18 C17 -0.3(2) . . . . ?
C14 C15 C16 C17 0.5(3) . . . . ?
C15 C16 C17 C18 -0.3(3) . . . . ?
C16 C17 C18 C13 0.2(3) . . . . ?
C18 C13 C14 C15 0.5(2) . . . . ?
C19 C4 C5 C6 -178.78(14) . . . . ?
C19 C4 C5 C13 1.84(19) . . . . ?
C19 C20 C21 C22 0.8(2) . . . . ?
C20 C19 C24 C23 -0.4(2) . . . . ?
C20 C21 C22 C23 -0.7(3) . . . . ?
C21 C22 C23 C24 0.1(3) . . . . ?
C22 C23 C24 C19 0.5(3) . . . . ?
C24 C19 C20 C21 -0.2(2) . . . . ?
C25 C3 C4 C5 -179.10(13) . . . . ?
C25 C3 C4 C19 2.4(2) . . . . ?
C25 C3 B3 C1 -116.26(15) . . . . ?
C25 C3 B3 C2 -50.4(2) . . . . ?
C25 C3 B3 B4 177.86(13) . . . . ?
C25 C3 B3 B7 25.6(2) . . . . ?
C25 C3 B3 B8 106.78(18) . . . . ?
C25 C26 C27 C28 1.4(2) . . . . ?
C26 C25 C30 C29 0.6(2) . . . . ?
C26 C27 C28 C29 -0.1(2) . . . . ?
C27 C28 C29 C30 -1.0(2) . . . . ?
C28 C29 C30 C25 0.7(2) . . . . ?
C30 C25 C26 C27 -1.7(2) . . . . ?
B3 C1 C2 B6 147.50(12) . . . . ?
B3 C1 C2 B7 40.19(12) . . . . ?
B3 C1 C2 B11 108.26(14) . . . . ?
B3 C1 B4 C6 103.00(15) . . . . ?
B3 C1 B4 B5 -144.33(12) . . . . ?
B3 C1 B4 B8 -41.93(11) . . . . ?
B3 C1 B4 B9 -104.39(13) . . . . ?
B3 C1 B5 B4 34.83(12) . . . . ?
B3 C1 B5 B6 -108.54(14) . . . . ?
B3 C1 B5 B9 -5.62(16) . . . . ?
B3 C1 B5 B10 -68.64(16) . . . . ?
B3 C1 B6 C2 -32.30(12) . . . . ?
B3 C1 B6 B5 106.67(14) . . . . ?
B3 C1 B6 B10 66.51(16) . . . . ?
B3 C1 B6 B11 3.65(17) . . . . ?
B3 C2 B6 C1 31.31(12) . . . . ?
B3 C2 B6 B5 -3.41(17) . . . . ?
B3 C2 B6 B10 -65.75(15) . . . . ?
B3 C2 B6 B11 -106.45(14) . . . . ?
B3 C2 B7 B8 40.34(11) . . . . ?
B3 C2 B7 B11 142.50(13) . . . . ?
B3 C2 B7 B12 102.69(13) . . . . ?
B3 C2 B11 B6 105.93(14) . . . . ?
B3 C2 B11 B7 -36.68(13) . . . . ?
B3 C2 B11 B10 66.05(17) . . . . ?
B3 C2 B11 B12 3.50(18) . . . . ?
B3 C3 C4 C5 -1.7(2) . . . . ?
B3 C3 C4 C19 179.78(13) . . . . ?
B3 C3 C25 C26 65.78(19) . . . . ?
B3 C3 C25 C30 -114.98(16) . . . . ?
B3 B4 B5 C1 -32.07(11) . . . . ?
B3 B4 B5 B6 0.84(16) . . . . ?
B3 B4 B5 B9 101.67(13) . . . . ?
B3 B4 B5 B10 64.07(15) . . . . ?
B3 B4 B8 B7 -38.26(12) . . . . ?
B3 B4 B8 B9 -139.20(13) . . . . ?
B3 B4 B8 B12 -101.70(13) . . . . ?
B3 B4 B9 B5 -100.99(13) . . . . ?
B3 B4 B9 B8 36.89(12) . . . . ?
B3 B4 B9 B10 -64.09(17) . . . . ?
B3 B4 B9 B12 -0.69(17) . . . . ?
B3 B7 B8 B4 37.80(12) . . . . ?
B3 B7 B8 B9 100.96(13) . . . . ?
B3 B7 B8 B12 138.30(14) . . . . ?
B3 B7 B11 C2 33.70(12) . . . . ?
B3 B7 B11 B6 0.04(18) . . . . ?
B3 B7 B11 B10 -62.78(16) . . . . ?
B3 B7 B11 B12 -100.31(14) . . . . ?
B3 B7 B12 B8 -37.16(12) . . . . ?
B3 B7 B12 B9 0.38(18) . . . . ?
B3 B7 B12 B10 64.08(16) . . . . ?
B3 B7 B12 B11 101.53(14) . . . . ?
B3 B8 B9 B4 -36.30(11) . . . . ?
B3 B8 B9 B5 1.30(16) . . . . ?
B3 B8 B9 B10 64.33(15) . . . . ?
B3 B8 B9 B12 101.50(13) . . . . ?
B3 B8 B12 B7 37.67(13) . . . . ?
B3 B8 B12 B9 -100.44(14) . . . . ?
B3 B8 B12 B10 -63.12(17) . . . . ?
B3 B8 B12 B11 0.64(18) . . . . ?
B4 C1 C2 B3 -38.70(12) . . . . ?
B4 C1 C2 B6 108.80(13) . . . . ?
B4 C1 C2 B7 1.49(16) . . . . ?
B4 C1 C2 B11 69.56(15) . . . . ?
B4 C1 B3 C2 138.99(12) . . . . ?
B4 C1 B3 C3 -104.80(14) . . . . ?
B4 C1 B3 B7 103.12(12) . . . . ?
B4 C1 B3 B8 41.71(11) . . . . ?
B4 C1 B5 B6 -143.37(13) . . . . ?
B4 C1 B5 B9 -40.45(11) . . . . ?
B4 C1 B5 B10 -103.47(14) . . . . ?
B4 C1 B6 C2 -102.54(14) . . . . ?
B4 C1 B6 B5 36.43(13) . . . . ?
B4 C1 B6 B10 -3.73(18) . . . . ?
B4 C1 B6 B11 -66.58(16) . . . . ?
B4 C6 C7 C8 -99.70(17) . . . . ?
B4 C6 C7 C12 74.64(19) . . . . ?
B4 B3 B7 C2 95.55(13) . . . . ?
B4 B3 B7 B8 -38.12(12) . . . . ?
B4 B3 B7 B11 62.36(16) . . . . ?
B4 B3 B7 B12 -0.80(17) . . . . ?
B4 B3 B8 B7 137.29(13) . . . . ?
B4 B3 B8 B9 36.44(11) . . . . ?
B4 B3 B8 B12 99.77(14) . . . . ?
B4 B5 B6 C1 -32.75(11) . . . . ?
B4 B5 B6 C2 1.44(16) . . . . ?
B4 B5 B6 B10 101.13(14) . . . . ?
B4 B5 B6 B11 61.94(15) . . . . ?
B4 B5 B9 B8 -37.44(11) . . . . ?
B4 B5 B9 B10 -138.56(14) . . . . ?
B4 B5 B9 B12 -100.63(14) . . . . ?
B4 B5 B10 B6 -101.57(14) . . . . ?
B4 B5 B10 B9 37.38(12) . . . . ?
B4 B5 B10 B11 -63.00(16) . . . . ?
B4 B5 B10 B12 -0.34(17) . . . . ?
B4 B8 B9 B5 37.59(11) . . . . ?
B4 B8 B9 B10 100.63(13) . . . . ?
B4 B8 B9 B12 137.79(13) . . . . ?
B4 B8 B12 B7 100.59(14) . . . . ?
B4 B8 B12 B9 -37.52(12) . . . . ?
B4 B8 B12 B10 -0.20(17) . . . . ?
B4 B8 B12 B11 63.56(17) . . . . ?
B4 B9 B10 B5 -37.09(13) . . . . ?
B4 B9 B10 B6 -0.11(19) . . . . ?
B4 B9 B10 B11 63.17(16) . . . . ?
B4 B9 B10 B12 100.30(14) . . . . ?
B4 B9 B12 B7 0.18(18) . . . . ?
B4 B9 B12 B8 37.49(12) . . . . ?
B4 B9 B12 B10 -101.03(14) . . . . ?
B4 B9 B12 B11 -63.42(16) . . . . ?
B5 C1 C2 B3 -108.07(14) . . . . ?
B5 C1 C2 B6 39.43(13) . . . . ?
B5 C1 C2 B7 -67.87(16) . . . . ?
B5 C1 C2 B11 0.19(18) . . . . ?
B5 C1 B3 C2 103.64(13) . . . . ?
B5 C1 B3 C3 -140.15(13) . . . . ?
B5 C1 B3 B4 -35.35(12) . . . . ?
B5 C1 B3 B7 67.76(15) . . . . ?
B5 C1 B3 B8 6.35(16) . . . . ?
B5 C1 B4 C6 -112.68(15) . . . . ?
B5 C1 B4 B3 144.33(12) . . . . ?
B5 C1 B4 B8 102.40(13) . . . . ?
B5 C1 B4 B9 39.94(12) . . . . ?
B5 C1 B6 C2 -138.97(13) . . . . ?
B5 C1 B6 B10 -40.16(13) . . . . ?
B5 C1 B6 B11 -103.01(14) . . . . ?
B5 B4 B8 B3 101.69(13) . . . . ?
B5 B4 B8 B7 63.43(15) . . . . ?
B5 B4 B8 B9 -37.51(12) . . . . ?
B5 B4 B8 B12 -0.01(16) . . . . ?
B5 B4 B9 B8 137.89(13) . . . . ?
B5 B4 B9 B10 36.90(13) . . . . ?
B5 B4 B9 B12 100.30(14) . . . . ?
B5 B6 B10 B9 -36.68(13) . . . . ?
B5 B6 B10 B11 -136.54(14) . . . . ?
B5 B6 B10 B12 -99.88(14) . . . . ?
B5 B6 B11 C2 -94.95(13) . . . . ?
B5 B6 B11 B7 -61.87(16) . . . . ?
B5 B6 B11 B10 38.90(12) . . . . ?
B5 B6 B11 B12 1.94(17) . . . . ?
B5 B9 B10 B6 36.98(13) . . . . ?
B5 B9 B10 B11 100.26(14) . . . . ?
B5 B9 B10 B12 137.39(14) . . . . ?
B5 B9 B12 B7 63.47(16) . . . . ?
B5 B9 B12 B8 100.78(13) . . . . ?
B5 B9 B12 B10 -37.74(12) . . . . ?
B5 B9 B12 B11 -0.13(17) . . . . ?
B5 B10 B11 C2 1.42(17) . . . . ?
B5 B10 B11 B6 -38.76(12) . . . . ?
B5 B10 B11 B7 62.49(16) . . . . ?
B5 B10 B11 B12 100.01(14) . . . . ?
B5 B10 B12 B7 -62.97(16) . . . . ?
B5 B10 B12 B8 0.34(17) . . . . ?
B5 B10 B12 B9 37.68(12) . . . . ?
B5 B10 B12 B11 -100.40(13) . . . . ?
B6 C1 C2 B3 -147.50(12) . . . . ?
B6 C1 C2 B7 -107.31(14) . . . . ?
B6 C1 C2 B11 -39.24(13) . . . . ?
B6 C1 B3 C2 32.28(12) . . . . ?
B6 C1 B3 C3 148.49(13) . . . . ?
B6 C1 B3 B4 -106.71(14) . . . . ?
B6 C1 B3 B7 -3.59(16) . . . . ?
B6 C1 B3 B8 -65.01(15) . . . . ?
B6 C1 B4 C6 -148.97(14) . . . . ?
B6 C1 B4 B3 108.03(14) . . . . ?
B6 C1 B4 B5 -36.30(13) . . . . ?
B6 C1 B4 B8 66.10(16) . . . . ?
B6 C1 B4 B9 3.64(18) . . . . ?
B6 C1 B5 B4 143.37(13) . . . . ?
B6 C1 B5 B9 102.92(13) . . . . ?
B6 C1 B5 B10 39.90(12) . . . . ?
B6 C2 B3 C1 -31.20(12) . . . . ?
B6 C2 B3 C3 -132.21(15) . . . . ?
B6 C2 B3 B4 3.93(16) . . . . ?
B6 C2 B3 B7 106.05(14) . . . . ?
B6 C2 B3 B8 66.10(16) . . . . ?
B6 C2 B7 B3 -106.40(13) . . . . ?
B6 C2 B7 B8 -66.05(15) . . . . ?
B6 C2 B7 B11 36.10(13) . . . . ?
B6 C2 B7 B12 -3.70(16) . . . . ?
B6 C2 B11 B7 -142.61(13) . . . . ?
B6 C2 B11 B10 -39.88(12) . . . . ?
B6 C2 B11 B12 -102.42(14) . . . . ?
B6 B5 B9 B4 101.96(13) . . . . ?
B6 B5 B9 B8 64.52(15) . . . . ?
B6 B5 B9 B10 -36.60(12) . . . . ?
B6 B5 B9 B12 1.33(17) . . . . ?
B6 B5 B10 B9 138.94(14) . . . . ?
B6 B5 B10 B11 38.56(13) . . . . ?
B6 B5 B10 B12 101.22(14) . . . . ?
B6 B10 B11 C2 40.18(12) . . . . ?
B6 B10 B11 B7 101.25(13) . . . . ?
B6 B10 B11 B12 138.77(13) . . . . ?
B6 B10 B12 B7 0.62(16) . . . . ?
B6 B10 B12 B8 63.93(16) . . . . ?
B6 B10 B12 B9 101.27(13) . . . . ?
B6 B10 B12 B11 -36.81(12) . . . . ?
B6 B11 B12 B7 -101.77(13) . . . . ?
B6 B11 B12 B8 -64.91(17) . . . . ?
B6 B11 B12 B9 -1.12(17) . . . . ?
B6 B11 B12 B10 36.50(12) . . . . ?
B7 C2 B3 C1 -137.26(13) . . . . ?
B7 C2 B3 C3 121.73(17) . . . . ?
B7 C2 B3 B4 -102.13(13) . . . . ?
B7 C2 B3 B8 -39.96(12) . . . . ?
B7 C2 B6 C1 101.18(13) . . . . ?
B7 C2 B6 B5 66.46(15) . . . . ?
B7 C2 B6 B10 4.13(16) . . . . ?
B7 C2 B6 B11 -36.57(13) . . . . ?
B7 C2 B11 B6 142.61(13) . . . . ?
B7 C2 B11 B10 102.74(14) . . . . ?
B7 C2 B11 B12 40.19(13) . . . . ?
B7 B3 B4 C1 -93.91(13) . . . . ?
B7 B3 B4 C6 158.92(13) . . . . ?
B7 B3 B4 B5 -62.59(15) . . . . ?
B7 B3 B4 B8 37.88(12) . . . . ?
B7 B3 B4 B9 0.92(17) . . . . ?
B7 B3 B8 B4 -137.29(13) . . . . ?
B7 B3 B8 B9 -100.86(14) . . . . ?
B7 B3 B8 B12 -37.52(13) . . . . ?
B7 B8 B9 B4 -100.28(13) . . . . ?
B7 B8 B9 B5 -62.69(15) . . . . ?
B7 B8 B9 B10 0.35(16) . . . . ?
B7 B8 B9 B12 37.51(12) . . . . ?
B7 B8 B12 B9 -138.11(14) . . . . ?
B7 B8 B12 B10 -100.79(14) . . . . ?
B7 B8 B12 B11 -37.03(13) . . . . ?
B7 B11 B12 B8 36.86(13) . . . . ?
B7 B11 B12 B9 100.65(14) . . . . ?
B7 B11 B12 B10 138.27(13) . . . . ?
B8 B3 B4 C1 -131.80(12) . . . . ?
B8 B3 B4 C6 121.03(15) . . . . ?
B8 B3 B4 B5 -100.48(13) . . . . ?
B8 B3 B4 B9 -36.96(12) . . . . ?
B8 B3 B7 C2 133.67(14) . . . . ?
B8 B3 B7 B11 100.48(15) . . . . ?
B8 B3 B7 B12 37.31(13) . . . . ?
B8 B4 B5 C1 -95.92(13) . . . . ?
B8 B4 B5 B6 -63.00(15) . . . . ?
B8 B4 B5 B9 37.82(12) . . . . ?
B8 B4 B5 B10 0.22(17) . . . . ?
B8 B4 B9 B5 -137.89(13) . . . . ?
B8 B4 B9 B10 -100.98(14) . . . . ?
B8 B4 B9 B12 -37.58(12) . . . . ?
B8 B7 B11 C2 97.02(13) . . . . ?
B8 B7 B11 B6 63.36(16) . . . . ?
B8 B7 B11 B10 0.53(17) . . . . ?
B8 B7 B11 B12 -37.00(12) . . . . ?
B8 B7 B12 B9 37.55(13) . . . . ?
B8 B7 B12 B10 101.24(14) . . . . ?
B8 B7 B12 B11 138.70(14) . . . . ?
B8 B9 B10 B5 -100.27(13) . . . . ?
B8 B9 B10 B6 -63.30(17) . . . . ?
B8 B9 B10 B11 -0.02(16) . . . . ?
B8 B9 B10 B12 37.11(12) . . . . ?
B8 B9 B12 B7 -37.31(13) . . . . ?
B8 B9 B12 B10 -138.52(13) . . . . ?
B8 B9 B12 B11 -100.91(14) . . . . ?
B9 B4 B5 C1 -133.73(13) . . . . ?
B9 B4 B5 B6 -100.82(14) . . . . ?
B9 B4 B5 B10 -37.60(12) . . . . ?
B9 B4 B8 B3 139.20(13) . . . . ?
B9 B4 B8 B7 100.94(14) . . . . ?
B9 B4 B8 B12 37.50(12) . . . . ?
B9 B5 B6 C1 -96.72(14) . . . . ?
B9 B5 B6 C2 -62.53(15) . . . . ?
B9 B5 B6 B10 37.16(13) . . . . ?
B9 B5 B6 B11 -2.03(16) . . . . ?
B9 B5 B10 B6 -138.94(14) . . . . ?
B9 B5 B10 B11 -100.38(15) . . . . ?
B9 B5 B10 B12 -37.72(13) . . . . ?
B9 B8 B12 B7 138.11(14) . . . . ?
B9 B8 B12 B10 37.32(12) . . . . ?
B9 B8 B12 B11 101.08(15) . . . . ?
B9 B10 B11 C2 -61.38(16) . . . . ?
B9 B10 B11 B6 -101.57(13) . . . . ?
B9 B10 B11 B7 -0.32(17) . . . . ?
B9 B10 B11 B12 37.21(12) . . . . ?
B9 B10 B12 B7 -100.64(13) . . . . ?
B9 B10 B12 B8 -37.34(12) . . . . ?
B9 B10 B12 B11 -138.08(13) . . . . ?
B10 B5 B6 C1 -133.88(14) . . . . ?
B10 B5 B6 C2 -99.69(14) . . . . ?
B10 B5 B6 B11 -39.19(12) . . . . ?
B10 B5 B9 B4 138.56(14) . . . . ?
B10 B5 B9 B8 101.11(14) . . . . ?
B10 B5 B9 B12 37.93(12) . . . . ?
B10 B6 B11 C2 -133.84(13) . . . . ?
B10 B6 B11 B7 -100.77(14) . . . . ?
B10 B6 B11 B12 -36.96(12) . . . . ?
B10 B9 B12 B7 101.21(14) . . . . ?
B10 B9 B12 B8 138.52(13) . . . . ?
B10 B9 B12 B11 37.61(12) . . . . ?
B10 B11 B12 B7 -138.27(13) . . . . ?
B10 B11 B12 B8 -101.41(14) . . . . ?
B10 B11 B12 B9 -37.62(12) . . . . ?
B11 C2 B3 C1 -100.39(14) . . . . ?
B11 C2 B3 C3 158.60(15) . . . . ?
B11 C2 B3 B4 -65.26(16) . . . . ?
B11 C2 B3 B7 36.87(14) . . . . ?
B11 C2 B3 B8 -3.09(18) . . . . ?
B11 C2 B6 C1 137.76(13) . . . . ?
B11 C2 B6 B5 103.04(13) . . . . ?
B11 C2 B6 B10 40.70(12) . . . . ?
B11 C2 B7 B3 -142.50(13) . . . . ?
B11 C2 B7 B8 -102.15(14) . . . . ?
B11 C2 B7 B12 -39.81(12) . . . . ?
B11 B6 B10 B5 136.54(14) . . . . ?
B11 B6 B10 B9 99.86(15) . . . . ?
B11 B6 B10 B12 36.66(12) . . . . ?
B11 B7 B8 B3 -101.50(14) . . . . ?
B11 B7 B8 B4 -63.70(15) . . . . ?
B11 B7 B8 B9 -0.54(16) . . . . ?
B11 B7 B8 B12 36.80(12) . . . . ?
B11 B7 B12 B8 -138.70(14) . . . . ?
B11 B7 B12 B9 -101.15(15) . . . . ?
B11 B7 B12 B10 -37.46(12) . . . . ?
B11 B10 B12 B7 37.43(12) . . . . ?
B11 B10 B12 B8 100.74(14) . . . . ?
B11 B10 B12 B9 138.08(13) . . . . ?
B12 B7 B8 B3 -138.30(14) . . . . ?
B12 B7 B8 B4 -100.49(14) . . . . ?
B12 B7 B8 B9 -37.34(12) . . . . ?
B12 B7 B11 C2 134.02(13) . . . . ?
B12 B7 B11 B6 100.36(14) . . . . ?
B12 B7 B11 B10 37.53(12) . . . . ?
B12 B8 B9 B4 -137.79(13) . . . . ?
B12 B8 B9 B5 -100.20(13) . . . . ?
B12 B8 B9 B10 -37.16(12) . . . . ?
B12 B9 B10 B5 -137.39(14) . . . . ?
B12 B9 B10 B6 -100.41(15) . . . . ?
B12 B9 B10 B11 -37.13(12) . . . . ?
B12 B10 B11 C2 -98.59(13) . . . . ?
B12 B10 B11 B6 -138.78(13) . . . . ?
B12 B10 B11 B7 -37.53(12) . . . . ?
C1A C2A B3A C3A 98.95(16) . . . . ?
C1A C2A B3A B4A -34.43(11) . . . . ?
C1A C2A B3A B7A -138.05(13) . . . . ?
C1A C2A B3A B8A -97.49(12) . . . . ?
C1A C2A B6A B5A 34.82(11) . . . . ?
C1A C2A B6A B10A 97.04(13) . . . . ?
C1A C2A B6A B11A 138.49(14) . . . . ?
C1A C2A B7A B3A 39.67(12) . . . . ?
C1A C2A B7A B8A -0.71(16) . . . . ?
C1A C2A B7A B11A -103.73(14) . . . . ?
C1A C2A B7A B12A -63.18(15) . . . . ?
C1A C2A B11A B6A -38.82(13) . . . . ?
C1A C2A B11A B7A 104.56(14) . . . . ?
C1A C2A B11A B10A 1.88(18) . . . . ?
C1A C2A B11A B12A 64.20(16) . . . . ?
C1A B3A B4A C6A 113.29(14) . . . . ?
C1A B3A B4A B5A -32.13(11) . . . . ?
C1A B3A B4A B8A -131.66(12) . . . . ?
C1A B3A B4A B9A -95.11(13) . . . . ?
C1A B3A B7A C2A -34.38(11) . . . . ?
C1A B3A B7A B8A 98.85(12) . . . . ?
C1A B3A B7A B11A -1.77(16) . . . . ?
C1A B3A B7A B12A 61.97(15) . . . . ?
C1A B3A B8A B4A 40.64(11) . . . . ?
C1A B3A B8A B7A -96.53(12) . . . . ?
C1A B3A B8A B9A 3.99(15) . . . . ?
C1A B3A B8A B12A -59.83(14) . . . . ?
C1A B4A B5A B6A -32.81(12) . . . . ?
C1A B4A B5A B9A -132.93(13) . . . . ?
C1A B4A B5A B10A -95.51(14) . . . . ?
C1A B4A B8A B3A -41.96(11) . . . . ?
C1A B4A B8A B7A -3.64(15) . . . . ?
C1A B4A B8A B9A 96.96(13) . . . . ?
C1A B4A B8A B12A 59.30(14) . . . . ?
C1A B4A B9A B5A 39.38(11) . . . . ?
C1A B4A B9A B8A -98.88(12) . . . . ?
C1A B4A B9A B10A 2.08(15) . . . . ?
C1A B4A B9A B12A -61.42(15) . . . . ?
C1A B5A B6A C2A -34.28(11) . . . . ?
C1A B5A B6A B10A -133.25(14) . . . . ?
C1A B5A B6A B11A -94.50(14) . . . . ?
C1A B5A B9A B4A -40.00(11) . . . . ?
C1A B5A B9A B8A -2.31(16) . . . . ?
C1A B5A B9A B10A 98.46(13) . . . . ?
C1A B5A B9A B12A 61.04(15) . . . . ?
C1A B5A B10A B6A 40.24(12) . . . . ?
C1A B5A B10A B9A -98.27(13) . . . . ?
C1A B5A B10A B11A 1.99(18) . . . . ?
C1A B5A B10A B12A -60.84(16) . . . . ?
C1A B6A B10A B5A -39.10(11) . . . . ?
C1A B6A B10A B9A -2.11(17) . . . . ?
C1A B6A B10A B11A 97.99(14) . . . . ?
C1A B6A B10A B12A 61.51(15) . . . . ?
C1A B6A B11A C2A 34.45(11) . . . . ?
C1A B6A B11A B7A 2.07(17) . . . . ?
C1A B6A B11A B10A -98.18(14) . . . . ?
C1A B6A B11A B12A -61.35(16) . . . . ?
C2A C1A B3A C3A -112.74(14) . . . . ?
C2A C1A B3A B4A 139.50(12) . . . . ?
C2A C1A B3A B7A 35.21(11) . . . . ?
C2A C1A B3A B8A 97.16(12) . . . . ?
C2A C1A B4A C6A -137.14(14) . . . . ?
C2A C1A B4A B3A -38.13(12) . . . . ?
C2A C1A B4A B5A 105.28(13) . . . . ?
C2A C1A B4A B8A 3.33(16) . . . . ?
C2A C1A B4A B9A 64.95(14) . . . . ?
C2A C1A B5A B4A -104.14(14) . . . . ?
C2A C1A B5A B6A 39.24(13) . . . . ?
C2A C1A B5A B9A -63.29(15) . . . . ?
C2A C1A B5A B10A -0.87(17) . . . . ?
C2A C1A B6A B5A -138.61(13) . . . . ?
C2A C1A B6A B10A -98.00(14) . . . . ?
C2A C1A B6A B11A -35.30(12) . . . . ?
C2A B3A B4A C1A 33.43(11) . . . . ?
C2A B3A B4A C6A 146.72(13) . . . . ?
C2A B3A B4A B5A 1.30(16) . . . . ?
C2A B3A B4A B8A -98.23(13) . . . . ?
C2A B3A B4A B9A -61.67(15) . . . . ?
C2A B3A B7A B8A 133.23(13) . . . . ?
C2A B3A B7A B11A 32.61(12) . . . . ?
C2A B3A B7A B12A 96.35(14) . . . . ?
C2A B3A B8A B4A 98.00(12) . . . . ?
C2A B3A B8A B7A -39.16(11) . . . . ?
C2A B3A B8A B9A 61.36(14) . . . . ?
C2A B3A B8A B12A -2.47(15) . . . . ?
C2A B6A B10A B5A -97.04(13) . . . . ?
C2A B6A B10A B9A -60.05(15) . . . . ?
C2A B6A B10A B11A 40.04(12) . . . . ?
C2A B6A B10A B12A 3.56(16) . . . . ?
C2A B6A B11A B7A -32.38(12) . . . . ?
C2A B6A B11A B10A -132.62(14) . . . . ?
C2A B6A B11A B12A -95.80(14) . . . . ?
C2A B7A B8A B3A 40.64(11) . . . . ?
C2A B7A B8A B4A 2.71(16) . . . . ?
C2A B7A B8A B9A -60.34(15) . . . . ?
C2A B7A B8A B12A -98.30(14) . . . . ?
C2A B7A B11A B6A 32.93(12) . . . . ?
C2A B7A B11A B10A 95.75(14) . . . . ?
C2A B7A B11A B12A 133.35(13) . . . . ?
C2A B7A B12A B8A 98.95(13) . . . . ?
C2A B7A B12A B9A 61.16(16) . . . . ?
C2A B7A B12A B10A -2.19(16) . . . . ?
C2A B7A B12A B11A -39.81(11) . . . . ?
C2A B11A B12A B7A 39.54(12) . . . . ?
C2A B11A B12A B8A 2.49(16) . . . . ?
C2A B11A B12A B9A -60.92(16) . . . . ?
C2A B11A B12A B10A -98.54(13) . . . . ?
C3A C4A C5A C6A 14.2(3) . . . . ?
C3A C4A C5A C13A -161.05(15) . . . . ?
C3A C4A C19A C20A -116.07(17) . . . . ?
C3A C4A C19A C24A 63.3(2) . . . . ?
C3A C25A C26A C27A -178.47(15) . . . . ?
C3A C25A C30A C29A 178.58(16) . . . . ?
C3A B3A B4A C1A -102.48(16) . . . . ?
C3A B3A B4A C6A 10.8(2) . . . . ?
C3A B3A B4A B5A -134.62(15) . . . . ?
C3A B3A B4A B8A 125.86(17) . . . . ?
C3A B3A B4A B9A 162.41(14) . . . . ?
C3A B3A B7A C2A 104.7(2) . . . . ?
C3A B3A B7A B8A -122.1(2) . . . . ?
C3A B3A B7A B11A 137.27(18) . . . . ?
C3A B3A B7A B12A -158.99(17) . . . . ?
C3A B3A B8A B4A -101.14(18) . . . . ?
C3A B3A B8A B7A 121.70(19) . . . . ?
C3A B3A B8A B9A -137.78(16) . . . . ?
C3A B3A B8A B12A 158.39(15) . . . . ?
C4A C3A C25A C26A -118.99(18) . . . . ?
C4A C3A C25A C30A 64.3(2) . . . . ?
C4A C3A B3A C1A -68.12(19) . . . . ?
C4A C3A B3A C2A -131.10(16) . . . . ?
C4A C3A B3A B4A -3.5(2) . . . . ?
C4A C3A B3A B7A 156.30(17) . . . . ?
C4A C3A B3A B8A 70.8(2) . . . . ?
C4A C5A C6A C7A -176.77(14) . . . . ?
C4A C5A C6A B4A -4.6(2) . . . . ?
C4A C5A C13A C14A -116.13(16) . . . . ?
C4A C5A C13A C18A 62.52(19) . . . . ?
C4A C19A C20A C21A 178.80(14) . . . . ?
C4A C19A C24A C23A -179.47(16) . . . . ?
C5A C4A C19A C20A 62.48(19) . . . . ?
C5A C4A C19A C24A -118.13(17) . . . . ?
C5A C6A C7A C8A -95.91(18) . . . . ?
C5A C6A C7A C12A 83.60(19) . . . . ?
C5A C6A B4A C1A 60.3(2) . . . . ?
C5A C6A B4A B3A -6.9(2) . . . . ?
C5A C6A B4A B5A 130.63(17) . . . . ?
C5A C6A B4A B8A -73.2(2) . . . . ?
C5A C6A B4A B9A -149.27(16) . . . . ?
C5A C13A C14A C15A 178.17(15) . . . . ?
C5A C13A C18A C17A -177.61(16) . . . . ?
C6A C5A C13A C14A 68.4(2) . . . . ?
C6A C5A C13A C18A -113.00(17) . . . . ?
C6A C7A C8A C9A 178.11(14) . . . . ?
C6A C7A C12A C11A -178.72(14) . . . . ?
C6A B4A B5A C1A -105.23(17) . . . . ?
C6A B4A B5A B6A -138.04(16) . . . . ?
C6A B4A B5A B9A 121.84(18) . . . . ?
C6A B4A B5A B10A 159.26(15) . . . . ?
C6A B4A B8A B3A 97.69(15) . . . . ?
C6A B4A B8A B7A 136.01(14) . . . . ?
C6A B4A B8A B9A -123.39(16) . . . . ?
C6A B4A B8A B12A -161.05(14) . . . . ?
C6A B4A B9A B5A -114.65(19) . . . . ?
C6A B4A B9A B8A 107.10(19) . . . . ?
C6A B4A B9A B10A -151.95(16) . . . . ?
C6A B4A B9A B12A 144.56(16) . . . . ?
C7A C6A B4A C1A -127.37(15) . . . . ?
C7A C6A B4A B3A 165.48(13) . . . . ?
C7A C6A B4A B5A -57.0(2) . . . . ?
C7A C6A B4A B8A 99.18(17) . . . . ?
C7A C6A B4A B9A 23.1(2) . . . . ?
C7A C8A C9A C10A 1.0(3) . . . . ?
C8A C7A C12A C11A 0.8(2) . . . . ?
C8A C9A C10A C11A 0.1(3) . . . . ?
C9A C10A C11A C12A -0.7(3) . . . . ?
C10A C11A C12A C7A 0.2(3) . . . . ?
C12A C7A C8A C9A -1.4(2) . . . . ?
C13A C5A C6A C7A -1.7(2) . . . . ?
C13A C5A C6A B4A 170.43(14) . . . . ?
C13A C14A C15A C16A -0.7(3) . . . . ?
C14A C13A C18A C17A 1.1(3) . . . . ?
C14A C15A C16A C17A 1.3(3) . . . . ?
C15A C16A C17A C18A -0.7(3) . . . . ?
C16A C17A C18A C13A -0.5(3) . . . . ?
C18A C13A C14A C15A -0.5(2) . . . . ?
C19A C4A C5A C6A -164.25(15) . . . . ?
C19A C4A C5A C13A 20.47(19) . . . . ?
C19A C20A C21A C22A 0.7(2) . . . . ?
C20A C19A C24A C23A -0.1(2) . . . . ?
C20A C21A C22A C23A 0.0(3) . . . . ?
C21A C22A C23A C24A -0.6(3) . . . . ?
C22A C23A C24A C19A 0.7(3) . . . . ?
C24A C19A C20A C21A -0.6(2) . . . . ?
C25A C3A C4A C5A 178.60(15) . . . . ?
C25A C3A C4A C19A -3.0(2) . . . . ?
C25A C3A B3A C1A 104.93(16) . . . . ?
C25A C3A B3A C2A 42.0(2) . . . . ?
C25A C3A B3A B4A 169.57(14) . . . . ?
C25A C3A B3A B7A -30.6(3) . . . . ?
C25A C3A B3A B8A -116.13(19) . . . . ?
C25A C26A C27A C28A 0.3(3) . . . . ?
C26A C25A C30A C29A 1.8(3) . . . . ?
C26A C27A C28A C29A 0.9(3) . . . . ?
C27A C28A C29A C30A -0.8(3) . . . . ?
C28A C29A C30A C25A -0.6(3) . . . . ?
C30A C25A C26A C27A -1.6(2) . . . . ?
B3A C1A C2A B6A -147.57(13) . . . . ?
B3A C1A C2A B7A -39.82(12) . . . . ?
B3A C1A C2A B11A -108.49(14) . . . . ?
B3A C1A B4A C6A -99.01(15) . . . . ?
B3A C1A B4A B5A 143.42(12) . . . . ?
B3A C1A B4A B8A 41.46(11) . . . . ?
B3A C1A B4A B9A 103.08(12) . . . . ?
B3A C1A B5A B4A -35.59(12) . . . . ?
B3A C1A B5A B6A 107.79(14) . . . . ?
B3A C1A B5A B9A 5.26(16) . . . . ?
B3A C1A B5A B10A 67.69(16) . . . . ?
B3A C1A B6A C2A 31.81(13) . . . . ?
B3A C1A B6A B5A -106.80(14) . . . . ?
B3A C1A B6A B10A -66.18(16) . . . . ?
B3A C1A B6A B11A -3.49(18) . . . . ?
B3A C2A B6A C1A -31.94(13) . . . . ?
B3A C2A B6A B5A 2.88(17) . . . . ?
B3A C2A B6A B10A 65.11(16) . . . . ?
B3A C2A B6A B11A 106.56(15) . . . . ?
B3A C2A B7A B8A -40.38(11) . . . . ?
B3A C2A B7A B11A -143.40(13) . . . . ?
B3A C2A B7A B12A -102.85(13) . . . . ?
B3A C2A B11A B6A -107.43(14) . . . . ?
B3A C2A B11A B7A 35.96(13) . . . . ?
B3A C2A B11A B10A -66.72(17) . . . . ?
B3A C2A B11A B12A -4.40(17) . . . . ?
B3A C3A C4A C5A -8.7(2) . . . . ?
B3A C3A C4A C19A 169.68(15) . . . . ?
B3A C3A C25A C26A 68.2(2) . . . . ?
B3A C3A C25A C30A -108.52(18) . . . . ?
B3A B4A B5A C1A 33.15(12) . . . . ?
B3A B4A B5A B6A 0.34(17) . . . . ?
B3A B4A B5A B9A -99.79(13) . . . . ?
B3A B4A B5A B10A -62.36(16) . . . . ?
B3A B4A B8A B7A 38.32(12) . . . . ?
B3A B4A B8A B9A 138.92(13) . . . . ?
B3A B4A B8A B12A 101.26(14) . . . . ?
B3A B4A B9A B5A 101.91(14) . . . . ?
B3A B4A B9A B8A -36.35(12) . . . . ?
B3A B4A B9A B10A 64.61(16) . . . . ?
B3A B4A B9A B12A 1.11(17) . . . . ?
B3A B7A B8A B4A -37.92(12) . . . . ?
B3A B7A B8A B9A -100.98(13) . . . . ?
B3A B7A B8A B12A -138.93(14) . . . . ?
B3A B7A B11A C2A -33.11(12) . . . . ?
B3A B7A B11A B6A -0.17(18) . . . . ?
B3A B7A B11A B10A 62.65(17) . . . . ?
B3A B7A B11A B12A 100.24(14) . . . . ?
B3A B7A B12A B8A 36.47(12) . . . . ?
B3A B7A B12A B9A -1.32(18) . . . . ?
B3A B7A B12A B10A -64.67(16) . . . . ?
B3A B7A B12A B11A -102.28(14) . . . . ?
B3A B8A B9A B4A 36.54(12) . . . . ?
B3A B8A B9A B5A -1.15(16) . . . . ?
B3A B8A B9A B10A -64.84(15) . . . . ?
B3A B8A B9A B12A -101.48(14) . . . . ?
B3A B8A B12A B7A -37.05(12) . . . . ?
B3A B8A B12A B9A 100.51(13) . . . . ?
B3A B8A B12A B10A 63.85(16) . . . . ?
B3A B8A B12A B11A 0.02(17) . . . . ?
B4A C1A C2A B3A 38.08(12) . . . . ?
B4A C1A C2A B6A -109.49(14) . . . . ?
B4A C1A C2A B7A -1.74(17) . . . . ?
B4A C1A C2A B11A -70.41(16) . . . . ?
B4A C1A B3A C2A -139.50(12) . . . . ?
B4A C1A B3A C3A 107.76(14) . . . . ?
B4A C1A B3A B7A -104.29(13) . . . . ?
B4A C1A B3A B8A -42.33(11) . . . . ?
B4A C1A B5A B6A 143.38(13) . . . . ?
B4A C1A B5A B9A 40.85(11) . . . . ?
B4A C1A B5A B10A 103.27(14) . . . . ?
B4A C1A B6A C2A 101.80(14) . . . . ?
B4A C1A B6A B5A -36.81(13) . . . . ?
B4A C1A B6A B10A 3.80(17) . . . . ?
B4A C1A B6A B11A 66.50(16) . . . . ?
B4A C6A C7A C8A 91.64(18) . . . . ?
B4A C6A C7A C12A -88.85(18) . . . . ?
B4A B3A B7A C2A -94.33(13) . . . . ?
B4A B3A B7A B8A 38.90(12) . . . . ?
B4A B3A B7A B11A -61.72(17) . . . . ?
B4A B3A B7A B12A 2.03(18) . . . . ?
B4A B3A B8A B7A -137.16(13) . . . . ?
B4A B3A B8A B9A -36.64(12) . . . . ?
B4A B3A B8A B12A -100.47(13) . . . . ?
B4A B5A B6A C1A 32.45(12) . . . . ?
B4A B5A B6A C2A -1.82(16) . . . . ?
B4A B5A B6A B10A -100.80(14) . . . . ?
B4A B5A B6A B11A -62.05(16) . . . . ?
B4A B5A B9A B8A 37.69(12) . . . . ?
B4A B5A B9A B10A 138.46(13) . . . . ?
B4A B5A B9A B12A 101.04(13) . . . . ?
B4A B5A B10A B6A 101.21(14) . . . . ?
B4A B5A B10A B9A -37.31(12) . . . . ?
B4A B5A B10A B11A 62.96(17) . . . . ?
B4A B5A B10A B12A 0.13(18) . . . . ?
B4A B8A B9A B5A -37.68(12) . . . . ?
B4A B8A B9A B10A -101.38(14) . . . . ?
B4A B8A B9A B12A -138.02(13) . . . . ?
B4A B8A B12A B7A -100.11(14) . . . . ?
B4A B8A B12A B9A 37.44(12) . . . . ?
B4A B8A B12A B10A 0.79(17) . . . . ?
B4A B8A B12A B11A -63.04(15) . . . . ?
B4A B9A B10A B5A 37.46(12) . . . . ?
B4A B9A B10A B6A 0.03(17) . . . . ?
B4A B9A B10A B11A -63.31(16) . . . . ?
B4A B9A B10A B12A -100.63(13) . . . . ?
B4A B9A B12A B7A 0.13(18) . . . . ?
B4A B9A B12A B8A -37.74(12) . . . . ?
B4A B9A B12A B10A 101.37(14) . . . . ?
B4A B9A B12A B11A 63.63(16) . . . . ?
B5A C1A C2A B3A 107.81(14) . . . . ?
B5A C1A C2A B6A -39.76(13) . . . . ?
B5A C1A C2A B7A 67.99(16) . . . . ?
B5A C1A C2A B11A -0.68(18) . . . . ?
B5A C1A B3A C2A -103.14(14) . . . . ?
B5A C1A B3A C3A 144.12(13) . . . . ?
B5A C1A B3A B4A 36.36(12) . . . . ?
B5A C1A B3A B7A -67.93(15) . . . . ?
B5A C1A B3A B8A -5.97(16) . . . . ?
B5A C1A B4A C6A 117.58(15) . . . . ?
B5A C1A B4A B3A -143.42(12) . . . . ?
B5A C1A B4A B8A -101.95(12) . . . . ?
B5A C1A B4A B9A -40.33(11) . . . . ?
B5A C1A B6A C2A 138.61(13) . . . . ?
B5A C1A B6A B10A 40.62(12) . . . . ?
B5A C1A B6A B11A 103.31(14) . . . . ?
B5A B4A B8A B3A -101.96(13) . . . . ?
B5A B4A B8A B7A -63.64(15) . . . . ?
B5A B4A B8A B9A 36.96(12) . . . . ?
B5A B4A B8A B12A -0.70(16) . . . . ?
B5A B4A B9A B8A -138.26(13) . . . . ?
B5A B4A B9A B10A -37.30(12) . . . . ?
B5A B4A B9A B12A -100.80(14) . . . . ?
B5A B6A B10A B9A 36.99(12) . . . . ?
B5A B6A B10A B11A 137.08(14) . . . . ?
B5A B6A B10A B12A 100.60(14) . . . . ?
B5A B6A B11A C2A 94.07(14) . . . . ?
B5A B6A B11A B7A 61.69(17) . . . . ?
B5A B6A B11A B10A -38.55(13) . . . . ?
B5A B6A B11A B12A -1.73(17) . . . . ?
B5A B9A B10A B6A -37.43(12) . . . . ?
B5A B9A B10A B11A -100.77(14) . . . . ?
B5A B9A B10A B12A -138.09(13) . . . . ?
B5A B9A B12A B7A -63.76(16) . . . . ?
B5A B9A B12A B8A -101.63(13) . . . . ?
B5A B9A B12A B10A 37.47(12) . . . . ?
B5A B9A B12A B11A -0.26(17) . . . . ?
B5A B10A B11A C2A -2.35(18) . . . . ?
B5A B10A B11A B6A 38.54(13) . . . . ?
B5A B10A B11A B7A -63.05(17) . . . . ?
B5A B10A B11A B12A -100.45(14) . . . . ?
B5A B10A B12A B7A 63.08(17) . . . . ?
B5A B10A B12A B8A -0.57(18) . . . . ?
B5A B10A B12A B9A -37.20(12) . . . . ?
B5A B10A B12A B11A 100.66(14) . . . . ?
B6A C1A C2A B3A 147.57(13) . . . . ?
B6A C1A C2A B7A 107.75(14) . . . . ?
B6A C1A C2A B11A 39.08(14) . . . . ?
B6A C1A B3A C2A -31.85(13) . . . . ?
B6A C1A B3A C3A -144.59(14) . . . . ?
B6A C1A B3A B4A 107.65(15) . . . . ?
B6A C1A B3A B7A 3.36(17) . . . . ?
B6A C1A B3A B8A 65.31(16) . . . . ?
B6A C1A B4A C6A 154.16(14) . . . . ?
B6A C1A B4A B3A -106.83(14) . . . . ?
B6A C1A B4A B5A 36.58(13) . . . . ?
B6A C1A B4A B8A -65.37(15) . . . . ?
B6A C1A B4A B9A -3.75(16) . . . . ?
B6A C1A B5A B4A -143.38(13) . . . . ?
B6A C1A B5A B9A -102.53(13) . . . . ?
B6A C1A B5A B10A -40.11(13) . . . . ?
B6A C2A B3A C1A 31.73(13) . . . . ?
B6A C2A B3A C3A 130.68(15) . . . . ?
B6A C2A B3A B4A -2.70(17) . . . . ?
B6A C2A B3A B7A -106.32(15) . . . . ?
B6A C2A B3A B8A -65.76(16) . . . . ?
B6A C2A B7A B3A 107.67(14) . . . . ?
B6A C2A B7A B8A 67.29(15) . . . . ?
B6A C2A B7A B11A -35.73(13) . . . . ?
B6A C2A B7A B12A 4.83(17) . . . . ?
B6A C2A B11A B7A 143.38(14) . . . . ?
B6A C2A B11A B10A 40.71(13) . . . . ?
B6A C2A B11A B12A 103.03(14) . . . . ?
B6A B5A B9A B4A -101.84(13) . . . . ?
B6A B5A B9A B8A -64.15(15) . . . . ?
B6A B5A B9A B10A 36.63(12) . . . . ?
B6A B5A B9A B12A -0.80(16) . . . . ?
B6A B5A B10A B9A -138.52(13) . . . . ?
B6A B5A B10A B11A -38.25(13) . . . . ?
B6A B5A B10A B12A -101.08(14) . . . . ?
B6A B10A B11A C2A -40.89(13) . . . . ?
B6A B10A B11A B7A -101.59(14) . . . . ?
B6A B10A B11A B12A -138.99(13) . . . . ?
B6A B10A B12A B7A -0.91(17) . . . . ?
B6A B10A B12A B8A -64.56(16) . . . . ?
B6A B10A B12A B9A -101.20(14) . . . . ?
B6A B10A B12A B11A 36.67(12) . . . . ?
B6A B11A B12A B7A 101.69(14) . . . . ?
B6A B11A B12A B8A 64.64(16) . . . . ?
B6A B11A B12A B9A 1.23(17) . . . . ?
B6A B11A B12A B10A -36.39(12) . . . . ?
B7A C2A B3A C1A 138.05(13) . . . . ?
B7A C2A B3A C3A -123.00(16) . . . . ?
B7A C2A B3A B4A 103.62(13) . . . . ?
B7A C2A B3A B8A 40.57(11) . . . . ?
B7A C2A B6A C1A -102.44(14) . . . . ?
B7A C2A B6A B5A -67.62(16) . . . . ?
B7A C2A B6A B10A -5.39(17) . . . . ?
B7A C2A B6A B11A 36.06(13) . . . . ?
B7A C2A B11A B6A -143.38(14) . . . . ?
B7A C2A B11A B10A -102.67(15) . . . . ?
B7A C2A B11A B12A -40.36(12) . . . . ?
B7A B3A B4A C1A 93.18(13) . . . . ?
B7A B3A B4A C6A -153.53(13) . . . . ?
B7A B3A B4A B5A 61.04(16) . . . . ?
B7A B3A B4A B8A -38.48(12) . . . . ?
B7A B3A B4A B9A -1.93(17) . . . . ?
B7A B3A B8A B4A 137.16(13) . . . . ?
B7A B3A B8A B9A 100.52(14) . . . . ?
B7A B3A B8A B12A 36.70(12) . . . . ?
B7A B8A B9A B4A 100.36(13) . . . . ?
B7A B8A B9A B5A 62.67(15) . . . . ?
B7A B8A B9A B10A -1.02(16) . . . . ?
B7A B8A B9A B12A -37.66(12) . . . . ?
B7A B8A B12A B9A 137.56(14) . . . . ?
B7A B8A B12A B10A 100.90(15) . . . . ?
B7A B8A B12A B11A 37.07(12) . . . . ?
B7A B11A B12A B8A -37.05(12) . . . . ?
B7A B11A B12A B9A -100.46(13) . . . . ?
B7A B11A B12A B10A -138.08(13) . . . . ?
B8A B3A B4A C1A 131.66(12) . . . . ?
B8A B3A B4A C6A -115.05(15) . . . . ?
B8A B3A B4A B5A 99.53(13) . . . . ?
B8A B3A B4A B9A 36.55(12) . . . . ?
B8A B3A B7A C2A -133.23(13) . . . . ?
B8A B3A B7A B11A -100.62(14) . . . . ?
B8A B3A B7A B12A -36.88(13) . . . . ?
B8A B4A B5A C1A 95.86(12) . . . . ?
B8A B4A B5A B6A 63.05(16) . . . . ?
B8A B4A B5A B9A -37.07(12) . . . . ?
B8A B4A B5A B10A 0.35(17) . . . . ?
B8A B4A B9A B5A 138.26(13) . . . . ?
B8A B4A B9A B10A 100.96(14) . . . . ?
B8A B4A B9A B12A 37.46(12) . . . . ?
B8A B7A B11A C2A -96.20(13) . . . . ?
B8A B7A B11A B6A -63.26(17) . . . . ?
B8A B7A B11A B10A -0.45(17) . . . . ?
B8A B7A B11A B12A 37.15(12) . . . . ?
B8A B7A B12A B9A -37.79(12) . . . . ?
B8A B7A B12A B10A -101.14(14) . . . . ?
B8A B7A B12A B11A -138.75(13) . . . . ?
B8A B9A B10A B5A 101.52(13) . . . . ?
B8A B9A B10A B6A 64.09(16) . . . . ?
B8A B9A B10A B11A 0.75(17) . . . . ?
B8A B9A B10A B12A -36.57(12) . . . . ?
B8A B9A B12A B7A 37.87(13) . . . . ?
B8A B9A B12A B10A 139.11(14) . . . . ?
B8A B9A B12A B11A 101.37(14) . . . . ?
B9A B4A B5A C1A 132.93(13) . . . . ?
B9A B4A B5A B6A 100.12(14) . . . . ?
B9A B4A B5A B10A 37.42(12) . . . . ?
B9A B4A B8A B3A -138.92(13) . . . . ?
B9A B4A B8A B7A -100.60(14) . . . . ?
B9A B4A B8A B12A -37.66(12) . . . . ?
B9A B5A B6A C1A 96.07(13) . . . . ?
B9A B5A B6A C2A 61.79(15) . . . . ?
B9A B5A B6A B10A -37.19(12) . . . . ?
B9A B5A B6A B11A 1.56(17) . . . . ?
B9A B5A B10A B6A 138.52(13) . . . . ?
B9A B5A B10A B11A 100.26(15) . . . . ?
B9A B5A B10A B12A 37.44(13) . . . . ?
B9A B8A B12A B7A -137.56(14) . . . . ?
B9A B8A B12A B10A -36.66(12) . . . . ?
B9A B8A B12A B11A -100.49(14) . . . . ?
B9A B10A B11A C2A 60.51(17) . . . . ?
B9A B10A B11A B6A 101.40(14) . . . . ?
B9A B10A B11A B7A -0.19(18) . . . . ?
B9A B10A B11A B12A -37.59(12) . . . . ?
B9A B10A B12A B7A 100.28(14) . . . . ?
B9A B10A B12A B8A 36.64(12) . . . . ?
B9A B10A B12A B11A 137.87(13) . . . . ?
B10A B5A B6A C1A 133.25(14) . . . . ?
B10A B5A B6A C2A 98.98(14) . . . . ?
B10A B5A B6A B11A 38.75(13) . . . . ?
B10A B5A B9A B4A -138.46(13) . . . . ?
B10A B5A B9A B8A -100.77(14) . . . . ?
B10A B5A B9A B12A -37.42(12) . . . . ?
B10A B6A B11A C2A 132.62(14) . . . . ?
B10A B6A B11A B7A 100.24(15) . . . . ?
B10A B6A B11A B12A 36.82(13) . . . . ?
B10A B9A B12A B7A -101.24(15) . . . . ?
B10A B9A B12A B8A -139.11(14) . . . . ?
B10A B9A B12A B11A -37.73(12) . . . . ?
B10A B11A B12A B7A 138.08(13) . . . . ?
B10A B11A B12A B8A 101.03(13) . . . . ?
B10A B11A B12A B9A 37.62(12) . . . . ?
B11A C2A B3A C1A 101.91(14) . . . . ?
B11A C2A B3A C3A -159.14(14) . . . . ?
B11A C2A B3A B4A 67.48(16) . . . . ?
B11A C2A B3A B7A -36.15(13) . . . . ?
B11A C2A B3A B8A 4.42(16) . . . . ?
B11A C2A B6A C1A -138.49(14) . . . . ?
B11A C2A B6A B5A -103.68(14) . . . . ?
B11A C2A B6A B10A -41.45(12) . . . . ?
B11A C2A B7A B3A 143.40(13) . . . . ?
B11A C2A B7A B8A 103.02(13) . . . . ?
B11A C2A B7A B12A 40.55(12) . . . . ?
B11A B6A B10A B5A -137.08(14) . . . . ?
B11A B6A B10A B9A -100.09(14) . . . . ?
B11A B6A B10A B12A -36.48(12) . . . . ?
B11A B7A B8A B3A 101.89(14) . . . . ?
B11A B7A B8A B4A 63.96(15) . . . . ?
B11A B7A B8A B9A 0.91(16) . . . . ?
B11A B7A B8A B12A -37.05(12) . . . . ?
B11A B7A B12A B8A 138.75(13) . . . . ?
B11A B7A B12A B9A 100.97(15) . . . . ?
B11A B7A B12A B10A 37.62(12) . . . . ?
B11A B10A B12A B7A -37.58(12) . . . . ?
B11A B10A B12A B8A -101.23(14) . . . . ?
B11A B10A B12A B9A -137.87(13) . . . . ?
B12A B7A B8A B3A 138.93(14) . . . . ?
B12A B7A B8A B4A 101.01(13) . . . . ?
B12A B7A B8A B9A 37.95(12) . . . . ?
B12A B7A B11A C2A -133.35(13) . . . . ?
B12A B7A B11A B6A -100.41(14) . . . . ?
B12A B7A B11A B10A -37.59(13) . . . . ?
B12A B8A B9A B4A 138.02(13) . . . . ?
B12A B8A B9A B5A 100.33(14) . . . . ?
B12A B8A B9A B10A 36.63(12) . . . . ?
B12A B9A B10A B5A 138.09(13) . . . . ?
B12A B9A B10A B6A 100.67(14) . . . . ?
B12A B9A B10A B11A 37.32(12) . . . . ?
B12A B10A B11A C2A 98.10(14) . . . . ?
B12A B10A B11A B6A 138.99(13) . . . . ?
B12A B10A B11A B7A 37.40(12) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
