# 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_st8
_database_code_depnum_ccdc_archive 'CCDC 2042189'
loop_
_audit_author_name
_audit_author_address
'Kyrill Yu.  Suponitsky'
;A N Nesmeyanov Institute of Organoelement Compounds, Moscow, Russia
Russia
;
_audit_update_record             
;
2020-11-03 deposited with the CCDC.	2021-01-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H51 B27 Co3 Na O7 S'
_chemical_formula_sum            'C15 H51 B27 Co3 Na O7 S'
_chemical_formula_weight         867.26

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.0438(9)
_cell_length_b                   32.170(3)
_cell_length_c                   11.5494(9)
_cell_angle_alpha                90
_cell_angle_beta                 106.855(2)
_cell_angle_gamma                90
_cell_volume                     3926.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9964
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      27.07

_exptl_crystal_description       prizm
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_F_000             1760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.354
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_process_details   'SADABS-2014/5 (Bruker,2014/5)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            54646
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.948
_diffrn_reflns_theta_max         27.192
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8703
_reflns_number_gt                6855
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_publication_material  
'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0502P)²+5.4194P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8703
_refine_ls_number_parameters     490
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0453
_refine_ls_wR_factor_ref         0.1137
_refine_ls_wR_factor_gt          0.1038
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1" Co 0.72959(4) 0.16975(2) 0.17967(3) 0.01849(10) Uani 1 1 d . . . . .
Co1 Co 0.70352(4) 0.09118(2) 0.16634(3) 0.01930(10) Uani 1 1 d . . . . .
Co1' Co 0.73421(4) 0.13192(2) -0.01144(3) 0.01935(10) Uani 1 1 d . . . . .
Na1 Na 1.05254(11) 0.12028(4) 0.23987(10) 0.0227(3) Uani 1 1 d . . . . .
S1 S 0.57339(7) 0.13634(2) 0.05891(6) 0.02194(16) Uani 1 1 d . . . . .
O3 O 0.82654(19) 0.12688(6) 0.14858(17) 0.0191(4) Uani 1 1 d . . . . .
O1 O 0.9317(2) 0.09093(7) 0.3727(2) 0.0296(5) Uani 1 1 d . . . . .
O2 O 1.1796(2) 0.12111(8) 0.4525(2) 0.0369(6) Uani 1 1 d . . . . .
C3 C 1.0143(3) 0.08116(11) 0.4913(3) 0.0312(7) Uani 1 1 d . . . . .
H3A H 1.0608 0.0551 0.4878 0.037 Uiso 1 1 calc R U . . .
H3B H 0.9637 0.0770 0.5484 0.037 Uiso 1 1 calc R U . . .
C4 C 1.1066(3) 0.11614(11) 0.5345(3) 0.0330(8) Uani 1 1 d . . . . .
H4A H 1.0603 0.1422 0.5389 0.040 Uiso 1 1 calc R U . . .
H4B H 1.1628 0.1098 0.6163 0.040 Uiso 1 1 calc R U . . .
C5 C 1.2860(4) 0.14705(16) 0.5034(4) 0.0576(13) Uani 1 1 d . . . . .
H5A H 1.2570 0.1750 0.5165 0.086 Uiso 1 1 calc R U . . .
H5B H 1.3382 0.1487 0.4478 0.086 Uiso 1 1 calc R U . . .
H5C H 1.3362 0.1354 0.5808 0.086 Uiso 1 1 calc R U . . .
O1' O 0.9836(2) 0.09405(8) 0.0282(2) 0.0345(6) Uani 1 1 d . . . . .
O2' O 1.1702(2) 0.05972(7) 0.2157(2) 0.0315(5) Uani 1 1 d . . . . .
C3' C 1.0886(4) 0.07249(13) 0.0055(3) 0.0409(9) Uani 1 1 d . . . . .
H3'A H 1.1569 0.0924 0.0059 0.049 Uiso 1 1 calc R U . . .
H3'B H 1.0613 0.0590 -0.0749 0.049 Uiso 1 1 calc R U . . .
C4' C 1.1365(4) 0.04032(12) 0.1021(3) 0.0367(8) Uani 1 1 d . . . . .
H4'A H 1.0698 0.0193 0.0982 0.044 Uiso 1 1 calc R U . . .
H4'B H 1.2109 0.0260 0.0894 0.044 Uiso 1 1 calc R U . . .
C5' C 1.2190(4) 0.03054(12) 0.3114(3) 0.0411(9) Uani 1 1 d . . . . .
H5'A H 1.1516 0.0114 0.3163 0.062 Uiso 1 1 calc R U . . .
H5'B H 1.2508 0.0455 0.3882 0.062 Uiso 1 1 calc R U . . .
H5'C H 1.2882 0.0147 0.2953 0.062 Uiso 1 1 calc R U . . .
O1" O 0.9895(2) 0.19393(7) 0.1968(2) 0.0270(5) Uani 1 1 d . . . . .
O2" O 1.2218(2) 0.16106(8) 0.2137(2) 0.0365(6) Uani 1 1 d . . . . .
C3" C 1.0952(3) 0.22045(11) 0.1998(4) 0.0344(8) Uani 1 1 d . . . . .
H3"A H 1.1395 0.2283 0.2843 0.041 Uiso 1 1 calc R U . . .
H3"B H 1.0651 0.2462 0.1533 0.041 Uiso 1 1 calc R U . . .
C4" C 1.1835(3) 0.19782(11) 0.1459(3) 0.0344(8) Uani 1 1 d . . . . .
H4"A H 1.1406 0.1909 0.0603 0.041 Uiso 1 1 calc R U . . .
H4"B H 1.2581 0.2154 0.1491 0.041 Uiso 1 1 calc R U . . .
C5" C 1.3348(4) 0.14398(13) 0.1973(5) 0.0552(12) Uani 1 1 d . . . . .
H5"A H 1.3232 0.1393 0.1109 0.083 Uiso 1 1 calc R U . . .
H5"B H 1.3538 0.1175 0.2408 0.083 Uiso 1 1 calc R U . . .
H5"C H 1.4050 0.1634 0.2290 0.083 Uiso 1 1 calc R U . . .
C1 C 0.8018(3) 0.03750(10) 0.1932(3) 0.0305(7) Uani 1 1 d . . . . .
H1 H 0.8749 0.0396 0.1435 0.037 Uiso 1 1 calc R U . . .
C2 C 0.6505(4) 0.03180(11) 0.1216(3) 0.0359(8) Uani 1 1 d . . . . .
H2 H 0.6155 0.0302 0.0205 0.043 Uiso 1 1 calc R U . . .
B4 B 0.8235(4) 0.06617(12) 0.3262(3) 0.0273(8) Uani 1 1 d . . . . .
B5 B 0.8409(4) 0.01052(13) 0.3249(4) 0.0337(9) Uani 1 1 d . . . . .
H5 H 0.9356 -0.0043 0.3655 0.040 Uiso 1 1 calc R U . . .
B6 B 0.7335(5) -0.01071(13) 0.1953(4) 0.0387(10) Uani 1 1 d . . . . .
H6 H 0.7564 -0.0392 0.1498 0.046 Uiso 1 1 calc R U . . .
B7 B 0.5557(4) 0.05491(13) 0.1955(4) 0.0351(9) Uani 1 1 d . . . . .
H7 H 0.4596 0.0683 0.1520 0.042 Uiso 1 1 calc R U . . .
B8 B 0.6618(4) 0.07675(13) 0.3283(3) 0.0306(8) Uani 1 1 d . . . . .
H8 H 0.6358 0.1047 0.3740 0.037 Uiso 1 1 calc R U . . .
B9 B 0.7516(4) 0.03449(12) 0.4126(3) 0.0302(8) Uani 1 1 d . . . . .
H9 H 0.7871 0.0355 0.5137 0.036 Uiso 1 1 calc R U . . .
B10 B 0.6973(4) -0.01294(12) 0.3346(3) 0.0307(8) Uani 1 1 d . . . . .
H10 H 0.6959 -0.0429 0.3835 0.037 Uiso 1 1 calc R U . . .
B11 B 0.5786(4) 0.00005(14) 0.1997(4) 0.0406(11) Uani 1 1 d . . . . .
H11 H 0.4989 -0.0216 0.1569 0.049 Uiso 1 1 calc R U . . .
B12 B 0.5884(4) 0.02782(13) 0.3353(4) 0.0361(9) Uani 1 1 d . . . . .
H12 H 0.5156 0.0244 0.3849 0.043 Uiso 1 1 calc R U . . .
C1' C 0.8518(3) 0.16185(10) -0.0878(3) 0.0260(7) Uani 1 1 d . . . . .
H1' H 0.9100 0.1838 -0.0184 0.031 Uiso 1 1 calc R U . . .
C2' C 0.7011(3) 0.17017(10) -0.1551(3) 0.0274(7) Uani 1 1 d . . . . .
H2' H 0.6506 0.1980 -0.1338 0.033 Uiso 1 1 calc R U . . .
B4' B 0.8856(4) 0.10903(12) -0.0699(3) 0.0279(8) Uani 1 1 d . . . . .
B5' B 0.9235(4) 0.14027(13) -0.1850(3) 0.0295(8) Uani 1 1 d . . . . .
H5' H 1.0241 0.1461 -0.1829 0.035 Uiso 1 1 calc R U . . .
B6' B 0.8089(4) 0.17905(13) -0.2348(3) 0.0310(9) Uani 1 1 d . . . . .
H6' H 0.8334 0.2103 -0.2643 0.037 Uiso 1 1 calc R U . . .
B7' B 0.6164(4) 0.12530(13) -0.1906(3) 0.0294(8) Uani 1 1 d . . . . .
H7' H 0.5141 0.1211 -0.1964 0.035 Uiso 1 1 calc R U . . .
B8' B 0.7320(4) 0.08499(12) -0.1393(3) 0.0293(8) Uani 1 1 d . . . . .
H8' H 0.7062 0.0536 -0.1115 0.035 Uiso 1 1 calc R U . . .
B9' B 0.8472(4) 0.09077(13) -0.2208(3) 0.0309(8) Uani 1 1 d . . . . .
H9' H 0.8980 0.0632 -0.2432 0.037 Uiso 1 1 calc R U . . .
B10' B 0.8010(4) 0.13319(12) -0.3230(3) 0.0286(8) Uani 1 1 d . . . . .
H10' H 0.8205 0.1332 -0.4129 0.034 Uiso 1 1 calc R U . . .
B11' B 0.6618(4) 0.15512(12) -0.3024(3) 0.0304(8) Uani 1 1 d . . . . .
H11' H 0.5896 0.1709 -0.3782 0.036 Uiso 1 1 calc R U . . .
B12' B 0.6827(4) 0.10041(12) -0.2947(3) 0.0302(8) Uani 1 1 d . . . . .
H12' H 0.6241 0.0792 -0.3663 0.036 Uiso 1 1 calc R U . . .
C1" C 0.8366(3) 0.18880(10) 0.3452(3) 0.0243(7) Uani 1 1 d . . . . .
H1" H 0.8886 0.1610 0.3931 0.029 Uiso 1 1 calc R U . . .
C2" C 0.6842(3) 0.19443(11) 0.3233(3) 0.0278(7) Uani 1 1 d . . . . .
H2" H 0.6270 0.1706 0.3549 0.033 Uiso 1 1 calc R U . . .
B4" B 0.8845(3) 0.21059(11) 0.2284(3) 0.0216(7) Uani 1 1 d . . . . .
B5" B 0.9129(4) 0.23499(11) 0.3740(3) 0.0260(8) Uani 1 1 d . . . . .
H5" H 1.0115 0.2390 0.4351 0.031 Uiso 1 1 calc R U . . .
B6" B 0.7875(4) 0.22401(12) 0.4349(3) 0.0285(8) Uani 1 1 d . . . . .
H6" H 0.8022 0.2207 0.5345 0.034 Uiso 1 1 calc R U . . .
B7" B 0.6131(3) 0.22061(11) 0.1918(3) 0.0246(7) Uani 1 1 d . . . . .
H7" H 0.5131 0.2167 0.1339 0.029 Uiso 1 1 calc R U . . .
B8" B 0.7403(3) 0.23247(11) 0.1302(3) 0.0218(7) Uani 1 1 d . . . . .
H8" H 0.7246 0.2368 0.0307 0.026 Uiso 1 1 calc R U . . .
B9" B 0.8517(3) 0.26390(11) 0.2384(3) 0.0232(7) Uani 1 1 d . . . . .
H9" H 0.9100 0.2879 0.2087 0.028 Uiso 1 1 calc R U . . .
B10" B 0.7931(4) 0.27276(12) 0.3650(3) 0.0277(8) Uani 1 1 d . . . . .
H10" H 0.8121 0.3025 0.4178 0.033 Uiso 1 1 calc R U . . .
B11" B 0.6464(4) 0.24511(12) 0.3376(3) 0.0312(8) Uani 1 1 d . . . . .
H11" H 0.5683 0.2559 0.3742 0.037 Uiso 1 1 calc R U . . .
B12" B 0.6851(4) 0.27034(12) 0.2158(3) 0.0260(8) Uani 1 1 d . . . . .
H12" H 0.6326 0.2986 0.1716 0.031 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1" O3 1.844(2) . ?
Co1" C1" 2.029(3) . ?
Co1" C2" 2.029(3) . ?
Co1" B4" 2.101(3) . ?
Co1" B8" 2.110(3) . ?
Co1" B7" 2.111(4) . ?
Co1" S1 2.1636(8) . ?
Co1" Co1' 2.5339(6) . ?
Co1" Co1 2.5436(6) . ?
Co1 O3 1.835(2) . ?
Co1 C1 2.015(3) . ?
Co1 C2 2.021(3) . ?
Co1 B4 2.096(4) . ?
Co1 B8 2.104(4) . ?
Co1 B7 2.112(4) . ?
Co1 S1 2.1637(8) . ?
Co1 Co1' 2.5401(6) . ?
Co1' O3 1.8408(19) . ?
Co1' C2' 2.012(3) . ?
Co1' C1' 2.014(3) . ?
Co1' B8' 2.107(4) . ?
Co1' B4' 2.109(4) . ?
Co1' B7' 2.112(3) . ?
Co1' S1 2.1614(9) . ?
Na1 O2" 2.373(3) . ?
Na1 O2' 2.403(3) . ?
Na1 O3 2.421(2) . ?
Na1 O2 2.450(3) . ?
Na1 O1" 2.479(2) . ?
Na1 O1' 2.488(3) . ?
Na1 O1 2.492(3) . ?
O1 B4 1.407(4) . ?
O1 C3 1.443(4) . ?
O2 C4 1.419(4) . ?
O2 C5 1.422(4) . ?
C3 C4 1.503(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
O1' B4' 1.405(4) . ?
O1' C3' 1.439(4) . ?
O2' C4' 1.402(4) . ?
O2' C5' 1.431(4) . ?
C3' C4' 1.501(5) . ?
C3' H3'A 0.9900 . ?
C3' H3'B 0.9900 . ?
C4' H4'A 0.9900 . ?
C4' H4'B 0.9900 . ?
C5' H5'A 0.9800 . ?
C5' H5'B 0.9800 . ?
C5' H5'C 0.9800 . ?
O1" B4" 1.417(4) . ?
O1" C3" 1.439(4) . ?
O2" C4" 1.414(4) . ?
O2" C5" 1.425(4) . ?
C3" C4" 1.490(5) . ?
C3" H3"A 0.9900 . ?
C3" H3"B 0.9900 . ?
C4" H4"A 0.9900 . ?
C4" H4"B 0.9900 . ?
C5" H5"A 0.9800 . ?
C5" H5"B 0.9800 . ?
C5" H5"C 0.9800 . ?
C1 C2 1.645(5) . ?
C1 B5 1.695(5) . ?
C1 B6 1.728(5) . ?
C1 B4 1.748(5) . ?
C1 H1 1.1200 . ?
C2 B7 1.702(6) . ?
C2 B11 1.703(5) . ?
C2 B6 1.727(6) . ?
C2 H2 1.1200 . ?
B4 B9 1.767(5) . ?
B4 B5 1.801(6) . ?
B4 B8 1.825(6) . ?
B5 B6 1.757(6) . ?
B5 B9 1.781(6) . ?
B5 B10 1.789(6) . ?
B5 H5 1.1200 . ?
B6 B11 1.760(7) . ?
B6 B10 1.768(6) . ?
B6 H6 1.1200 . ?
B7 B12 1.777(6) . ?
B7 B8 1.782(6) . ?
B7 B11 1.782(6) . ?
B7 H7 1.1200 . ?
B8 B12 1.783(6) . ?
B8 B9 1.794(6) . ?
B8 H8 1.1200 . ?
B9 B12 1.777(6) . ?
B9 B10 1.785(6) . ?
B9 H9 1.1200 . ?
B10 B11 1.771(6) . ?
B10 B12 1.780(6) . ?
B10 H10 1.1200 . ?
B11 B12 1.779(6) . ?
B11 H11 1.1200 . ?
B12 H12 1.1200 . ?
C1' C2' 1.642(5) . ?
C1' B5' 1.698(5) . ?
C1' B6' 1.716(5) . ?
C1' B4' 1.739(5) . ?
C1' H1' 1.1200 . ?
C2' B11' 1.700(5) . ?
C2' B7' 1.704(5) . ?
C2' B6' 1.727(5) . ?
C2' H2' 1.1200 . ?
B4' B9' 1.770(5) . ?
B4' B5' 1.810(5) . ?
B4' B8' 1.825(6) . ?
B5' B6' 1.751(6) . ?
B5' B10' 1.781(5) . ?
B5' B9' 1.793(6) . ?
B5' H5' 1.1200 . ?
B6' B11' 1.762(6) . ?
B6' B10' 1.781(5) . ?
B6' H6' 1.1200 . ?
B7' B12' 1.770(5) . ?
B7' B11' 1.793(5) . ?
B7' B8' 1.796(6) . ?
B7' H7' 1.1200 . ?
B8' B12' 1.788(5) . ?
B8' B9' 1.798(5) . ?
B8' H8' 1.1200 . ?
B9' B10' 1.780(5) . ?
B9' B12' 1.797(6) . ?
B9' H9' 1.1200 . ?
B10' B11' 1.769(6) . ?
B10' B12' 1.782(6) . ?
B10' H10' 1.1200 . ?
B11' B12' 1.774(6) . ?
B11' H11' 1.1200 . ?
B12' H12' 1.1200 . ?
C1" C2" 1.638(5) . ?
C1" B5" 1.693(5) . ?
C1" B6" 1.725(5) . ?
C1" B4" 1.734(4) . ?
C1" H1" 1.1200 . ?
C2" B11" 1.702(5) . ?
C2" B7" 1.715(5) . ?
C2" B6" 1.736(5) . ?
C2" H2" 1.1200 . ?
B4" B9" 1.764(5) . ?
B4" B5" 1.799(5) . ?
B4" B8" 1.809(5) . ?
B5" B6" 1.761(5) . ?
B5" B10" 1.777(5) . ?
B5" B9" 1.778(5) . ?
B5" H5" 1.1200 . ?
B6" B11" 1.770(6) . ?
B6" B10" 1.773(5) . ?
B6" H6" 1.1200 . ?
B7" B12" 1.772(5) . ?
B7" B8" 1.790(5) . ?
B7" B11" 1.798(5) . ?
B7" H7" 1.1200 . ?
B8" B12" 1.784(5) . ?
B8" B9" 1.790(5) . ?
B8" H8" 1.1200 . ?
B9" B10" 1.786(5) . ?
B9" B12" 1.794(5) . ?
B9" H9" 1.1200 . ?
B10" B12" 1.791(5) . ?
B10" B11" 1.794(6) . ?
B10" H10" 1.1200 . ?
B11" B12" 1.779(5) . ?
B11" H11" 1.1200 . ?
B12" H12" 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
O3 Co1" C1" 101.36(11) . . ?
O3 Co1" C2" 138.33(11) . . ?
C1" Co1" C2" 47.61(13) . . ?
O3 Co1" B4" 92.64(12) . . ?
C1" Co1" B4" 49.61(12) . . ?
C2" Co1" B4" 84.92(13) . . ?
O3 Co1" B8" 125.53(11) . . ?
C1" Co1" B8" 84.45(13) . . ?
C2" Co1" B8" 83.91(14) . . ?
B4" Co1" B8" 50.89(13) . . ?
O3 Co1" B7" 172.76(11) . . ?
C1" Co1" B7" 84.43(14) . . ?
C2" Co1" B7" 48.90(13) . . ?
B4" Co1" B7" 87.83(14) . . ?
B8" Co1" B7" 50.19(13) . . ?
O3 Co1" S1 84.40(7) . . ?
C1" Co1" S1 153.52(9) . . ?
C2" Co1" S1 112.43(10) . . ?
B4" Co1" S1 156.74(9) . . ?
B8" Co1" S1 113.41(10) . . ?
B7" Co1" S1 92.32(10) . . ?
O3 Co1" Co1' 46.50(6) . . ?
C1" Co1" Co1' 144.34(9) . . ?
C2" Co1" Co1' 166.50(10) . . ?
B4" Co1" Co1' 108.25(9) . . ?
B8" Co1" Co1' 101.92(9) . . ?
B7" Co1" Co1' 126.63(10) . . ?
S1 Co1" Co1' 54.10(2) . . ?
O3 Co1" Co1 46.13(6) . . ?
C1" Co1" Co1 112.45(9) . . ?
C2" Co1" Co1 112.82(10) . . ?
B4" Co1" Co1 134.98(10) . . ?
B8" Co1" Co1 161.49(9) . . ?
B7" Co1" Co1 135.55(10) . . ?
S1 Co1" Co1 54.00(2) . . ?
Co1' Co1" Co1 60.035(15) . . ?
O3 Co1 C1 99.81(12) . . ?
O3 Co1 C2 137.06(13) . . ?
C1 Co1 C2 48.12(15) . . ?
O3 Co1 B4 92.25(12) . . ?
C1 Co1 B4 50.28(14) . . ?
C2 Co1 B4 85.69(14) . . ?
O3 Co1 B8 126.69(13) . . ?
C1 Co1 B8 85.48(15) . . ?
C2 Co1 B8 84.08(15) . . ?
B4 Co1 B8 51.51(15) . . ?
O3 Co1 B7 174.36(14) . . ?
C1 Co1 B7 84.77(15) . . ?
C2 Co1 B7 48.58(16) . . ?
B4 Co1 B7 88.16(15) . . ?
B8 Co1 B7 50.01(16) . . ?
O3 Co1 S1 84.60(7) . . ?
C1 Co1 S1 154.44(10) . . ?
C2 Co1 S1 113.14(11) . . ?
B4 Co1 S1 155.23(11) . . ?
B8 Co1 S1 112.19(12) . . ?
B7 Co1 S1 92.68(12) . . ?
O3 Co1 Co1' 46.38(6) . . ?
C1 Co1 Co1' 111.98(10) . . ?
C2 Co1 Co1' 112.20(10) . . ?
B4 Co1 Co1' 135.37(11) . . ?
B8 Co1 Co1' 161.34(12) . . ?
B7 Co1 Co1' 134.80(12) . . ?
S1 Co1 Co1' 53.99(2) . . ?
O3 Co1 Co1" 46.41(6) . . ?
C1 Co1 Co1" 142.73(10) . . ?
C2 Co1 Co1" 166.95(10) . . ?
B4 Co1 Co1" 107.25(11) . . ?
B8 Co1 Co1" 102.45(11) . . ?
B7 Co1 Co1" 128.21(12) . . ?
S1 Co1 Co1" 53.99(2) . . ?
Co1' Co1 Co1" 59.793(15) . . ?
O3 Co1' C2' 142.85(11) . . ?
O3 Co1' C1' 104.00(11) . . ?
C2' Co1' C1' 48.14(13) . . ?
O3 Co1' B8' 122.08(13) . . ?
C2' Co1' B8' 84.14(14) . . ?
C1' Co1' B8' 85.03(14) . . ?
O3 Co1' B4' 91.77(12) . . ?
C2' Co1' B4' 85.48(14) . . ?
C1' Co1' B4' 49.83(14) . . ?
B8' Co1' B4' 51.30(15) . . ?
O3 Co1' B7' 168.37(13) . . ?
C2' Co1' B7' 48.75(14) . . ?
C1' Co1' B7' 84.92(14) . . ?
B8' Co1' B7' 50.37(16) . . ?
B4' Co1' B7' 88.38(15) . . ?
O3 Co1' S1 84.53(7) . . ?
C2' Co1' S1 107.27(10) . . ?
C1' Co1' S1 146.90(10) . . ?
B8' Co1' S1 117.82(11) . . ?
B4' Co1' S1 163.21(11) . . ?
B7' Co1' S1 92.00(11) . . ?
O3 Co1' Co1" 46.61(6) . . ?
C2' Co1' Co1" 112.31(9) . . ?
C1' Co1' Co1" 109.29(9) . . ?
B8' Co1' Co1" 162.86(11) . . ?
B4' Co1' Co1" 131.65(11) . . ?
B7' Co1' Co1" 137.70(11) . . ?
S1 Co1' Co1" 54.17(2) . . ?
O3 Co1' Co1 46.21(6) . . ?
C2' Co1' Co1 161.28(10) . . ?
C1' Co1' Co1 148.74(9) . . ?
B8' Co1' Co1 102.69(10) . . ?
B4' Co1' Co1 112.49(10) . . ?
B7' Co1' Co1 123.46(11) . . ?
S1 Co1' Co1 54.08(2) . . ?
Co1" Co1' Co1 60.172(16) . . ?
O2" Na1 O2' 87.76(9) . . ?
O2" Na1 O3 130.28(9) . . ?
O2' Na1 O3 123.00(9) . . ?
O2" Na1 O2 83.02(9) . . ?
O2' Na1 O2 87.34(9) . . ?
O3 Na1 O2 130.85(9) . . ?
O2" Na1 O1" 68.41(8) . . ?
O2' Na1 O1" 151.84(9) . . ?
O3 Na1 O1" 68.56(7) . . ?
O2 Na1 O1" 103.68(9) . . ?
O2" Na1 O1' 95.18(10) . . ?
O2' Na1 O1' 68.44(8) . . ?
O3 Na1 O1' 67.58(8) . . ?
O2 Na1 O1' 155.78(10) . . ?
O1" Na1 O1' 97.99(9) . . ?
O2" Na1 O1 150.41(10) . . ?
O2' Na1 O1 99.71(9) . . ?
O3 Na1 O1 68.47(7) . . ?
O2 Na1 O1 68.91(8) . . ?
O1" Na1 O1 108.42(9) . . ?
O1' Na1 O1 114.24(9) . . ?
Co1' S1 Co1" 71.73(3) . . ?
Co1' S1 Co1 71.93(3) . . ?
Co1" S1 Co1 72.00(3) . . ?
Co1 O3 Co1' 87.41(9) . . ?
Co1 O3 Co1" 87.47(9) . . ?
Co1' O3 Co1" 86.89(9) . . ?
Co1 O3 Na1 126.84(10) . . ?
Co1' O3 Na1 130.24(10) . . ?
Co1" O3 Na1 124.36(10) . . ?
B4 O1 C3 118.2(2) . . ?
B4 O1 Na1 121.8(2) . . ?
C3 O1 Na1 111.27(19) . . ?
C4 O2 C5 110.6(3) . . ?
C4 O2 Na1 113.36(19) . . ?
C5 O2 Na1 125.8(2) . . ?
O1 C3 C4 109.5(3) . . ?
O1 C3 H3A 109.8 . . ?
C4 C3 H3A 109.8 . . ?
O1 C3 H3B 109.8 . . ?
C4 C3 H3B 109.8 . . ?
H3A C3 H3B 108.2 . . ?
O2 C4 C3 108.9(3) . . ?
O2 C4 H4A 109.9 . . ?
C3 C4 H4A 109.9 . . ?
O2 C4 H4B 109.9 . . ?
C3 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
O2 C5 H5A 109.5 . . ?
O2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
O2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
B4' O1' C3' 119.4(3) . . ?
B4' O1' Na1 128.4(2) . . ?
C3' O1' Na1 108.0(2) . . ?
C4' O2' C5' 111.7(3) . . ?
C4' O2' Na1 117.62(19) . . ?
C5' O2' Na1 122.5(2) . . ?
O1' C3' C4' 109.0(3) . . ?
O1' C3' H3'A 109.9 . . ?
C4' C3' H3'A 109.9 . . ?
O1' C3' H3'B 109.9 . . ?
C4' C3' H3'B 109.9 . . ?
H3'A C3' H3'B 108.3 . . ?
O2' C4' C3' 109.2(3) . . ?
O2' C4' H4'A 109.8 . . ?
C3' C4' H4'A 109.8 . . ?
O2' C4' H4'B 109.8 . . ?
C3' C4' H4'B 109.8 . . ?
H4'A C4' H4'B 108.3 . . ?
O2' C5' H5'A 109.5 . . ?
O2' C5' H5'B 109.5 . . ?
H5'A C5' H5'B 109.5 . . ?
O2' C5' H5'C 109.5 . . ?
H5'A C5' H5'C 109.5 . . ?
H5'B C5' H5'C 109.5 . . ?
B4" O1" C3" 119.2(3) . . ?
B4" O1" Na1 120.87(19) . . ?
C3" O1" Na1 112.53(19) . . ?
C4" O2" C5" 112.4(3) . . ?
C4" O2" Na1 114.4(2) . . ?
C5" O2" Na1 123.8(2) . . ?
O1" C3" C4" 109.0(3) . . ?
O1" C3" H3"A 109.9 . . ?
C4" C3" H3"A 109.9 . . ?
O1" C3" H3"B 109.9 . . ?
C4" C3" H3"B 109.9 . . ?
H3"A C3" H3"B 108.3 . . ?
O2" C4" C3" 107.7(3) . . ?
O2" C4" H4"A 110.2 . . ?
C3" C4" H4"A 110.2 . . ?
O2" C4" H4"B 110.2 . . ?
C3" C4" H4"B 110.2 . . ?
H4"A C4" H4"B 108.5 . . ?
O2" C5" H5"A 109.5 . . ?
O2" C5" H5"B 109.5 . . ?
H5"A C5" H5"B 109.5 . . ?
O2" C5" H5"C 109.5 . . ?
H5"A C5" H5"C 109.5 . . ?
H5"B C5" H5"C 109.5 . . ?
C2 C1 B5 110.6(3) . . ?
C2 C1 B6 61.5(2) . . ?
B5 C1 B6 61.7(2) . . ?
C2 C1 B4 111.2(3) . . ?
B5 C1 B4 63.1(2) . . ?
B6 C1 B4 114.2(3) . . ?
C2 C1 Co1 66.11(18) . . ?
B5 C1 Co1 124.2(2) . . ?
B6 C1 Co1 123.6(2) . . ?
B4 C1 Co1 67.26(17) . . ?
C2 C1 H1 121.8 . . ?
B5 C1 H1 117.2 . . ?
B6 C1 H1 116.4 . . ?
B4 C1 H1 118.8 . . ?
Co1 C1 H1 107.7 . . ?
C1 C2 B7 112.5(3) . . ?
C1 C2 B11 111.2(3) . . ?
B7 C2 B11 63.1(3) . . ?
C1 C2 B6 61.6(2) . . ?
B7 C2 B6 114.5(3) . . ?
B11 C2 B6 61.7(2) . . ?
C1 C2 Co1 65.76(16) . . ?
B7 C2 Co1 68.51(19) . . ?
B11 C2 Co1 125.2(3) . . ?
B6 C2 Co1 123.3(2) . . ?
C1 C2 H2 121.5 . . ?
B7 C2 H2 117.8 . . ?
B11 C2 H2 116.8 . . ?
B6 C2 H2 116.8 . . ?
Co1 C2 H2 107.3 . . ?
O1 B4 C1 121.3(3) . . ?
O1 B4 B9 125.6(3) . . ?
C1 B4 B9 102.8(3) . . ?
O1 B4 B5 119.0(3) . . ?
C1 B4 B5 57.0(2) . . ?
B9 B4 B5 59.9(2) . . ?
O1 B4 B8 128.0(3) . . ?
C1 B4 B8 103.0(3) . . ?
B9 B4 B8 59.9(2) . . ?
B5 B4 B8 107.0(3) . . ?
O1 B4 Co1 111.7(2) . . ?
C1 B4 Co1 62.46(16) . . ?
B9 B4 Co1 116.5(2) . . ?
B5 B4 Co1 114.6(2) . . ?
B8 B4 Co1 64.48(17) . . ?
C1 B5 B6 60.0(2) . . ?
C1 B5 B9 104.4(3) . . ?
B6 B5 B9 107.7(3) . . ?
C1 B5 B10 105.8(3) . . ?
B6 B5 B10 59.8(2) . . ?
B9 B5 B10 60.0(2) . . ?
C1 B5 B4 59.9(2) . . ?
B6 B5 B4 110.3(3) . . ?
B9 B5 B4 59.1(2) . . ?
B10 B5 B4 108.7(3) . . ?
C1 B5 H5 123.9 . . ?
B6 B5 H5 120.6 . . ?
B9 B5 H5 123.3 . . ?
B10 B5 H5 122.1 . . ?
B4 B5 H5 120.5 . . ?
C2 B6 C1 56.9(2) . . ?
C2 B6 B5 104.1(3) . . ?
C1 B6 B5 58.2(2) . . ?
C2 B6 B11 58.5(2) . . ?
C1 B6 B11 104.8(3) . . ?
B5 B6 B11 108.7(3) . . ?
C2 B6 B10 104.6(3) . . ?
C1 B6 B10 105.3(3) . . ?
B5 B6 B10 61.0(2) . . ?
B11 B6 B10 60.2(2) . . ?
C2 B6 H6 125.1 . . ?
C1 B6 H6 124.6 . . ?
B5 B6 H6 122.0 . . ?
B11 B6 H6 121.8 . . ?
B10 B6 H6 122.4 . . ?
C2 B7 B12 104.4(3) . . ?
C2 B7 B8 104.9(3) . . ?
B12 B7 B8 60.1(2) . . ?
C2 B7 B11 58.5(2) . . ?
B12 B7 B11 60.0(2) . . ?
B8 B7 B11 108.3(3) . . ?
C2 B7 Co1 62.91(17) . . ?
B12 B7 Co1 116.9(3) . . ?
B8 B7 Co1 64.77(18) . . ?
B11 B7 Co1 116.2(3) . . ?
C2 B7 H7 125.7 . . ?
B12 B7 H7 120.9 . . ?
B8 B7 H7 122.4 . . ?
B11 B7 H7 120.1 . . ?
Co1 B7 H7 113.0 . . ?
B7 B8 B12 59.8(2) . . ?
B7 B8 B9 106.9(3) . . ?
B12 B8 B9 59.6(2) . . ?
B7 B8 B4 108.5(3) . . ?
B12 B8 B4 107.2(3) . . ?
B9 B8 B4 58.4(2) . . ?
B7 B8 Co1 65.22(17) . . ?
B12 B8 Co1 117.0(2) . . ?
B9 B8 Co1 114.8(2) . . ?
B4 B8 Co1 64.02(16) . . ?
B7 B8 H8 121.8 . . ?
B12 B8 H8 120.3 . . ?
B9 B8 H8 121.9 . . ?
B4 B8 H8 122.7 . . ?
Co1 B8 H8 113.2 . . ?
B4 B9 B12 110.0(3) . . ?
B4 B9 B5 61.0(2) . . ?
B12 B9 B5 108.1(3) . . ?
B4 B9 B10 110.4(3) . . ?
B12 B9 B10 60.0(2) . . ?
B5 B9 B10 60.2(2) . . ?
B4 B9 B8 61.7(2) . . ?
B12 B9 B8 59.9(2) . . ?
B5 B9 B8 109.3(3) . . ?
B10 B9 B8 108.8(3) . . ?
B4 B9 H9 119.6 . . ?
B12 B9 H9 121.7 . . ?
B5 B9 H9 121.4 . . ?
B10 B9 H9 121.1 . . ?
B8 B9 H9 121.0 . . ?
B6 B10 B11 59.6(3) . . ?
B6 B10 B12 107.8(3) . . ?
B11 B10 B12 60.1(3) . . ?
B6 B10 B9 107.0(3) . . ?
B11 B10 B9 107.3(3) . . ?
B12 B10 B9 59.8(2) . . ?
B6 B10 B5 59.2(2) . . ?
B11 B10 B5 106.8(3) . . ?
B12 B10 B5 107.6(3) . . ?
B9 B10 B5 59.8(2) . . ?
B6 B10 H10 122.3 . . ?
B11 B10 H10 122.2 . . ?
B12 B10 H10 121.6 . . ?
B9 B10 H10 122.2 . . ?
B5 B10 H10 122.4 . . ?
C2 B11 B6 59.8(2) . . ?
C2 B11 B10 105.5(3) . . ?
B6 B11 B10 60.1(2) . . ?
C2 B11 B12 104.3(3) . . ?
B6 B11 B12 108.2(3) . . ?
B10 B11 B12 60.2(2) . . ?
C2 B11 B7 58.4(2) . . ?
B6 B11 B7 109.0(3) . . ?
B10 B11 B7 108.7(3) . . ?
B12 B11 B7 59.9(2) . . ?
C2 B11 H11 124.6 . . ?
B6 B11 H11 120.8 . . ?
B10 B11 H11 121.9 . . ?
B12 B11 H11 122.7 . . ?
B7 B11 H11 121.2 . . ?
B9 B12 B7 107.8(3) . . ?
B9 B12 B11 107.3(3) . . ?
B7 B12 B11 60.1(2) . . ?
B9 B12 B10 60.2(2) . . ?
B7 B12 B10 108.5(3) . . ?
B11 B12 B10 59.7(2) . . ?
B9 B12 B8 60.5(2) . . ?
B7 B12 B8 60.1(2) . . ?
B11 B12 B8 108.4(3) . . ?
B10 B12 B8 109.5(3) . . ?
B9 B12 H12 122.0 . . ?
B7 B12 H12 121.7 . . ?
B11 B12 H12 122.1 . . ?
B10 B12 H12 121.1 . . ?
B8 B12 H12 120.8 . . ?
C2' C1' B5' 110.9(2) . . ?
C2' C1' B6' 61.9(2) . . ?
B5' C1' B6' 61.7(2) . . ?
C2' C1' B4' 111.6(3) . . ?
B5' C1' B4' 63.5(2) . . ?
B6' C1' B4' 114.9(3) . . ?
C2' C1' Co1' 65.86(16) . . ?
B5' C1' Co1' 125.3(2) . . ?
B6' C1' Co1' 124.0(2) . . ?
B4' C1' Co1' 67.92(16) . . ?
C2' C1' H1' 121.9 . . ?
B5' C1' H1' 116.8 . . ?
B6' C1' H1' 116.2 . . ?
B4' C1' H1' 118.1 . . ?
Co1' C1' H1' 107.2 . . ?
C1' C2' B11' 110.9(3) . . ?
C1' C2' B7' 112.7(3) . . ?
B11' C2' B7' 63.6(2) . . ?
C1' C2' B6' 61.2(2) . . ?
B11' C2' B6' 61.9(2) . . ?
B7' C2' B6' 115.3(3) . . ?
C1' C2' Co1' 66.00(15) . . ?
B11' C2' Co1' 125.7(2) . . ?
B7' C2' Co1' 68.68(17) . . ?
B6' C2' Co1' 123.5(2) . . ?
C1' C2' H2' 121.8 . . ?
B11' C2' H2' 116.7 . . ?
B7' C2' H2' 117.2 . . ?
B6' C2' H2' 116.6 . . ?
Co1' C2' H2' 107.0 . . ?
O1' B4' C1' 121.3(3) . . ?
O1' B4' B9' 126.0(3) . . ?
C1' B4' B9' 103.0(2) . . ?
O1' B4' B5' 119.6(3) . . ?
C1' B4' B5' 57.13(19) . . ?
B9' B4' B5' 60.1(2) . . ?
O1' B4' B8' 127.5(3) . . ?
C1' B4' B8' 102.8(3) . . ?
B9' B4' B8' 60.0(2) . . ?
B5' B4' B8' 107.2(3) . . ?
O1' B4' Co1' 111.0(2) . . ?
C1' B4' Co1' 62.25(15) . . ?
B9' B4' Co1' 116.4(2) . . ?
B5' B4' Co1' 114.5(2) . . ?
B8' B4' Co1' 64.30(17) . . ?
C1' B5' B6' 59.6(2) . . ?
C1' B5' B10' 105.4(3) . . ?
B6' B5' B10' 60.5(2) . . ?
C1' B5' B9' 103.7(3) . . ?
B6' B5' B9' 108.1(3) . . ?
B10' B5' B9' 59.7(2) . . ?
C1' B5' B4' 59.3(2) . . ?
B6' B5' B4' 109.7(3) . . ?
B10' B5' B4' 108.0(3) . . ?
B9' B5' B4' 58.8(2) . . ?
C1' B5' H5' 124.5 . . ?
B6' B5' H5' 120.3 . . ?
B10' B5' H5' 122.1 . . ?
B9' B5' H5' 123.5 . . ?
B4' B5' H5' 121.1 . . ?
C1' B6' C2' 56.97(18) . . ?
C1' B6' B5' 58.6(2) . . ?
C2' B6' B5' 104.6(3) . . ?
C1' B6' B11' 104.6(3) . . ?
C2' B6' B11' 58.3(2) . . ?
B5' B6' B11' 108.6(3) . . ?
C1' B6' B10' 104.6(3) . . ?
C2' B6' B10' 104.0(3) . . ?
B5' B6' B10' 60.6(2) . . ?
B11' B6' B10' 59.9(2) . . ?
C1' B6' H6' 124.7 . . ?
C2' B6' H6' 125.1 . . ?
B5' B6' H6' 121.7 . . ?
B11' B6' H6' 122.0 . . ?
B10' B6' H6' 123.1 . . ?
C2' B7' B12' 103.9(3) . . ?
C2' B7' B11' 58.1(2) . . ?
B12' B7' B11' 59.7(2) . . ?
C2' B7' B8' 104.1(3) . . ?
B12' B7' B8' 60.2(2) . . ?
B11' B7' B8' 107.6(3) . . ?
C2' B7' Co1' 62.57(15) . . ?
B12' B7' Co1' 116.9(2) . . ?
B11' B7' Co1' 115.5(2) . . ?
B8' B7' Co1' 64.69(16) . . ?
C2' B7' H7' 126.2 . . ?
B12' B7' H7' 120.9 . . ?
B11' B7' H7' 120.7 . . ?
B8' B7' H7' 122.7 . . ?
Co1' B7' H7' 113.2 . . ?
B12' B8' B7' 59.2(2) . . ?
B12' B8' B9' 60.1(2) . . ?
B7' B8' B9' 107.2(3) . . ?
B12' B8' B4' 107.3(3) . . ?
B7' B8' B4' 108.7(3) . . ?
B9' B8' B4' 58.5(2) . . ?
B12' B8' Co1' 116.3(2) . . ?
B7' B8' Co1' 64.94(17) . . ?
B9' B8' Co1' 115.2(2) . . ?
B4' B8' Co1' 64.40(16) . . ?
B12' B8' H8' 120.6 . . ?
B7' B8' H8' 122.0 . . ?
B9' B8' H8' 121.4 . . ?
B4' B8' H8' 122.5 . . ?
Co1' B8' H8' 113.3 . . ?
B4' B9' B10' 109.9(3) . . ?
B4' B9' B5' 61.1(2) . . ?
B10' B9' B5' 59.8(2) . . ?
B4' B9' B12' 109.3(3) . . ?
B10' B9' B12' 59.8(2) . . ?
B5' B9' B12' 107.4(3) . . ?
B4' B9' B8' 61.5(2) . . ?
B10' B9' B8' 108.4(3) . . ?
B5' B9' B8' 109.1(3) . . ?
B12' B9' B8' 59.6(2) . . ?
B4' B9' H9' 119.8 . . ?
B10' B9' H9' 121.4 . . ?
B5' B9' H9' 121.6 . . ?
B12' B9' H9' 122.1 . . ?
B8' B9' H9' 121.1 . . ?
B11' B10' B9' 108.0(3) . . ?
B11' B10' B6' 59.5(2) . . ?
B9' B10' B6' 107.4(2) . . ?
B11' B10' B5' 107.0(2) . . ?
B9' B10' B5' 60.5(2) . . ?
B6' B10' B5' 58.9(2) . . ?
B11' B10' B12' 59.9(2) . . ?
B9' B10' B12' 60.6(2) . . ?
B6' B10' B12' 107.6(3) . . ?
B5' B10' B12' 108.6(3) . . ?
B11' B10' H10' 122.2 . . ?
B9' B10' H10' 121.4 . . ?
B6' B10' H10' 122.6 . . ?
B5' B10' H10' 122.0 . . ?
B12' B10' H10' 121.3 . . ?
C2' B11' B6' 59.8(2) . . ?
C2' B11' B10' 105.6(3) . . ?
B6' B11' B10' 60.6(2) . . ?
C2' B11' B12' 103.9(2) . . ?
B6' B11' B12' 108.8(3) . . ?
B10' B11' B12' 60.4(2) . . ?
C2' B11' B7' 58.33(19) . . ?
B6' B11' B7' 109.2(3) . . ?
B10' B11' B7' 108.6(3) . . ?
B12' B11' B7' 59.5(2) . . ?
C2' B11' H11' 124.8 . . ?
B6' B11' H11' 120.3 . . ?
B10' B11' H11' 121.7 . . ?
B12' B11' H11' 122.7 . . ?
B7' B11' H11' 121.3 . . ?
B7' B12' B11' 60.8(2) . . ?
B7' B12' B10' 109.1(3) . . ?
B11' B12' B10' 59.7(2) . . ?
B7' B12' B8' 60.6(2) . . ?
B11' B12' B8' 108.8(3) . . ?
B10' B12' B8' 108.8(3) . . ?
B7' B12' B9' 108.4(3) . . ?
B11' B12' B9' 107.1(3) . . ?
B10' B12' B9' 59.6(2) . . ?
B8' B12' B9' 60.2(2) . . ?
B7' B12' H12' 120.8 . . ?
B11' B12' H12' 121.8 . . ?
B10' B12' H12' 121.4 . . ?
B8' B12' H12' 121.0 . . ?
B9' B12' H12' 122.3 . . ?
C2" C1" B5" 111.3(3) . . ?
C2" C1" B6" 62.1(2) . . ?
B5" C1" B6" 62.0(2) . . ?
C2" C1" B4" 111.5(2) . . ?
B5" C1" B4" 63.3(2) . . ?
B6" C1" B4" 114.9(2) . . ?
C2" C1" Co1" 66.20(15) . . ?
B5" C1" Co1" 124.8(2) . . ?
B6" C1" Co1" 124.4(2) . . ?
B4" C1" Co1" 67.34(15) . . ?
C2" C1" H1" 121.5 . . ?
B5" C1" H1" 116.7 . . ?
B6" C1" H1" 115.8 . . ?
B4" C1" H1" 118.6 . . ?
Co1" C1" H1" 107.4 . . ?
C1" C2" B11" 111.1(3) . . ?
C1" C2" B7" 112.1(2) . . ?
B11" C2" B7" 63.5(2) . . ?
C1" C2" B6" 61.4(2) . . ?
B11" C2" B6" 62.0(2) . . ?
B7" C2" B6" 114.9(3) . . ?
C1" C2" Co1" 66.19(15) . . ?
B11" C2" Co1" 125.4(2) . . ?
B7" C2" Co1" 68.02(16) . . ?
B6" C2" Co1" 123.8(2) . . ?
C1" C2" H2" 121.7 . . ?
B11" C2" H2" 116.6 . . ?
B7" C2" H2" 118.0 . . ?
B6" C2" H2" 116.4 . . ?
Co1" C2" H2" 107.1 . . ?
O1" B4" C1" 120.3(3) . . ?
O1" B4" B9" 125.7(3) . . ?
C1" B4" B9" 103.1(2) . . ?
O1" B4" B5" 118.1(3) . . ?
C1" B4" B5" 57.23(18) . . ?
B9" B4" B5" 59.88(19) . . ?
O1" B4" B8" 128.5(3) . . ?
C1" B4" B8" 103.5(2) . . ?
B9" B4" B8" 60.14(19) . . ?
B5" B4" B8" 107.4(2) . . ?
O1" B4" Co1" 111.0(2) . . ?
C1" B4" Co1" 63.05(15) . . ?
B9" B4" Co1" 117.3(2) . . ?
B5" B4" Co1" 115.5(2) . . ?
B8" B4" Co1" 64.82(16) . . ?
C1" B5" B6" 59.9(2) . . ?
C1" B5" B10" 105.6(3) . . ?
B6" B5" B10" 60.1(2) . . ?
C1" B5" B9" 104.2(2) . . ?
B6" B5" B9" 108.3(3) . . ?
B10" B5" B9" 60.3(2) . . ?
C1" B5" B4" 59.45(18) . . ?
B6" B5" B4" 110.0(3) . . ?
B10" B5" B4" 108.6(2) . . ?
B9" B5" B4" 59.07(19) . . ?
C1" B5" H5" 124.3 . . ?
B6" B5" H5" 120.4 . . ?
B10" B5" H5" 121.9 . . ?
B9" B5" H5" 123.1 . . ?
B4" B5" H5" 120.8 . . ?
C1" B6" C2" 56.50(18) . . ?
C1" B6" B5" 58.1(2) . . ?
C2" B6" B5" 103.7(2) . . ?
C1" B6" B11" 104.1(2) . . ?
C2" B6" B11" 58.1(2) . . ?
B5" B6" B11" 108.6(3) . . ?
C1" B6" B10" 104.4(2) . . ?
C2" B6" B10" 104.5(2) . . ?
B5" B6" B10" 60.4(2) . . ?
B11" B6" B10" 60.8(2) . . ?
C1" B6" H6" 125.2 . . ?
C2" B6" H6" 125.3 . . ?
B5" B6" H6" 122.2 . . ?
B11" B6" H6" 121.9 . . ?
B10" B6" H6" 122.6 . . ?
C2" B7" B12" 103.6(2) . . ?
C2" B7" B8" 104.3(2) . . ?
B12" B7" B8" 60.1(2) . . ?
C2" B7" B11" 57.9(2) . . ?
B12" B7" B11" 59.8(2) . . ?
B8" B7" B11" 107.9(3) . . ?
C2" B7" Co1" 63.07(16) . . ?
B12" B7" Co1" 117.1(2) . . ?
B8" B7" Co1" 64.88(16) . . ?
B11" B7" Co1" 116.0(2) . . ?
C2" B7" H7" 126.3 . . ?
B12" B7" H7" 121.0 . . ?
B8" B7" H7" 122.6 . . ?
B11" B7" H7" 120.5 . . ?
Co1" B7" H7" 112.8 . . ?
B12" B8" B7" 59.4(2) . . ?
B12" B8" B9" 60.3(2) . . ?
B7" B8" B9" 107.6(2) . . ?
B12" B8" B4" 107.4(2) . . ?
B7" B8" B4" 108.5(2) . . ?
B9" B8" B4" 58.68(19) . . ?
B12" B8" Co1" 116.6(2) . . ?
B7" B8" Co1" 64.93(16) . . ?
B9" B8" Co1" 115.6(2) . . ?
B4" B8" Co1" 64.30(15) . . ?
B12" B8" H8" 120.4 . . ?
B7" B8" H8" 121.9 . . ?
B9" B8" H8" 121.1 . . ?
B4" B8" H8" 122.6 . . ?
Co1" B8" H8" 113.2 . . ?
B4" B9" B5" 61.06(19) . . ?
B4" B9" B10" 109.8(2) . . ?
B5" B9" B10" 59.8(2) . . ?
B4" B9" B8" 61.18(19) . . ?
B5" B9" B8" 109.2(2) . . ?
B10" B9" B8" 108.8(3) . . ?
B4" B9" B12" 108.9(3) . . ?
B5" B9" B12" 107.5(3) . . ?
B10" B9" B12" 60.0(2) . . ?
B8" B9" B12" 59.7(2) . . ?
B4" B9" H9" 120.2 . . ?
B5" B9" H9" 121.6 . . ?
B10" B9" H9" 121.2 . . ?
B8" B9" H9" 121.0 . . ?
B12" B9" H9" 122.2 . . ?
B6" B10" B5" 59.5(2) . . ?
B6" B10" B9" 107.5(3) . . ?
B5" B10" B9" 59.9(2) . . ?
B6" B10" B12" 107.3(3) . . ?
B5" B10" B12" 107.7(3) . . ?
B9" B10" B12" 60.2(2) . . ?
B6" B10" B11" 59.5(2) . . ?
B5" B10" B11" 106.9(3) . . ?
B9" B10" B11" 107.4(3) . . ?
B12" B10" B11" 59.5(2) . . ?
B6" B10" H10" 122.2 . . ?
B5" B10" H10" 122.2 . . ?
B9" B10" H10" 121.8 . . ?
B12" B10" H10" 121.9 . . ?
B11" B10" H10" 122.4 . . ?
C2" B11" B6" 59.9(2) . . ?
C2" B11" B12" 103.8(2) . . ?
B6" B11" B12" 107.9(3) . . ?
C2" B11" B10" 105.0(3) . . ?
B6" B11" B10" 59.6(2) . . ?
B12" B11" B10" 60.2(2) . . ?
C2" B11" B7" 58.60(19) . . ?
B6" B11" B7" 109.2(3) . . ?
B12" B11" B7" 59.4(2) . . ?
B10" B11" B7" 108.2(3) . . ?
C2" B11" H11" 124.7 . . ?
B6" B11" H11" 120.7 . . ?
B12" B11" H11" 123.0 . . ?
B10" B11" H11" 122.3 . . ?
B7" B11" H11" 121.2 . . ?
B7" B12" B11" 60.8(2) . . ?
B7" B12" B8" 60.4(2) . . ?
B11" B12" B8" 109.0(3) . . ?
B7" B12" B10" 109.5(3) . . ?
B11" B12" B10" 60.3(2) . . ?
B8" B12" B10" 108.9(2) . . ?
B7" B12" B9" 108.2(2) . . ?
B11" B12" B9" 107.7(3) . . ?
B8" B12" B9" 60.04(19) . . ?
B10" B12" B9" 59.8(2) . . ?
B7" B12" H12" 120.9 . . ?
B11" B12" H12" 121.4 . . ?
B8" B12" H12" 121.1 . . ?
B10" B12" H12" 121.1 . . ?
B9" B12" H12" 122.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Co1 O3 Co1' 111.10(11) . . . . ?
C2 Co1 O3 Co1' 75.06(18) . . . . ?
B4 Co1 O3 Co1' 161.14(12) . . . . ?
B8 Co1 O3 Co1' -157.23(15) . . . . ?
S1 Co1 O3 Co1' -43.49(6) . . . . ?
Co1" Co1 O3 Co1' -87.00(8) . . . . ?
C1 Co1 O3 Co1" -161.90(11) . . . . ?
C2 Co1 O3 Co1" 162.06(15) . . . . ?
B4 Co1 O3 Co1" -111.86(12) . . . . ?
B8 Co1 O3 Co1" -70.23(17) . . . . ?
S1 Co1 O3 Co1" 43.51(6) . . . . ?
Co1' Co1 O3 Co1" 87.00(8) . . . . ?
C1 Co1 O3 Na1 -29.63(15) . . . . ?
C2 Co1 O3 Na1 -65.7(2) . . . . ?
B4 Co1 O3 Na1 20.41(16) . . . . ?
B8 Co1 O3 Na1 62.0(2) . . . . ?
S1 Co1 O3 Na1 175.78(12) . . . . ?
Co1' Co1 O3 Na1 -140.73(16) . . . . ?
Co1" Co1 O3 Na1 132.27(15) . . . . ?
C2' Co1' O3 Co1 155.12(17) . . . . ?
C1' Co1' O3 Co1 -168.94(11) . . . . ?
B8' Co1' O3 Co1 -76.01(15) . . . . ?
B4' Co1' O3 Co1 -120.04(13) . . . . ?
B7' Co1' O3 Co1 -29.5(7) . . . . ?
S1 Co1' O3 Co1 43.55(6) . . . . ?
Co1" Co1' O3 Co1 87.60(8) . . . . ?
C2' Co1' O3 Co1" 67.5(2) . . . . ?
C1' Co1' O3 Co1" 103.46(11) . . . . ?
B8' Co1' O3 Co1" -163.62(13) . . . . ?
B4' Co1' O3 Co1" 152.36(12) . . . . ?
B7' Co1' O3 Co1" -117.1(6) . . . . ?
S1 Co1' O3 Co1" -44.05(6) . . . . ?
Co1 Co1' O3 Co1" -87.60(8) . . . . ?
C2' Co1' O3 Na1 -66.5(2) . . . . ?
C1' Co1' O3 Na1 -30.52(17) . . . . ?
B8' Co1' O3 Na1 62.40(19) . . . . ?
B4' Co1' O3 Na1 18.38(16) . . . . ?
B7' Co1' O3 Na1 108.9(6) . . . . ?
S1 Co1' O3 Na1 -178.03(13) . . . . ?
Co1" Co1' O3 Na1 -133.98(16) . . . . ?
Co1 Co1' O3 Na1 138.42(17) . . . . ?
C1" Co1" O3 Co1 110.31(11) . . . . ?
C2" Co1" O3 Co1 74.27(18) . . . . ?
B4" Co1" O3 Co1 159.60(11) . . . . ?
B8" Co1" O3 Co1 -158.41(12) . . . . ?
S1 Co1" O3 Co1 -43.53(6) . . . . ?
Co1' Co1" O3 Co1 -87.54(8) . . . . ?
C1" Co1" O3 Co1' -162.14(10) . . . . ?
C2" Co1" O3 Co1' 161.82(15) . . . . ?
B4" Co1" O3 Co1' -112.86(11) . . . . ?
B8" Co1" O3 Co1' -70.86(14) . . . . ?
S1 Co1" O3 Co1' 44.01(6) . . . . ?
Co1 Co1" O3 Co1' 87.54(8) . . . . ?
C1" Co1" O3 Na1 -23.85(14) . . . . ?
C2" Co1" O3 Na1 -59.9(2) . . . . ?
B4" Co1" O3 Na1 25.44(14) . . . . ?
B8" Co1" O3 Na1 67.43(17) . . . . ?
S1 Co1" O3 Na1 -177.70(11) . . . . ?
Co1' Co1" O3 Na1 138.29(15) . . . . ?
Co1 Co1" O3 Na1 -134.16(14) . . . . ?
B4 O1 C3 C4 -167.9(3) . . . . ?
Na1 O1 C3 C4 43.9(3) . . . . ?
C5 O2 C4 C3 -166.8(3) . . . . ?
Na1 O2 C4 C3 45.8(3) . . . . ?
O1 C3 C4 O2 -60.4(4) . . . . ?
B4' O1' C3' C4' -148.0(3) . . . . ?
Na1 O1' C3' C4' 53.2(3) . . . . ?
C5' O2' C4' C3' -178.9(3) . . . . ?
Na1 O2' C4' C3' 31.8(4) . . . . ?
O1' C3' C4' O2' -57.3(4) . . . . ?
B4" O1" C3" C4" -171.7(3) . . . . ?
Na1 O1" C3" C4" 38.0(3) . . . . ?
C5" O2" C4" C3" -160.9(3) . . . . ?
Na1 O2" C4" C3" 51.2(3) . . . . ?
O1" C3" C4" O2" -58.4(4) . . . . ?
B5 C1 C2 B7 67.8(3) . . . . ?
B6 C1 C2 B7 106.6(3) . . . . ?
B4 C1 C2 B7 -0.3(4) . . . . ?
Co1 C1 C2 B7 -51.6(2) . . . . ?
B5 C1 C2 B11 -0.8(4) . . . . ?
B6 C1 C2 B11 38.0(3) . . . . ?
B4 C1 C2 B11 -68.9(4) . . . . ?
Co1 C1 C2 B11 -120.2(3) . . . . ?
B5 C1 C2 B6 -38.9(3) . . . . ?
B4 C1 C2 B6 -106.9(3) . . . . ?
Co1 C1 C2 B6 -158.3(2) . . . . ?
B5 C1 C2 Co1 119.4(3) . . . . ?
B6 C1 C2 Co1 158.3(2) . . . . ?
B4 C1 C2 Co1 51.4(2) . . . . ?
C3 O1 B4 C1 -118.7(3) . . . . ?
Na1 O1 B4 C1 26.0(4) . . . . ?
C3 O1 B4 B9 20.3(5) . . . . ?
Na1 O1 B4 B9 165.0(3) . . . . ?
C3 O1 B4 B5 -51.7(4) . . . . ?
Na1 O1 B4 B5 93.0(3) . . . . ?
C3 O1 B4 B8 97.4(4) . . . . ?
Na1 O1 B4 B8 -117.9(3) . . . . ?
C3 O1 B4 Co1 171.2(2) . . . . ?
Na1 O1 B4 Co1 -44.1(3) . . . . ?
C2 C1 B4 O1 -150.5(3) . . . . ?
B5 C1 B4 O1 106.4(3) . . . . ?
B6 C1 B4 O1 142.2(3) . . . . ?
Co1 C1 B4 O1 -99.8(3) . . . . ?
C2 C1 B4 B9 62.6(3) . . . . ?
B5 C1 B4 B9 -40.4(3) . . . . ?
B6 C1 B4 B9 -4.6(4) . . . . ?
Co1 C1 B4 B9 113.4(2) . . . . ?
C2 C1 B4 B5 103.1(3) . . . . ?
B6 C1 B4 B5 35.8(3) . . . . ?
Co1 C1 B4 B5 153.8(2) . . . . ?
C2 C1 B4 B8 1.0(3) . . . . ?
B5 C1 B4 B8 -102.0(3) . . . . ?
B6 C1 B4 B8 -66.3(3) . . . . ?
Co1 C1 B4 B8 51.76(19) . . . . ?
C2 C1 B4 Co1 -50.7(2) . . . . ?
B5 C1 B4 Co1 -153.8(2) . . . . ?
B6 C1 B4 Co1 -118.0(3) . . . . ?
C2 C1 B5 B6 38.8(3) . . . . ?
B4 C1 B5 B6 142.7(3) . . . . ?
Co1 C1 B5 B6 113.2(3) . . . . ?
C2 C1 B5 B9 -63.6(3) . . . . ?
B6 C1 B5 B9 -102.4(3) . . . . ?
B4 C1 B5 B9 40.4(3) . . . . ?
Co1 C1 B5 B9 10.9(4) . . . . ?
C2 C1 B5 B10 -1.2(4) . . . . ?
B6 C1 B5 B10 -40.0(3) . . . . ?
B4 C1 B5 B10 102.7(3) . . . . ?
Co1 C1 B5 B10 73.2(3) . . . . ?
C2 C1 B5 B4 -104.0(3) . . . . ?
B6 C1 B5 B4 -142.7(3) . . . . ?
Co1 C1 B5 B4 -29.5(3) . . . . ?
O1 B4 B5 C1 -110.4(3) . . . . ?
B9 B4 B5 C1 133.0(3) . . . . ?
B8 B4 B5 C1 94.7(3) . . . . ?
Co1 B4 B5 C1 25.5(2) . . . . ?
O1 B4 B5 B6 -144.3(3) . . . . ?
C1 B4 B5 B6 -34.0(3) . . . . ?
B9 B4 B5 B6 99.1(3) . . . . ?
B8 B4 B5 B6 60.7(3) . . . . ?
Co1 B4 B5 B6 -8.5(4) . . . . ?
O1 B4 B5 B9 116.6(3) . . . . ?
C1 B4 B5 B9 -133.0(3) . . . . ?
B8 B4 B5 B9 -38.4(2) . . . . ?
Co1 B4 B5 B9 -107.5(3) . . . . ?
O1 B4 B5 B10 151.8(3) . . . . ?
C1 B4 B5 B10 -97.8(3) . . . . ?
B9 B4 B5 B10 35.2(3) . . . . ?
B8 B4 B5 B10 -3.1(3) . . . . ?
Co1 B4 B5 B10 -72.3(3) . . . . ?
B7 C2 B6 C1 -103.4(3) . . . . ?
B11 C2 B6 C1 -139.3(3) . . . . ?
Co1 C2 B6 C1 -23.9(3) . . . . ?
C1 C2 B6 B5 35.8(3) . . . . ?
B7 C2 B6 B5 -67.6(4) . . . . ?
B11 C2 B6 B5 -103.6(3) . . . . ?
Co1 C2 B6 B5 11.9(4) . . . . ?
C1 C2 B6 B11 139.3(3) . . . . ?
B7 C2 B6 B11 36.0(3) . . . . ?
Co1 C2 B6 B11 115.5(3) . . . . ?
C1 C2 B6 B10 99.0(3) . . . . ?
B7 C2 B6 B10 -4.4(4) . . . . ?
B11 C2 B6 B10 -40.4(3) . . . . ?
Co1 C2 B6 B10 75.1(4) . . . . ?
B5 C1 B6 C2 138.2(3) . . . . ?
B4 C1 B6 C2 101.9(3) . . . . ?
Co1 C1 B6 C2 24.0(3) . . . . ?
C2 C1 B6 B5 -138.2(3) . . . . ?
B4 C1 B6 B5 -36.3(3) . . . . ?
Co1 C1 B6 B5 -114.2(3) . . . . ?
C2 C1 B6 B11 -35.1(3) . . . . ?
B5 C1 B6 B11 103.1(3) . . . . ?
B4 C1 B6 B11 66.8(4) . . . . ?
Co1 C1 B6 B11 -11.1(4) . . . . ?
C2 C1 B6 B10 -97.7(3) . . . . ?
B5 C1 B6 B10 40.5(3) . . . . ?
B4 C1 B6 B10 4.2(4) . . . . ?
Co1 C1 B6 B10 -73.7(3) . . . . ?
C1 B5 B6 C2 -35.2(3) . . . . ?
B9 B5 B6 C2 61.6(3) . . . . ?
B10 B5 B6 C2 99.1(3) . . . . ?
B4 B5 B6 C2 -1.2(4) . . . . ?
B9 B5 B6 C1 96.8(3) . . . . ?
B10 B5 B6 C1 134.3(3) . . . . ?
B4 B5 B6 C1 33.9(3) . . . . ?
C1 B5 B6 B11 -96.2(3) . . . . ?
B9 B5 B6 B11 0.6(4) . . . . ?
B10 B5 B6 B11 38.1(3) . . . . ?
B4 B5 B6 B11 -62.2(4) . . . . ?
C1 B5 B6 B10 -134.3(3) . . . . ?
B9 B5 B6 B10 -37.5(3) . . . . ?
B4 B5 B6 B10 -100.4(3) . . . . ?
C1 C2 B7 B12 -63.0(3) . . . . ?
B11 C2 B7 B12 40.3(3) . . . . ?
B6 C2 B7 B12 4.8(4) . . . . ?
Co1 C2 B7 B12 -113.2(3) . . . . ?
C1 C2 B7 B8 -0.6(4) . . . . ?
B11 C2 B7 B8 102.6(3) . . . . ?
B6 C2 B7 B8 67.2(3) . . . . ?
Co1 C2 B7 B8 -50.8(2) . . . . ?
C1 C2 B7 B11 -103.3(3) . . . . ?
B6 C2 B7 B11 -35.5(3) . . . . ?
Co1 C2 B7 B11 -153.5(2) . . . . ?
C1 C2 B7 Co1 50.2(2) . . . . ?
B11 C2 B7 Co1 153.5(2) . . . . ?
B6 C2 B7 Co1 118.0(3) . . . . ?
C2 B7 B8 B12 -98.3(3) . . . . ?
B11 B7 B8 B12 -37.1(3) . . . . ?
Co1 B7 B8 B12 -148.0(3) . . . . ?
C2 B7 B8 B9 -60.4(3) . . . . ?
B12 B7 B8 B9 37.9(3) . . . . ?
B11 B7 B8 B9 0.8(4) . . . . ?
Co1 B7 B8 B9 -110.1(2) . . . . ?
C2 B7 B8 B4 1.3(3) . . . . ?
B12 B7 B8 B4 99.5(3) . . . . ?
B11 B7 B8 B4 62.5(3) . . . . ?
Co1 B7 B8 B4 -48.5(2) . . . . ?
C2 B7 B8 Co1 49.7(2) . . . . ?
B12 B7 B8 Co1 148.0(3) . . . . ?
B11 B7 B8 Co1 110.9(3) . . . . ?
O1 B4 B8 B7 147.5(3) . . . . ?
C1 B4 B8 B7 -1.4(3) . . . . ?
B9 B4 B8 B7 -98.9(3) . . . . ?
B5 B4 B8 B7 -60.5(3) . . . . ?
Co1 B4 B8 B7 49.1(2) . . . . ?
O1 B4 B8 B12 -149.4(3) . . . . ?
C1 B4 B8 B12 61.7(3) . . . . ?
B9 B4 B8 B12 -35.7(3) . . . . ?
B5 B4 B8 B12 2.6(3) . . . . ?
Co1 B4 B8 B12 112.3(3) . . . . ?
O1 B4 B8 B9 -113.6(4) . . . . ?
C1 B4 B8 B9 97.5(3) . . . . ?
B5 B4 B8 B9 38.3(2) . . . . ?
Co1 B4 B8 B9 148.0(2) . . . . ?
O1 B4 B8 Co1 98.4(3) . . . . ?
C1 B4 B8 Co1 -50.51(18) . . . . ?
B9 B4 B8 Co1 -148.0(2) . . . . ?
B5 B4 B8 Co1 -109.6(2) . . . . ?
O1 B4 B9 B12 154.0(3) . . . . ?
C1 B4 B9 B12 -61.2(3) . . . . ?
B5 B4 B9 B12 -100.1(3) . . . . ?
B8 B4 B9 B12 36.6(3) . . . . ?
Co1 B4 B9 B12 4.2(4) . . . . ?
O1 B4 B9 B5 -105.9(4) . . . . ?
C1 B4 B9 B5 39.0(2) . . . . ?
B8 B4 B9 B5 136.7(3) . . . . ?
Co1 B4 B9 B5 104.4(3) . . . . ?
O1 B4 B9 B10 -141.7(3) . . . . ?
C1 B4 B9 B10 3.2(4) . . . . ?
B5 B4 B9 B10 -35.8(3) . . . . ?
B8 B4 B9 B10 100.9(3) . . . . ?
Co1 B4 B9 B10 68.6(3) . . . . ?
O1 B4 B9 B8 117.4(4) . . . . ?
C1 B4 B9 B8 -97.7(3) . . . . ?
B5 B4 B9 B8 -136.7(3) . . . . ?
Co1 B4 B9 B8 -32.3(2) . . . . ?
C1 B5 B9 B4 -40.8(2) . . . . ?
B6 B5 B9 B4 -103.4(3) . . . . ?
B10 B5 B9 B4 -140.9(3) . . . . ?
C1 B5 B9 B12 62.6(3) . . . . ?
B6 B5 B9 B12 -0.1(4) . . . . ?
B10 B5 B9 B12 -37.5(3) . . . . ?
B4 B5 B9 B12 103.4(3) . . . . ?
C1 B5 B9 B10 100.1(3) . . . . ?
B6 B5 B9 B10 37.4(3) . . . . ?
B4 B5 B9 B10 140.9(3) . . . . ?
C1 B5 B9 B8 -1.0(4) . . . . ?
B6 B5 B9 B8 -63.7(3) . . . . ?
B10 B5 B9 B8 -101.1(3) . . . . ?
B4 B5 B9 B8 39.8(3) . . . . ?
B7 B8 B9 B4 101.7(3) . . . . ?
B12 B8 B9 B4 139.7(3) . . . . ?
Co1 B8 B9 B4 31.7(2) . . . . ?
B7 B8 B9 B12 -38.0(3) . . . . ?
B4 B8 B9 B12 -139.7(3) . . . . ?
Co1 B8 B9 B12 -108.0(3) . . . . ?
B7 B8 B9 B5 62.2(3) . . . . ?
B12 B8 B9 B5 100.2(3) . . . . ?
B4 B8 B9 B5 -39.5(3) . . . . ?
Co1 B8 B9 B5 -7.8(4) . . . . ?
B7 B8 B9 B10 -1.9(4) . . . . ?
B12 B8 B9 B10 36.1(3) . . . . ?
B4 B8 B9 B10 -103.6(3) . . . . ?
Co1 B8 B9 B10 -71.9(3) . . . . ?
C2 B6 B10 B11 39.5(3) . . . . ?
C1 B6 B10 B11 98.6(3) . . . . ?
B5 B6 B10 B11 137.7(3) . . . . ?
C2 B6 B10 B12 2.0(4) . . . . ?
C1 B6 B10 B12 61.1(4) . . . . ?
B5 B6 B10 B12 100.2(3) . . . . ?
B11 B6 B10 B12 -37.5(3) . . . . ?
C2 B6 B10 B9 -60.9(4) . . . . ?
C1 B6 B10 B9 -1.9(4) . . . . ?
B5 B6 B10 B9 37.2(3) . . . . ?
B11 B6 B10 B9 -100.4(3) . . . . ?
C2 B6 B10 B5 -98.2(3) . . . . ?
C1 B6 B10 B5 -39.1(3) . . . . ?
B11 B6 B10 B5 -137.7(3) . . . . ?
B4 B9 B10 B6 -0.9(4) . . . . ?
B12 B9 B10 B6 101.1(3) . . . . ?
B5 B9 B10 B6 -37.0(3) . . . . ?
B8 B9 B10 B6 65.0(4) . . . . ?
B4 B9 B10 B11 -63.6(4) . . . . ?
B12 B9 B10 B11 38.3(3) . . . . ?
B5 B9 B10 B11 -99.7(3) . . . . ?
B8 B9 B10 B11 2.3(4) . . . . ?
B4 B9 B10 B12 -102.0(3) . . . . ?
B5 B9 B10 B12 -138.0(3) . . . . ?
B8 B9 B10 B12 -36.1(3) . . . . ?
B4 B9 B10 B5 36.1(3) . . . . ?
B12 B9 B10 B5 138.0(3) . . . . ?
B8 B9 B10 B5 102.0(3) . . . . ?
C1 B5 B10 B6 40.1(3) . . . . ?
B9 B5 B10 B6 137.9(3) . . . . ?
B4 B5 B10 B6 103.1(3) . . . . ?
C1 B5 B10 B11 2.7(4) . . . . ?
B6 B5 B10 B11 -37.4(3) . . . . ?
B9 B5 B10 B11 100.6(3) . . . . ?
B4 B5 B10 B11 65.7(4) . . . . ?
C1 B5 B10 B12 -60.5(3) . . . . ?
B6 B5 B10 B12 -100.6(3) . . . . ?
B9 B5 B10 B12 37.3(3) . . . . ?
B4 B5 B10 B12 2.4(4) . . . . ?
C1 B5 B10 B9 -97.8(3) . . . . ?
B6 B5 B10 B9 -137.9(3) . . . . ?
B4 B5 B10 B9 -34.9(2) . . . . ?
C1 C2 B11 B6 -38.0(3) . . . . ?
B7 C2 B11 B6 -143.2(3) . . . . ?
Co1 C2 B11 B6 -112.6(3) . . . . ?
C1 C2 B11 B10 2.6(4) . . . . ?
B7 C2 B11 B10 -102.7(3) . . . . ?
B6 C2 B11 B10 40.5(3) . . . . ?
Co1 C2 B11 B10 -72.1(4) . . . . ?
C1 C2 B11 B12 65.1(4) . . . . ?
B7 C2 B11 B12 -40.2(3) . . . . ?
B6 C2 B11 B12 103.0(3) . . . . ?
Co1 C2 B11 B12 -9.6(4) . . . . ?
C1 C2 B11 B7 105.2(3) . . . . ?
B6 C2 B11 B7 143.2(3) . . . . ?
Co1 C2 B11 B7 30.6(3) . . . . ?
C1 B6 B11 C2 34.4(2) . . . . ?
B5 B6 B11 C2 95.3(3) . . . . ?
B10 B6 B11 C2 133.8(3) . . . . ?
C2 B6 B11 B10 -133.8(3) . . . . ?
C1 B6 B11 B10 -99.4(3) . . . . ?
B5 B6 B11 B10 -38.5(3) . . . . ?
C2 B6 B11 B12 -96.2(3) . . . . ?
C1 B6 B11 B12 -61.8(3) . . . . ?
B5 B6 B11 B12 -0.9(4) . . . . ?
B10 B6 B11 B12 37.6(3) . . . . ?
C2 B6 B11 B7 -32.7(3) . . . . ?
C1 B6 B11 B7 1.7(4) . . . . ?
B5 B6 B11 B7 62.7(4) . . . . ?
B10 B6 B11 B7 101.1(3) . . . . ?
B6 B10 B11 C2 -40.4(3) . . . . ?
B12 B10 B11 C2 97.8(3) . . . . ?
B9 B10 B11 C2 59.6(4) . . . . ?
B5 B10 B11 C2 -3.2(4) . . . . ?
B12 B10 B11 B6 138.1(3) . . . . ?
B9 B10 B11 B6 100.0(3) . . . . ?
B5 B10 B11 B6 37.2(3) . . . . ?
B6 B10 B11 B12 -138.1(3) . . . . ?
B9 B10 B11 B12 -38.2(3) . . . . ?
B5 B10 B11 B12 -101.0(3) . . . . ?
B6 B10 B11 B7 -101.7(3) . . . . ?
B12 B10 B11 B7 36.4(3) . . . . ?
B9 B10 B11 B7 -1.7(4) . . . . ?
B5 B10 B11 B7 -64.5(4) . . . . ?
B12 B7 B11 C2 -133.7(3) . . . . ?
B8 B7 B11 C2 -96.6(3) . . . . ?
Co1 B7 B11 C2 -26.3(2) . . . . ?
C2 B7 B11 B6 33.2(3) . . . . ?
B12 B7 B11 B6 -100.5(3) . . . . ?
B8 B7 B11 B6 -63.4(4) . . . . ?
Co1 B7 B11 B6 6.9(4) . . . . ?
C2 B7 B11 B10 97.1(3) . . . . ?
B12 B7 B11 B10 -36.6(3) . . . . ?
B8 B7 B11 B10 0.5(4) . . . . ?
Co1 B7 B11 B10 70.8(4) . . . . ?
C2 B7 B11 B12 133.7(3) . . . . ?
B8 B7 B11 B12 37.1(3) . . . . ?
Co1 B7 B11 B12 107.4(3) . . . . ?
B4 B9 B12 B7 1.1(4) . . . . ?
B5 B9 B12 B7 -63.9(4) . . . . ?
B10 B9 B12 B7 -101.5(3) . . . . ?
B8 B9 B12 B7 38.4(3) . . . . ?
B4 B9 B12 B11 64.5(4) . . . . ?
B5 B9 B12 B11 -0.5(4) . . . . ?
B10 B9 B12 B11 -38.1(3) . . . . ?
B8 B9 B12 B11 101.8(3) . . . . ?
B4 B9 B12 B10 102.6(3) . . . . ?
B5 B9 B12 B10 37.6(3) . . . . ?
B8 B9 B12 B10 139.9(3) . . . . ?
B4 B9 B12 B8 -37.3(3) . . . . ?
B5 B9 B12 B8 -102.2(3) . . . . ?
B10 B9 B12 B8 -139.9(3) . . . . ?
C2 B7 B12 B9 60.5(4) . . . . ?
B8 B7 B12 B9 -38.6(3) . . . . ?
B11 B7 B12 B9 100.1(3) . . . . ?
Co1 B7 B12 B9 -6.1(4) . . . . ?
C2 B7 B12 B11 -39.5(3) . . . . ?
B8 B7 B12 B11 -138.6(3) . . . . ?
Co1 B7 B12 B11 -106.1(3) . . . . ?
C2 B7 B12 B10 -3.2(4) . . . . ?
B8 B7 B12 B10 -102.3(3) . . . . ?
B11 B7 B12 B10 36.3(3) . . . . ?
Co1 B7 B12 B10 -69.8(4) . . . . ?
C2 B7 B12 B8 99.1(3) . . . . ?
B11 B7 B12 B8 138.6(3) . . . . ?
Co1 B7 B12 B8 32.5(3) . . . . ?
C2 B11 B12 B9 -61.6(4) . . . . ?
B6 B11 B12 B9 0.8(4) . . . . ?
B10 B11 B12 B9 38.4(3) . . . . ?
B7 B11 B12 B9 -101.1(3) . . . . ?
C2 B11 B12 B7 39.4(3) . . . . ?
B6 B11 B12 B7 101.9(3) . . . . ?
B10 B11 B12 B7 139.4(3) . . . . ?
C2 B11 B12 B10 -100.0(3) . . . . ?
B6 B11 B12 B10 -37.5(3) . . . . ?
B7 B11 B12 B10 -139.4(3) . . . . ?
C2 B11 B12 B8 2.3(4) . . . . ?
B6 B11 B12 B8 64.7(4) . . . . ?
B10 B11 B12 B8 102.3(3) . . . . ?
B7 B11 B12 B8 -37.1(3) . . . . ?
B6 B10 B12 B9 -99.7(3) . . . . ?
B11 B10 B12 B9 -136.9(3) . . . . ?
B5 B10 B12 B9 -37.3(3) . . . . ?
B6 B10 B12 B7 0.7(4) . . . . ?
B11 B10 B12 B7 -36.5(3) . . . . ?
B9 B10 B12 B7 100.4(3) . . . . ?
B5 B10 B12 B7 63.1(4) . . . . ?
B6 B10 B12 B11 37.2(3) . . . . ?
B9 B10 B12 B11 136.9(3) . . . . ?
B5 B10 B12 B11 99.6(3) . . . . ?
B6 B10 B12 B8 -63.2(4) . . . . ?
B11 B10 B12 B8 -100.4(3) . . . . ?
B9 B10 B12 B8 36.5(3) . . . . ?
B5 B10 B12 B8 -0.8(4) . . . . ?
B7 B8 B12 B9 137.0(3) . . . . ?
B4 B8 B12 B9 35.2(2) . . . . ?
Co1 B8 B12 B9 104.3(3) . . . . ?
B9 B8 B12 B7 -137.0(3) . . . . ?
B4 B8 B12 B7 -101.8(3) . . . . ?
Co1 B8 B12 B7 -32.7(3) . . . . ?
B7 B8 B12 B11 37.1(3) . . . . ?
B9 B8 B12 B11 -99.9(3) . . . . ?
B4 B8 B12 B11 -64.6(3) . . . . ?
Co1 B8 B12 B11 4.5(4) . . . . ?
B7 B8 B12 B10 100.6(3) . . . . ?
B9 B8 B12 B10 -36.4(3) . . . . ?
B4 B8 B12 B10 -1.2(4) . . . . ?
Co1 B8 B12 B10 67.9(3) . . . . ?
B5' C1' C2' B11' -0.5(4) . . . . ?
B6' C1' C2' B11' 38.2(3) . . . . ?
B4' C1' C2' B11' -69.3(3) . . . . ?
Co1' C1' C2' B11' -120.9(2) . . . . ?
B5' C1' C2' B7' 68.6(3) . . . . ?
B6' C1' C2' B7' 107.3(3) . . . . ?
B4' C1' C2' B7' -0.2(3) . . . . ?
Co1' C1' C2' B7' -51.8(2) . . . . ?
B5' C1' C2' B6' -38.8(3) . . . . ?
B4' C1' C2' B6' -107.5(3) . . . . ?
Co1' C1' C2' B6' -159.2(2) . . . . ?
B5' C1' C2' Co1' 120.4(2) . . . . ?
B6' C1' C2' Co1' 159.2(2) . . . . ?
B4' C1' C2' Co1' 51.62(19) . . . . ?
C3' O1' B4' C1' -118.1(4) . . . . ?
Na1 O1' B4' C1' 35.9(4) . . . . ?
C3' O1' B4' B9' 22.0(5) . . . . ?
Na1 O1' B4' B9' 176.1(2) . . . . ?
C3' O1' B4' B5' -50.8(5) . . . . ?
Na1 O1' B4' B5' 103.3(3) . . . . ?
C3' O1' B4' B8' 99.3(4) . . . . ?
Na1 O1' B4' B8' -106.6(3) . . . . ?
C3' O1' B4' Co1' 172.4(3) . . . . ?
Na1 O1' B4' Co1' -33.5(4) . . . . ?
C2' C1' B4' O1' -149.4(3) . . . . ?
B5' C1' B4' O1' 107.2(3) . . . . ?
B6' C1' B4' O1' 142.7(3) . . . . ?
Co1' C1' B4' O1' -98.9(3) . . . . ?
C2' C1' B4' B9' 62.7(3) . . . . ?
B5' C1' B4' B9' -40.7(3) . . . . ?
B6' C1' B4' B9' -5.2(4) . . . . ?
Co1' C1' B4' B9' 113.3(2) . . . . ?
C2' C1' B4' B5' 103.4(3) . . . . ?
B6' C1' B4' B5' 35.4(3) . . . . ?
Co1' C1' B4' B5' 153.9(2) . . . . ?
C2' C1' B4' B8' 1.0(3) . . . . ?
B5' C1' B4' B8' -102.4(3) . . . . ?
B6' C1' B4' B8' -67.0(3) . . . . ?
Co1' C1' B4' B8' 51.53(18) . . . . ?
C2' C1' B4' Co1' -50.53(19) . . . . ?
B5' C1' B4' Co1' -153.9(2) . . . . ?
B6' C1' B4' Co1' -118.5(3) . . . . ?
C2' C1' B5' B6' 38.8(3) . . . . ?
B4' C1' B5' B6' 143.3(3) . . . . ?
Co1' C1' B5' B6' 113.4(3) . . . . ?
C2' C1' B5' B10' -2.4(3) . . . . ?
B6' C1' B5' B10' -41.2(3) . . . . ?
B4' C1' B5' B10' 102.1(3) . . . . ?
Co1' C1' B5' B10' 72.2(3) . . . . ?
C2' C1' B5' B9' -64.3(3) . . . . ?
B6' C1' B5' B9' -103.1(3) . . . . ?
B4' C1' B5' B9' 40.2(2) . . . . ?
Co1' C1' B5' B9' 10.2(4) . . . . ?
C2' C1' B5' B4' -104.5(3) . . . . ?
B6' C1' B5' B4' -143.3(3) . . . . ?
Co1' C1' B5' B4' -29.9(3) . . . . ?
O1' B4' B5' C1' -110.1(3) . . . . ?
B9' B4' B5' C1' 132.9(3) . . . . ?
B8' B4' B5' C1' 94.4(3) . . . . ?
Co1' B4' B5' C1' 25.3(2) . . . . ?
O1' B4' B5' B6' -143.3(3) . . . . ?
C1' B4' B5' B6' -33.2(2) . . . . ?
B9' B4' B5' B6' 99.7(3) . . . . ?
B8' B4' B5' B6' 61.2(3) . . . . ?
Co1' B4' B5' B6' -7.9(4) . . . . ?
O1' B4' B5' B10' 152.3(3) . . . . ?
C1' B4' B5' B10' -97.6(3) . . . . ?
B9' B4' B5' B10' 35.4(3) . . . . ?
B8' B4' B5' B10' -3.2(3) . . . . ?
Co1' B4' B5' B10' -72.2(3) . . . . ?
O1' B4' B5' B9' 117.0(4) . . . . ?
C1' B4' B5' B9' -132.9(3) . . . . ?
B8' B4' B5' B9' -38.6(3) . . . . ?
Co1' B4' B5' B9' -107.6(3) . . . . ?
B5' C1' B6' C2' 138.4(3) . . . . ?
B4' C1' B6' C2' 102.3(3) . . . . ?
Co1' C1' B6' C2' 23.0(2) . . . . ?
C2' C1' B6' B5' -138.4(3) . . . . ?
B4' C1' B6' B5' -36.1(3) . . . . ?
Co1' C1' B6' B5' -115.3(3) . . . . ?
C2' C1' B6' B11' -35.2(2) . . . . ?
B5' C1' B6' B11' 103.2(3) . . . . ?
B4' C1' B6' B11' 67.1(3) . . . . ?
Co1' C1' B6' B11' -12.2(4) . . . . ?
C2' C1' B6' B10' -97.3(3) . . . . ?
B5' C1' B6' B10' 41.1(3) . . . . ?
B4' C1' B6' B10' 5.0(4) . . . . ?
Co1' C1' B6' B10' -74.3(3) . . . . ?
B11' C2' B6' C1' -139.0(3) . . . . ?
B7' C2' B6' C1' -103.2(3) . . . . ?
Co1' C2' B6' C1' -22.9(2) . . . . ?
C1' C2' B6' B5' 35.9(2) . . . . ?
B11' C2' B6' B5' -103.2(3) . . . . ?
B7' C2' B6' B5' -67.3(3) . . . . ?
Co1' C2' B6' B5' 12.9(4) . . . . ?
C1' C2' B6' B11' 139.0(3) . . . . ?
B7' C2' B6' B11' 35.9(3) . . . . ?
Co1' C2' B6' B11' 116.1(3) . . . . ?
C1' C2' B6' B10' 98.6(3) . . . . ?
B11' C2' B6' B10' -40.5(2) . . . . ?
B7' C2' B6' B10' -4.6(4) . . . . ?
Co1' C2' B6' B10' 75.6(3) . . . . ?
B10' B5' B6' C1' 133.1(3) . . . . ?
B9' B5' B6' C1' 95.6(3) . . . . ?
B4' B5' B6' C1' 33.1(2) . . . . ?
C1' B5' B6' C2' -35.1(2) . . . . ?
B10' B5' B6' C2' 98.0(3) . . . . ?
B9' B5' B6' C2' 60.5(3) . . . . ?
B4' B5' B6' C2' -2.0(3) . . . . ?
C1' B5' B6' B11' -96.1(3) . . . . ?
B10' B5' B6' B11' 37.0(2) . . . . ?
B9' B5' B6' B11' -0.5(3) . . . . ?
B4' B5' B6' B11' -63.0(3) . . . . ?
C1' B5' B6' B10' -133.1(3) . . . . ?
B9' B5' B6' B10' -37.5(2) . . . . ?
B4' B5' B6' B10' -100.0(3) . . . . ?
C1' C2' B7' B12' -62.9(3) . . . . ?
B11' C2' B7' B12' 40.0(2) . . . . ?
B6' C2' B7' B12' 4.7(3) . . . . ?
Co1' C2' B7' B12' -113.4(2) . . . . ?
C1' C2' B7' B11' -102.9(3) . . . . ?
B6' C2' B7' B11' -35.3(3) . . . . ?
Co1' C2' B7' B11' -153.3(2) . . . . ?
C1' C2' B7' B8' -0.7(3) . . . . ?
B11' C2' B7' B8' 102.2(3) . . . . ?
B6' C2' B7' B8' 67.0(3) . . . . ?
Co1' C2' B7' B8' -51.14(19) . . . . ?
C1' C2' B7' Co1' 50.4(2) . . . . ?
B11' C2' B7' Co1' 153.3(2) . . . . ?
B6' C2' B7' Co1' 118.1(3) . . . . ?
C2' B7' B8' B12' -98.1(3) . . . . ?
B11' B7' B8' B12' -37.6(2) . . . . ?
Co1' B7' B8' B12' -148.0(2) . . . . ?
C2' B7' B8' B9' -60.5(3) . . . . ?
B12' B7' B8' B9' 37.7(3) . . . . ?
B11' B7' B8' B9' 0.1(3) . . . . ?
Co1' B7' B8' B9' -110.3(2) . . . . ?
C2' B7' B8' B4' 1.3(3) . . . . ?
B12' B7' B8' B4' 99.4(3) . . . . ?
B11' B7' B8' B4' 61.8(3) . . . . ?
Co1' B7' B8' B4' -48.6(2) . . . . ?
C2' B7' B8' Co1' 49.87(19) . . . . ?
B12' B7' B8' Co1' 148.0(2) . . . . ?
B11' B7' B8' Co1' 110.4(2) . . . . ?
O1' B4' B8' B12' -151.0(3) . . . . ?
C1' B4' B8' B12' 61.2(3) . . . . ?
B9' B4' B8' B12' -36.6(3) . . . . ?
B5' B4' B8' B12' 2.0(3) . . . . ?
Co1' B4' B8' B12' 111.4(2) . . . . ?
O1' B4' B8' B7' 146.4(3) . . . . ?
C1' B4' B8' B7' -1.4(3) . . . . ?
B9' B4' B8' B7' -99.2(3) . . . . ?
B5' B4' B8' B7' -60.6(3) . . . . ?
Co1' B4' B8' B7' 48.9(2) . . . . ?
O1' B4' B8' B9' -114.4(4) . . . . ?
C1' B4' B8' B9' 97.8(3) . . . . ?
B5' B4' B8' B9' 38.6(2) . . . . ?
Co1' B4' B8' B9' 148.0(2) . . . . ?
O1' B4' B8' Co1' 97.6(3) . . . . ?
C1' B4' B8' Co1' -50.26(17) . . . . ?
B9' B4' B8' Co1' -148.0(2) . . . . ?
B5' B4' B8' Co1' -109.4(2) . . . . ?
O1' B4' B9' B10' -142.5(4) . . . . ?
C1' B4' B9' B10' 3.3(4) . . . . ?
B5' B4' B9' B10' -35.8(3) . . . . ?
B8' B4' B9' B10' 100.7(3) . . . . ?
Co1' B4' B9' B10' 68.5(3) . . . . ?
O1' B4' B9' B5' -106.7(4) . . . . ?
C1' B4' B9' B5' 39.1(2) . . . . ?
B8' B4' B9' B5' 136.6(3) . . . . ?
Co1' B4' B9' B5' 104.4(3) . . . . ?
O1' B4' B9' B12' 153.7(3) . . . . ?
C1' B4' B9' B12' -60.5(3) . . . . ?
B5' B4' B9' B12' -99.7(3) . . . . ?
B8' B4' B9' B12' 36.9(3) . . . . ?
Co1' B4' B9' B12' 4.7(4) . . . . ?
O1' B4' B9' B8' 116.8(4) . . . . ?
C1' B4' B9' B8' -97.4(3) . . . . ?
B5' B4' B9' B8' -136.6(3) . . . . ?
Co1' B4' B9' B8' -32.2(2) . . . . ?
C1' B5' B9' B4' -40.4(2) . . . . ?
B6' B5' B9' B4' -102.6(3) . . . . ?
B10' B5' B9' B4' -140.4(3) . . . . ?
C1' B5' B9' B10' 100.0(3) . . . . ?
B6' B5' B9' B10' 37.9(2) . . . . ?
B4' B5' B9' B10' 140.4(3) . . . . ?
C1' B5' B9' B12' 62.5(3) . . . . ?
B6' B5' B9' B12' 0.3(3) . . . . ?
B10' B5' B9' B12' -37.5(2) . . . . ?
B4' B5' B9' B12' 102.9(3) . . . . ?
C1' B5' B9' B8' -0.7(3) . . . . ?
B6' B5' B9' B8' -62.8(3) . . . . ?
B10' B5' B9' B8' -100.7(3) . . . . ?
B4' B5' B9' B8' 39.8(3) . . . . ?
B12' B8' B9' B4' 139.0(3) . . . . ?
B7' B8' B9' B4' 101.7(3) . . . . ?
Co1' B8' B9' B4' 31.9(2) . . . . ?
B12' B8' B9' B10' 35.9(3) . . . . ?
B7' B8' B9' B10' -1.4(3) . . . . ?
B4' B8' B9' B10' -103.1(3) . . . . ?
Co1' B8' B9' B10' -71.2(3) . . . . ?
B12' B8' B9' B5' 99.4(3) . . . . ?
B7' B8' B9' B5' 62.2(3) . . . . ?
B4' B8' B9' B5' -39.6(3) . . . . ?
Co1' B8' B9' B5' -7.7(4) . . . . ?
B7' B8' B9' B12' -37.2(2) . . . . ?
B4' B8' B9' B12' -139.0(3) . . . . ?
Co1' B8' B9' B12' -107.1(3) . . . . ?
B4' B9' B10' B11' -63.4(4) . . . . ?
B5' B9' B10' B11' -99.7(3) . . . . ?
B12' B9' B10' B11' 38.0(3) . . . . ?
B8' B9' B10' B11' 2.1(4) . . . . ?
B4' B9' B10' B6' -0.6(4) . . . . ?
B5' B9' B10' B6' -36.9(3) . . . . ?
B12' B9' B10' B6' 100.8(3) . . . . ?
B8' B9' B10' B6' 65.0(3) . . . . ?
B4' B9' B10' B5' 36.4(3) . . . . ?
B12' B9' B10' B5' 137.7(3) . . . . ?
B8' B9' B10' B5' 101.9(3) . . . . ?
B4' B9' B10' B12' -101.4(3) . . . . ?
B5' B9' B10' B12' -137.7(3) . . . . ?
B8' B9' B10' B12' -35.8(2) . . . . ?
C1' B6' B10' B11' 98.6(3) . . . . ?
C2' B6' B10' B11' 39.7(2) . . . . ?
B5' B6' B10' B11' 138.7(3) . . . . ?
C1' B6' B10' B9' -2.5(4) . . . . ?
C2' B6' B10' B9' -61.4(3) . . . . ?
B5' B6' B10' B9' 37.6(3) . . . . ?
B11' B6' B10' B9' -101.1(3) . . . . ?
C1' B6' B10' B5' -40.1(2) . . . . ?
C2' B6' B10' B5' -99.1(3) . . . . ?
B11' B6' B10' B5' -138.7(3) . . . . ?
C1' B6' B10' B12' 61.4(3) . . . . ?
C2' B6' B10' B12' 2.4(3) . . . . ?
B5' B6' B10' B12' 101.5(3) . . . . ?
B11' B6' B10' B12' -37.2(2) . . . . ?
C1' B5' B10' B11' 4.3(3) . . . . ?
B6' B5' B10' B11' -36.5(3) . . . . ?
B9' B5' B10' B11' 101.5(3) . . . . ?
B4' B5' B10' B11' 66.5(3) . . . . ?
C1' B5' B10' B9' -97.2(3) . . . . ?
B6' B5' B10' B9' -137.9(3) . . . . ?
B4' B5' B10' B9' -35.0(3) . . . . ?
C1' B5' B10' B6' 40.8(2) . . . . ?
B9' B5' B10' B6' 137.9(3) . . . . ?
B4' B5' B10' B6' 103.0(3) . . . . ?
C1' B5' B10' B12' -59.0(3) . . . . ?
B6' B5' B10' B12' -99.8(3) . . . . ?
B9' B5' B10' B12' 38.2(3) . . . . ?
B4' B5' B10' B12' 3.2(4) . . . . ?
C1' C2' B11' B6' -37.9(3) . . . . ?
B7' C2' B11' B6' -143.7(3) . . . . ?
Co1' C2' B11' B6' -112.7(3) . . . . ?
C1' C2' B11' B10' 3.2(3) . . . . ?
B7' C2' B11' B10' -102.5(3) . . . . ?
B6' C2' B11' B10' 41.2(3) . . . . ?
Co1' C2' B11' B10' -71.6(3) . . . . ?
C1' C2' B11' B12' 65.9(3) . . . . ?
B7' C2' B11' B12' -39.9(3) . . . . ?
B6' C2' B11' B12' 103.8(3) . . . . ?
Co1' C2' B11' B12' -8.9(4) . . . . ?
C1' C2' B11' B7' 105.8(3) . . . . ?
B6' C2' B11' B7' 143.7(3) . . . . ?
Co1' C2' B11' B7' 31.0(3) . . . . ?
C1' B6' B11' C2' 34.6(2) . . . . ?
B5' B6' B11' C2' 96.0(3) . . . . ?
B10' B6' B11' C2' 133.3(3) . . . . ?
C1' B6' B11' B10' -98.7(3) . . . . ?
C2' B6' B11' B10' -133.3(3) . . . . ?
B5' B6' B11' B10' -37.3(2) . . . . ?
C1' B6' B11' B12' -60.9(3) . . . . ?
C2' B6' B11' B12' -95.5(3) . . . . ?
B5' B6' B11' B12' 0.4(3) . . . . ?
B10' B6' B11' B12' 37.7(2) . . . . ?
C1' B6' B11' B7' 2.4(4) . . . . ?
C2' B6' B11' B7' -32.2(2) . . . . ?
B5' B6' B11' B7' 63.7(3) . . . . ?
B10' B6' B11' B7' 101.0(3) . . . . ?
B9' B10' B11' C2' 59.1(3) . . . . ?
B6' B10' B11' C2' -40.8(2) . . . . ?
B5' B10' B11' C2' -4.6(3) . . . . ?
B12' B10' B11' C2' 97.4(3) . . . . ?
B9' B10' B11' B6' 99.9(3) . . . . ?
B5' B10' B11' B6' 36.2(2) . . . . ?
B12' B10' B11' B6' 138.2(3) . . . . ?
B9' B10' B11' B12' -38.3(2) . . . . ?
B6' B10' B11' B12' -138.2(3) . . . . ?
B5' B10' B11' B12' -102.0(3) . . . . ?
B9' B10' B11' B7' -2.1(4) . . . . ?
B6' B10' B11' B7' -102.0(3) . . . . ?
B5' B10' B11' B7' -65.8(3) . . . . ?
B12' B10' B11' B7' 36.2(2) . . . . ?
B12' B7' B11' C2' -133.8(3) . . . . ?
B8' B7' B11' C2' -96.0(3) . . . . ?
Co1' B7' B11' C2' -26.2(2) . . . . ?
C2' B7' B11' B6' 32.8(3) . . . . ?
B12' B7' B11' B6' -101.0(3) . . . . ?
B8' B7' B11' B6' -63.2(3) . . . . ?
Co1' B7' B11' B6' 6.6(4) . . . . ?
C2' B7' B11' B10' 97.2(3) . . . . ?
B12' B7' B11' B10' -36.5(3) . . . . ?
B8' B7' B11' B10' 1.3(3) . . . . ?
Co1' B7' B11' B10' 71.0(3) . . . . ?
C2' B7' B11' B12' 133.8(3) . . . . ?
B8' B7' B11' B12' 37.8(2) . . . . ?
Co1' B7' B11' B12' 107.6(3) . . . . ?
C2' B7' B12' B11' -39.2(2) . . . . ?
B8' B7' B12' B11' -137.7(3) . . . . ?
Co1' B7' B12' B11' -105.2(3) . . . . ?
C2' B7' B12' B10' -2.8(3) . . . . ?
B11' B7' B12' B10' 36.4(3) . . . . ?
B8' B7' B12' B10' -101.3(3) . . . . ?
Co1' B7' B12' B10' -68.8(3) . . . . ?
C2' B7' B12' B8' 98.5(3) . . . . ?
B11' B7' B12' B8' 137.7(3) . . . . ?
Co1' B7' B12' B8' 32.5(2) . . . . ?
C2' B7' B12' B9' 60.5(3) . . . . ?
B11' B7' B12' B9' 99.7(3) . . . . ?
B8' B7' B12' B9' -38.0(3) . . . . ?
Co1' B7' B12' B9' -5.5(4) . . . . ?
C2' B11' B12' B7' 39.3(2) . . . . ?
B6' B11' B12' B7' 101.7(3) . . . . ?
B10' B11' B12' B7' 139.5(3) . . . . ?
C2' B11' B12' B10' -100.2(3) . . . . ?
B6' B11' B12' B10' -37.8(2) . . . . ?
B7' B11' B12' B10' -139.5(3) . . . . ?
C2' B11' B12' B8' 1.0(4) . . . . ?
B6' B11' B12' B8' 63.4(3) . . . . ?
B10' B11' B12' B8' 101.2(3) . . . . ?
B7' B11' B12' B8' -38.3(3) . . . . ?
C2' B11' B12' B9' -62.6(3) . . . . ?
B6' B11' B12' B9' -0.2(3) . . . . ?
B10' B11' B12' B9' 37.6(2) . . . . ?
B7' B11' B12' B9' -101.9(3) . . . . ?
B11' B10' B12' B7' -36.8(3) . . . . ?
B9' B10' B12' B7' 100.6(3) . . . . ?
B6' B10' B12' B7' 0.2(4) . . . . ?
B5' B10' B12' B7' 62.5(3) . . . . ?
B9' B10' B12' B11' 137.5(3) . . . . ?
B6' B10' B12' B11' 37.1(2) . . . . ?
B5' B10' B12' B11' 99.3(3) . . . . ?
B11' B10' B12' B8' -101.3(3) . . . . ?
B9' B10' B12' B8' 36.2(3) . . . . ?
B6' B10' B12' B8' -64.2(3) . . . . ?
B5' B10' B12' B8' -2.0(4) . . . . ?
B11' B10' B12' B9' -137.5(3) . . . . ?
B6' B10' B12' B9' -100.4(3) . . . . ?
B5' B10' B12' B9' -38.1(3) . . . . ?
B9' B8' B12' B7' -137.7(3) . . . . ?
B4' B8' B12' B7' -101.8(3) . . . . ?
Co1' B8' B12' B7' -32.4(2) . . . . ?
B7' B8' B12' B11' 38.4(3) . . . . ?
B9' B8' B12' B11' -99.3(3) . . . . ?
B4' B8' B12' B11' -63.5(3) . . . . ?
Co1' B8' B12' B11' 6.0(4) . . . . ?
B7' B8' B12' B10' 101.8(3) . . . . ?
B9' B8' B12' B10' -35.9(3) . . . . ?
B4' B8' B12' B10' 0.0(4) . . . . ?
Co1' B8' B12' B10' 69.4(3) . . . . ?
B7' B8' B12' B9' 137.7(3) . . . . ?
B4' B8' B12' B9' 35.9(3) . . . . ?
Co1' B8' B12' B9' 105.3(3) . . . . ?
B4' B9' B12' B7' 0.5(4) . . . . ?
B10' B9' B12' B7' -101.8(3) . . . . ?
B5' B9' B12' B7' -64.2(3) . . . . ?
B8' B9' B12' B7' 38.2(3) . . . . ?
B4' B9' B12' B11' 64.6(3) . . . . ?
B10' B9' B12' B11' -37.6(2) . . . . ?
B5' B9' B12' B11' -0.1(3) . . . . ?
B8' B9' B12' B11' 102.3(3) . . . . ?
B4' B9' B12' B10' 102.2(3) . . . . ?
B5' B9' B12' B10' 37.5(2) . . . . ?
B8' B9' B12' B10' 139.9(3) . . . . ?
B4' B9' B12' B8' -37.7(3) . . . . ?
B10' B9' B12' B8' -139.9(3) . . . . ?
B5' B9' B12' B8' -102.4(3) . . . . ?
B5" C1" C2" B11" -0.7(3) . . . . ?
B6" C1" C2" B11" 38.3(2) . . . . ?
B4" C1" C2" B11" -69.4(3) . . . . ?
Co1" C1" C2" B11" -120.5(2) . . . . ?
B5" C1" C2" B7" 68.2(3) . . . . ?
B6" C1" C2" B7" 107.3(3) . . . . ?
B4" C1" C2" B7" -0.4(3) . . . . ?
Co1" C1" C2" B7" -51.6(2) . . . . ?
B5" C1" C2" B6" -39.0(2) . . . . ?
B4" C1" C2" B6" -107.7(3) . . . . ?
Co1" C1" C2" B6" -158.9(2) . . . . ?
B5" C1" C2" Co1" 119.8(2) . . . . ?
B6" C1" C2" Co1" 158.9(2) . . . . ?
B4" C1" C2" Co1" 51.2(2) . . . . ?
C3" O1" B4" C1" -122.4(3) . . . . ?
Na1 O1" B4" C1" 25.4(3) . . . . ?
C3" O1" B4" B9" 15.6(4) . . . . ?
Na1 O1" B4" B9" 163.4(2) . . . . ?
C3" O1" B4" B5" -55.9(4) . . . . ?
Na1 O1" B4" B5" 91.9(3) . . . . ?
C3" O1" B4" B8" 93.4(4) . . . . ?
Na1 O1" B4" B8" -118.8(3) . . . . ?
C3" O1" B4" Co1" 167.3(2) . . . . ?
Na1 O1" B4" Co1" -44.9(3) . . . . ?
C2" C1" B4" O1" -150.3(3) . . . . ?
B5" C1" B4" O1" 105.9(3) . . . . ?
B6" C1" B4" O1" 141.5(3) . . . . ?
Co1" C1" B4" O1" -99.7(3) . . . . ?
C2" C1" B4" B9" 63.6(3) . . . . ?
B5" C1" B4" B9" -40.2(2) . . . . ?
B6" C1" B4" B9" -4.6(3) . . . . ?
Co1" C1" B4" B9" 114.2(2) . . . . ?
C2" C1" B4" B5" 103.9(3) . . . . ?
B6" C1" B4" B5" 35.7(3) . . . . ?
Co1" C1" B4" B5" 154.4(2) . . . . ?
C2" C1" B4" B8" 1.6(3) . . . . ?
B5" C1" B4" B8" -102.2(3) . . . . ?
B6" C1" B4" B8" -66.6(3) . . . . ?
Co1" C1" B4" B8" 52.21(18) . . . . ?
C2" C1" B4" Co1" -50.6(2) . . . . ?
B5" C1" B4" Co1" -154.4(2) . . . . ?
B6" C1" B4" Co1" -118.8(2) . . . . ?
C2" C1" B5" B6" 39.1(2) . . . . ?
B4" C1" B5" B6" 143.2(3) . . . . ?
Co1" C1" B5" B6" 114.2(3) . . . . ?
C2" C1" B5" B10" -1.5(3) . . . . ?
B6" C1" B5" B10" -40.6(2) . . . . ?
B4" C1" B5" B10" 102.7(3) . . . . ?
Co1" C1" B5" B10" 73.7(3) . . . . ?
C2" C1" B5" B9" -64.1(3) . . . . ?
B6" C1" B5" B9" -103.2(3) . . . . ?
B4" C1" B5" B9" 40.1(2) . . . . ?
Co1" C1" B5" B9" 11.0(3) . . . . ?
C2" C1" B5" B4" -104.2(3) . . . . ?
B6" C1" B5" B4" -143.2(3) . . . . ?
Co1" C1" B5" B4" -29.0(2) . . . . ?
O1" B4" B5" C1" -109.6(3) . . . . ?
B9" B4" B5" C1" 133.3(3) . . . . ?
B8" B4" B5" C1" 95.1(3) . . . . ?
Co1" B4" B5" C1" 25.2(2) . . . . ?
O1" B4" B5" B6" -143.0(3) . . . . ?
C1" B4" B5" B6" -33.4(2) . . . . ?
B9" B4" B5" B6" 99.9(3) . . . . ?
B8" B4" B5" B6" 61.7(3) . . . . ?
Co1" B4" B5" B6" -8.2(3) . . . . ?
O1" B4" B5" B10" 152.9(3) . . . . ?
C1" B4" B5" B10" -97.5(3) . . . . ?
B9" B4" B5" B10" 35.8(2) . . . . ?
B8" B4" B5" B10" -2.4(3) . . . . ?
Co1" B4" B5" B10" -72.3(3) . . . . ?
O1" B4" B5" B9" 117.0(3) . . . . ?
C1" B4" B5" B9" -133.3(3) . . . . ?
B8" B4" B5" B9" -38.3(2) . . . . ?
Co1" B4" B5" B9" -108.1(2) . . . . ?
B5" C1" B6" C2" 138.4(3) . . . . ?
B4" C1" B6" C2" 102.2(3) . . . . ?
Co1" C1" B6" C2" 23.6(2) . . . . ?
C2" C1" B6" B5" -138.4(3) . . . . ?
B4" C1" B6" B5" -36.1(2) . . . . ?
Co1" C1" B6" B5" -114.8(3) . . . . ?
C2" C1" B6" B11" -35.0(2) . . . . ?
B5" C1" B6" B11" 103.4(3) . . . . ?
B4" C1" B6" B11" 67.2(3) . . . . ?
Co1" C1" B6" B11" -11.4(3) . . . . ?
C2" C1" B6" B10" -98.0(3) . . . . ?
B5" C1" B6" B10" 40.4(2) . . . . ?
B4" C1" B6" B10" 4.3(3) . . . . ?
Co1" C1" B6" B10" -74.4(3) . . . . ?
B11" C2" B6" C1" -139.1(3) . . . . ?
B7" C2" B6" C1" -102.7(3) . . . . ?
Co1" C2" B6" C1" -23.4(2) . . . . ?
C1" C2" B6" B5" 35.5(2) . . . . ?
B11" C2" B6" B5" -103.6(3) . . . . ?
B7" C2" B6" B5" -67.2(3) . . . . ?
Co1" C2" B6" B5" 12.1(3) . . . . ?
C1" C2" B6" B11" 139.1(3) . . . . ?
B7" C2" B6" B11" 36.4(3) . . . . ?
Co1" C2" B6" B11" 115.7(3) . . . . ?
C1" C2" B6" B10" 97.9(3) . . . . ?
B11" C2" B6" B10" -41.1(2) . . . . ?
B7" C2" B6" B10" -4.8(4) . . . . ?
Co1" C2" B6" B10" 74.6(3) . . . . ?
B10" B5" B6" C1" 133.8(3) . . . . ?
B9" B5" B6" C1" 96.1(3) . . . . ?
B4" B5" B6" C1" 33.3(2) . . . . ?
C1" B5" B6" C2" -34.8(2) . . . . ?
B10" B5" B6" C2" 99.0(3) . . . . ?
B9" B5" B6" C2" 61.4(3) . . . . ?
B4" B5" B6" C2" -1.5(3) . . . . ?
C1" B5" B6" B11" -95.3(3) . . . . ?
B10" B5" B6" B11" 38.5(2) . . . . ?
B9" B5" B6" B11" 0.8(3) . . . . ?
B4" B5" B6" B11" -62.0(3) . . . . ?
C1" B5" B6" B10" -133.8(3) . . . . ?
B9" B5" B6" B10" -37.6(2) . . . . ?
B4" B5" B6" B10" -100.5(3) . . . . ?
C1" C2" B7" B12" -63.1(3) . . . . ?
B11" C2" B7" B12" 40.3(2) . . . . ?
B6" C2" B7" B12" 4.5(3) . . . . ?
Co1" C2" B7" B12" -113.8(2) . . . . ?
C1" C2" B7" B8" -1.0(3) . . . . ?
B11" C2" B7" B8" 102.4(3) . . . . ?
B6" C2" B7" B8" 66.6(3) . . . . ?
Co1" C2" B7" B8" -51.64(19) . . . . ?
C1" C2" B7" B11" -103.4(3) . . . . ?
B6" C2" B7" B11" -35.8(3) . . . . ?
Co1" C2" B7" B11" -154.1(2) . . . . ?
C1" C2" B7" Co1" 50.7(2) . . . . ?
B11" C2" B7" Co1" 154.1(2) . . . . ?
B6" C2" B7" Co1" 118.3(3) . . . . ?
C2" B7" B8" B12" -97.7(3) . . . . ?
B11" B7" B8" B12" -37.3(2) . . . . ?
Co1" B7" B8" B12" -148.2(2) . . . . ?
C2" B7" B8" B9" -60.1(3) . . . . ?
B12" B7" B8" B9" 37.6(2) . . . . ?
B11" B7" B8" B9" 0.3(3) . . . . ?
Co1" B7" B8" B9" -110.6(2) . . . . ?
C2" B7" B8" B4" 2.0(3) . . . . ?
B12" B7" B8" B4" 99.7(3) . . . . ?
B11" B7" B8" B4" 62.4(3) . . . . ?
Co1" B7" B8" B4" -48.57(19) . . . . ?
C2" B7" B8" Co1" 50.55(19) . . . . ?
B12" B7" B8" Co1" 148.2(2) . . . . ?
B11" B7" B8" Co1" 111.0(2) . . . . ?
O1" B4" B8" B12" -150.7(3) . . . . ?
C1" B4" B8" B12" 60.6(3) . . . . ?
B9" B4" B8" B12" -37.0(2) . . . . ?
B5" B4" B8" B12" 1.2(3) . . . . ?
Co1" B4" B8" B12" 111.7(2) . . . . ?
O1" B4" B8" B7" 146.5(3) . . . . ?
C1" B4" B8" B7" -2.2(3) . . . . ?
B9" B4" B8" B7" -99.8(3) . . . . ?
B5" B4" B8" B7" -61.7(3) . . . . ?
Co1" B4" B8" B7" 48.92(19) . . . . ?
O1" B4" B8" B9" -113.8(4) . . . . ?
C1" B4" B8" B9" 97.6(2) . . . . ?
B5" B4" B8" B9" 38.1(2) . . . . ?
Co1" B4" B8" B9" 148.7(2) . . . . ?
O1" B4" B8" Co1" 97.5(3) . . . . ?
C1" B4" B8" Co1" -51.11(17) . . . . ?
B9" B4" B8" Co1" -148.7(2) . . . . ?
B5" B4" B8" Co1" -110.6(2) . . . . ?
O1" B4" B9" B5" -104.8(3) . . . . ?
C1" B4" B9" B5" 38.9(2) . . . . ?
B8" B4" B9" B5" 137.1(3) . . . . ?
Co1" B4" B9" B5" 105.1(2) . . . . ?
O1" B4" B9" B10" -140.7(3) . . . . ?
C1" B4" B9" B10" 3.0(3) . . . . ?
B5" B4" B9" B10" -35.9(2) . . . . ?
B8" B4" B9" B10" 101.2(3) . . . . ?
Co1" B4" B9" B10" 69.2(3) . . . . ?
O1" B4" B9" B8" 118.2(3) . . . . ?
C1" B4" B9" B8" -98.2(2) . . . . ?
B5" B4" B9" B8" -137.1(3) . . . . ?
Co1" B4" B9" B8" -31.9(2) . . . . ?
O1" B4" B9" B12" 155.3(3) . . . . ?
C1" B4" B9" B12" -61.0(3) . . . . ?
B5" B4" B9" B12" -99.9(3) . . . . ?
B8" B4" B9" B12" 37.1(2) . . . . ?
Co1" B4" B9" B12" 5.2(3) . . . . ?
C1" B5" B9" B4" -40.3(2) . . . . ?
B6" B5" B9" B4" -102.8(3) . . . . ?
B10" B5" B9" B4" -140.3(3) . . . . ?
C1" B5" B9" B10" 100.1(3) . . . . ?
B6" B5" B9" B10" 37.6(2) . . . . ?
B4" B5" B9" B10" 140.3(3) . . . . ?
C1" B5" B9" B8" -1.1(3) . . . . ?
B6" B5" B9" B8" -63.6(3) . . . . ?
B10" B5" B9" B8" -101.1(3) . . . . ?
B4" B5" B9" B8" 39.2(2) . . . . ?
C1" B5" B9" B12" 62.1(3) . . . . ?
B6" B5" B9" B12" -0.4(3) . . . . ?
B10" B5" B9" B12" -37.9(2) . . . . ?
B4" B5" B9" B12" 102.4(3) . . . . ?
B12" B8" B9" B4" 138.6(3) . . . . ?
B7" B8" B9" B4" 101.3(3) . . . . ?
Co1" B8" B9" B4" 31.3(2) . . . . ?
B12" B8" B9" B5" 99.5(3) . . . . ?
B7" B8" B9" B5" 62.2(3) . . . . ?
B4" B8" B9" B5" -39.1(2) . . . . ?
Co1" B8" B9" B5" -7.9(3) . . . . ?
B12" B8" B9" B10" 35.8(2) . . . . ?
B7" B8" B9" B10" -1.4(3) . . . . ?
B4" B8" B9" B10" -102.8(3) . . . . ?
Co1" B8" B9" B10" -71.5(3) . . . . ?
B7" B8" B9" B12" -37.3(2) . . . . ?
B4" B8" B9" B12" -138.6(3) . . . . ?
Co1" B8" B9" B12" -107.3(2) . . . . ?
C1" B6" B10" B5" -39.3(2) . . . . ?
C2" B6" B10" B5" -97.8(3) . . . . ?
B11" B6" B10" B5" -137.5(3) . . . . ?
C1" B6" B10" B9" -2.0(3) . . . . ?
C2" B6" B10" B9" -60.6(3) . . . . ?
B5" B6" B10" B9" 37.2(2) . . . . ?
B11" B6" B10" B9" -100.3(3) . . . . ?
C1" B6" B10" B12" 61.4(3) . . . . ?
C2" B6" B10" B12" 2.9(3) . . . . ?
B5" B6" B10" B12" 100.7(3) . . . . ?
B11" B6" B10" B12" -36.9(2) . . . . ?
C1" B6" B10" B11" 98.3(3) . . . . ?
C2" B6" B10" B11" 39.7(2) . . . . ?
B5" B6" B10" B11" 137.5(3) . . . . ?
C1" B5" B10" B6" 40.4(2) . . . . ?
B9" B5" B10" B6" 138.1(3) . . . . ?
B4" B5" B10" B6" 102.9(3) . . . . ?
C1" B5" B10" B9" -97.7(3) . . . . ?
B6" B5" B10" B9" -138.1(3) . . . . ?
B4" B5" B10" B9" -35.3(2) . . . . ?
C1" B5" B10" B12" -59.7(3) . . . . ?
B6" B5" B10" B12" -100.1(3) . . . . ?
B9" B5" B10" B12" 38.1(2) . . . . ?
B4" B5" B10" B12" 2.8(3) . . . . ?
C1" B5" B10" B11" 3.0(3) . . . . ?
B6" B5" B10" B11" -37.4(2) . . . . ?
B9" B5" B10" B11" 100.7(3) . . . . ?
B4" B5" B10" B11" 65.4(3) . . . . ?
B4" B9" B10" B6" -0.6(3) . . . . ?
B5" B9" B10" B6" -37.1(2) . . . . ?
B8" B9" B10" B6" 64.6(3) . . . . ?
B12" B9" B10" B6" 100.3(3) . . . . ?
B4" B9" B10" B5" 36.4(2) . . . . ?
B8" B9" B10" B5" 101.7(3) . . . . ?
B12" B9" B10" B5" 137.4(3) . . . . ?
B4" B9" B10" B12" -101.0(3) . . . . ?
B5" B9" B10" B12" -137.4(3) . . . . ?
B8" B9" B10" B12" -35.7(2) . . . . ?
B4" B9" B10" B11" -63.3(3) . . . . ?
B5" B9" B10" B11" -99.8(3) . . . . ?
B8" B9" B10" B11" 1.9(3) . . . . ?
B12" B9" B10" B11" 37.6(2) . . . . ?
C1" C2" B11" B6" -38.1(2) . . . . ?
B7" C2" B11" B6" -143.1(3) . . . . ?
Co1" C2" B11" B6" -113.2(3) . . . . ?
C1" C2" B11" B12" 64.8(3) . . . . ?
B7" C2" B11" B12" -40.1(2) . . . . ?
B6" C2" B11" B12" 102.9(3) . . . . ?
Co1" C2" B11" B12" -10.3(4) . . . . ?
C1" C2" B11" B10" 2.5(3) . . . . ?
B7" C2" B11" B10" -102.4(3) . . . . ?
B6" C2" B11" B10" 40.6(2) . . . . ?
Co1" C2" B11" B10" -72.6(3) . . . . ?
C1" C2" B11" B7" 105.0(3) . . . . ?
B6" C2" B11" B7" 143.1(3) . . . . ?
Co1" C2" B11" B7" 29.8(3) . . . . ?
C1" B6" B11" C2" 34.3(2) . . . . ?
B5" B6" B11" C2" 94.9(3) . . . . ?
B10" B6" B11" C2" 133.2(3) . . . . ?
C1" B6" B11" B12" -61.6(3) . . . . ?
C2" B6" B11" B12" -95.9(3) . . . . ?
B5" B6" B11" B12" -1.0(3) . . . . ?
B10" B6" B11" B12" 37.3(2) . . . . ?
C1" B6" B11" B10" -98.9(3) . . . . ?
C2" B6" B11" B10" -133.2(3) . . . . ?
B5" B6" B11" B10" -38.3(2) . . . . ?
C1" B6" B11" B7" 1.4(3) . . . . ?
C2" B6" B11" B7" -32.9(2) . . . . ?
B5" B6" B11" B7" 62.0(3) . . . . ?
B10" B6" B11" B7" 100.3(3) . . . . ?
B6" B10" B11" C2" -40.8(2) . . . . ?
B5" B10" B11" C2" -3.4(3) . . . . ?
B9" B10" B11" C2" 59.6(3) . . . . ?
B12" B10" B11" C2" 97.6(3) . . . . ?
B5" B10" B11" B6" 37.4(2) . . . . ?
B9" B10" B11" B6" 100.4(3) . . . . ?
B12" B10" B11" B6" 138.4(3) . . . . ?
B6" B10" B11" B12" -138.4(3) . . . . ?
B5" B10" B11" B12" -100.9(3) . . . . ?
B9" B10" B11" B12" -38.0(2) . . . . ?
B6" B10" B11" B7" -102.1(3) . . . . ?
B5" B10" B11" B7" -64.7(3) . . . . ?
B9" B10" B11" B7" -1.7(3) . . . . ?
B12" B10" B11" B7" 36.3(2) . . . . ?
B12" B7" B11" C2" -133.3(3) . . . . ?
B8" B7" B11" C2" -95.9(3) . . . . ?
Co1" B7" B11" C2" -25.7(2) . . . . ?
C2" B7" B11" B6" 33.4(2) . . . . ?
B12" B7" B11" B6" -99.9(3) . . . . ?
B8" B7" B11" B6" -62.5(3) . . . . ?
Co1" B7" B11" B6" 7.7(3) . . . . ?
C2" B7" B11" B12" 133.3(3) . . . . ?
B8" B7" B11" B12" 37.4(2) . . . . ?
Co1" B7" B11" B12" 107.6(3) . . . . ?
C2" B7" B11" B10" 96.8(3) . . . . ?
B12" B7" B11" B10" -36.6(2) . . . . ?
B8" B7" B11" B10" 0.8(3) . . . . ?
Co1" B7" B11" B10" 71.0(3) . . . . ?
C2" B7" B12" B11" -39.3(2) . . . . ?
B8" B7" B12" B11" -138.2(3) . . . . ?
Co1" B7" B12" B11" -105.8(3) . . . . ?
C2" B7" B12" B8" 98.8(2) . . . . ?
B11" B7" B12" B8" 138.2(3) . . . . ?
Co1" B7" B12" B8" 32.4(2) . . . . ?
C2" B7" B12" B10" -2.4(3) . . . . ?
B8" B7" B12" B10" -101.2(3) . . . . ?
B11" B7" B12" B10" 37.0(3) . . . . ?
Co1" B7" B12" B10" -68.8(3) . . . . ?
C2" B7" B12" B9" 61.2(3) . . . . ?
B8" B7" B12" B9" -37.7(2) . . . . ?
B11" B7" B12" B9" 100.5(3) . . . . ?
Co1" B7" B12" B9" -5.3(3) . . . . ?
C2" B11" B12" B7" 39.7(2) . . . . ?
B6" B11" B12" B7" 102.2(3) . . . . ?
B10" B11" B12" B7" 139.2(3) . . . . ?
C2" B11" B12" B8" 1.9(3) . . . . ?
B6" B11" B12" B8" 64.4(3) . . . . ?
B10" B11" B12" B8" 101.4(3) . . . . ?
B7" B11" B12" B8" -37.8(2) . . . . ?
C2" B11" B12" B10" -99.5(3) . . . . ?
B6" B11" B12" B10" -37.1(2) . . . . ?
B7" B11" B12" B10" -139.2(3) . . . . ?
C2" B11" B12" B9" -61.7(3) . . . . ?
B6" B11" B12" B9" 0.8(3) . . . . ?
B10" B11" B12" B9" 37.8(2) . . . . ?
B7" B11" B12" B9" -101.4(3) . . . . ?
B9" B8" B12" B7" -137.9(2) . . . . ?
B4" B8" B12" B7" -101.6(3) . . . . ?
Co1" B8" B12" B7" -32.2(2) . . . . ?
B7" B8" B12" B11" 38.0(2) . . . . ?
B9" B8" B12" B11" -99.9(3) . . . . ?
B4" B8" B12" B11" -63.6(3) . . . . ?
Co1" B8" B12" B11" 5.8(3) . . . . ?
B7" B8" B12" B10" 102.2(3) . . . . ?
B9" B8" B12" B10" -35.7(2) . . . . ?
B4" B8" B12" B10" 0.5(3) . . . . ?
Co1" B8" B12" B10" 70.0(3) . . . . ?
B7" B8" B12" B9" 137.9(2) . . . . ?
B4" B8" B12" B9" 36.3(2) . . . . ?
Co1" B8" B12" B9" 105.7(2) . . . . ?
B6" B10" B12" B7" -0.4(3) . . . . ?
B5" B10" B12" B7" 62.3(3) . . . . ?
B9" B10" B12" B7" 100.3(3) . . . . ?
B11" B10" B12" B7" -37.2(2) . . . . ?
B6" B10" B12" B11" 36.9(2) . . . . ?
B5" B10" B12" B11" 99.5(3) . . . . ?
B9" B10" B12" B11" 137.5(3) . . . . ?
B6" B10" B12" B8" -64.7(3) . . . . ?
B5" B10" B12" B8" -2.1(3) . . . . ?
B9" B10" B12" B8" 35.9(2) . . . . ?
B11" B10" B12" B8" -101.6(3) . . . . ?
B6" B10" B12" B9" -100.6(3) . . . . ?
B5" B10" B12" B9" -37.9(2) . . . . ?
B11" B10" B12" B9" -137.5(3) . . . . ?
B4" B9" B12" B7" 0.1(3) . . . . ?
B5" B9" B12" B7" -64.5(3) . . . . ?
B10" B9" B12" B7" -102.4(3) . . . . ?
B8" B9" B12" B7" 37.9(2) . . . . ?
B4" B9" B12" B11" 64.4(3) . . . . ?
B5" B9" B12" B11" -0.2(3) . . . . ?
B10" B9" B12" B11" -38.1(2) . . . . ?
B8" B9" B12" B11" 102.2(3) . . . . ?
B4" B9" B12" B8" -37.8(2) . . . . ?
B5" B9" B12" B8" -102.4(3) . . . . ?
B10" B9" B12" B8" -140.2(3) . . . . ?
B4" B9" B12" B10" 102.5(3) . . . . ?
B5" B9" B12" B10" 37.8(2) . . . . ?
B8" B9" B12" B10" 140.2(3) . . . . ?

_refine_diff_density_max         0.826
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.093

_shelxl_version_number           2014/6



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_si18f
_database_code_depnum_ccdc_archive 'CCDC 2042190'
loop_
_audit_author_name
_audit_author_address
'Kyrill Yu.  Suponitsky'
;A N Nesmeyanov Institute of Organoelement Compounds, Moscow, Russia
Russia
;
_audit_update_record             
;
2020-11-03 deposited with the CCDC.	2021-01-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C4 H20 B18 Co I2 -, Cs +'
_chemical_formula_sum            'C4 H20 B18 Co Cs I2'
_chemical_formula_weight         708.42

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7703(6)
_cell_length_b                   10.6041(6)
_cell_length_c                   12.3092(7)
_cell_angle_alpha                71.4450(10)
_cell_angle_beta                 85.9350(10)
_cell_angle_gamma                73.4260(10)
_cell_volume                     1039.92(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9925
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      30.18

_exptl_crystal_description       prizm
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.262
_exptl_crystal_F_000             644
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    5.506
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.321
_exptl_absorpt_correction_T_max  0.463
_exptl_absorpt_process_details   'SADABS-2014/5 (Bruker,2014/5)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22394
_diffrn_reflns_av_unetI/netI     0.0129
_diffrn_reflns_av_R_equivalents  0.0147
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.746
_diffrn_reflns_theta_max         29.997
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6058
_reflns_number_gt                5808
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_publication_material  
'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0112P)²+0.7398P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6058
_refine_ls_number_parameters     325
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0153
_refine_ls_R_factor_gt           0.0141
_refine_ls_wR_factor_ref         0.0323
_refine_ls_wR_factor_gt          0.0319
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_restrained_S_all      1.129
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 1.03100(2) 0.11411(2) 0.10232(2) 0.01519(3) Uani 1 1 d . . . . .
I2 I 0.82184(2) 0.12606(2) 0.57122(2) 0.01634(3) Uani 1 1 d . . . . .
Cs1 Cs 0.24538(14) 0.69741(13) 0.20065(12) 0.01945(13) Uani 0.866(16) 1 d . . P
A 1
Cs1A Cs 0.224(2) 0.7022(9) 0.1950(9) 0.0275(11) Uani 0.134(16) 1 d . . P A 2
Co1 Co 0.71699(2) 0.28906(2) 0.26318(2) 0.00964(4) Uani 1 1 d . . . . .
C1 C 0.74580(18) 0.07963(15) 0.30813(13) 0.0126(3) Uani 1 1 d . . . . .
C2 C 0.57407(18) 0.16737(16) 0.33947(13) 0.0135(3) Uani 1 1 d . . . . .
B4 B 0.7875(2) 0.14538(18) 0.16903(14) 0.0130(3) Uani 1 1 d . . . . .
B5 B 0.7252(2) -0.01003(19) 0.21921(15) 0.0156(3) Uani 1 1 d . . . . .
B6 B 0.5905(2) 0.00467(19) 0.33094(16) 0.0159(3) Uani 1 1 d . . . . .
B7 B 0.4849(2) 0.30294(18) 0.22274(16) 0.0149(3) Uani 1 1 d . . . . .
B8 B 0.6208(2) 0.28846(19) 0.10799(15) 0.0145(3) Uani 1 1 d . . . . .
B9 B 0.6401(2) 0.12175(19) 0.09177(15) 0.0163(3) Uani 1 1 d . . . . .
B10 B 0.5162(2) 0.0370(2) 0.19162(16) 0.0178(3) Uani 1 1 d . . . . .
B11 B 0.4229(2) 0.14727(19) 0.27399(16) 0.0171(3) Uani 1 1 d . . . . .
B12 B 0.4523(2) 0.2201(2) 0.12511(16) 0.0179(3) Uani 1 1 d . . . . .
C1' C 0.93547(18) 0.29881(15) 0.30450(13) 0.0120(3) Uani 1 1 d . . . . .
C2' C 0.85338(18) 0.41589(16) 0.18507(13) 0.0132(3) Uani 1 1 d . . . . .
B4' B 0.8081(2) 0.30134(18) 0.41364(14) 0.0124(3) Uani 1 1 d . . . . .
B5' B 0.9719(2) 0.37490(19) 0.39918(15) 0.0153(3) Uani 1 1 d . . . . .
B6' B 1.0005(2) 0.44507(19) 0.25104(16) 0.0152(3) Uani 1 1 d . . . . .
B7' B 0.6639(2) 0.50475(18) 0.20586(15) 0.0137(3) Uani 1 1 d . . . . .
B8' B 0.6322(2) 0.43467(18) 0.35642(15) 0.0141(3) Uani 1 1 d . . . . .
B9' B 0.7797(2) 0.46535(19) 0.43197(16) 0.0156(3) Uani 1 1 d . . . . .
B10' B 0.8969(2) 0.55552(19) 0.33007(16) 0.0164(3) Uani 1 1 d . . . . .
B11' B 0.8272(2) 0.57853(19) 0.19139(16) 0.0158(3) Uani 1 1 d . . . . .
B12' B 0.6889(2) 0.59254(19) 0.30254(16) 0.0157(3) Uani 1 1 d . . . . .
H1 H 0.821(2) 0.036(2) 0.3643(17) 0.009(4) Uiso 1 1 d . . . . .
H2 H 0.561(2) 0.166(2) 0.4178(18) 0.016(5) Uiso 1 1 d . . . . .
H5 H 0.811(3) -0.105(2) 0.2247(18) 0.021(5) Uiso 1 1 d . . . . .
H6 H 0.593(3) -0.078(2) 0.4113(19) 0.022(5) Uiso 1 1 d . . . . .
H7 H 0.395(2) 0.393(2) 0.2326(17) 0.015(5) Uiso 1 1 d . . . . .
H8 H 0.630(3) 0.370(2) 0.0348(19) 0.025(6) Uiso 1 1 d . . . . .
H9 H 0.667(3) 0.101(2) 0.013(2) 0.027(6) Uiso 1 1 d . . . . .
H10 H 0.463(3) -0.031(2) 0.175(2) 0.027(6) Uiso 1 1 d . . . . .
H11 H 0.313(2) 0.152(2) 0.3191(18) 0.017(5) Uiso 1 1 d . . . . .
H12 H 0.354(3) 0.268(2) 0.0671(18) 0.020(5) Uiso 1 1 d . . . . .
H1' H 1.014(2) 0.218(2) 0.2976(16) 0.010(4) Uiso 1 1 d . . . . .
H2' H 0.886(3) 0.399(2) 0.1129(19) 0.023(6) Uiso 1 1 d . . . . .
H5' H 1.069(3) 0.322(2) 0.4536(18) 0.020(5) Uiso 1 1 d . . . . .
H6' H 1.113(3) 0.436(2) 0.2143(19) 0.024(6) Uiso 1 1 d . . . . .
H7' H 0.580(2) 0.555(2) 0.1355(17) 0.015(5) Uiso 1 1 d . . . . .
H8' H 0.519(2) 0.434(2) 0.3958(18) 0.018(5) Uiso 1 1 d . . . . .
H9' H 0.754(3) 0.482(2) 0.5162(19) 0.023(6) Uiso 1 1 d . . . . .
H10' H 0.943(3) 0.632(2) 0.347(2) 0.030(6) Uiso 1 1 d . . . . .
H11' H 0.833(3) 0.658(2) 0.1140(19) 0.025(6) Uiso 1 1 d . . . . .
H12' H 0.604(2) 0.691(2) 0.3003(17) 0.017(5) 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
I1 B4 2.2054(18) . ?
I1 Cs1A 4.017(10) 1_645 ?
I1 Cs1A 4.043(16) 2_665 ?
I1 Cs1 4.0871(12) 1_645 ?
I1 Cs1 4.1895(13) 2_665 ?
I2 B4' 2.2005(17) . ?
I2 Cs1 3.7706(15) 2_666 ?
I2 Cs1A 3.810(11) 2_666 ?
Cs1 B7' 3.650(2) . ?
Cs1 B9 3.720(2) 2_665 ?
Cs1 B6' 3.767(2) 1_455 ?
Cs1 I2 3.7707(15) 2_666 ?
Cs1 B10' 3.814(2) 1_455 ?
Cs1 B8 3.865(2) 2_665 ?
Cs1 B8' 3.883(2) . ?
Cs1 B12' 3.909(2) . ?
Cs1 I1 4.0871(12) 1_465 ?
Cs1 I1 4.1895(13) 2_665 ?
Cs1 H7 3.03(2) . ?
Cs1 H7' 3.08(2) . ?
Cs1 H12' 3.43(2) . ?
Cs1A B6' 3.665(13) 1_455 ?
Cs1A B10' 3.696(14) 1_455 ?
Cs1A B9 3.720(8) 2_665 ?
Cs1A I2 3.809(11) 2_666 ?
Cs1A B7' 3.814(18) . ?
Cs1A B8 3.858(9) 2_665 ?
Cs1A I1 4.017(10) 1_465 ?
Cs1A I1 4.043(16) 2_665 ?
Cs1A H7 3.09(2) . ?
Cs1A H7' 3.22(3) . ?
Co1 C2' 2.0239(15) . ?
Co1 C2 2.0255(15) . ?
Co1 C1 2.0542(15) . ?
Co1 C1' 2.0557(15) . ?
Co1 B7 2.0832(17) . ?
Co1 B7' 2.0876(17) . ?
Co1 B4' 2.1232(17) . ?
Co1 B4 2.1288(18) . ?
Co1 B8 2.1451(17) . ?
Co1 B8' 2.1462(18) . ?
C1 C2 1.622(2) . ?
C1 B4 1.688(2) . ?
C1 B5 1.710(2) . ?
C1 B6 1.728(2) . ?
C1 H1 0.90(2) . ?
C2 B11 1.695(2) . ?
C2 B7 1.717(2) . ?
C2 B6 1.726(2) . ?
C2 H2 0.96(2) . ?
B4 B9 1.775(2) . ?
B4 B8 1.781(3) . ?
B4 B5 1.793(2) . ?
B5 B6 1.764(3) . ?
B5 B9 1.774(3) . ?
B5 B10 1.784(3) . ?
B5 H5 1.06(2) . ?
B6 B10 1.772(3) . ?
B6 B11 1.772(3) . ?
B6 H6 1.09(2) . ?
B7 B12 1.778(3) . ?
B7 B11 1.794(3) . ?
B7 B8 1.798(3) . ?
B7 H7 1.08(2) . ?
B8 B12 1.795(3) . ?
B8 B9 1.801(3) . ?
B8 Cs1A 3.858(9) 2_665 ?
B8 Cs1 3.865(2) 2_665 ?
B8 H8 1.05(2) . ?
B9 B12 1.779(3) . ?
B9 B10 1.779(3) . ?
B9 Cs1A 3.720(8) 2_665 ?
B9 Cs1 3.720(2) 2_665 ?
B9 H9 1.06(2) . ?
B10 B11 1.776(3) . ?
B10 B12 1.785(3) . ?
B10 H10 1.03(2) . ?
B11 B12 1.780(3) . ?
B11 H11 1.08(2) . ?
B12 H12 1.06(2) . ?
C1' C2' 1.643(2) . ?
C1' B4' 1.687(2) . ?
C1' B5' 1.706(2) . ?
C1' B6' 1.722(2) . ?
C1' H1' 0.96(2) . ?
C2' B11' 1.700(2) . ?
C2' B7' 1.707(2) . ?
C2' B6' 1.719(2) . ?
C2' H2' 0.97(2) . ?
B4' B9' 1.770(3) . ?
B4' B8' 1.775(2) . ?
B4' B5' 1.794(3) . ?
B5' B6' 1.766(3) . ?
B5' B10' 1.774(3) . ?
B5' B9' 1.775(3) . ?
B5' H5' 1.03(2) . ?
B6' B11' 1.767(3) . ?
B6' B10' 1.771(3) . ?
B6' Cs1A 3.665(13) 1_655 ?
B6' Cs1 3.767(2) 1_655 ?
B6' H6' 1.05(2) . ?
B7' B12' 1.786(3) . ?
B7' B11' 1.791(3) . ?
B7' B8' 1.798(3) . ?
B7' H7' 1.07(2) . ?
B8' B12' 1.792(3) . ?
B8' B9' 1.803(3) . ?
B8' H8' 1.07(2) . ?
B9' B10' 1.777(3) . ?
B9' B12' 1.786(3) . ?
B9' H9' 1.10(2) . ?
B10' B11' 1.774(3) . ?
B10' B12' 1.786(3) . ?
B10' Cs1A 3.696(14) 1_655 ?
B10' Cs1 3.814(2) 1_655 ?
B10' H10' 1.08(2) . ?
B11' B12' 1.776(3) . ?
B11' H11' 1.06(2) . ?
B12' H12' 1.09(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B4 I1 Cs1A 105.8(2) . 1_645 ?
B4 I1 Cs1A 79.8(2) . 2_665 ?
Cs1A I1 Cs1A 117.8(2) 1_645 2_665 ?
B4 I1 Cs1 107.54(5) . 1_645 ?
B4 I1 Cs1 78.25(5) . 2_665 ?
Cs1 I1 Cs1 119.634(16) 1_645 2_665 ?
B4' I2 Cs1 101.90(5) . 2_666 ?
B4' I2 Cs1A 102.51(13) . 2_666 ?
B7' Cs1 B9 79.78(5) . 2_665 ?
B7' Cs1 B6' 107.93(5) . 1_455 ?
B9 Cs1 B6' 122.01(6) 2_665 1_455 ?
B7' Cs1 I2 109.36(5) . 2_666 ?
B9 Cs1 I2 119.83(5) 2_665 2_666 ?
B6' Cs1 I2 111.36(4) 1_455 2_666 ?
B7' Cs1 B10' 127.64(5) . 1_455 ?
B9 Cs1 B10' 135.99(6) 2_665 1_455 ?
B6' Cs1 B10' 27.01(4) 1_455 1_455 ?
I2 Cs1 B10' 85.98(4) 2_666 1_455 ?
B7' Cs1 B8 70.45(4) . 2_665 ?
B9 Cs1 B8 27.38(4) 2_665 2_665 ?
B6' Cs1 B8 99.38(5) 1_455 2_665 ?
I2 Cs1 B8 146.94(5) 2_666 2_665 ?
B10' Cs1 B8 121.26(5) 1_455 2_665 ?
B7' Cs1 B8' 27.39(4) . . ?
B9 Cs1 B8' 106.69(5) 2_665 . ?
B6' Cs1 B8' 97.26(5) 1_455 . ?
I2 Cs1 B8' 91.19(4) 2_666 . ?
B10' Cs1 B8' 107.73(5) 1_455 . ?
B8 Cs1 B8' 96.90(5) 2_665 . ?
B7' Cs1 B12' 27.05(4) . . ?
B9 Cs1 B12' 89.19(5) 2_665 . ?
B6' Cs1 B12' 123.83(5) 1_455 . ?
I2 Cs1 B12' 82.65(4) 2_666 . ?
B10' Cs1 B12' 131.68(5) 1_455 . ?
B8 Cs1 B12' 90.41(5) 2_665 . ?
B8' Cs1 B12' 26.60(4) . . ?
B7' Cs1 I1 130.71(5) . 1_465 ?
B9 Cs1 I1 67.68(4) 2_665 1_465 ?
B6' Cs1 I1 120.46(4) 1_455 1_465 ?
I2 Cs1 I1 62.41(2) 2_666 1_465 ?
B10' Cs1 I1 101.12(4) 1_455 1_465 ?
B8 Cs1 I1 91.97(4) 2_665 1_465 ?
B8' Cs1 I1 139.22(5) . 1_465 ?
B12' Cs1 I1 114.22(4) . 1_465 ?
B7' Cs1 I1 122.56(5) . 2_665 ?
B9 Cs1 I1 50.77(3) 2_665 2_665 ?
B6' Cs1 I1 81.98(4) 1_455 2_665 ?
I2 Cs1 I1 119.15(3) 2_666 2_665 ?
B10' Cs1 I1 86.09(4) 1_455 2_665 ?
B8 Cs1 I1 52.15(3) 2_665 2_665 ?
B8' Cs1 I1 147.91(5) . 2_665 ?
B12' Cs1 I1 139.59(4) . 2_665 ?
I1 Cs1 I1 60.366(16) 1_465 2_665 ?
B7' Cs1 H7 50.1(4) . . ?
B9 Cs1 H7 104.7(4) 2_665 . ?
B6' Cs1 H7 57.8(4) 1_455 . ?
I2 Cs1 H7 127.1(4) 2_666 . ?
B10' Cs1 H7 80.2(4) 1_455 . ?
B8 Cs1 H7 79.4(4) 2_665 . ?
B8' Cs1 H7 47.1(4) . . ?
B12' Cs1 H7 70.3(4) . . ?
I1 Cs1 H7 170.5(4) 1_465 . ?
I1 Cs1 H7 110.6(4) 2_665 . ?
B7' Cs1 H7' 15.5(4) . . ?
B9 Cs1 H7' 66.6(4) 2_665 . ?
B6' Cs1 H7' 107.3(4) 1_455 . ?
I2 Cs1 H7' 122.3(4) 2_666 . ?
B10' Cs1 H7' 131.7(4) 1_455 . ?
B8 Cs1 H7' 55.0(4) 2_665 . ?
B8' Cs1 H7' 42.3(4) . . ?
B12' Cs1 H7' 40.0(4) . . ?
I1 Cs1 H7' 126.1(4) 1_465 . ?
I1 Cs1 H7' 107.1(4) 2_665 . ?
H7 Cs1 H7' 51.5(5) . . ?
B7' Cs1 H12' 41.4(4) . . ?
B9 Cs1 H12' 88.1(3) 2_665 . ?
B6' Cs1 H12' 135.8(3) 1_455 . ?
I2 Cs1 H12' 70.2(3) 2_666 . ?
B10' Cs1 H12' 135.7(3) 1_455 . ?
B8 Cs1 H12' 96.4(3) 2_665 . ?
B8' Cs1 H12' 39.7(3) . . ?
B12' Cs1 H12' 15.3(3) . . ?
I1 Cs1 H12' 99.8(3) 1_465 . ?
I1 Cs1 H12' 138.0(3) 2_665 . ?
H7 Cs1 H12' 85.3(5) . . ?
H7' Cs1 H12' 52.3(5) . . ?
B6' Cs1A B10' 27.84(11) 1_455 1_455 ?
B6' Cs1A B9 124.9(4) 1_455 2_665 ?
B10' Cs1A B9 140.8(5) 1_455 2_665 ?
B6' Cs1A I2 112.8(2) 1_455 2_666 ?
B10' Cs1A I2 87.1(2) 1_455 2_666 ?
B9 Cs1A I2 118.8(3) 2_665 2_666 ?
B6' Cs1A B7' 106.6(2) 1_455 . ?
B10' Cs1A B7' 126.3(2) 1_455 . ?
B9 Cs1A B7' 77.7(3) 2_665 . ?
I2 Cs1A B7' 105.2(5) 2_666 . ?
B6' Cs1A B8 101.3(3) 1_455 2_665 ?
B10' Cs1A B8 124.7(4) 1_455 2_665 ?
B9 Cs1A B8 27.42(7) 2_665 2_665 ?
I2 Cs1A B8 145.4(3) 2_666 2_665 ?
B7' Cs1A B8 68.9(2) . 2_665 ?
B6' Cs1A I1 125.1(5) 1_455 1_465 ?
B10' Cs1A I1 104.6(4) 1_455 1_465 ?
B9 Cs1A I1 68.45(14) 2_665 1_465 ?
I2 Cs1A I1 62.77(14) 2_666 1_465 ?
B7' Cs1A I1 127.9(4) . 1_465 ?
B8 Cs1A I1 93.15(19) 2_665 1_465 ?
B6' Cs1A I1 85.3(4) 1_455 2_665 ?
B10' Cs1A I1 89.8(4) 1_455 2_665 ?
B9 Cs1A I1 52.03(16) 2_665 2_665 ?
I2 Cs1A I1 122.0(3) 2_666 2_665 ?
B7' Cs1A I1 122.2(2) . 2_665 ?
B8 Cs1A I1 53.38(16) 2_665 2_665 ?
I1 Cs1A I1 62.2(2) 1_465 2_665 ?
B6' Cs1A H7 58.7(4) 1_455 . ?
B10' Cs1A H7 81.4(4) 1_455 . ?
B9 Cs1A H7 103.4(5) 2_665 . ?
I2 Cs1A H7 123.7(6) 2_666 . ?
B7' Cs1A H7 48.0(4) . . ?
B8 Cs1A H7 78.8(4) 2_665 . ?
I1 Cs1A H7 171.9(5) 1_465 . ?
I1 Cs1A H7 112.9(5) 2_665 . ?
B6' Cs1A H7' 106.7(4) 1_455 . ?
B10' Cs1A H7' 131.1(4) 1_455 . ?
B9 Cs1A H7' 65.3(4) 2_665 . ?
I2 Cs1A H7' 117.3(7) 2_666 . ?
B7' Cs1A H7' 14.5(4) . . ?
B8 Cs1A H7' 54.3(4) 2_665 . ?
I1 Cs1A H7' 124.1(5) 1_465 . ?
I1 Cs1A H7' 107.7(4) 2_665 . ?
H7 Cs1A H7' 49.7(6) . . ?
C2' Co1 C2 178.13(6) . . ?
C2' Co1 C1 134.84(6) . . ?
C2 Co1 C1 46.83(6) . . ?
C2' Co1 C1' 47.49(6) . . ?
C2 Co1 C1' 134.06(6) . . ?
C1 Co1 C1' 102.69(6) . . ?
C2' Co1 B7 128.95(6) . . ?
C2 Co1 B7 49.36(7) . . ?
C1 Co1 B7 83.66(7) . . ?
C1' Co1 B7 173.16(7) . . ?
C2' Co1 B7' 49.04(7) . . ?
C2 Co1 B7' 129.19(7) . . ?
C1 Co1 B7' 173.12(6) . . ?
C1' Co1 B7' 83.89(6) . . ?
B7 Co1 B7' 89.86(7) . . ?
C2' Co1 B4' 82.56(6) . . ?
C2 Co1 B4' 98.07(6) . . ?
C1 Co1 B4' 100.31(6) . . ?
C1' Co1 B4' 47.59(6) . . ?
B7 Co1 B4' 129.29(7) . . ?
B7' Co1 B4' 85.59(7) . . ?
C2' Co1 B4 98.64(6) . . ?
C2 Co1 B4 82.22(6) . . ?
C1 Co1 B4 47.56(6) . . ?
C1' Co1 B4 100.48(6) . . ?
B7 Co1 B4 85.65(7) . . ?
B7' Co1 B4 129.78(7) . . ?
B4' Co1 B4 133.39(7) . . ?
C2' Co1 B8 95.65(6) . . ?
C2 Co1 B8 83.64(6) . . ?
C1 Co1 B8 82.70(6) . . ?
C1' Co1 B8 132.37(6) . . ?
B7 Co1 B8 50.31(7) . . ?
B7' Co1 B8 91.37(7) . . ?
B4' Co1 B8 176.95(7) . . ?
B4 Co1 B8 49.24(7) . . ?
C2' Co1 B8' 83.50(7) . . ?
C2 Co1 B8' 95.57(7) . . ?
C1 Co1 B8' 131.95(6) . . ?
C1' Co1 B8' 82.75(6) . . ?
B7 Co1 B8' 91.12(7) . . ?
B7' Co1 B8' 50.24(7) . . ?
B4' Co1 B8' 49.14(7) . . ?
B4 Co1 B8' 176.77(7) . . ?
B8 Co1 B8' 128.31(7) . . ?
C2 C1 B4 111.30(12) . . ?
C2 C1 B5 111.20(12) . . ?
B4 C1 B5 63.70(10) . . ?
C2 C1 B6 61.94(10) . . ?
B4 C1 B6 114.71(12) . . ?
B5 C1 B6 61.74(10) . . ?
C2 C1 Co1 65.65(8) . . ?
B4 C1 Co1 68.54(8) . . ?
B5 C1 Co1 126.43(10) . . ?
B6 C1 Co1 124.19(10) . . ?
C2 C1 H1 118.2(12) . . ?
B4 C1 H1 123.5(12) . . ?
B5 C1 H1 116.9(12) . . ?
B6 C1 H1 111.6(12) . . ?
Co1 C1 H1 108.8(12) . . ?
C1 C2 B11 111.60(13) . . ?
C1 C2 B7 111.48(12) . . ?
B11 C2 B7 63.44(10) . . ?
C1 C2 B6 62.07(10) . . ?
B11 C2 B6 62.39(10) . . ?
B7 C2 B6 115.29(12) . . ?
C1 C2 Co1 67.51(8) . . ?
B11 C2 Co1 125.50(10) . . ?
B7 C2 Co1 67.07(8) . . ?
B6 C2 Co1 126.04(11) . . ?
C1 C2 H2 116.0(12) . . ?
B11 C2 H2 117.7(12) . . ?
B7 C2 H2 125.5(12) . . ?
B6 C2 H2 109.5(12) . . ?
Co1 C2 H2 108.7(12) . . ?
C1 B4 B9 104.59(12) . . ?
C1 B4 B8 106.25(12) . . ?
B9 B4 B8 60.86(10) . . ?
C1 B4 B5 58.74(10) . . ?
B9 B4 B5 59.62(10) . . ?
B8 B4 B5 109.32(12) . . ?
C1 B4 Co1 63.90(8) . . ?
B9 B4 Co1 118.79(11) . . ?
B8 B4 Co1 65.86(8) . . ?
B5 B4 Co1 117.86(10) . . ?
C1 B4 I1 123.68(11) . . ?
B9 B4 I1 117.88(11) . . ?
B8 B4 I1 125.72(10) . . ?
B5 B4 I1 113.71(11) . . ?
Co1 B4 I1 116.58(8) . . ?
C1 B5 B6 59.65(10) . . ?
C1 B5 B9 103.73(12) . . ?
B6 B5 B9 108.05(13) . . ?
C1 B5 B10 104.74(13) . . ?
B6 B5 B10 59.92(11) . . ?
B9 B5 B10 60.00(10) . . ?
C1 B5 B4 57.55(9) . . ?
B6 B5 B4 107.93(13) . . ?
B9 B5 B4 59.69(10) . . ?
B10 B5 B4 107.54(13) . . ?
C1 B5 H5 118.6(12) . . ?
B6 B5 H5 120.6(12) . . ?
B9 B5 H5 126.5(12) . . ?
B10 B5 H5 128.7(12) . . ?
B4 B5 H5 118.0(12) . . ?
C2 B6 C1 55.99(9) . . ?
C2 B6 B5 103.94(12) . . ?
C1 B6 B5 58.62(10) . . ?
C2 B6 B10 104.14(12) . . ?
C1 B6 B10 104.48(12) . . ?
B5 B6 B10 60.60(11) . . ?
C2 B6 B11 57.95(10) . . ?
C1 B6 B11 103.20(12) . . ?
B5 B6 B11 108.17(13) . . ?
B10 B6 B11 60.15(11) . . ?
C2 B6 H6 117.2(12) . . ?
C1 B6 H6 117.2(12) . . ?
B5 B6 H6 124.2(12) . . ?
B10 B6 H6 132.6(12) . . ?
B11 B6 H6 124.8(12) . . ?
C2 B7 B12 103.52(12) . . ?
C2 B7 B11 57.70(10) . . ?
B12 B7 B11 59.76(10) . . ?
C2 B7 B8 104.65(12) . . ?
B12 B7 B8 60.25(10) . . ?
B11 B7 B8 108.12(13) . . ?
C2 B7 Co1 63.57(8) . . ?
B12 B7 Co1 119.33(12) . . ?
B11 B7 Co1 117.12(11) . . ?
B8 B7 Co1 66.63(8) . . ?
C2 B7 H7 121.4(11) . . ?
B12 B7 H7 120.3(11) . . ?
B11 B7 H7 113.0(11) . . ?
B8 B7 H7 129.6(11) . . ?
Co1 B7 H7 115.2(11) . . ?
B4 B8 B12 106.31(12) . . ?
B4 B8 B7 106.28(12) . . ?
B12 B8 B7 59.32(10) . . ?
B4 B8 B9 59.42(10) . . ?
B12 B8 B9 59.30(11) . . ?
B7 B8 B9 106.46(12) . . ?
B4 B8 Co1 64.90(8) . . ?
B12 B8 Co1 115.44(11) . . ?
B7 B8 Co1 63.06(8) . . ?
B9 B8 Co1 116.76(10) . . ?
B4 B8 Cs1A 90.0(3) . 2_665 ?
B12 B8 Cs1A 106.0(3) . 2_665 ?
B7 B8 Cs1A 160.3(3) . 2_665 ?
B9 B8 Cs1A 72.01(15) . 2_665 ?
Co1 B8 Cs1A 135.9(3) . 2_665 ?
B4 B8 Cs1 92.26(9) . 2_665 ?
B12 B8 Cs1 103.74(9) . 2_665 ?
B7 B8 Cs1 157.50(10) . 2_665 ?
B9 B8 Cs1 71.81(8) . 2_665 ?
Co1 B8 Cs1 138.53(7) . 2_665 ?
B4 B8 H8 122.1(12) . . ?
B12 B8 H8 120.4(12) . . ?
B7 B8 H8 125.7(12) . . ?
B9 B8 H8 118.1(12) . . ?
Co1 B8 H8 115.3(12) . . ?
Cs1A B8 H8 47.4(12) 2_665 . ?
Cs1 B8 H8 47.0(12) 2_665 . ?
B5 B9 B4 60.70(10) . . ?
B5 B9 B12 108.24(13) . . ?
B4 B9 B12 107.25(13) . . ?
B5 B9 B10 60.29(10) . . ?
B4 B9 B10 108.58(12) . . ?
B12 B9 B10 60.23(11) . . ?
B5 B9 B8 109.28(12) . . ?
B4 B9 B8 59.72(10) . . ?
B12 B9 B8 60.19(11) . . ?
B10 B9 B8 109.32(13) . . ?
B5 B9 Cs1A 137.8(3) . 2_665 ?
B4 B9 Cs1A 94.7(3) . 2_665 ?
B12 B9 Cs1A 111.8(3) . 2_665 ?
B10 B9 Cs1A 156.7(3) . 2_665 ?
B8 B9 Cs1A 80.58(17) . 2_665 ?
B5 B9 Cs1 140.48(11) . 2_665 ?
B4 B9 Cs1 97.25(9) . 2_665 ?
B12 B9 Cs1 109.68(10) . 2_665 ?
B10 B9 Cs1 154.00(10) . 2_665 ?
B8 B9 Cs1 80.81(8) . 2_665 ?
B5 B9 H9 118.3(13) . . ?
B4 B9 H9 120.7(13) . . ?
B12 B9 H9 124.5(13) . . ?
B10 B9 H9 120.6(13) . . ?
B8 B9 H9 122.8(13) . . ?
Cs1A B9 H9 42.9(13) 2_665 . ?
Cs1 B9 H9 42.3(12) 2_665 . ?
B6 B10 B11 59.93(11) . . ?
B6 B10 B9 107.47(12) . . ?
B11 B10 B9 107.47(13) . . ?
B6 B10 B5 59.47(10) . . ?
B11 B10 B5 107.10(13) . . ?
B9 B10 B5 59.71(10) . . ?
B6 B10 B12 107.96(13) . . ?
B11 B10 B12 59.96(11) . . ?
B9 B10 B12 59.88(11) . . ?
B5 B10 B12 107.50(13) . . ?
B6 B10 H10 120.5(13) . . ?
B11 B10 H10 122.4(13) . . ?
B9 B10 H10 122.7(13) . . ?
B5 B10 H10 121.2(13) . . ?
B12 B10 H10 123.3(13) . . ?
C2 B11 B6 59.66(10) . . ?
C2 B11 B10 105.26(13) . . ?
B6 B11 B10 59.92(11) . . ?
C2 B11 B12 104.34(12) . . ?
B6 B11 B12 108.20(13) . . ?
B10 B11 B12 60.26(11) . . ?
C2 B11 B7 58.86(10) . . ?
B6 B11 B7 109.27(12) . . ?
B10 B11 B7 108.60(13) . . ?
B12 B11 B7 59.68(10) . . ?
C2 B11 H11 116.5(11) . . ?
B6 B11 H11 118.7(11) . . ?
B10 B11 H11 128.9(11) . . ?
B12 B11 H11 128.5(11) . . ?
B7 B11 H11 117.5(11) . . ?
B7 B12 B9 108.30(13) . . ?
B7 B12 B11 60.56(10) . . ?
B9 B12 B11 107.33(13) . . ?
B7 B12 B10 108.92(13) . . ?
B9 B12 B10 59.89(11) . . ?
B11 B12 B10 59.78(11) . . ?
B7 B12 B8 60.43(10) . . ?
B9 B12 B8 60.51(10) . . ?
B11 B12 B8 108.91(12) . . ?
B10 B12 B8 109.31(13) . . ?
B7 B12 H12 119.3(12) . . ?
B9 B12 H12 124.1(12) . . ?
B11 B12 H12 120.4(12) . . ?
B10 B12 H12 122.1(12) . . ?
B8 B12 H12 121.0(12) . . ?
C2' C1' B4' 110.54(12) . . ?
C2' C1' B5' 110.99(12) . . ?
B4' C1' B5' 63.83(10) . . ?
C2' C1' B6' 61.40(10) . . ?
B4' C1' B6' 114.52(12) . . ?
B5' C1' B6' 62.04(10) . . ?
C2' C1' Co1 65.24(7) . . ?
B4' C1' Co1 68.31(8) . . ?
B5' C1' Co1 126.33(10) . . ?
B6' C1' Co1 123.30(10) . . ?
C2' C1' H1' 117.0(11) . . ?
B4' C1' H1' 124.9(12) . . ?
B5' C1' H1' 118.2(12) . . ?
B6' C1' H1' 111.7(12) . . ?
Co1 C1' H1' 108.2(12) . . ?
C1' C2' B11' 110.99(12) . . ?
C1' C2' B7' 111.51(12) . . ?
B11' C2' B7' 63.43(10) . . ?
C1' C2' B6' 61.57(10) . . ?
B11' C2' B6' 62.23(10) . . ?
B7' C2' B6' 115.16(13) . . ?
C1' C2' Co1 67.27(7) . . ?
B11' C2' Co1 125.50(11) . . ?
B7' C2' Co1 67.43(8) . . ?
B6' C2' Co1 125.35(10) . . ?
C1' C2' H2' 118.8(13) . . ?
B11' C2' H2' 117.6(13) . . ?
B7' C2' H2' 122.1(13) . . ?
B6' C2' H2' 112.9(13) . . ?
Co1 C2' H2' 107.4(13) . . ?
C1' B4' B9' 105.05(12) . . ?
C1' B4' B8' 106.69(12) . . ?
B9' B4' B8' 61.12(10) . . ?
C1' B4' B5' 58.59(9) . . ?
B9' B4' B5' 59.73(10) . . ?
B8' B4' B5' 109.42(12) . . ?
C1' B4' Co1 64.11(8) . . ?
B9' B4' Co1 119.44(10) . . ?
B8' B4' Co1 66.11(8) . . ?
B5' B4' Co1 117.89(10) . . ?
C1' B4' I2 124.35(10) . . ?
B9' B4' I2 116.30(10) . . ?
B8' B4' I2 125.03(11) . . ?
B5' B4' I2 113.50(10) . . ?
Co1 B4' I2 117.23(8) . . ?
C1' B5' B6' 59.43(10) . . ?
C1' B5' B10' 105.04(12) . . ?
B6' B5' B10' 60.02(10) . . ?
C1' B5' B9' 104.06(12) . . ?
B6' B5' B9' 108.03(13) . . ?
B10' B5' B9' 60.10(10) . . ?
C1' B5' B4' 57.58(9) . . ?
B6' B5' B4' 107.31(12) . . ?
B10' B5' B4' 107.21(12) . . ?
B9' B5' B4' 59.47(10) . . ?
C1' B5' H5' 116.7(12) . . ?
B6' B5' H5' 119.5(12) . . ?
B10' B5' H5' 129.5(12) . . ?
B9' B5' H5' 128.2(12) . . ?
B4' B5' H5' 118.5(12) . . ?
C2' B6' C1' 57.04(9) . . ?
C2' B6' B5' 104.69(12) . . ?
C1' B6' B5' 58.53(10) . . ?
C2' B6' B11' 58.35(10) . . ?
C1' B6' B11' 104.30(12) . . ?
B5' B6' B11' 108.25(13) . . ?
C2' B6' B10' 104.58(12) . . ?
C1' B6' B10' 104.50(12) . . ?
B5' B6' B10' 60.21(10) . . ?
B11' B6' B10' 60.17(11) . . ?
C2' B6' Cs1A 138.0(3) . 1_655 ?
C1' B6' Cs1A 164.6(3) . 1_655 ?
B5' B6' Cs1A 111.6(2) . 1_655 ?
B11' B6' Cs1A 89.9(3) . 1_655 ?
B10' B6' Cs1A 77.05(18) . 1_655 ?
C2' B6' Cs1 140.07(10) . 1_655 ?
C1' B6' Cs1 162.20(10) . 1_655 ?
B5' B6' Cs1 110.41(9) . 1_655 ?
B11' B6' Cs1 92.28(9) . 1_655 ?
B10' B6' Cs1 77.98(9) . 1_655 ?
C2' B6' H6' 119.3(12) . . ?
C1' B6' H6' 118.9(12) . . ?
B5' B6' H6' 123.2(12) . . ?
B11' B6' H6' 124.4(12) . . ?
B10' B6' H6' 129.8(12) . . ?
Cs1A B6' H6' 54.4(12) 1_655 . ?
Cs1 B6' H6' 53.0(12) 1_655 . ?
C2' B7' B12' 103.88(12) . . ?
C2' B7' B11' 58.09(10) . . ?
B12' B7' B11' 59.55(10) . . ?
C2' B7' B8' 104.84(12) . . ?
B12' B7' B8' 60.01(10) . . ?
B11' B7' B8' 107.73(12) . . ?
C2' B7' Co1 63.54(8) . . ?
B12' B7' Co1 119.11(11) . . ?
B11' B7' Co1 117.18(11) . . ?
B8' B7' Co1 66.57(8) . . ?
C2' B7' Cs1 170.24(10) . . ?
B12' B7' Cs1 84.57(9) . . ?
B11' B7' Cs1 124.71(10) . . ?
B8' B7' Cs1 83.53(8) . . ?
Co1 B7' Cs1 116.84(7) . . ?
C2' B7' Cs1A 169.0(2) . . ?
B12' B7' Cs1A 86.0(2) . . ?
B11' B7' Cs1A 125.63(19) . . ?
B8' B7' Cs1A 84.28(16) . . ?
Co1 B7' Cs1A 116.18(16) . . ?
C2' B7' H7' 120.3(11) . . ?
B12' B7' H7' 121.1(11) . . ?
B11' B7' H7' 113.0(11) . . ?
B8' B7' H7' 130.3(11) . . ?
Co1 B7' H7' 114.8(11) . . ?
Cs1 B7' H7' 50.1(11) . . ?
Cs1A B7' H7' 49.0(11) . . ?
B4' B8' B12' 106.50(12) . . ?
B4' B8' B7' 106.38(12) . . ?
B12' B8' B7' 59.66(10) . . ?
B4' B8' B9' 59.29(10) . . ?
B12' B8' B9' 59.59(10) . . ?
B7' B8' B9' 106.95(12) . . ?
B4' B8' Co1 64.76(8) . . ?
B12' B8' Co1 115.87(11) . . ?
B7' B8' Co1 63.19(8) . . ?
B9' B8' Co1 116.73(11) . . ?
B4' B8' Cs1 171.73(10) . . ?
B12' B8' Cs1 77.51(8) . . ?
B7' B8' Cs1 69.08(8) . . ?
B9' B8' Cs1 128.19(10) . . ?
Co1 B8' Cs1 107.03(6) . . ?
B4' B8' H8' 121.7(11) . . ?
B12' B8' H8' 120.4(11) . . ?
B7' B8' H8' 125.9(11) . . ?
B9' B8' H8' 117.7(11) . . ?
Co1 B8' H8' 115.3(11) . . ?
Cs1 B8' H8' 59.9(11) . . ?
B4' B9' B5' 60.80(10) . . ?
B4' B9' B10' 108.14(13) . . ?
B5' B9' B10' 59.94(10) . . ?
B4' B9' B12' 106.99(12) . . ?
B5' B9' B12' 108.02(13) . . ?
B10' B9' B12' 60.16(10) . . ?
B4' B9' B8' 59.59(10) . . ?
B5' B9' B8' 109.05(12) . . ?
B10' B9' B8' 108.73(12) . . ?
B12' B9' B8' 59.92(10) . . ?
B4' B9' H9' 122.0(11) . . ?
B5' B9' H9' 121.9(12) . . ?
B10' B9' H9' 122.0(12) . . ?
B12' B9' H9' 121.7(11) . . ?
B8' B9' H9' 120.4(12) . . ?
B6' B10' B11' 59.80(11) . . ?
B6' B10' B5' 59.77(10) . . ?
B11' B10' B5' 107.60(13) . . ?
B6' B10' B9' 107.72(13) . . ?
B11' B10' B9' 107.81(13) . . ?
B5' B10' B9' 59.96(10) . . ?
B6' B10' B12' 107.80(13) . . ?
B11' B10' B12' 59.87(10) . . ?
B5' B10' B12' 108.05(13) . . ?
B9' B10' B12' 60.18(10) . . ?
B6' B10' Cs1A 75.11(17) . 1_655 ?
B11' B10' Cs1A 88.8(3) . 1_655 ?
B5' B10' Cs1A 110.1(2) . 1_655 ?
B9' B10' Cs1A 162.4(3) . 1_655 ?
B12' B10' Cs1A 136.4(3) . 1_655 ?
B6' B10' Cs1 75.01(8) . 1_655 ?
B11' B10' Cs1 90.63(9) . 1_655 ?
B5' B10' Cs1 108.32(10) . 1_655 ?
B9' B10' Cs1 160.23(11) . 1_655 ?
B12' B10' Cs1 138.63(10) . 1_655 ?
B6' B10' H10' 123.1(12) . . ?
B11' B10' H10' 121.3(12) . . ?
B5' B10' H10' 123.2(12) . . ?
B9' B10' H10' 121.5(12) . . ?
B12' B10' H10' 120.1(12) . . ?
Cs1A B10' H10' 49.4(12) 1_655 . ?
Cs1 B10' H10' 49.0(12) 1_655 . ?
C2' B11' B6' 59.42(10) . . ?
C2' B11' B10' 105.29(12) . . ?
B6' B11' B10' 60.03(10) . . ?
C2' B11' B12' 104.59(12) . . ?
B6' B11' B12' 108.42(13) . . ?
B10' B11' B12' 60.42(10) . . ?
C2' B11' B7' 58.48(10) . . ?
B6' B11' B7' 108.76(12) . . ?
B10' B11' B7' 108.76(12) . . ?
B12' B11' B7' 60.08(10) . . ?
C2' B11' H11' 118.2(12) . . ?
B6' B11' H11' 120.1(12) . . ?
B10' B11' H11' 127.9(12) . . ?
B12' B11' H11' 126.5(12) . . ?
B7' B11' H11' 117.6(12) . . ?
B11' B12' B7' 60.37(10) . . ?
B11' B12' B10' 59.71(10) . . ?
B7' B12' B10' 108.44(13) . . ?
B11' B12' B9' 107.28(13) . . ?
B7' B12' B9' 108.18(12) . . ?
B10' B12' B9' 59.66(10) . . ?
B11' B12' B8' 108.64(13) . . ?
B7' B12' B8' 60.33(10) . . ?
B10' B12' B8' 108.79(13) . . ?
B9' B12' B8' 60.49(10) . . ?
B11' B12' Cs1 113.53(10) . . ?
B7' B12' Cs1 68.38(8) . . ?
B10' B12' Cs1 172.50(11) . . ?
B9' B12' Cs1 127.54(10) . . ?
B8' B12' Cs1 75.89(8) . . ?
B11' B12' H12' 121.6(11) . . ?
B7' B12' H12' 119.6(11) . . ?
B10' B12' H12' 123.1(11) . . ?
B9' B12' H12' 123.3(11) . . ?
B8' B12' H12' 120.2(11) . . ?
Cs1 B12' H12' 56.4(11) . . ?

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
B4 C1 C2 B11 68.21(15) . . . . ?
B5 C1 C2 B11 -0.77(16) . . . . ?
B6 C1 C2 B11 -39.29(12) . . . . ?
Co1 C1 C2 B11 120.81(11) . . . . ?
B4 C1 C2 B7 -0.63(17) . . . . ?
B5 C1 C2 B7 -69.61(15) . . . . ?
B6 C1 C2 B7 -108.12(13) . . . . ?
Co1 C1 C2 B7 51.97(10) . . . . ?
B4 C1 C2 B6 107.49(13) . . . . ?
B5 C1 C2 B6 38.52(12) . . . . ?
Co1 C1 C2 B6 160.09(10) . . . . ?
B4 C1 C2 Co1 -52.60(10) . . . . ?
B5 C1 C2 Co1 -121.57(11) . . . . ?
B6 C1 C2 Co1 -160.09(10) . . . . ?
C2 C1 B4 B9 -64.20(15) . . . . ?
B5 C1 B4 B9 39.71(12) . . . . ?
B6 C1 B4 B9 3.69(17) . . . . ?
Co1 C1 B4 B9 -115.25(11) . . . . ?
C2 C1 B4 B8 -0.84(16) . . . . ?
B5 C1 B4 B8 103.07(13) . . . . ?
B6 C1 B4 B8 67.05(15) . . . . ?
Co1 C1 B4 B8 -51.89(9) . . . . ?
C2 C1 B4 B5 -103.91(13) . . . . ?
B6 C1 B4 B5 -36.02(13) . . . . ?
Co1 C1 B4 B5 -154.96(10) . . . . ?
C2 C1 B4 Co1 51.05(10) . . . . ?
B5 C1 B4 Co1 154.96(10) . . . . ?
B6 C1 B4 Co1 118.94(12) . . . . ?
C2 C1 B4 I1 156.85(11) . . . . ?
B5 C1 B4 I1 -99.25(13) . . . . ?
B6 C1 B4 I1 -135.27(12) . . . . ?
Co1 C1 B4 I1 105.80(11) . . . . ?
C2 C1 B5 B6 -38.60(12) . . . . ?
B4 C1 B5 B6 -142.66(13) . . . . ?
Co1 C1 B5 B6 -113.34(14) . . . . ?
C2 C1 B5 B9 64.49(15) . . . . ?
B4 C1 B5 B9 -39.56(12) . . . . ?
B6 C1 B5 B9 103.10(13) . . . . ?
Co1 C1 B5 B9 -10.24(17) . . . . ?
C2 C1 B5 B10 2.40(15) . . . . ?
B4 C1 B5 B10 -101.65(13) . . . . ?
B6 C1 B5 B10 41.01(11) . . . . ?
Co1 C1 B5 B10 -72.34(15) . . . . ?
C2 C1 B5 B4 104.05(13) . . . . ?
B6 C1 B5 B4 142.66(13) . . . . ?
Co1 C1 B5 B4 29.32(12) . . . . ?
B9 B4 B5 C1 -134.22(13) . . . . ?
B8 B4 B5 C1 -97.71(13) . . . . ?
Co1 B4 B5 C1 -25.47(10) . . . . ?
I1 B4 B5 C1 116.23(12) . . . . ?
C1 B4 B5 B6 33.38(12) . . . . ?
B9 B4 B5 B6 -100.84(14) . . . . ?
B8 B4 B5 B6 -64.33(15) . . . . ?
Co1 B4 B5 B6 7.91(16) . . . . ?
I1 B4 B5 B6 149.61(11) . . . . ?
C1 B4 B5 B9 134.22(13) . . . . ?
B8 B4 B5 B9 36.51(12) . . . . ?
Co1 B4 B5 B9 108.75(13) . . . . ?
I1 B4 B5 B9 -109.55(12) . . . . ?
C1 B4 B5 B10 96.62(13) . . . . ?
B9 B4 B5 B10 -37.60(12) . . . . ?
B8 B4 B5 B10 -1.09(17) . . . . ?
Co1 B4 B5 B10 71.16(14) . . . . ?
I1 B4 B5 B10 -147.15(11) . . . . ?
B11 C2 B6 C1 138.36(13) . . . . ?
B7 C2 B6 C1 102.00(13) . . . . ?
Co1 C2 B6 C1 22.90(11) . . . . ?
C1 C2 B6 B5 -35.44(11) . . . . ?
B11 C2 B6 B5 102.93(13) . . . . ?
B7 C2 B6 B5 66.56(15) . . . . ?
Co1 C2 B6 B5 -12.54(17) . . . . ?
C1 C2 B6 B10 -98.12(13) . . . . ?
B11 C2 B6 B10 40.25(12) . . . . ?
B7 C2 B6 B10 3.88(17) . . . . ?
Co1 C2 B6 B10 -75.22(15) . . . . ?
C1 C2 B6 B11 -138.36(13) . . . . ?
B7 C2 B6 B11 -36.37(13) . . . . ?
Co1 C2 B6 B11 -115.47(14) . . . . ?
B4 C1 B6 C2 -101.99(14) . . . . ?
B5 C1 B6 C2 -138.76(13) . . . . ?
Co1 C1 B6 C2 -22.03(11) . . . . ?
C2 C1 B6 B5 138.76(13) . . . . ?
B4 C1 B6 B5 36.77(13) . . . . ?
Co1 C1 B6 B5 116.73(13) . . . . ?
C2 C1 B6 B10 97.47(13) . . . . ?
B4 C1 B6 B10 -4.52(17) . . . . ?
B5 C1 B6 B10 -41.29(12) . . . . ?
Co1 C1 B6 B10 75.45(15) . . . . ?
C2 C1 B6 B11 35.34(11) . . . . ?
B4 C1 B6 B11 -66.65(16) . . . . ?
B5 C1 B6 B11 -103.42(14) . . . . ?
Co1 C1 B6 B11 13.31(17) . . . . ?
C1 B5 B6 C2 34.27(11) . . . . ?
B9 B5 B6 C2 -61.38(15) . . . . ?
B10 B5 B6 C2 -98.57(13) . . . . ?
B4 B5 B6 C2 1.72(16) . . . . ?
B9 B5 B6 C1 -95.64(13) . . . . ?
B10 B5 B6 C1 -132.84(13) . . . . ?
B4 B5 B6 C1 -32.55(11) . . . . ?
C1 B5 B6 B10 132.84(13) . . . . ?
B9 B5 B6 B10 37.20(12) . . . . ?
B4 B5 B6 B10 100.29(13) . . . . ?
C1 B5 B6 B11 94.66(13) . . . . ?
B9 B5 B6 B11 -0.98(17) . . . . ?
B10 B5 B6 B11 -38.18(12) . . . . ?
B4 B5 B6 B11 62.11(16) . . . . ?
C1 C2 B7 B12 64.10(15) . . . . ?
B11 C2 B7 B12 -40.11(12) . . . . ?
B6 C2 B7 B12 -4.14(16) . . . . ?
Co1 C2 B7 B12 116.30(11) . . . . ?
C1 C2 B7 B11 104.21(14) . . . . ?
B6 C2 B7 B11 35.97(13) . . . . ?
Co1 C2 B7 B11 156.42(11) . . . . ?
C1 C2 B7 B8 1.79(16) . . . . ?
B11 C2 B7 B8 -102.42(13) . . . . ?
B6 C2 B7 B8 -66.45(15) . . . . ?
Co1 C2 B7 B8 54.00(9) . . . . ?
C1 C2 B7 Co1 -52.21(10) . . . . ?
B11 C2 B7 Co1 -156.42(11) . . . . ?
B6 C2 B7 Co1 -120.44(12) . . . . ?
C1 B4 B8 B12 -60.18(15) . . . . ?
B9 B4 B8 B12 37.74(12) . . . . ?
B5 B4 B8 B12 1.75(16) . . . . ?
Co1 B4 B8 B12 -110.93(11) . . . . ?
I1 B4 B8 B12 142.72(12) . . . . ?
C1 B4 B8 B7 1.89(15) . . . . ?
B9 B4 B8 B7 99.81(13) . . . . ?
B5 B4 B8 B7 63.82(15) . . . . ?
Co1 B4 B8 B7 -48.86(9) . . . . ?
I1 B4 B8 B7 -155.21(11) . . . . ?
C1 B4 B8 B9 -97.92(13) . . . . ?
B5 B4 B8 B9 -35.99(12) . . . . ?
Co1 B4 B8 B9 -148.67(10) . . . . ?
I1 B4 B8 B9 104.98(13) . . . . ?
C1 B4 B8 Co1 50.74(9) . . . . ?
B9 B4 B8 Co1 148.67(10) . . . . ?
B5 B4 B8 Co1 112.68(11) . . . . ?
I1 B4 B8 Co1 -106.35(11) . . . . ?
C1 B4 B8 Cs1A -166.9(2) . . . 2_665 ?
B9 B4 B8 Cs1A -69.0(2) . . . 2_665 ?
B5 B4 B8 Cs1A -104.9(2) . . . 2_665 ?
Co1 B4 B8 Cs1A 142.4(2) . . . 2_665 ?
I1 B4 B8 Cs1A 36.0(2) . . . 2_665 ?
C1 B4 B8 Cs1 -165.20(10) . . . 2_665 ?
B9 B4 B8 Cs1 -67.28(9) . . . 2_665 ?
B5 B4 B8 Cs1 -103.27(11) . . . 2_665 ?
Co1 B4 B8 Cs1 144.05(6) . . . 2_665 ?
I1 B4 B8 Cs1 37.70(12) . . . 2_665 ?
C2 B7 B8 B4 -2.20(15) . . . . ?
B12 B7 B8 B4 -99.61(13) . . . . ?
B11 B7 B8 B4 -62.49(15) . . . . ?
Co1 B7 B8 B4 49.91(9) . . . . ?
C2 B7 B8 B12 97.41(13) . . . . ?
B11 B7 B8 B12 37.12(12) . . . . ?
Co1 B7 B8 B12 149.52(11) . . . . ?
C2 B7 B8 B9 60.00(14) . . . . ?
B12 B7 B8 B9 -37.41(12) . . . . ?
B11 B7 B8 B9 -0.29(16) . . . . ?
Co1 B7 B8 B9 112.11(11) . . . . ?
C2 B7 B8 Co1 -52.11(9) . . . . ?
B12 B7 B8 Co1 -149.52(11) . . . . ?
B11 B7 B8 Co1 -112.40(11) . . . . ?
C2 B7 B8 Cs1A 142.5(5) . . . 2_665 ?
B12 B7 B8 Cs1A 45.1(5) . . . 2_665 ?
B11 B7 B8 Cs1A 82.2(5) . . . 2_665 ?
Co1 B7 B8 Cs1A -165.4(5) . . . 2_665 ?
C2 B7 B8 Cs1 142.1(2) . . . 2_665 ?
B12 B7 B8 Cs1 44.7(3) . . . 2_665 ?
B11 B7 B8 Cs1 81.8(3) . . . 2_665 ?
Co1 B7 B8 Cs1 -165.8(3) . . . 2_665 ?
C1 B5 B9 B4 38.51(11) . . . . ?
B6 B5 B9 B4 100.63(13) . . . . ?
B10 B5 B9 B4 137.80(14) . . . . ?
C1 B5 B9 B12 -61.46(15) . . . . ?
B6 B5 B9 B12 0.67(17) . . . . ?
B10 B5 B9 B12 37.83(12) . . . . ?
B4 B5 B9 B12 -99.97(14) . . . . ?
C1 B5 B9 B10 -99.29(13) . . . . ?
B6 B5 B9 B10 -37.16(12) . . . . ?
B4 B5 B9 B10 -137.80(14) . . . . ?
C1 B5 B9 B8 2.48(16) . . . . ?
B6 B5 B9 B8 64.61(16) . . . . ?
B10 B5 B9 B8 101.77(14) . . . . ?
B4 B5 B9 B8 -36.03(12) . . . . ?
C1 B5 B9 Cs1A 99.8(3) . . . 2_665 ?
B6 B5 B9 Cs1A 161.9(3) . . . 2_665 ?
B10 B5 B9 Cs1A -160.9(3) . . . 2_665 ?
B4 B5 B9 Cs1A 61.3(3) . . . 2_665 ?
C1 B5 B9 Cs1 101.57(16) . . . 2_665 ?
B6 B5 B9 Cs1 163.70(12) . . . 2_665 ?
B10 B5 B9 Cs1 -159.13(18) . . . 2_665 ?
B4 B5 B9 Cs1 63.07(16) . . . 2_665 ?
C1 B4 B9 B5 -39.28(12) . . . . ?
B8 B4 B9 B5 -139.99(13) . . . . ?
Co1 B4 B9 B5 -107.21(12) . . . . ?
I1 B4 B9 B5 102.54(12) . . . . ?
C1 B4 B9 B12 62.35(15) . . . . ?
B8 B4 B9 B12 -38.37(12) . . . . ?
B5 B4 B9 B12 101.63(14) . . . . ?
Co1 B4 B9 B12 -5.59(16) . . . . ?
I1 B4 B9 B12 -155.84(10) . . . . ?
C1 B4 B9 B10 -1.29(17) . . . . ?
B8 B4 B9 B10 -102.00(14) . . . . ?
B5 B4 B9 B10 37.99(13) . . . . ?
Co1 B4 B9 B10 -69.22(15) . . . . ?
I1 B4 B9 B10 140.53(12) . . . . ?
C1 B4 B9 B8 100.72(13) . . . . ?
B5 B4 B9 B8 139.99(13) . . . . ?
Co1 B4 B9 B8 32.78(11) . . . . ?
I1 B4 B9 B8 -117.47(12) . . . . ?
C1 B4 B9 Cs1A 177.0(2) . . . 2_665 ?
B8 B4 B9 Cs1A 76.24(19) . . . 2_665 ?
B5 B4 B9 Cs1A -143.8(2) . . . 2_665 ?
Co1 B4 B9 Cs1A 109.0(2) . . . 2_665 ?
I1 B4 B9 Cs1A -41.2(2) . . . 2_665 ?
C1 B4 B9 Cs1 175.61(9) . . . 2_665 ?
B8 B4 B9 Cs1 74.89(9) . . . 2_665 ?
B5 B4 B9 Cs1 -145.11(11) . . . 2_665 ?
Co1 B4 B9 Cs1 107.67(9) . . . 2_665 ?
I1 B4 B9 Cs1 -42.58(11) . . . 2_665 ?
B4 B8 B9 B5 36.43(12) . . . . ?
B12 B8 B9 B5 -100.47(14) . . . . ?
B7 B8 B9 B5 -63.05(15) . . . . ?
Co1 B8 B9 B5 4.60(17) . . . . ?
Cs1A B8 B9 B5 137.5(3) 2_665 . . . ?
Cs1 B8 B9 B5 140.46(12) 2_665 . . . ?
B12 B8 B9 B4 -136.91(13) . . . . ?
B7 B8 B9 B4 -99.49(13) . . . . ?
Co1 B8 B9 B4 -31.83(11) . . . . ?
Cs1A B8 B9 B4 101.1(3) 2_665 . . . ?
Cs1 B8 B9 B4 104.03(9) 2_665 . . . ?
B4 B8 B9 B12 136.91(13) . . . . ?
B7 B8 B9 B12 37.42(12) . . . . ?
Co1 B8 B9 B12 105.08(13) . . . . ?
Cs1A B8 B9 B12 -122.0(3) 2_665 . . . ?
Cs1 B8 B9 B12 -119.07(9) 2_665 . . . ?
B4 B8 B9 B10 100.73(13) . . . . ?
B12 B8 B9 B10 -36.17(12) . . . . ?
B7 B8 B9 B10 1.24(16) . . . . ?
Co1 B8 B9 B10 68.90(15) . . . . ?
Cs1A B8 B9 B10 -158.2(3) 2_665 . . . ?
Cs1 B8 B9 B10 -155.24(12) 2_665 . . . ?
B4 B8 B9 Cs1A -101.1(3) . . . 2_665 ?
B12 B8 B9 Cs1A 122.0(3) . . . 2_665 ?
B7 B8 B9 Cs1A 159.4(3) . . . 2_665 ?
Co1 B8 B9 Cs1A -132.9(3) . . . 2_665 ?
B4 B8 B9 Cs1 -104.03(9) . . . 2_665 ?
B12 B8 B9 Cs1 119.07(9) . . . 2_665 ?
B7 B8 B9 Cs1 156.48(10) . . . 2_665 ?
Co1 B8 B9 Cs1 -135.86(9) . . . 2_665 ?
C2 B6 B10 B11 -39.15(11) . . . . ?
C1 B6 B10 B11 -97.10(13) . . . . ?
B5 B6 B10 B11 -137.38(13) . . . . ?
C2 B6 B10 B9 61.30(16) . . . . ?
C1 B6 B10 B9 3.35(17) . . . . ?
B5 B6 B10 B9 -36.93(12) . . . . ?
B11 B6 B10 B9 100.45(14) . . . . ?
C2 B6 B10 B5 98.23(13) . . . . ?
C1 B6 B10 B5 40.28(11) . . . . ?
B11 B6 B10 B5 137.38(13) . . . . ?
C2 B6 B10 B12 -1.89(16) . . . . ?
C1 B6 B10 B12 -59.84(16) . . . . ?
B5 B6 B10 B12 -100.12(14) . . . . ?
B11 B6 B10 B12 37.26(12) . . . . ?
B5 B9 B10 B6 36.83(12) . . . . ?
B4 B9 B10 B6 -1.34(18) . . . . ?
B12 B9 B10 B6 -101.03(14) . . . . ?
B8 B9 B10 B6 -64.87(16) . . . . ?
Cs1A B9 B10 B6 -176.9(5) 2_665 . . . ?
Cs1 B9 B10 B6 -174.3(2) 2_665 . . . ?
B5 B9 B10 B11 99.98(14) . . . . ?
B4 B9 B10 B11 61.81(16) . . . . ?
B12 B9 B10 B11 -37.87(12) . . . . ?
B8 B9 B10 B11 -1.72(17) . . . . ?
Cs1A B9 B10 B11 -113.8(5) 2_665 . . . ?
Cs1 B9 B10 B11 -111.2(2) 2_665 . . . ?
B4 B9 B10 B5 -38.17(12) . . . . ?
B12 B9 B10 B5 -137.85(13) . . . . ?
B8 B9 B10 B5 -101.70(13) . . . . ?
Cs1A B9 B10 B5 146.3(5) 2_665 . . . ?
Cs1 B9 B10 B5 148.9(3) 2_665 . . . ?
B5 B9 B10 B12 137.85(13) . . . . ?
B4 B9 B10 B12 99.68(14) . . . . ?
B8 B9 B10 B12 36.16(12) . . . . ?
Cs1A B9 B10 B12 -75.9(5) 2_665 . . . ?
Cs1 B9 B10 B12 -73.3(3) 2_665 . . . ?
C1 B5 B10 B6 -40.87(11) . . . . ?
B9 B5 B10 B6 -138.41(14) . . . . ?
B4 B5 B10 B6 -100.96(13) . . . . ?
C1 B5 B10 B11 -3.05(16) . . . . ?
B6 B5 B10 B11 37.81(12) . . . . ?
B9 B5 B10 B11 -100.60(14) . . . . ?
B4 B5 B10 B11 -63.14(15) . . . . ?
C1 B5 B10 B9 97.55(13) . . . . ?
B6 B5 B10 B9 138.41(14) . . . . ?
B4 B5 B10 B9 37.46(12) . . . . ?
C1 B5 B10 B12 60.06(15) . . . . ?
B6 B5 B10 B12 100.93(14) . . . . ?
B9 B5 B10 B12 -37.49(12) . . . . ?
B4 B5 B10 B12 -0.03(17) . . . . ?
C1 C2 B11 B6 39.15(12) . . . . ?
B7 C2 B11 B6 143.18(13) . . . . ?
Co1 C2 B11 B6 116.27(14) . . . . ?
C1 C2 B11 B10 -1.23(16) . . . . ?
B7 C2 B11 B10 102.80(13) . . . . ?
B6 C2 B11 B10 -40.38(12) . . . . ?
Co1 C2 B11 B10 75.88(15) . . . . ?
C1 C2 B11 B12 -63.79(15) . . . . ?
B7 C2 B11 B12 40.24(12) . . . . ?
B6 C2 B11 B12 -102.93(14) . . . . ?
Co1 C2 B11 B12 13.33(18) . . . . ?
C1 C2 B11 B7 -104.03(13) . . . . ?
B6 C2 B11 B7 -143.18(13) . . . . ?
Co1 C2 B11 B7 -26.91(13) . . . . ?
C1 B6 B11 C2 -34.45(11) . . . . ?
B5 B6 B11 C2 -95.37(13) . . . . ?
B10 B6 B11 C2 -133.75(13) . . . . ?
C2 B6 B11 B10 133.75(13) . . . . ?
C1 B6 B11 B10 99.30(13) . . . . ?
B5 B6 B11 B10 38.38(12) . . . . ?
C2 B6 B11 B12 96.30(13) . . . . ?
C1 B6 B11 B12 61.85(15) . . . . ?
B5 B6 B11 B12 0.92(17) . . . . ?
B10 B6 B11 B12 -37.46(12) . . . . ?
C2 B6 B11 B7 32.92(12) . . . . ?
C1 B6 B11 B7 -1.53(17) . . . . ?
B5 B6 B11 B7 -62.46(16) . . . . ?
B10 B6 B11 B7 -100.84(14) . . . . ?
B6 B10 B11 C2 40.25(11) . . . . ?
B9 B10 B11 C2 -60.20(15) . . . . ?
B5 B10 B11 C2 2.65(16) . . . . ?
B12 B10 B11 C2 -98.04(13) . . . . ?
B9 B10 B11 B6 -100.45(14) . . . . ?
B5 B10 B11 B6 -37.61(12) . . . . ?
B12 B10 B11 B6 -138.29(13) . . . . ?
B6 B10 B11 B12 138.29(13) . . . . ?
B9 B10 B11 B12 37.84(12) . . . . ?
B5 B10 B11 B12 100.68(13) . . . . ?
B6 B10 B11 B7 101.97(13) . . . . ?
B9 B10 B11 B7 1.52(17) . . . . ?
B5 B10 B11 B7 64.37(15) . . . . ?
B12 B10 B11 B7 -36.32(12) . . . . ?
B12 B7 B11 C2 133.52(13) . . . . ?
B8 B7 B11 C2 96.19(13) . . . . ?
Co1 B7 B11 C2 23.74(11) . . . . ?
C2 B7 B11 B6 -33.23(12) . . . . ?
B12 B7 B11 B6 100.30(15) . . . . ?
B8 B7 B11 B6 62.97(16) . . . . ?
Co1 B7 B11 B6 -9.49(18) . . . . ?
C2 B7 B11 B10 -96.96(14) . . . . ?
B12 B7 B11 B10 36.57(12) . . . . ?
B8 B7 B11 B10 -0.76(16) . . . . ?
Co1 B7 B11 B10 -73.22(15) . . . . ?
C2 B7 B11 B12 -133.52(13) . . . . ?
B8 B7 B11 B12 -37.33(12) . . . . ?
Co1 B7 B11 B12 -109.79(14) . . . . ?
C2 B7 B12 B9 -60.93(15) . . . . ?
B11 B7 B12 B9 -100.00(14) . . . . ?
B8 B7 B12 B9 38.40(12) . . . . ?
Co1 B7 B12 B9 6.12(17) . . . . ?
C2 B7 B12 B11 39.08(11) . . . . ?
B8 B7 B12 B11 138.41(13) . . . . ?
Co1 B7 B12 B11 106.12(13) . . . . ?
C2 B7 B12 B10 2.64(16) . . . . ?
B11 B7 B12 B10 -36.44(12) . . . . ?
B8 B7 B12 B10 101.97(14) . . . . ?
Co1 B7 B12 B10 69.68(16) . . . . ?
C2 B7 B12 B8 -99.33(12) . . . . ?
B11 B7 B12 B8 -138.41(13) . . . . ?
Co1 B7 B12 B8 -32.28(11) . . . . ?
B5 B9 B12 B7 63.86(15) . . . . ?
B4 B9 B12 B7 -0.21(16) . . . . ?
B10 B9 B12 B7 101.72(14) . . . . ?
B8 B9 B12 B7 -38.37(12) . . . . ?
Cs1A B9 B12 B7 -102.7(3) 2_665 . . . ?
Cs1 B9 B12 B7 -104.77(11) 2_665 . . . ?
B5 B9 B12 B11 -0.10(17) . . . . ?
B4 B9 B12 B11 -64.17(15) . . . . ?
B10 B9 B12 B11 37.76(12) . . . . ?
B8 B9 B12 B11 -102.32(13) . . . . ?
Cs1A B9 B12 B11 -166.7(3) 2_665 . . . ?
Cs1 B9 B12 B11 -168.72(10) 2_665 . . . ?
B5 B9 B12 B10 -37.86(12) . . . . ?
B4 B9 B12 B10 -101.93(13) . . . . ?
B8 B9 B12 B10 -140.08(13) . . . . ?
Cs1A B9 B12 B10 155.6(3) 2_665 . . . ?
Cs1 B9 B12 B10 153.52(11) 2_665 . . . ?
B5 B9 B12 B8 102.23(13) . . . . ?
B4 B9 B12 B8 38.16(11) . . . . ?
B10 B9 B12 B8 140.08(13) . . . . ?
Cs1A B9 B12 B8 -64.3(3) 2_665 . . . ?
Cs1 B9 B12 B8 -66.40(10) 2_665 . . . ?
C2 B11 B12 B7 -39.83(12) . . . . ?
B6 B11 B12 B7 -102.14(13) . . . . ?
B10 B11 B12 B7 -139.44(13) . . . . ?
C2 B11 B12 B9 61.79(15) . . . . ?
B6 B11 B12 B9 -0.51(17) . . . . ?
B10 B11 B12 B9 -37.81(12) . . . . ?
B7 B11 B12 B9 101.63(13) . . . . ?
C2 B11 B12 B10 99.61(14) . . . . ?
B6 B11 B12 B10 37.30(12) . . . . ?
B7 B11 B12 B10 139.44(13) . . . . ?
C2 B11 B12 B8 -2.22(17) . . . . ?
B6 B11 B12 B8 -64.52(16) . . . . ?
B10 B11 B12 B8 -101.83(14) . . . . ?
B7 B11 B12 B8 37.61(12) . . . . ?
B6 B10 B12 B7 -0.48(18) . . . . ?
B11 B10 B12 B7 36.77(12) . . . . ?
B9 B10 B12 B7 -100.65(14) . . . . ?
B5 B10 B12 B7 -63.24(17) . . . . ?
B6 B10 B12 B9 100.18(14) . . . . ?
B11 B10 B12 B9 137.43(13) . . . . ?
B5 B10 B12 B9 37.41(12) . . . . ?
B6 B10 B12 B11 -37.25(12) . . . . ?
B9 B10 B12 B11 -137.43(13) . . . . ?
B5 B10 B12 B11 -100.02(14) . . . . ?
B6 B10 B12 B8 63.89(17) . . . . ?
B11 B10 B12 B8 101.14(14) . . . . ?
B9 B10 B12 B8 -36.29(12) . . . . ?
B5 B10 B12 B8 1.13(18) . . . . ?
B4 B8 B12 B7 99.55(13) . . . . ?
B9 B8 B12 B7 137.35(13) . . . . ?
Co1 B8 B12 B7 30.05(11) . . . . ?
Cs1A B8 B12 B7 -165.6(2) 2_665 . . . ?
Cs1 B8 B12 B7 -163.91(10) 2_665 . . . ?
B4 B8 B12 B9 -37.80(12) . . . . ?
B7 B8 B12 B9 -137.35(13) . . . . ?
Co1 B8 B12 B9 -107.30(12) . . . . ?
Cs1A B8 B12 B9 57.0(2) 2_665 . . . ?
Cs1 B8 B12 B9 58.74(9) 2_665 . . . ?
B4 B8 B12 B11 61.88(16) . . . . ?
B7 B8 B12 B11 -37.67(13) . . . . ?
B9 B8 B12 B11 99.68(14) . . . . ?
Co1 B8 B12 B11 -7.62(17) . . . . ?
Cs1A B8 B12 B11 156.7(2) 2_665 . . . ?
Cs1 B8 B12 B11 158.42(11) 2_665 . . . ?
B4 B8 B12 B10 -1.77(17) . . . . ?
B7 B8 B12 B10 -101.32(14) . . . . ?
B9 B8 B12 B10 36.03(12) . . . . ?
Co1 B8 B12 B10 -71.27(16) . . . . ?
Cs1A B8 B12 B10 93.1(2) 2_665 . . . ?
Cs1 B8 B12 B10 94.76(12) 2_665 . . . ?
B4' C1' C2' B11' 68.32(15) . . . . ?
B5' C1' C2' B11' -0.54(16) . . . . ?
B6' C1' C2' B11' -39.17(12) . . . . ?
Co1 C1' C2' B11' 120.91(12) . . . . ?
B4' C1' C2' B7' -0.35(16) . . . . ?
B5' C1' C2' B7' -69.21(15) . . . . ?
B6' C1' C2' B7' -107.84(14) . . . . ?
Co1 C1' C2' B7' 52.24(10) . . . . ?
B4' C1' C2' B6' 107.48(13) . . . . ?
B5' C1' C2' B6' 38.62(12) . . . . ?
Co1 C1' C2' B6' 160.07(10) . . . . ?
B4' C1' C2' Co1 -52.59(10) . . . . ?
B5' C1' C2' Co1 -121.45(11) . . . . ?
B6' C1' C2' Co1 -160.07(10) . . . . ?
C2' C1' B4' B9' -64.89(14) . . . . ?
B5' C1' B4' B9' 39.13(11) . . . . ?
B6' C1' B4' B9' 2.10(16) . . . . ?
Co1 C1' B4' B9' -115.81(11) . . . . ?
C2' C1' B4' B8' -1.09(16) . . . . ?
B5' C1' B4' B8' 102.93(13) . . . . ?
B6' C1' B4' B8' 65.90(15) . . . . ?
Co1 C1' B4' B8' -52.00(10) . . . . ?
C2' C1' B4' B5' -104.01(13) . . . . ?
B6' C1' B4' B5' -37.03(12) . . . . ?
Co1 C1' B4' B5' -154.93(10) . . . . ?
C2' C1' B4' Co1 50.92(9) . . . . ?
B5' C1' B4' Co1 154.93(10) . . . . ?
B6' C1' B4' Co1 117.90(12) . . . . ?
C2' C1' B4' I2 157.44(10) . . . . ?
B5' C1' B4' I2 -98.55(13) . . . . ?
B6' C1' B4' I2 -135.58(12) . . . . ?
Co1 C1' B4' I2 106.52(11) . . . . ?
C2' C1' B5' B6' -38.35(12) . . . . ?
B4' C1' B5' B6' -141.66(13) . . . . ?
Co1 C1' B5' B6' -112.41(13) . . . . ?
C2' C1' B5' B10' 2.22(16) . . . . ?
B4' C1' B5' B10' -101.09(13) . . . . ?
B6' C1' B5' B10' 40.57(12) . . . . ?
Co1 C1' B5' B10' -71.84(15) . . . . ?
C2' C1' B5' B9' 64.52(15) . . . . ?
B4' C1' B5' B9' -38.79(11) . . . . ?
B6' C1' B5' B9' 102.87(13) . . . . ?
Co1 C1' B5' B9' -9.54(17) . . . . ?
C2' C1' B5' B4' 103.31(13) . . . . ?
B6' C1' B5' B4' 141.66(13) . . . . ?
Co1 C1' B5' B4' 29.25(12) . . . . ?
B9' B4' B5' C1' -135.12(13) . . . . ?
B8' B4' B5' C1' -98.13(13) . . . . ?
Co1 B4' B5' C1' -25.55(10) . . . . ?
I2 B4' B5' C1' 117.08(12) . . . . ?
C1' B4' B5' B6' 34.02(11) . . . . ?
B9' B4' B5' B6' -101.10(14) . . . . ?
B8' B4' B5' B6' -64.11(15) . . . . ?
Co1 B4' B5' B6' 8.47(16) . . . . ?
I2 B4' B5' B6' 151.10(11) . . . . ?
C1' B4' B5' B10' 97.19(13) . . . . ?
B9' B4' B5' B10' -37.94(12) . . . . ?
B8' B4' B5' B10' -0.94(16) . . . . ?
Co1 B4' B5' B10' 71.64(14) . . . . ?
I2 B4' B5' B10' -145.73(10) . . . . ?
C1' B4' B5' B9' 135.12(13) . . . . ?
B8' B4' B5' B9' 36.99(12) . . . . ?
Co1 B4' B5' B9' 109.58(12) . . . . ?
I2 B4' B5' B9' -107.79(12) . . . . ?
B11' C2' B6' C1' 138.21(13) . . . . ?
B7' C2' B6' C1' 101.90(13) . . . . ?
Co1 C2' B6' C1' 22.67(12) . . . . ?
C1' C2' B6' B5' -35.58(11) . . . . ?
B11' C2' B6' B5' 102.63(13) . . . . ?
B7' C2' B6' B5' 66.33(16) . . . . ?
Co1 C2' B6' B5' -12.91(17) . . . . ?
C1' C2' B6' B11' -138.21(13) . . . . ?
B7' C2' B6' B11' -36.31(12) . . . . ?
Co1 C2' B6' B11' -115.54(14) . . . . ?
C1' C2' B6' B10' -98.03(13) . . . . ?
B11' C2' B6' B10' 40.18(12) . . . . ?
B7' C2' B6' B10' 3.87(17) . . . . ?
Co1 C2' B6' B10' -75.36(15) . . . . ?
C1' C2' B6' Cs1A 175.3(3) . . . 1_655 ?
B11' C2' B6' Cs1A -46.5(3) . . . 1_655 ?
B7' C2' B6' Cs1A -82.8(3) . . . 1_655 ?
Co1 C2' B6' Cs1A -162.1(3) . . . 1_655 ?
C1' C2' B6' Cs1 173.38(17) . . . 1_655 ?
B11' C2' B6' Cs1 -48.42(15) . . . 1_655 ?
B7' C2' B6' Cs1 -84.72(18) . . . 1_655 ?
Co1 C2' B6' Cs1 -163.96(9) . . . 1_655 ?
B4' C1' B6' C2' -100.98(13) . . . . ?
B5' C1' B6' C2' -138.71(13) . . . . ?
Co1 C1' B6' C2' -21.73(11) . . . . ?
C2' C1' B6' B5' 138.71(13) . . . . ?
B4' C1' B6' B5' 37.73(12) . . . . ?
Co1 C1' B6' B5' 116.98(13) . . . . ?
C2' C1' B6' B11' 35.84(11) . . . . ?
B4' C1' B6' B11' -65.15(15) . . . . ?
B5' C1' B6' B11' -102.88(13) . . . . ?
Co1 C1' B6' B11' 14.11(16) . . . . ?
C2' C1' B6' B10' 98.18(13) . . . . ?
B4' C1' B6' B10' -2.81(16) . . . . ?
B5' C1' B6' B10' -40.54(12) . . . . ?
Co1 C1' B6' B10' 76.44(14) . . . . ?
C2' C1' B6' Cs1A -168.0(7) . . . 1_655 ?
B4' C1' B6' Cs1A 91.0(7) . . . 1_655 ?
B5' C1' B6' Cs1A 53.3(7) . . . 1_655 ?
Co1 C1' B6' Cs1A 170.3(6) . . . 1_655 ?
C2' C1' B6' Cs1 -166.0(4) . . . 1_655 ?
B4' C1' B6' Cs1 93.0(3) . . . 1_655 ?
B5' C1' B6' Cs1 55.3(3) . . . 1_655 ?
Co1 C1' B6' Cs1 172.3(3) . . . 1_655 ?
C1' B5' B6' C2' 34.91(11) . . . . ?
B10' B5' B6' C2' -98.61(13) . . . . ?
B9' B5' B6' C2' -61.08(15) . . . . ?
B4' B5' B6' C2' 1.65(16) . . . . ?
B10' B5' B6' C1' -133.53(13) . . . . ?
B9' B5' B6' C1' -96.00(13) . . . . ?
B4' B5' B6' C1' -33.26(11) . . . . ?
C1' B5' B6' B11' 95.92(13) . . . . ?
B10' B5' B6' B11' -37.60(12) . . . . ?
B9' B5' B6' B11' -0.07(16) . . . . ?
B4' B5' B6' B11' 62.66(15) . . . . ?
C1' B5' B6' B10' 133.53(13) . . . . ?
B9' B5' B6' B10' 37.53(12) . . . . ?
B4' B5' B6' B10' 100.26(13) . . . . ?
C1' B5' B6' Cs1A -166.7(3) . . . 1_655 ?
B10' B5' B6' Cs1A 59.7(3) . . . 1_655 ?
B9' B5' B6' Cs1A 97.3(3) . . . 1_655 ?
B4' B5' B6' Cs1A 160.0(3) . . . 1_655 ?
C1' B5' B6' Cs1 -164.45(11) . . . 1_655 ?
B10' B5' B6' Cs1 62.03(10) . . . 1_655 ?
B9' B5' B6' Cs1 99.56(12) . . . 1_655 ?
B4' B5' B6' Cs1 162.29(9) . . . 1_655 ?
C1' C2' B7' B12' 63.75(14) . . . . ?
B11' C2' B7' B12' -39.75(11) . . . . ?
B6' C2' B7' B12' -3.89(16) . . . . ?
Co1 C2' B7' B12' 115.90(11) . . . . ?
C1' C2' B7' B11' 103.50(13) . . . . ?
B6' C2' B7' B11' 35.85(12) . . . . ?
Co1 C2' B7' B11' 155.65(10) . . . . ?
C1' C2' B7' B8' 1.60(16) . . . . ?
B11' C2' B7' B8' -101.90(13) . . . . ?
B6' C2' B7' B8' -66.05(15) . . . . ?
Co1 C2' B7' B8' 53.75(9) . . . . ?
C1' C2' B7' Co1 -52.15(10) . . . . ?
B11' C2' B7' Co1 -155.65(10) . . . . ?
B6' C2' B7' Co1 -119.80(12) . . . . ?
C1' C2' B7' Cs1A -143.4(9) . . . . ?
B11' C2' B7' Cs1A 113.1(9) . . . . ?
B6' C2' B7' Cs1A 148.9(8) . . . . ?
Co1 C2' B7' Cs1A -91.3(9) . . . . ?
C1' B4' B8' B12' -60.47(15) . . . . ?
B9' B4' B8' B12' 37.82(12) . . . . ?
B5' B4' B8' B12' 1.42(16) . . . . ?
Co1 B4' B8' B12' -111.31(11) . . . . ?
I2 B4' B8' B12' 141.19(11) . . . . ?
C1' B4' B8' B7' 2.01(15) . . . . ?
B9' B4' B8' B7' 100.30(13) . . . . ?
B5' B4' B8' B7' 63.90(15) . . . . ?
Co1 B4' B8' B7' -48.83(9) . . . . ?
I2 B4' B8' B7' -156.33(11) . . . . ?
C1' B4' B8' B9' -98.29(13) . . . . ?
B5' B4' B8' B9' -36.40(12) . . . . ?
Co1 B4' B8' B9' -149.13(10) . . . . ?
I2 B4' B8' B9' 103.37(13) . . . . ?
C1' B4' B8' Co1 50.84(9) . . . . ?
B9' B4' B8' Co1 149.13(10) . . . . ?
B5' B4' B8' Co1 112.73(11) . . . . ?
I2 B4' B8' Co1 -107.50(11) . . . . ?
C2' B7' B8' B4' -2.17(15) . . . . ?
B12' B7' B8' B4' -99.85(13) . . . . ?
B11' B7' B8' B4' -62.87(15) . . . . ?
Co1 B7' B8' B4' 49.72(10) . . . . ?
Cs1 B7' B8' B4' 172.70(10) . . . . ?
Cs1A B7' B8' B4' 171.5(2) . . . . ?
C2' B7' B8' B12' 97.68(13) . . . . ?
B11' B7' B8' B12' 36.98(12) . . . . ?
Co1 B7' B8' B12' 149.57(11) . . . . ?
Cs1 B7' B8' B12' -87.45(9) . . . . ?
Cs1A B7' B8' B12' -88.7(2) . . . . ?
C2' B7' B8' B9' 60.00(15) . . . . ?
B12' B7' B8' B9' -37.68(12) . . . . ?
B11' B7' B8' B9' -0.70(16) . . . . ?
Co1 B7' B8' B9' 111.89(11) . . . . ?
Cs1 B7' B8' B9' -125.13(10) . . . . ?
Cs1A B7' B8' B9' -126.3(2) . . . . ?
C2' B7' B8' Co1 -51.89(9) . . . . ?
B12' B7' B8' Co1 -149.57(11) . . . . ?
B11' B7' B8' Co1 -112.59(11) . . . . ?
Cs1 B7' B8' Co1 122.98(6) . . . . ?
Cs1A B7' B8' Co1 121.78(19) . . . . ?
C2' B7' B8' Cs1 -174.87(11) . . . . ?
B12' B7' B8' Cs1 87.45(9) . . . . ?
B11' B7' B8' Cs1 124.43(11) . . . . ?
Co1 B7' B8' Cs1 -122.98(6) . . . . ?
C1' B4' B9' B5' -38.57(11) . . . . ?
B8' B4' B9' B5' -139.61(13) . . . . ?
Co1 B4' B9' B5' -107.01(12) . . . . ?
I2 B4' B9' B5' 103.10(12) . . . . ?
C1' B4' B9' B10' -0.48(16) . . . . ?
B8' B4' B9' B10' -101.51(13) . . . . ?
B5' B4' B9' B10' 38.10(12) . . . . ?
Co1 B4' B9' B10' -68.91(15) . . . . ?
I2 B4' B9' B10' 141.20(11) . . . . ?
C1' B4' B9' B12' 62.95(15) . . . . ?
B8' B4' B9' B12' -38.08(12) . . . . ?
B5' B4' B9' B12' 101.52(13) . . . . ?
Co1 B4' B9' B12' -5.49(16) . . . . ?
I2 B4' B9' B12' -155.38(10) . . . . ?
C1' B4' B9' B8' 101.03(12) . . . . ?
B5' B4' B9' B8' 139.61(13) . . . . ?
Co1 B4' B9' B8' 32.60(11) . . . . ?
I2 B4' B9' B8' -117.29(12) . . . . ?
C1' B5' B9' B4' 37.88(11) . . . . ?
B6' B5' B9' B4' 99.86(13) . . . . ?
B10' B5' B9' B4' 137.36(13) . . . . ?
C1' B5' B9' B10' -99.48(13) . . . . ?
B6' B5' B9' B10' -37.50(12) . . . . ?
B4' B5' B9' B10' -137.36(13) . . . . ?
C1' B5' B9' B12' -61.92(15) . . . . ?
B6' B5' B9' B12' 0.06(17) . . . . ?
B10' B5' B9' B12' 37.56(12) . . . . ?
B4' B5' B9' B12' -99.80(13) . . . . ?
C1' B5' B9' B8' 1.64(16) . . . . ?
B6' B5' B9' B8' 63.62(16) . . . . ?
B10' B5' B9' B8' 101.11(14) . . . . ?
B4' B5' B9' B8' -36.24(11) . . . . ?
B12' B8' B9' B4' -137.02(13) . . . . ?
B7' B8' B9' B4' -99.31(13) . . . . ?
Co1 B8' B9' B4' -31.31(10) . . . . ?
Cs1 B8' B9' B4' -175.71(13) . . . . ?
B4' B8' B9' B5' 36.76(12) . . . . ?
B12' B8' B9' B5' -100.27(14) . . . . ?
B7' B8' B9' B5' -62.56(15) . . . . ?
Co1 B8' B9' B5' 5.45(16) . . . . ?
Cs1 B8' B9' B5' -138.95(11) . . . . ?
B4' B8' B9' B10' 100.50(14) . . . . ?
B12' B8' B9' B10' -36.53(12) . . . . ?
B7' B8' B9' B10' 1.18(16) . . . . ?
Co1 B8' B9' B10' 69.19(15) . . . . ?
Cs1 B8' B9' B10' -75.21(15) . . . . ?
B4' B8' B9' B12' 137.02(13) . . . . ?
B7' B8' B9' B12' 37.71(12) . . . . ?
Co1 B8' B9' B12' 105.72(12) . . . . ?
Cs1 B8' B9' B12' -38.68(12) . . . . ?
C2' B6' B10' B11' -39.28(11) . . . . ?
C1' B6' B10' B11' -98.39(13) . . . . ?
B5' B6' B10' B11' -138.09(13) . . . . ?
Cs1A B6' B10' B11' 97.4(3) 1_655 . . . ?
Cs1 B6' B10' B11' 99.73(9) 1_655 . . . ?
C2' B6' B10' B5' 98.81(13) . . . . ?
C1' B6' B10' B5' 39.70(11) . . . . ?
B11' B6' B10' B5' 138.09(13) . . . . ?
Cs1A B6' B10' B5' -124.5(3) 1_655 . . . ?
Cs1 B6' B10' B5' -122.19(9) 1_655 . . . ?
C2' B6' B10' B9' 61.41(15) . . . . ?
C1' B6' B10' B9' 2.30(16) . . . . ?
B5' B6' B10' B9' -37.40(12) . . . . ?
B11' B6' B10' B9' 100.69(14) . . . . ?
Cs1A B6' B10' B9' -161.9(3) 1_655 . . . ?
Cs1 B6' B10' B9' -159.58(12) 1_655 . . . ?
C2' B6' B10' B12' -2.12(16) . . . . ?
C1' B6' B10' B12' -61.23(15) . . . . ?
B5' B6' B10' B12' -100.93(14) . . . . ?
B11' B6' B10' B12' 37.16(12) . . . . ?
Cs1A B6' B10' B12' 134.6(3) 1_655 . . . ?
Cs1 B6' B10' B12' 136.89(11) 1_655 . . . ?
C2' B6' B10' Cs1A -136.7(3) . . . 1_655 ?
C1' B6' B10' Cs1A 164.2(3) . . . 1_655 ?
B5' B6' B10' Cs1A 124.5(3) . . . 1_655 ?
B11' B6' B10' Cs1A -97.4(3) . . . 1_655 ?
C2' B6' B10' Cs1 -139.01(11) . . . 1_655 ?
C1' B6' B10' Cs1 161.88(11) . . . 1_655 ?
B5' B6' B10' Cs1 122.19(9) . . . 1_655 ?
B11' B6' B10' Cs1 -99.73(9) . . . 1_655 ?
C1' B5' B10' B6' -40.28(11) . . . . ?
B9' B5' B10' B6' -138.07(13) . . . . ?
B4' B5' B10' B6' -100.42(13) . . . . ?
C1' B5' B10' B11' -3.00(16) . . . . ?
B6' B5' B10' B11' 37.28(12) . . . . ?
B9' B5' B10' B11' -100.79(14) . . . . ?
B4' B5' B10' B11' -63.14(15) . . . . ?
C1' B5' B10' B9' 97.79(13) . . . . ?
B6' B5' B10' B9' 138.07(13) . . . . ?
B4' B5' B10' B9' 37.65(12) . . . . ?
C1' B5' B10' B12' 60.22(15) . . . . ?
B6' B5' B10' B12' 100.50(14) . . . . ?
B9' B5' B10' B12' -37.57(12) . . . . ?
B4' B5' B10' B12' 0.08(16) . . . . ?
C1' B5' B10' Cs1A -98.3(2) . . . 1_655 ?
B6' B5' B10' Cs1A -58.0(2) . . . 1_655 ?
B9' B5' B10' Cs1A 163.9(2) . . . 1_655 ?
B4' B5' B10' Cs1A -158.4(2) . . . 1_655 ?
C1' B5' B10' Cs1 -99.73(11) . . . 1_655 ?
B6' B5' B10' Cs1 -59.45(9) . . . 1_655 ?
B9' B5' B10' Cs1 162.48(11) . . . 1_655 ?
B4' B5' B10' Cs1 -159.87(9) . . . 1_655 ?
B4' B9' B10' B6' -1.17(17) . . . . ?
B5' B9' B10' B6' 37.31(12) . . . . ?
B12' B9' B10' B6' -100.76(14) . . . . ?
B8' B9' B10' B6' -64.34(16) . . . . ?
B4' B9' B10' B11' 61.95(16) . . . . ?
B5' B9' B10' B11' 100.43(14) . . . . ?
B12' B9' B10' B11' -37.64(12) . . . . ?
B8' B9' B10' B11' -1.21(17) . . . . ?
B4' B9' B10' B5' -38.48(12) . . . . ?
B12' B9' B10' B5' -138.07(13) . . . . ?
B8' B9' B10' B5' -101.65(13) . . . . ?
B4' B9' B10' B12' 99.59(13) . . . . ?
B5' B9' B10' B12' 138.07(13) . . . . ?
B8' B9' B10' B12' 36.42(12) . . . . ?
B4' B9' B10' Cs1A -97.8(6) . . . 1_655 ?
B5' B9' B10' Cs1A -59.3(6) . . . 1_655 ?
B12' B9' B10' Cs1A 162.6(6) . . . 1_655 ?
B8' B9' B10' Cs1A -161.0(6) . . . 1_655 ?
B4' B9' B10' Cs1 -96.1(3) . . . 1_655 ?
B5' B9' B10' Cs1 -57.7(3) . . . 1_655 ?
B12' B9' B10' Cs1 164.3(3) . . . 1_655 ?
B8' B9' B10' Cs1 -159.3(3) . . . 1_655 ?
C1' C2' B11' B6' 38.88(12) . . . . ?
B7' C2' B11' B6' 143.19(13) . . . . ?
Co1 C2' B11' B6' 115.31(13) . . . . ?
C1' C2' B11' B10' -1.39(16) . . . . ?
B7' C2' B11' B10' 102.92(13) . . . . ?
B6' C2' B11' B10' -40.27(12) . . . . ?
Co1 C2' B11' B10' 75.04(15) . . . . ?
C1' C2' B11' B12' -64.15(15) . . . . ?
B7' C2' B11' B12' 40.16(12) . . . . ?
B6' C2' B11' B12' -103.03(13) . . . . ?
Co1 C2' B11' B12' 12.27(17) . . . . ?
C1' C2' B11' B7' -104.31(13) . . . . ?
B6' C2' B11' B7' -143.19(13) . . . . ?
Co1 C2' B11' B7' -27.88(12) . . . . ?
C1' B6' B11' C2' -35.24(11) . . . . ?
B5' B6' B11' C2' -96.34(13) . . . . ?
B10' B6' B11' C2' -133.97(13) . . . . ?
Cs1A B6' B11' C2' 150.93(17) 1_655 . . . ?
Cs1 B6' B11' C2' 151.29(10) 1_655 . . . ?
C2' B6' B11' B10' 133.97(13) . . . . ?
C1' B6' B11' B10' 98.72(13) . . . . ?
B5' B6' B11' B10' 37.62(12) . . . . ?
Cs1A B6' B11' B10' -75.11(17) 1_655 . . . ?
Cs1 B6' B11' B10' -74.75(9) 1_655 . . . ?
C2' B6' B11' B12' 96.41(13) . . . . ?
C1' B6' B11' B12' 61.16(15) . . . . ?
B5' B6' B11' B12' 0.06(16) . . . . ?
B10' B6' B11' B12' -37.56(12) . . . . ?
Cs1A B6' B11' B12' -112.67(18) 1_655 . . . ?
Cs1 B6' B11' B12' -112.31(11) 1_655 . . . ?
C2' B6' B11' B7' 32.65(12) . . . . ?
C1' B6' B11' B7' -2.60(16) . . . . ?
B5' B6' B11' B7' -63.70(16) . . . . ?
B10' B6' B11' B7' -101.32(14) . . . . ?
Cs1A B6' B11' B7' -176.43(18) 1_655 . . . ?
Cs1 B6' B11' B7' -176.07(10) 1_655 . . . ?
B6' B10' B11' C2' 39.97(12) . . . . ?
B5' B10' B11' C2' 2.71(16) . . . . ?
B9' B10' B11' C2' -60.57(16) . . . . ?
B12' B10' B11' C2' -98.35(13) . . . . ?
Cs1A B10' B11' C2' 113.4(2) 1_655 . . . ?
Cs1 B10' B11' C2' 112.18(10) 1_655 . . . ?
B5' B10' B11' B6' -37.26(12) . . . . ?
B9' B10' B11' B6' -100.54(14) . . . . ?
B12' B10' B11' B6' -138.32(13) . . . . ?
Cs1A B10' B11' B6' 73.45(19) 1_655 . . . ?
Cs1 B10' B11' B6' 72.21(8) 1_655 . . . ?
B6' B10' B11' B12' 138.32(13) . . . . ?
B5' B10' B11' B12' 101.05(14) . . . . ?
B9' B10' B11' B12' 37.77(12) . . . . ?
Cs1A B10' B11' B12' -148.2(2) 1_655 . . . ?
Cs1 B10' B11' B12' -149.48(10) 1_655 . . . ?
B6' B10' B11' B7' 101.31(14) . . . . ?
B5' B10' B11' B7' 64.05(16) . . . . ?
B9' B10' B11' B7' 0.77(17) . . . . ?
B12' B10' B11' B7' -37.00(12) . . . . ?
Cs1A B10' B11' B7' 174.8(2) 1_655 . . . ?
Cs1 B10' B11' B7' 173.52(11) 1_655 . . . ?
B12' B7' B11' C2' 133.94(13) . . . . ?
B8' B7' B11' C2' 96.75(13) . . . . ?
Co1 B7' B11' C2' 24.51(10) . . . . ?
Cs1 B7' B11' C2' -168.80(13) . . . . ?
Cs1A B7' B11' C2' -167.5(2) . . . . ?
C2' B7' B11' B6' -33.01(12) . . . . ?
B12' B7' B11' B6' 100.93(14) . . . . ?
B8' B7' B11' B6' 63.74(16) . . . . ?
Co1 B7' B11' B6' -8.50(17) . . . . ?
Cs1 B7' B11' B6' 158.19(10) . . . . ?
Cs1A B7' B11' B6' 159.5(2) . . . . ?
C2' B7' B11' B10' -96.79(14) . . . . ?
B12' B7' B11' B10' 37.15(12) . . . . ?
B8' B7' B11' B10' -0.04(17) . . . . ?
Co1 B7' B11' B10' -72.28(15) . . . . ?
Cs1 B7' B11' B10' 94.41(13) . . . . ?
Cs1A B7' B11' B10' 95.7(2) . . . . ?
C2' B7' B11' B12' -133.94(13) . . . . ?
B8' B7' B11' B12' -37.19(12) . . . . ?
Co1 B7' B11' B12' -109.43(13) . . . . ?
Cs1 B7' B11' B12' 57.26(12) . . . . ?
Cs1A B7' B11' B12' 58.6(2) . . . . ?
C2' B11' B12' B7' -39.37(11) . . . . ?
B6' B11' B12' B7' -101.50(13) . . . . ?
B10' B11' B12' B7' -138.89(13) . . . . ?
C2' B11' B12' B10' 99.53(13) . . . . ?
B6' B11' B12' B10' 37.39(12) . . . . ?
B7' B11' B12' B10' 138.89(13) . . . . ?
C2' B11' B12' B9' 62.11(15) . . . . ?
B6' B11' B12' B9' -0.03(16) . . . . ?
B10' B11' B12' B9' -37.41(12) . . . . ?
B7' B11' B12' B9' 101.48(13) . . . . ?
C2' B11' B12' B8' -1.81(16) . . . . ?
B6' B11' B12' B8' -63.95(16) . . . . ?
B10' B11' B12' B8' -101.34(14) . . . . ?
B7' B11' B12' B8' 37.55(12) . . . . ?
C2' B11' B12' Cs1 -84.13(12) . . . . ?
B6' B11' B12' Cs1 -146.27(10) . . . . ?
B10' B11' B12' Cs1 176.34(11) . . . . ?
B7' B11' B12' Cs1 -44.77(9) . . . . ?
C2' B7' B12' B11' 39.02(11) . . . . ?
B8' B7' B12' B11' 138.34(13) . . . . ?
Co1 B7' B12' B11' 106.20(13) . . . . ?
Cs1 B7' B12' B11' -136.01(9) . . . . ?
Cs1A B7' B12' B11' -135.94(15) . . . . ?
C2' B7' B12' B10' 2.26(15) . . . . ?
B11' B7' B12' B10' -36.76(12) . . . . ?
B8' B7' B12' B10' 101.58(13) . . . . ?
Co1 B7' B12' B10' 69.44(15) . . . . ?
Cs1 B7' B12' B10' -172.77(11) . . . . ?
Cs1A B7' B12' B10' -172.70(16) . . . . ?
C2' B7' B12' B9' -60.93(15) . . . . ?
B11' B7' B12' B9' -99.95(14) . . . . ?
B8' B7' B12' B9' 38.39(12) . . . . ?
Co1 B7' B12' B9' 6.25(17) . . . . ?
Cs1 B7' B12' B9' 124.04(11) . . . . ?
Cs1A B7' B12' B9' 124.10(16) . . . . ?
C2' B7' B12' B8' -99.32(12) . . . . ?
B11' B7' B12' B8' -138.34(13) . . . . ?
Co1 B7' B12' B8' -32.14(11) . . . . ?
Cs1 B7' B12' B8' 85.65(9) . . . . ?
Cs1A B7' B12' B8' 85.71(14) . . . . ?
C2' B7' B12' Cs1 175.03(11) . . . . ?
B11' B7' B12' Cs1 136.01(9) . . . . ?
B8' B7' B12' Cs1 -85.65(9) . . . . ?
Co1 B7' B12' Cs1 -117.79(11) . . . . ?
B6' B10' B12' B11' -37.13(12) . . . . ?
B5' B10' B12' B11' -100.29(14) . . . . ?
B9' B10' B12' B11' -137.76(13) . . . . ?
Cs1A B10' B12' B11' 49.8(3) 1_655 . . . ?
Cs1 B10' B12' B11' 50.21(15) 1_655 . . . ?
B6' B10' B12' B7' -0.09(17) . . . . ?
B11' B10' B12' B7' 37.05(12) . . . . ?
B5' B10' B12' B7' -63.24(15) . . . . ?
B9' B10' B12' B7' -100.72(13) . . . . ?
Cs1A B10' B12' B7' 86.8(3) 1_655 . . . ?
Cs1 B10' B12' B7' 87.26(17) 1_655 . . . ?
B6' B10' B12' B9' 100.63(14) . . . . ?
B11' B10' B12' B9' 137.76(13) . . . . ?
B5' B10' B12' B9' 37.48(12) . . . . ?
Cs1A B10' B12' B9' -172.5(3) 1_655 . . . ?
Cs1 B10' B12' B9' -172.03(17) 1_655 . . . ?
B6' B10' B12' B8' 63.95(16) . . . . ?
B11' B10' B12' B8' 101.08(14) . . . . ?
B5' B10' B12' B8' 0.80(17) . . . . ?
B9' B10' B12' B8' -36.68(12) . . . . ?
Cs1A B10' B12' B8' 150.9(2) 1_655 . . . ?
Cs1 B10' B12' B8' 151.29(12) 1_655 . . . ?
B4' B9' B12' B11' -64.10(15) . . . . ?
B5' B9' B12' B11' -0.02(16) . . . . ?
B10' B9' B12' B11' 37.44(12) . . . . ?
B8' B9' B12' B11' -102.03(13) . . . . ?
B4' B9' B12' B7' -0.38(16) . . . . ?
B5' B9' B12' B7' 63.70(16) . . . . ?
B10' B9' B12' B7' 101.16(14) . . . . ?
B8' B9' B12' B7' -38.32(12) . . . . ?
B4' B9' B12' B10' -101.54(13) . . . . ?
B5' B9' B12' B10' -37.46(12) . . . . ?
B8' B9' B12' B10' -139.47(13) . . . . ?
B4' B9' B12' B8' 37.93(12) . . . . ?
B5' B9' B12' B8' 102.02(13) . . . . ?
B10' B9' B12' B8' 139.47(13) . . . . ?
B4' B9' B12' Cs1 75.92(15) . . . . ?
B5' B9' B12' Cs1 140.00(11) . . . . ?
B10' B9' B12' Cs1 177.46(14) . . . . ?
B8' B9' B12' Cs1 37.99(12) . . . . ?
B4' B8' B12' B11' 62.06(15) . . . . ?
B7' B8' B12' B11' -37.57(12) . . . . ?
B9' B8' B12' B11' 99.74(14) . . . . ?
Co1 B8' B12' B11' -7.41(16) . . . . ?
Cs1 B8' B12' B11' -110.47(11) . . . . ?
B4' B8' B12' B7' 99.63(13) . . . . ?
B9' B8' B12' B7' 137.32(13) . . . . ?
Co1 B8' B12' B7' 30.16(10) . . . . ?
Cs1 B8' B12' B7' -72.90(8) . . . . ?
B4' B8' B12' B10' -1.36(16) . . . . ?
B7' B8' B12' B10' -100.99(14) . . . . ?
B9' B8' B12' B10' 36.33(12) . . . . ?
Co1 B8' B12' B10' -70.83(15) . . . . ?
Cs1 B8' B12' B10' -173.89(12) . . . . ?
B4' B8' B12' B9' -37.68(12) . . . . ?
B7' B8' B12' B9' -137.32(13) . . . . ?
Co1 B8' B12' B9' -107.16(12) . . . . ?
Cs1 B8' B12' B9' 149.79(10) . . . . ?
B4' B8' B12' Cs1 172.53(11) . . . . ?
B7' B8' B12' Cs1 72.90(8) . . . . ?
B9' B8' B12' Cs1 -149.79(10) . . . . ?
Co1 B8' B12' Cs1 103.06(9) . . . . ?

_refine_diff_density_max         0.712
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.078

_shelxl_version_number           2014/6



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_siv35
_database_code_depnum_ccdc_archive 'CCDC 2053198'
loop_
_audit_author_name
_audit_author_address
'Kyrill Yu.  Suponitsky'
;A N Nesmeyanov Institute of Organoelement Compounds, Moscow, Russia
Russia
;
_audit_update_record             
;
2020-12-30 deposited with the CCDC.	2021-01-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H34 B18 Co O4 -, K +, C H2 Cl2, C3 H6 O'
_chemical_formula_sum            'C14 H42 B18 Cl2 Co K O5'
_chemical_formula_weight         653.98

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.3335(2)
_cell_length_b                   35.5869(7)
_cell_length_c                   9.6373(2)
_cell_angle_alpha                90
_cell_angle_beta                 115.3420(10)
_cell_angle_gamma                90
_cell_volume                     3202.95(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9925
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      26.22

_exptl_crystal_description       prizm
_exptl_crystal_colour            orange-red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_F_000             1344
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    0.860
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_T_max  0.887
_exptl_absorpt_process_details   'SADABS-2014/5 (Bruker,2014/5)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            109882
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.181
_diffrn_reflns_theta_max         27.228
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             7134
_reflns_number_gt                5820
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_publication_material  
'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0484P)²+5.5639P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7134
_refine_ls_number_parameters     454
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1251
_refine_ls_wR_factor_gt          0.1159
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.01630(3) 0.12866(2) 0.35113(4) 0.01292(10) Uani 1 1 d . . . . .
K1 K 0.51758(6) 0.13207(2) 0.36321(7) 0.02389(15) Uani 1 1 d . . . . .
O1 O -0.18702(18) 0.12154(5) 0.5047(2) 0.0173(4) Uani 1 1 d . . . . .
O2 O -0.36729(19) 0.07829(5) 0.5991(2) 0.0236(4) Uani 1 1 d . . . . .
C3 C -0.1470(3) 0.11055(8) 0.6602(3) 0.0214(6) Uani 1 1 d . . . . .
H3A H -0.1777 0.1300 0.7132 0.026 Uiso 1 1 calc R U . . .
H3B H -0.0415 0.1081 0.7144 0.026 Uiso 1 1 calc R U . . .
C4 C -0.2156(3) 0.07378(8) 0.6645(3) 0.0218(6) Uani 1 1 d . . . . .
H4A H -0.1898 0.0547 0.6059 0.026 Uiso 1 1 calc R U . . .
H4B H -0.1805 0.0650 0.7720 0.026 Uiso 1 1 calc R U . . .
C5 C -0.4324(3) 0.04534(9) 0.6248(4) 0.0344(7) Uani 1 1 d . . . . .
H5A H -0.5368 0.0483 0.5764 0.052 Uiso 1 1 calc R U . . .
H5B H -0.3993 0.0415 0.7354 0.052 Uiso 1 1 calc R U . . .
H5C H -0.4060 0.0236 0.5801 0.052 Uiso 1 1 calc R U . . .
C1 C 0.1385(3) 0.17434(7) 0.4404(3) 0.0157(5) Uani 1 1 d . . . . .
C2 C -0.0017(3) 0.18207(7) 0.2774(3) 0.0150(5) Uani 1 1 d . . . . .
B4 B 0.0904(3) 0.15334(8) 0.5704(3) 0.0159(6) Uani 1 1 d . . . . .
B5 B 0.1357(3) 0.20226(8) 0.5815(3) 0.0176(6) Uani 1 1 d . . . . .
B6 B 0.0800(3) 0.21995(8) 0.3931(3) 0.0182(6) Uani 1 1 d . . . . .
B7 B -0.1559(3) 0.16685(8) 0.2837(3) 0.0154(5) Uani 1 1 d . . . . .
B8 B -0.1022(3) 0.14915(8) 0.4744(3) 0.0154(6) Uani 1 1 d . . . . .
B9 B -0.0191(3) 0.18772(9) 0.6036(3) 0.0176(6) Uani 1 1 d . . . . .
B10 B -0.0254(3) 0.22877(8) 0.4934(3) 0.0181(6) Uani 1 1 d . . . . .
B11 B -0.1092(3) 0.21567(8) 0.2968(3) 0.0167(6) Uani 1 1 d . . . . .
B12 B -0.1709(3) 0.19626(8) 0.4267(3) 0.0168(6) Uani 1 1 d . . . . .
O1' O 0.22296(18) 0.13639(5) 0.20126(19) 0.0172(4) Uani 1 1 d . . . . .
O2' O 0.40422(19) 0.18260(5) 0.1146(2) 0.0239(4) Uani 1 1 d . . . . .
C3' C 0.1900(3) 0.14665(8) 0.0461(3) 0.0233(6) Uani 1 1 d . . . . .
H3'A H 0.0848 0.1473 -0.0148 0.028 Uiso 1 1 calc R U . . .
H3'B H 0.2297 0.1276 0.0000 0.028 Uiso 1 1 calc R U . . .
C4' C 0.2519(3) 0.18429(8) 0.0417(3) 0.0245(6) Uani 1 1 d . . . . .
H4'A H 0.2194 0.1924 -0.0662 0.029 Uiso 1 1 calc R U . . .
H4'B H 0.2178 0.2029 0.0948 0.029 Uiso 1 1 calc R U . . .
C5' C 0.4634(3) 0.21769(9) 0.1009(4) 0.0337(7) Uani 1 1 d . . . . .
H5'A H 0.4275 0.2244 -0.0079 0.051 Uiso 1 1 calc R U . . .
H5'B H 0.5680 0.2157 0.1461 0.051 Uiso 1 1 calc R U . . .
H5'C H 0.4355 0.2371 0.1549 0.051 Uiso 1 1 calc R U . . .
C1' C 0.0322(3) 0.07467(7) 0.4219(3) 0.0176(5) Uani 1 1 d . . . . .
C2' C -0.1056(3) 0.08276(7) 0.2589(3) 0.0174(5) Uani 1 1 d . . . . .
B4' B 0.1867(3) 0.09017(8) 0.4190(3) 0.0173(6) Uani 1 1 d . . . . .
B5' B 0.1405(3) 0.04126(9) 0.4022(4) 0.0213(6) Uani 1 1 d . . . . .
B6' B -0.0475(4) 0.03695(9) 0.3031(4) 0.0218(6) Uani 1 1 d . . . . .
B7' B -0.0557(3) 0.10474(8) 0.1312(3) 0.0155(6) Uani 1 1 d . . . . .
B8' B 0.1369(3) 0.10875(8) 0.2294(3) 0.0154(5) Uani 1 1 d . . . . .
B9' B 0.2046(3) 0.06150(9) 0.2766(3) 0.0192(6) Uani 1 1 d . . . . .
B10' B 0.0598(3) 0.02894(9) 0.2038(4) 0.0216(6) Uani 1 1 d . . . . .
B11' B -0.1010(3) 0.05562(9) 0.1165(4) 0.0199(6) Uani 1 1 d . . . . .
B12' B 0.0549(3) 0.07048(8) 0.0983(3) 0.0181(6) Uani 1 1 d . . . . .
Cl1S Cl 0.52429(12) 0.04754(5) 0.15313(17) 0.0835(5) Uani 1 1 d . . . . .
Cl2S Cl 0.30708(17) 0.05999(4) -0.16100(16) 0.0798(4) Uani 1 1 d . . . . .
C1S C 0.3555(4) 0.03465(13) 0.0086(5) 0.0529(10) Uani 1 1 d . . . . .
H1SA H 0.3569 0.0075 -0.0139 0.063 Uiso 1 1 calc R U . . .
H1SB H 0.2820 0.0385 0.0475 0.063 Uiso 1 1 calc R U . . .
O1S O 0.5071(2) 0.17219(7) 0.5922(3) 0.0397(6) Uani 1 1 d . . . . .
C2S C 0.5638(3) 0.17114(9) 0.7322(4) 0.0282(6) Uani 1 1 d . . . . .
C3S C 0.5181(3) 0.14403(10) 0.8205(4) 0.0362(7) Uani 1 1 d . . . . .
H3SA H 0.4339 0.1301 0.7496 0.054 Uiso 1 1 calc R U . . .
H3SB H 0.4939 0.1578 0.8943 0.054 Uiso 1 1 calc R U . . .
H3SC H 0.5963 0.1264 0.8755 0.054 Uiso 1 1 calc R U . . .
C4S C 0.6852(4) 0.19697(10) 0.8233(4) 0.0408(8) Uani 1 1 d . . . . .
H4SA H 0.7186 0.2096 0.7542 0.061 Uiso 1 1 calc R U . . .
H4SB H 0.7639 0.1824 0.8998 0.061 Uiso 1 1 calc R U . . .
H4SC H 0.6525 0.2158 0.8755 0.061 Uiso 1 1 calc R U . . .
H1 H 0.224(3) 0.1701(8) 0.436(3) 0.016(7) Uiso 1 1 d . . . . .
H2 H 0.014(3) 0.1838(9) 0.201(4) 0.020(8) Uiso 1 1 d . . . . .
H4 H 0.166(3) 0.1367(8) 0.662(3) 0.016(7) Uiso 1 1 d . . . . .
H5 H 0.240(3) 0.2108(8) 0.667(3) 0.018(7) Uiso 1 1 d . . . . .
H6 H 0.147(3) 0.2379(8) 0.362(3) 0.015(7) Uiso 1 1 d . . . . .
H7 H -0.246(3) 0.1588(8) 0.182(3) 0.016(7) Uiso 1 1 d . . . . .
H9 H -0.018(3) 0.1892(9) 0.711(4) 0.025(8) Uiso 1 1 d . . . . .
H10 H -0.032(3) 0.2568(9) 0.536(4) 0.026(8) Uiso 1 1 d . . . . .
H11 H -0.169(3) 0.2345(8) 0.196(3) 0.021(8) Uiso 1 1 d . . . . .
H12 H -0.279(3) 0.2026(8) 0.423(3) 0.023(8) Uiso 1 1 d . . . . .
H1' H 0.016(3) 0.0730(8) 0.505(3) 0.012(7) Uiso 1 1 d . . . . .
H2' H -0.192(3) 0.0857(8) 0.262(3) 0.013(7) Uiso 1 1 d . . . . .
H4' H 0.274(3) 0.0974(8) 0.523(3) 0.022(8) Uiso 1 1 d . . . . .
H5' H 0.200(3) 0.0238(9) 0.499(4) 0.029(8) Uiso 1 1 d . . . . .
H6' H -0.113(3) 0.0184(8) 0.332(3) 0.015(7) Uiso 1 1 d . . . . .
H7' H -0.133(3) 0.1214(8) 0.041(3) 0.021(8) Uiso 1 1 d . . . . .
H9' H 0.307(3) 0.0542(8) 0.288(3) 0.021(8) Uiso 1 1 d . . . . .
H10' H 0.068(3) -0.0001(9) 0.166(4) 0.030(9) Uiso 1 1 d . . . . .
H11' H -0.205(3) 0.0475(9) 0.021(4) 0.027(8) Uiso 1 1 d . . . . .
H12' H 0.058(3) 0.0700(8) -0.013(3) 0.015(7) 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
Co1 C2 2.010(3) . ?
Co1 C1 2.012(3) . ?
Co1 C2' 2.022(3) . ?
Co1 C1' 2.022(3) . ?
Co1 B7' 2.102(3) . ?
Co1 B4' 2.102(3) . ?
Co1 B4 2.107(3) . ?
Co1 B7 2.108(3) . ?
Co1 B8' 2.165(3) . ?
Co1 B8 2.165(3) . ?
K1 O1S 2.669(2) . ?
K1 O1' 2.7677(18) . ?
K1 O1 2.7848(18) 1_655 ?
K1 O2 2.8161(19) 1_655 ?
K1 O2' 2.819(2) . ?
K1 C3' 3.494(3) . ?
K1 C3 3.507(3) 1_655 ?
K1 Cl1S 3.6430(14) . ?
O1 C3 1.428(3) . ?
O1 B8 1.428(3) . ?
O1 K1 2.7848(18) 1_455 ?
O2 C5 1.426(3) . ?
O2 C4 1.426(3) . ?
O2 K1 2.8161(19) 1_455 ?
C3 C4 1.497(4) . ?
C3 K1 3.507(3) 1_455 ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C1 C2 1.642(3) . ?
C1 B5 1.694(4) . ?
C1 B4 1.706(4) . ?
C1 B6 1.724(4) . ?
C1 H1 0.91(3) . ?
C2 B11 1.696(4) . ?
C2 B7 1.708(4) . ?
C2 B6 1.723(4) . ?
C2 H2 0.82(3) . ?
B4 B9 1.786(4) . ?
B4 B5 1.794(4) . ?
B4 B8 1.806(4) . ?
B4 H4 1.07(3) . ?
B5 B6 1.768(4) . ?
B5 B9 1.779(4) . ?
B5 B10 1.781(4) . ?
B5 H5 1.08(3) . ?
B6 B10 1.767(4) . ?
B6 B11 1.776(4) . ?
B6 H6 1.07(3) . ?
B7 B12 1.789(4) . ?
B7 B8 1.791(4) . ?
B7 B11 1.793(4) . ?
B7 H7 1.06(3) . ?
B8 B12 1.802(4) . ?
B8 B9 1.805(4) . ?
B9 B12 1.781(4) . ?
B9 B10 1.791(4) . ?
B9 H9 1.04(3) . ?
B10 B11 1.776(4) . ?
B10 B12 1.784(4) . ?
B10 H10 1.09(3) . ?
B11 B12 1.770(4) . ?
B11 H11 1.12(3) . ?
B12 H12 1.13(3) . ?
O1' B8' 1.427(3) . ?
O1' C3' 1.431(3) . ?
O2' C5' 1.421(4) . ?
O2' C4' 1.424(3) . ?
C3' C4' 1.493(4) . ?
C3' H3'A 0.9900 . ?
C3' H3'B 0.9900 . ?
C4' H4'A 0.9900 . ?
C4' H4'B 0.9900 . ?
C5' H5'A 0.9800 . ?
C5' H5'B 0.9800 . ?
C5' H5'C 0.9800 . ?
C1' C2' 1.632(4) . ?
C1' B5' 1.698(4) . ?
C1' B4' 1.701(4) . ?
C1' B6' 1.727(4) . ?
C1' H1' 0.88(3) . ?
C2' B11' 1.696(4) . ?
C2' B7' 1.713(4) . ?
C2' B6' 1.727(4) . ?
C2' H2' 0.91(3) . ?
B4' B9' 1.782(4) . ?
B4' B5' 1.794(4) . ?
B4' B8' 1.799(4) . ?
B4' H4' 1.05(3) . ?
B5' B9' 1.763(4) . ?
B5' B6' 1.767(5) . ?
B5' B10' 1.783(4) . ?
B5' H5' 1.07(3) . ?
B6' B11' 1.770(4) . ?
B6' B10' 1.771(4) . ?
B6' H6' 1.06(3) . ?
B7' B12' 1.790(4) . ?
B7' B11' 1.799(4) . ?
B7' B8' 1.807(4) . ?
B7' H7' 1.07(3) . ?
B8' B9' 1.803(4) . ?
B8' B12' 1.804(4) . ?
B9' B12' 1.782(4) . ?
B9' B10' 1.782(4) . ?
B9' H9' 1.06(3) . ?
B10' B11' 1.781(4) . ?
B10' B12' 1.783(4) . ?
B10' H10' 1.11(3) . ?
B11' B12' 1.774(4) . ?
B11' H11' 1.12(3) . ?
B12' H12' 1.09(3) . ?
Cl1S C1S 1.765(4) . ?
Cl2S C1S 1.742(5) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
O1S C2S 1.220(4) . ?
C2S C3S 1.490(5) . ?
C2S C4S 1.499(4) . ?
C3S H3SA 0.9800 . ?
C3S H3SB 0.9800 . ?
C3S H3SC 0.9800 . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 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
C2 Co1 C1 48.18(10) . . ?
C2 Co1 C2' 131.51(10) . . ?
C1 Co1 C2' 179.15(11) . . ?
C2 Co1 C1' 179.09(11) . . ?
C1 Co1 C1' 132.69(10) . . ?
C2' Co1 C1' 47.62(10) . . ?
C2 Co1 B7' 95.00(11) . . ?
C1 Co1 B7' 130.13(11) . . ?
C2' Co1 B7' 49.05(11) . . ?
C1' Co1 B7' 84.14(11) . . ?
C2 Co1 B4' 131.65(11) . . ?
C1 Co1 B4' 95.99(11) . . ?
C2' Co1 B4' 83.79(11) . . ?
C1' Co1 B4' 48.66(11) . . ?
B7' Co1 B4' 86.42(11) . . ?
C2 Co1 B4 84.23(11) . . ?
C1 Co1 B4 48.88(11) . . ?
C2' Co1 B4 131.93(11) . . ?
C1' Co1 B4 96.63(11) . . ?
B7' Co1 B4 179.01(12) . . ?
B4' Co1 B4 93.63(11) . . ?
C2 Co1 B7 48.95(11) . . ?
C1 Co1 B7 84.46(11) . . ?
C2' Co1 B7 95.77(11) . . ?
C1' Co1 B7 130.74(11) . . ?
B7' Co1 B7 93.58(11) . . ?
B4' Co1 B7 179.40(12) . . ?
B4 Co1 B7 86.38(11) . . ?
C2 Co1 B8' 96.05(11) . . ?
C1 Co1 B8' 95.41(11) . . ?
C2' Co1 B8' 83.82(11) . . ?
C1' Co1 B8' 83.64(11) . . ?
B7' Co1 B8' 50.08(11) . . ?
B4' Co1 B8' 49.85(11) . . ?
B4 Co1 B8' 129.35(11) . . ?
B7 Co1 B8' 130.52(11) . . ?
C2 Co1 B8 83.51(11) . . ?
C1 Co1 B8 83.82(11) . . ?
C2' Co1 B8 96.95(11) . . ?
C1' Co1 B8 96.81(11) . . ?
B7' Co1 B8 130.56(11) . . ?
B4' Co1 B8 130.10(11) . . ?
B4 Co1 B8 50.00(11) . . ?
B7 Co1 B8 49.54(11) . . ?
B8' Co1 B8 179.23(11) . . ?
O1S K1 O1' 90.72(6) . . ?
O1S K1 O1 95.21(6) . 1_655 ?
O1' K1 O1 173.85(6) . 1_655 ?
O1S K1 O2 81.29(7) . 1_655 ?
O1' K1 O2 118.40(6) . 1_655 ?
O1 K1 O2 61.15(5) 1_655 1_655 ?
O1S K1 O2' 102.26(7) . . ?
O1' K1 O2' 61.87(5) . . ?
O1 K1 O2' 118.15(6) 1_655 . ?
O2 K1 O2' 176.45(6) 1_655 . ?
O1S K1 C3' 106.06(7) . . ?
O1' K1 C3' 22.87(6) . . ?
O1 K1 C3' 153.74(6) 1_655 . ?
O2 K1 C3' 136.33(6) 1_655 . ?
O2' K1 C3' 42.89(6) . . ?
O1S K1 C3 79.50(7) . 1_655 ?
O1' K1 C3 159.51(6) . 1_655 ?
O1 K1 C3 22.72(5) 1_655 1_655 ?
O2 K1 C3 42.64(6) 1_655 1_655 ?
O2' K1 C3 137.64(6) . 1_655 ?
C3' K1 C3 174.37(7) . 1_655 ?
O1S K1 Cl1S 156.68(7) . . ?
O1' K1 Cl1S 90.60(4) . . ?
O1 K1 Cl1S 83.30(4) 1_655 . ?
O2 K1 Cl1S 77.63(5) 1_655 . ?
O2' K1 Cl1S 98.87(5) . . ?
C3' K1 Cl1S 83.02(6) . . ?
C3 K1 Cl1S 91.49(5) 1_655 . ?
C3 O1 B8 118.4(2) . . ?
C3 O1 K1 108.38(14) . 1_455 ?
B8 O1 K1 116.58(15) . 1_455 ?
C5 O2 C4 110.0(2) . . ?
C5 O2 K1 129.14(16) . 1_455 ?
C4 O2 K1 115.95(14) . 1_455 ?
O1 C3 C4 109.9(2) . . ?
O1 C3 K1 48.89(11) . 1_455 ?
C4 C3 K1 84.20(15) . 1_455 ?
O1 C3 H3A 109.7 . . ?
C4 C3 H3A 109.7 . . ?
K1 C3 H3A 81.1 1_455 . ?
O1 C3 H3B 109.7 . . ?
C4 C3 H3B 109.7 . . ?
K1 C3 H3B 158.4 1_455 . ?
H3A C3 H3B 108.2 . . ?
O2 C4 C3 109.5(2) . . ?
O2 C4 H4A 109.8 . . ?
C3 C4 H4A 109.8 . . ?
O2 C4 H4B 109.8 . . ?
C3 C4 H4B 109.8 . . ?
H4A C4 H4B 108.2 . . ?
O2 C5 H5A 109.5 . . ?
O2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
O2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2 C1 B5 111.0(2) . . ?
C2 C1 B4 111.15(19) . . ?
B5 C1 B4 63.70(17) . . ?
C2 C1 B6 61.53(16) . . ?
B5 C1 B6 62.30(17) . . ?
B4 C1 B6 115.3(2) . . ?
C2 C1 Co1 65.85(12) . . ?
B5 C1 Co1 126.42(17) . . ?
B4 C1 Co1 68.47(13) . . ?
B6 C1 Co1 124.25(17) . . ?
C2 C1 H1 117.4(18) . . ?
B5 C1 H1 118.6(18) . . ?
B4 C1 H1 123.5(18) . . ?
B6 C1 H1 112.3(18) . . ?
Co1 C1 H1 106.9(18) . . ?
C1 C2 B11 111.4(2) . . ?
C1 C2 B7 111.6(2) . . ?
B11 C2 B7 63.57(17) . . ?
C1 C2 B6 61.59(16) . . ?
B11 C2 B6 62.60(17) . . ?
B7 C2 B6 115.5(2) . . ?
C1 C2 Co1 65.97(12) . . ?
B11 C2 Co1 126.42(18) . . ?
B7 C2 Co1 68.53(13) . . ?
B6 C2 Co1 124.43(17) . . ?
C1 C2 H2 116(2) . . ?
B11 C2 H2 116(2) . . ?
B7 C2 H2 127(2) . . ?
B6 C2 H2 107(2) . . ?
Co1 C2 H2 111(2) . . ?
C1 B4 B9 103.8(2) . . ?
C1 B4 B5 57.83(15) . . ?
B9 B4 B5 59.59(16) . . ?
C1 B4 B8 105.27(19) . . ?
B9 B4 B8 60.34(16) . . ?
B5 B4 B8 108.2(2) . . ?
C1 B4 Co1 62.65(12) . . ?
B9 B4 Co1 118.65(17) . . ?
B5 B4 Co1 115.94(17) . . ?
B8 B4 Co1 66.66(13) . . ?
C1 B4 H4 120.4(16) . . ?
B9 B4 H4 121.8(15) . . ?
B5 B4 H4 114.0(15) . . ?
B8 B4 H4 129.2(15) . . ?
Co1 B4 H4 114.7(15) . . ?
C1 B5 B6 59.67(16) . . ?
C1 B5 B9 104.5(2) . . ?
B6 B5 B9 108.2(2) . . ?
C1 B5 B10 105.2(2) . . ?
B6 B5 B10 59.71(17) . . ?
B9 B5 B10 60.39(17) . . ?
C1 B5 B4 58.48(16) . . ?
B6 B5 B4 108.8(2) . . ?
B9 B5 B4 59.95(16) . . ?
B10 B5 B4 108.6(2) . . ?
C1 B5 H5 114.9(15) . . ?
B6 B5 H5 117.4(15) . . ?
B9 B5 H5 130.1(15) . . ?
B10 B5 H5 129.5(16) . . ?
B4 B5 H5 117.9(16) . . ?
C2 B6 C1 56.89(15) . . ?
C2 B6 B10 104.3(2) . . ?
C1 B6 B10 104.6(2) . . ?
C2 B6 B5 103.9(2) . . ?
C1 B6 B5 58.04(16) . . ?
B10 B6 B5 60.52(17) . . ?
C2 B6 B11 57.95(16) . . ?
C1 B6 B11 103.9(2) . . ?
B10 B6 B11 60.17(17) . . ?
B5 B6 B11 107.9(2) . . ?
C2 B6 H6 119.0(15) . . ?
C1 B6 H6 116.2(15) . . ?
B10 B6 H6 131.7(15) . . ?
B5 B6 H6 122.1(15) . . ?
B11 B6 H6 127.0(15) . . ?
C2 B7 B12 103.4(2) . . ?
C2 B7 B8 105.30(19) . . ?
B12 B7 B8 60.44(16) . . ?
C2 B7 B11 57.87(15) . . ?
B12 B7 B11 59.23(16) . . ?
B8 B7 B11 108.2(2) . . ?
C2 B7 Co1 62.52(12) . . ?
B12 B7 Co1 118.65(17) . . ?
B8 B7 Co1 66.86(13) . . ?
B11 B7 Co1 115.89(17) . . ?
C2 B7 H7 120.8(15) . . ?
B12 B7 H7 122.7(15) . . ?
B8 B7 H7 128.1(15) . . ?
B11 B7 H7 115.5(15) . . ?
Co1 B7 H7 113.5(15) . . ?
O1 B8 B7 120.3(2) . . ?
O1 B8 B12 118.9(2) . . ?
B7 B8 B12 59.72(16) . . ?
O1 B8 B9 122.3(2) . . ?
B7 B8 B9 106.7(2) . . ?
B12 B8 B9 59.17(16) . . ?
O1 B8 B4 126.2(2) . . ?
B7 B8 B4 106.65(19) . . ?
B12 B8 B4 106.3(2) . . ?
B9 B8 B4 59.27(16) . . ?
O1 B8 Co1 114.93(18) . . ?
B7 B8 Co1 63.59(13) . . ?
B12 B8 Co1 115.28(17) . . ?
B9 B8 Co1 114.91(16) . . ?
B4 B8 Co1 63.34(12) . . ?
B5 B9 B12 107.7(2) . . ?
B5 B9 B4 60.45(16) . . ?
B12 B9 B4 108.1(2) . . ?
B5 B9 B10 59.87(17) . . ?
B12 B9 B10 59.94(17) . . ?
B4 B9 B10 108.6(2) . . ?
B5 B9 B8 109.0(2) . . ?
B12 B9 B8 60.33(16) . . ?
B4 B9 B8 60.39(16) . . ?
B10 B9 B8 109.0(2) . . ?
B5 B9 H9 119.0(17) . . ?
B12 B9 H9 125.1(17) . . ?
B4 B9 H9 118.9(17) . . ?
B10 B9 H9 122.3(17) . . ?
B8 B9 H9 121.9(17) . . ?
B6 B10 B11 60.16(16) . . ?
B6 B10 B5 59.77(17) . . ?
B11 B10 B5 107.4(2) . . ?
B6 B10 B12 108.0(2) . . ?
B11 B10 B12 59.64(16) . . ?
B5 B10 B12 107.4(2) . . ?
B6 B10 B9 107.7(2) . . ?
B11 B10 B9 107.2(2) . . ?
B5 B10 B9 59.74(16) . . ?
B12 B10 B9 59.75(16) . . ?
B6 B10 H10 121.2(17) . . ?
B11 B10 H10 124.1(17) . . ?
B5 B10 H10 120.0(17) . . ?
B12 B10 H10 123.5(17) . . ?
B9 B10 H10 121.1(17) . . ?
C2 B11 B12 104.7(2) . . ?
C2 B11 B6 59.45(16) . . ?
B12 B11 B6 108.2(2) . . ?
C2 B11 B10 105.1(2) . . ?
B12 B11 B10 60.41(16) . . ?
B6 B11 B10 59.67(16) . . ?
C2 B11 B7 58.57(15) . . ?
B12 B11 B7 60.27(16) . . ?
B6 B11 B7 108.8(2) . . ?
B10 B11 B7 108.8(2) . . ?
C2 B11 H11 118.2(15) . . ?
B12 B11 H11 127.7(15) . . ?
B6 B11 H11 118.5(15) . . ?
B10 B11 H11 126.9(15) . . ?
B7 B11 H11 119.1(15) . . ?
B11 B12 B9 107.9(2) . . ?
B11 B12 B10 59.96(16) . . ?
B9 B12 B10 60.31(17) . . ?
B11 B12 B7 60.49(16) . . ?
B9 B12 B7 107.9(2) . . ?
B10 B12 B7 108.7(2) . . ?
B11 B12 B8 108.8(2) . . ?
B9 B12 B8 60.50(16) . . ?
B10 B12 B8 109.4(2) . . ?
B7 B12 B8 59.84(16) . . ?
B11 B12 H12 123.5(15) . . ?
B9 B12 H12 121.4(15) . . ?
B10 B12 H12 123.5(15) . . ?
B7 B12 H12 120.3(15) . . ?
B8 B12 H12 118.2(15) . . ?
B8' O1' C3' 119.0(2) . . ?
B8' O1' K1 118.61(15) . . ?
C3' O1' K1 108.41(14) . . ?
C5' O2' C4' 110.2(2) . . ?
C5' O2' K1 126.93(17) . . ?
C4' O2' K1 114.55(15) . . ?
O1' C3' C4' 110.2(2) . . ?
O1' C3' K1 48.72(11) . . ?
C4' C3' K1 83.78(15) . . ?
O1' C3' H3'A 109.6 . . ?
C4' C3' H3'A 109.6 . . ?
K1 C3' H3'A 158.3 . . ?
O1' C3' H3'B 109.6 . . ?
C4' C3' H3'B 109.6 . . ?
K1 C3' H3'B 81.9 . . ?
H3'A C3' H3'B 108.1 . . ?
O2' C4' C3' 110.2(2) . . ?
O2' C4' H4'A 109.6 . . ?
C3' C4' H4'A 109.6 . . ?
O2' C4' H4'B 109.6 . . ?
C3' C4' H4'B 109.6 . . ?
H4'A C4' H4'B 108.1 . . ?
O2' C5' H5'A 109.5 . . ?
O2' C5' H5'B 109.5 . . ?
H5'A C5' H5'B 109.5 . . ?
O2' C5' H5'C 109.5 . . ?
H5'A C5' H5'C 109.5 . . ?
H5'B C5' H5'C 109.5 . . ?
C2' C1' B5' 111.2(2) . . ?
C2' C1' B4' 111.4(2) . . ?
B5' C1' B4' 63.71(18) . . ?
C2' C1' B6' 61.78(17) . . ?
B5' C1' B6' 62.09(18) . . ?
B4' C1' B6' 115.2(2) . . ?
C2' C1' Co1 66.18(13) . . ?
B5' C1' Co1 126.16(18) . . ?
B4' C1' Co1 68.14(13) . . ?
B6' C1' Co1 124.62(18) . . ?
C2' C1' H1' 117.4(18) . . ?
B5' C1' H1' 116.0(18) . . ?
B4' C1' H1' 125.1(18) . . ?
B6' C1' H1' 109.0(18) . . ?
Co1 C1' H1' 110.6(18) . . ?
C1' C2' B11' 111.3(2) . . ?
C1' C2' B7' 111.4(2) . . ?
B11' C2' B7' 63.72(17) . . ?
C1' C2' B6' 61.82(17) . . ?
B11' C2' B6' 62.28(17) . . ?
B7' C2' B6' 115.4(2) . . ?
C1' C2' Co1 66.20(13) . . ?
B11' C2' Co1 126.00(18) . . ?
B7' C2' Co1 67.93(13) . . ?
B6' C2' Co1 124.67(18) . . ?
C1' C2' H2' 117.1(17) . . ?
B11' C2' H2' 117.1(18) . . ?
B7' C2' H2' 124.6(18) . . ?
B6' C2' H2' 110.1(18) . . ?
Co1 C2' H2' 109.3(18) . . ?
C1' B4' B9' 103.6(2) . . ?
C1' B4' B5' 58.08(17) . . ?
B9' B4' B5' 59.09(17) . . ?
C1' B4' B8' 105.88(19) . . ?
B9' B4' B8' 60.47(16) . . ?
B5' B4' B8' 108.4(2) . . ?
C1' B4' Co1 63.20(13) . . ?
B9' B4' Co1 118.87(18) . . ?
B5' B4' Co1 116.68(18) . . ?
B8' B4' Co1 66.88(13) . . ?
C1' B4' H4' 119.3(17) . . ?
B9' B4' H4' 123.0(16) . . ?
B5' B4' H4' 114.1(16) . . ?
B8' B4' H4' 129.3(16) . . ?
Co1 B4' H4' 113.5(16) . . ?
C1' B5' B9' 104.5(2) . . ?
C1' B5' B6' 59.76(17) . . ?
B9' B5' B6' 108.3(2) . . ?
C1' B5' B10' 105.3(2) . . ?
B9' B5' B10' 60.33(17) . . ?
B6' B5' B10' 59.85(18) . . ?
C1' B5' B4' 58.21(16) . . ?
B9' B5' B4' 60.12(17) . . ?
B6' B5' B4' 108.8(2) . . ?
B10' B5' B4' 108.6(2) . . ?
C1' B5' H5' 118.1(17) . . ?
B9' B5' H5' 126.2(17) . . ?
B6' B5' H5' 120.6(17) . . ?
B10' B5' H5' 128.4(17) . . ?
B4' B5' H5' 117.1(17) . . ?
C2' B6' C1' 56.40(15) . . ?
C2' B6' B5' 103.7(2) . . ?
C1' B6' B5' 58.15(17) . . ?
C2' B6' B11' 58.01(16) . . ?
C1' B6' B11' 103.6(2) . . ?
B5' B6' B11' 108.0(2) . . ?
C2' B6' B10' 104.5(2) . . ?
C1' B6' B10' 104.6(2) . . ?
B5' B6' B10' 60.54(18) . . ?
B11' B6' B10' 60.40(18) . . ?
C2' B6' H6' 117.4(15) . . ?
C1' B6' H6' 119.0(15) . . ?
B5' B6' H6' 125.8(15) . . ?
B11' B6' H6' 122.9(15) . . ?
B10' B6' H6' 131.0(15) . . ?
C2' B7' B12' 103.2(2) . . ?
C2' B7' B11' 57.66(16) . . ?
B12' B7' B11' 59.23(17) . . ?
C2' B7' B8' 105.25(19) . . ?
B12' B7' B8' 60.19(16) . . ?
B11' B7' B8' 108.0(2) . . ?
C2' B7' Co1 63.02(13) . . ?
B12' B7' Co1 118.52(17) . . ?
B11' B7' Co1 116.16(18) . . ?
B8' B7' Co1 66.75(13) . . ?
C2' B7' H7' 118.9(16) . . ?
B12' B7' H7' 123.0(16) . . ?
B11' B7' H7' 113.2(16) . . ?
B8' B7' H7' 130.8(16) . . ?
Co1 B7' H7' 114.3(16) . . ?
O1' B8' B4' 121.0(2) . . ?
O1' B8' B9' 119.0(2) . . ?
B4' B8' B9' 59.29(16) . . ?
O1' B8' B12' 122.1(2) . . ?
B4' B8' B12' 106.2(2) . . ?
B9' B8' B12' 59.20(16) . . ?
O1' B8' B7' 126.2(2) . . ?
B4' B8' B7' 105.94(19) . . ?
B9' B8' B7' 106.3(2) . . ?
B12' B8' B7' 59.45(16) . . ?
O1' B8' Co1 115.30(18) . . ?
B4' B8' Co1 63.27(13) . . ?
B9' B8' Co1 114.80(17) . . ?
B12' B8' Co1 114.83(17) . . ?
B7' B8' Co1 63.16(12) . . ?
B5' B9' B12' 108.0(2) . . ?
B5' B9' B4' 60.80(17) . . ?
B12' B9' B4' 107.9(2) . . ?
B5' B9' B10' 60.40(18) . . ?
B12' B9' B10' 60.03(17) . . ?
B4' B9' B10' 109.2(2) . . ?
B5' B9' B8' 109.6(2) . . ?
B12' B9' B8' 60.41(16) . . ?
B4' B9' B8' 60.24(16) . . ?
B10' B9' B8' 109.7(2) . . ?
B5' B9' H9' 119.3(16) . . ?
B12' B9' H9' 124.2(16) . . ?
B4' B9' H9' 119.8(16) . . ?
B10' B9' H9' 121.2(16) . . ?
B8' B9' H9' 121.4(16) . . ?
B6' B10' B11' 59.77(18) . . ?
B6' B10' B9' 107.3(2) . . ?
B11' B10' B9' 107.2(2) . . ?
B6' B10' B12' 107.7(2) . . ?
B11' B10' B12' 59.70(17) . . ?
B9' B10' B12' 59.97(17) . . ?
B6' B10' B5' 59.61(18) . . ?
B11' B10' B5' 106.8(2) . . ?
B9' B10' B5' 59.27(17) . . ?
B12' B10' B5' 107.1(2) . . ?
B6' B10' H10' 118.6(17) . . ?
B11' B10' H10' 121.7(17) . . ?
B9' B10' H10' 124.6(17) . . ?
B12' B10' H10' 124.9(17) . . ?
B5' B10' H10' 121.0(17) . . ?
C2' B11' B6' 59.72(17) . . ?
C2' B11' B12' 104.6(2) . . ?
B6' B11' B12' 108.1(2) . . ?
C2' B11' B10' 105.4(2) . . ?
B6' B11' B10' 59.83(18) . . ?
B12' B11' B10' 60.19(17) . . ?
C2' B11' B7' 58.62(16) . . ?
B6' B11' B7' 109.1(2) . . ?
B12' B11' B7' 60.13(16) . . ?
B10' B11' B7' 108.8(2) . . ?
C2' B11' H11' 117.7(16) . . ?
B6' B11' H11' 120.9(16) . . ?
B12' B11' H11' 126.3(16) . . ?
B10' B11' H11' 128.8(16) . . ?
B7' B11' H11' 116.4(16) . . ?
B11' B12' B9' 107.5(2) . . ?
B11' B12' B10' 60.11(17) . . ?
B9' B12' B10' 60.00(17) . . ?
B11' B12' B7' 60.64(17) . . ?
B9' B12' B7' 107.9(2) . . ?
B10' B12' B7' 109.1(2) . . ?
B11' B12' B8' 109.3(2) . . ?
B9' B12' B8' 60.39(16) . . ?
B10' B12' B8' 109.7(2) . . ?
B7' B12' B8' 60.36(16) . . ?
B11' B12' H12' 120.3(15) . . ?
B9' B12' H12' 124.7(15) . . ?
B10' B12' H12' 122.9(15) . . ?
B7' B12' H12' 118.5(15) . . ?
B8' B12' H12' 120.0(15) . . ?
C1S Cl1S K1 113.95(15) . . ?
Cl2S C1S Cl1S 113.3(2) . . ?
Cl2S C1S H1SA 108.9 . . ?
Cl1S C1S H1SA 108.9 . . ?
Cl2S C1S H1SB 108.9 . . ?
Cl1S C1S H1SB 108.9 . . ?
H1SA C1S H1SB 107.7 . . ?
C2S O1S K1 136.7(2) . . ?
O1S C2S C3S 122.1(3) . . ?
O1S C2S C4S 120.9(3) . . ?
C3S C2S C4S 116.9(3) . . ?
C2S C3S H3SA 109.5 . . ?
C2S C3S H3SB 109.5 . . ?
H3SA C3S H3SB 109.5 . . ?
C2S C3S H3SC 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
C2S C4S H4SA 109.5 . . ?
C2S C4S H4SB 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
C2S C4S H4SC 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?

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
B8 O1 C3 C4 -161.6(2) . . . . ?
K1 O1 C3 C4 62.7(2) 1_455 . . . ?
B8 O1 C3 K1 135.7(2) . . . 1_455 ?
C5 O2 C4 C3 -170.6(2) . . . . ?
K1 O2 C4 C3 31.8(3) 1_455 . . . ?
O1 C3 C4 O2 -64.8(3) . . . . ?
K1 C3 C4 O2 -22.47(19) 1_455 . . . ?
B5 C1 C2 B11 -0.1(3) . . . . ?
B4 C1 C2 B11 68.8(3) . . . . ?
B6 C1 C2 B11 -39.3(2) . . . . ?
Co1 C1 C2 B11 121.57(19) . . . . ?
B5 C1 C2 B7 -69.0(3) . . . . ?
B4 C1 C2 B7 -0.2(3) . . . . ?
B6 C1 C2 B7 -108.3(2) . . . . ?
Co1 C1 C2 B7 52.63(17) . . . . ?
B5 C1 C2 B6 39.2(2) . . . . ?
B4 C1 C2 B6 108.1(2) . . . . ?
Co1 C1 C2 B6 160.90(17) . . . . ?
B5 C1 C2 Co1 -121.66(19) . . . . ?
B4 C1 C2 Co1 -52.79(17) . . . . ?
B6 C1 C2 Co1 -160.90(17) . . . . ?
C2 C1 B4 B9 -64.0(2) . . . . ?
B5 C1 B4 B9 39.69(19) . . . . ?
B6 C1 B4 B9 3.5(3) . . . . ?
Co1 C1 B4 B9 -115.41(17) . . . . ?
C2 C1 B4 B5 -103.7(2) . . . . ?
B6 C1 B4 B5 -36.2(2) . . . . ?
Co1 C1 B4 B5 -155.09(17) . . . . ?
C2 C1 B4 B8 -1.5(3) . . . . ?
B5 C1 B4 B8 102.2(2) . . . . ?
B6 C1 B4 B8 66.0(2) . . . . ?
Co1 C1 B4 B8 -52.88(15) . . . . ?
C2 C1 B4 Co1 51.37(16) . . . . ?
B5 C1 B4 Co1 155.09(17) . . . . ?
B6 C1 B4 Co1 118.87(19) . . . . ?
C2 C1 B5 B6 -38.90(19) . . . . ?
B4 C1 B5 B6 -142.9(2) . . . . ?
Co1 C1 B5 B6 -113.7(2) . . . . ?
C2 C1 B5 B9 63.9(2) . . . . ?
B4 C1 B5 B9 -40.03(19) . . . . ?
B6 C1 B5 B9 102.9(2) . . . . ?
Co1 C1 B5 B9 -10.9(3) . . . . ?
C2 C1 B5 B10 1.2(3) . . . . ?
B4 C1 B5 B10 -102.7(2) . . . . ?
B6 C1 B5 B10 40.14(19) . . . . ?
Co1 C1 B5 B10 -73.6(3) . . . . ?
C2 C1 B5 B4 104.0(2) . . . . ?
B6 C1 B5 B4 142.9(2) . . . . ?
Co1 C1 B5 B4 29.1(2) . . . . ?
B9 B4 B5 C1 -134.0(2) . . . . ?
B8 B4 B5 C1 -96.9(2) . . . . ?
Co1 B4 B5 C1 -24.58(17) . . . . ?
C1 B4 B5 B6 33.39(18) . . . . ?
B9 B4 B5 B6 -100.6(2) . . . . ?
B8 B4 B5 B6 -63.5(2) . . . . ?
Co1 B4 B5 B6 8.8(3) . . . . ?
C1 B4 B5 B9 134.0(2) . . . . ?
B8 B4 B5 B9 37.10(19) . . . . ?
Co1 B4 B5 B9 109.4(2) . . . . ?
C1 B4 B5 B10 96.8(2) . . . . ?
B9 B4 B5 B10 -37.21(19) . . . . ?
B8 B4 B5 B10 -0.1(3) . . . . ?
Co1 B4 B5 B10 72.2(2) . . . . ?
B11 C2 B6 C1 138.3(2) . . . . ?
B7 C2 B6 C1 101.8(2) . . . . ?
Co1 C2 B6 C1 21.25(18) . . . . ?
C1 C2 B6 B10 -98.3(2) . . . . ?
B11 C2 B6 B10 40.07(19) . . . . ?
B7 C2 B6 B10 3.5(3) . . . . ?
Co1 C2 B6 B10 -77.0(2) . . . . ?
C1 C2 B6 B5 -35.66(18) . . . . ?
B11 C2 B6 B5 102.7(2) . . . . ?
B7 C2 B6 B5 66.1(3) . . . . ?
Co1 C2 B6 B5 -14.4(3) . . . . ?
C1 C2 B6 B11 -138.3(2) . . . . ?
B7 C2 B6 B11 -36.5(2) . . . . ?
Co1 C2 B6 B11 -117.1(2) . . . . ?
B5 C1 B6 C2 -138.2(2) . . . . ?
B4 C1 B6 C2 -101.4(2) . . . . ?
Co1 C1 B6 C2 -21.18(19) . . . . ?
C2 C1 B6 B10 97.8(2) . . . . ?
B5 C1 B6 B10 -40.39(19) . . . . ?
B4 C1 B6 B10 -3.6(3) . . . . ?
Co1 C1 B6 B10 76.6(2) . . . . ?
C2 C1 B6 B5 138.2(2) . . . . ?
B4 C1 B6 B5 36.7(2) . . . . ?
Co1 C1 B6 B5 117.0(2) . . . . ?
C2 C1 B6 B11 35.49(18) . . . . ?
B5 C1 B6 B11 -102.7(2) . . . . ?
B4 C1 B6 B11 -65.9(2) . . . . ?
Co1 C1 B6 B11 14.3(3) . . . . ?
C1 B5 B6 C2 35.14(18) . . . . ?
B9 B5 B6 C2 -61.4(2) . . . . ?
B10 B5 B6 C2 -98.8(2) . . . . ?
B4 B5 B6 C2 2.2(3) . . . . ?
B9 B5 B6 C1 -96.5(2) . . . . ?
B10 B5 B6 C1 -133.9(2) . . . . ?
B4 B5 B6 C1 -32.92(18) . . . . ?
C1 B5 B6 B10 133.9(2) . . . . ?
B9 B5 B6 B10 37.4(2) . . . . ?
B4 B5 B6 B10 101.0(2) . . . . ?
C1 B5 B6 B11 95.5(2) . . . . ?
B9 B5 B6 B11 -1.0(3) . . . . ?
B10 B5 B6 B11 -38.40(19) . . . . ?
B4 B5 B6 B11 62.6(3) . . . . ?
C1 C2 B7 B12 64.3(2) . . . . ?
B11 C2 B7 B12 -39.62(18) . . . . ?
B6 C2 B7 B12 -3.4(3) . . . . ?
Co1 C2 B7 B12 115.59(17) . . . . ?
C1 C2 B7 B8 1.8(3) . . . . ?
B11 C2 B7 B8 -102.2(2) . . . . ?
B6 C2 B7 B8 -66.0(3) . . . . ?
Co1 C2 B7 B8 53.02(16) . . . . ?
C1 C2 B7 B11 104.0(2) . . . . ?
B6 C2 B7 B11 36.2(2) . . . . ?
Co1 C2 B7 B11 155.21(17) . . . . ?
C1 C2 B7 Co1 -51.26(16) . . . . ?
B11 C2 B7 Co1 -155.21(17) . . . . ?
B6 C2 B7 Co1 -119.0(2) . . . . ?
C3 O1 B8 B7 -174.8(2) . . . . ?
K1 O1 B8 B7 -42.6(3) 1_455 . . . ?
C3 O1 B8 B12 -104.9(3) . . . . ?
K1 O1 B8 B12 27.3(3) 1_455 . . . ?
C3 O1 B8 B9 -35.0(3) . . . . ?
K1 O1 B8 B9 97.2(2) 1_455 . . . ?
C3 O1 B8 B4 38.3(4) . . . . ?
K1 O1 B8 B4 170.53(18) 1_455 . . . ?
C3 O1 B8 Co1 112.5(2) . . . . ?
K1 O1 B8 Co1 -115.32(14) 1_455 . . . ?
C2 B7 B8 O1 -155.2(2) . . . . ?
B12 B7 B8 O1 107.9(3) . . . . ?
B11 B7 B8 O1 144.2(2) . . . . ?
Co1 B7 B8 O1 -104.8(2) . . . . ?
C2 B7 B8 B12 96.9(2) . . . . ?
B11 B7 B8 B12 36.30(18) . . . . ?
Co1 B7 B8 B12 147.34(17) . . . . ?
C2 B7 B8 B9 59.6(2) . . . . ?
B12 B7 B8 B9 -37.36(18) . . . . ?
B11 B7 B8 B9 -1.1(2) . . . . ?
Co1 B7 B8 B9 109.99(17) . . . . ?
C2 B7 B8 B4 -2.6(3) . . . . ?
B12 B7 B8 B4 -99.5(2) . . . . ?
B11 B7 B8 B4 -63.2(2) . . . . ?
Co1 B7 B8 B4 47.83(16) . . . . ?
C2 B7 B8 Co1 -50.42(15) . . . . ?
B12 B7 B8 Co1 -147.34(17) . . . . ?
B11 B7 B8 Co1 -111.05(18) . . . . ?
C1 B4 B8 O1 153.0(2) . . . . ?
B9 B4 B8 O1 -109.6(3) . . . . ?
B5 B4 B8 O1 -146.4(2) . . . . ?
Co1 B4 B8 O1 102.6(3) . . . . ?
C1 B4 B8 B7 2.5(3) . . . . ?
B9 B4 B8 B7 99.9(2) . . . . ?
B5 B4 B8 B7 63.1(2) . . . . ?
Co1 B4 B8 B7 -47.97(16) . . . . ?
C1 B4 B8 B12 -60.1(2) . . . . ?
B9 B4 B8 B12 37.31(19) . . . . ?
B5 B4 B8 B12 0.5(3) . . . . ?
Co1 B4 B8 B12 -110.53(17) . . . . ?
C1 B4 B8 B9 -97.4(2) . . . . ?
B5 B4 B8 B9 -36.78(19) . . . . ?
Co1 B4 B8 B9 -147.84(17) . . . . ?
C1 B4 B8 Co1 50.48(15) . . . . ?
B9 B4 B8 Co1 147.84(17) . . . . ?
B5 B4 B8 Co1 111.06(18) . . . . ?
C1 B5 B9 B12 -61.9(3) . . . . ?
B6 B5 B9 B12 0.4(3) . . . . ?
B10 B5 B9 B12 37.5(2) . . . . ?
B4 B5 B9 B12 -101.2(2) . . . . ?
C1 B5 B9 B4 39.30(18) . . . . ?
B6 B5 B9 B4 101.7(2) . . . . ?
B10 B5 B9 B4 138.7(2) . . . . ?
C1 B5 B9 B10 -99.4(2) . . . . ?
B6 B5 B9 B10 -37.09(19) . . . . ?
B4 B5 B9 B10 -138.7(2) . . . . ?
C1 B5 B9 B8 2.0(3) . . . . ?
B6 B5 B9 B8 64.3(3) . . . . ?
B10 B5 B9 B8 101.4(2) . . . . ?
B4 B5 B9 B8 -37.31(19) . . . . ?
C1 B4 B9 B5 -38.81(18) . . . . ?
B8 B4 B9 B5 -138.8(2) . . . . ?
Co1 B4 B9 B5 -104.9(2) . . . . ?
C1 B4 B9 B12 61.7(2) . . . . ?
B5 B4 B9 B12 100.5(2) . . . . ?
B8 B4 B9 B12 -38.26(19) . . . . ?
Co1 B4 B9 B12 -4.4(3) . . . . ?
C1 B4 B9 B10 -1.8(3) . . . . ?
B5 B4 B9 B10 36.99(19) . . . . ?
B8 B4 B9 B10 -101.8(2) . . . . ?
Co1 B4 B9 B10 -67.9(2) . . . . ?
C1 B4 B9 B8 99.9(2) . . . . ?
B5 B4 B9 B8 138.8(2) . . . . ?
Co1 B4 B9 B8 33.84(18) . . . . ?
O1 B8 B9 B5 153.2(2) . . . . ?
B7 B8 B9 B5 -62.4(2) . . . . ?
B12 B8 B9 B5 -100.0(2) . . . . ?
B4 B8 B9 B5 37.34(19) . . . . ?
Co1 B8 B9 B5 5.7(3) . . . . ?
O1 B8 B9 B12 -106.8(3) . . . . ?
B7 B8 B9 B12 37.61(18) . . . . ?
B4 B8 B9 B12 137.4(2) . . . . ?
Co1 B8 B9 B12 105.73(19) . . . . ?
O1 B8 B9 B4 115.9(3) . . . . ?
B7 B8 B9 B4 -99.8(2) . . . . ?
B12 B8 B9 B4 -137.4(2) . . . . ?
Co1 B8 B9 B4 -31.63(17) . . . . ?
O1 B8 B9 B10 -143.1(2) . . . . ?
B7 B8 B9 B10 1.3(3) . . . . ?
B12 B8 B9 B10 -36.33(19) . . . . ?
B4 B8 B9 B10 101.0(2) . . . . ?
Co1 B8 B9 B10 69.4(2) . . . . ?
C2 B6 B10 B11 -38.98(18) . . . . ?
C1 B6 B10 B11 -97.9(2) . . . . ?
B5 B6 B10 B11 -137.1(2) . . . . ?
C2 B6 B10 B5 98.1(2) . . . . ?
C1 B6 B10 B5 39.16(18) . . . . ?
B11 B6 B10 B5 137.1(2) . . . . ?
C2 B6 B10 B12 -2.0(3) . . . . ?
C1 B6 B10 B12 -60.9(2) . . . . ?
B5 B6 B10 B12 -100.1(2) . . . . ?
B11 B6 B10 B12 36.95(19) . . . . ?
C2 B6 B10 B9 61.1(2) . . . . ?
C1 B6 B10 B9 2.2(3) . . . . ?
B5 B6 B10 B9 -36.99(19) . . . . ?
B11 B6 B10 B9 100.1(2) . . . . ?
C1 B5 B10 B6 -40.12(19) . . . . ?
B9 B5 B10 B6 -138.4(2) . . . . ?
B4 B5 B10 B6 -101.4(2) . . . . ?
C1 B5 B10 B11 -1.9(3) . . . . ?
B6 B5 B10 B11 38.25(19) . . . . ?
B9 B5 B10 B11 -100.2(2) . . . . ?
B4 B5 B10 B11 -63.2(2) . . . . ?
C1 B5 B10 B12 60.9(2) . . . . ?
B6 B5 B10 B12 101.1(2) . . . . ?
B9 B5 B10 B12 -37.38(19) . . . . ?
B4 B5 B10 B12 -0.4(3) . . . . ?
C1 B5 B10 B9 98.3(2) . . . . ?
B6 B5 B10 B9 138.4(2) . . . . ?
B4 B5 B10 B9 37.03(19) . . . . ?
B5 B9 B10 B6 37.00(19) . . . . ?
B12 B9 B10 B6 -100.9(2) . . . . ?
B4 B9 B10 B6 -0.2(3) . . . . ?
B8 B9 B10 B6 -64.4(3) . . . . ?
B5 B9 B10 B11 100.4(2) . . . . ?
B12 B9 B10 B11 -37.50(19) . . . . ?
B4 B9 B10 B11 63.2(2) . . . . ?
B8 B9 B10 B11 -1.0(3) . . . . ?
B12 B9 B10 B5 -137.9(2) . . . . ?
B4 B9 B10 B5 -37.24(19) . . . . ?
B8 B9 B10 B5 -101.4(2) . . . . ?
B5 B9 B10 B12 137.9(2) . . . . ?
B4 B9 B10 B12 100.7(2) . . . . ?
B8 B9 B10 B12 36.49(19) . . . . ?
C1 C2 B11 B12 -63.8(2) . . . . ?
B7 C2 B11 B12 40.41(19) . . . . ?
B6 C2 B11 B12 -102.7(2) . . . . ?
Co1 C2 B11 B12 11.4(3) . . . . ?
C1 C2 B11 B6 38.9(2) . . . . ?
B7 C2 B11 B6 143.1(2) . . . . ?
Co1 C2 B11 B6 114.1(2) . . . . ?
C1 C2 B11 B10 -1.1(3) . . . . ?
B7 C2 B11 B10 103.1(2) . . . . ?
B6 C2 B11 B10 -40.00(19) . . . . ?
Co1 C2 B11 B10 74.1(2) . . . . ?
C1 C2 B11 B7 -104.2(2) . . . . ?
B6 C2 B11 B7 -143.1(2) . . . . ?
Co1 C2 B11 B7 -29.01(19) . . . . ?
C1 B6 B11 C2 -35.01(18) . . . . ?
B10 B6 B11 C2 -134.0(2) . . . . ?
B5 B6 B11 C2 -95.5(2) . . . . ?
C2 B6 B11 B12 96.7(2) . . . . ?
C1 B6 B11 B12 61.7(2) . . . . ?
B10 B6 B11 B12 -37.3(2) . . . . ?
B5 B6 B11 B12 1.2(3) . . . . ?
C2 B6 B11 B10 134.0(2) . . . . ?
C1 B6 B11 B10 99.0(2) . . . . ?
B5 B6 B11 B10 38.6(2) . . . . ?
C2 B6 B11 B7 32.74(19) . . . . ?
C1 B6 B11 B7 -2.3(3) . . . . ?
B10 B6 B11 B7 -101.3(2) . . . . ?
B5 B6 B11 B7 -62.7(3) . . . . ?
B6 B10 B11 C2 39.89(19) . . . . ?
B5 B10 B11 C2 1.8(3) . . . . ?
B12 B10 B11 C2 -98.6(2) . . . . ?
B9 B10 B11 C2 -61.1(2) . . . . ?
B6 B10 B11 B12 138.5(2) . . . . ?
B5 B10 B11 B12 100.4(2) . . . . ?
B9 B10 B11 B12 37.55(19) . . . . ?
B5 B10 B11 B6 -38.07(19) . . . . ?
B12 B10 B11 B6 -138.5(2) . . . . ?
B9 B10 B11 B6 -100.9(2) . . . . ?
B6 B10 B11 B7 101.3(2) . . . . ?
B5 B10 B11 B7 63.2(2) . . . . ?
B12 B10 B11 B7 -37.22(19) . . . . ?
B9 B10 B11 B7 0.3(3) . . . . ?
B12 B7 B11 C2 133.8(2) . . . . ?
B8 B7 B11 C2 97.0(2) . . . . ?
Co1 B7 B11 C2 24.42(17) . . . . ?
C2 B7 B11 B12 -133.8(2) . . . . ?
B8 B7 B11 B12 -36.81(18) . . . . ?
Co1 B7 B11 B12 -109.4(2) . . . . ?
C2 B7 B11 B6 -33.08(19) . . . . ?
B12 B7 B11 B6 100.7(2) . . . . ?
B8 B7 B11 B6 63.9(2) . . . . ?
Co1 B7 B11 B6 -8.7(3) . . . . ?
C2 B7 B11 B10 -96.5(2) . . . . ?
B12 B7 B11 B10 37.28(19) . . . . ?
B8 B7 B11 B10 0.5(3) . . . . ?
Co1 B7 B11 B10 -72.1(2) . . . . ?
C2 B11 B12 B9 61.2(2) . . . . ?
B6 B11 B12 B9 -0.9(3) . . . . ?
B10 B11 B12 B9 -37.97(19) . . . . ?
B7 B11 B12 B9 100.8(2) . . . . ?
C2 B11 B12 B10 99.2(2) . . . . ?
B6 B11 B12 B10 37.02(19) . . . . ?
B7 B11 B12 B10 138.8(2) . . . . ?
C2 B11 B12 B7 -39.56(18) . . . . ?
B6 B11 B12 B7 -101.7(2) . . . . ?
B10 B11 B12 B7 -138.8(2) . . . . ?
C2 B11 B12 B8 -2.9(3) . . . . ?
B6 B11 B12 B8 -65.0(2) . . . . ?
B10 B11 B12 B8 -102.1(2) . . . . ?
B7 B11 B12 B8 36.69(19) . . . . ?
B5 B9 B12 B11 0.3(3) . . . . ?
B4 B9 B12 B11 -63.6(3) . . . . ?
B10 B9 B12 B11 37.81(19) . . . . ?
B8 B9 B12 B11 -101.9(2) . . . . ?
B5 B9 B12 B10 -37.49(19) . . . . ?
B4 B9 B12 B10 -101.4(2) . . . . ?
B8 B9 B12 B10 -139.7(2) . . . . ?
B5 B9 B12 B7 64.2(3) . . . . ?
B4 B9 B12 B7 0.4(3) . . . . ?
B10 B9 B12 B7 101.7(2) . . . . ?
B8 B9 B12 B7 -37.93(19) . . . . ?
B5 B9 B12 B8 102.2(2) . . . . ?
B4 B9 B12 B8 38.29(19) . . . . ?
B10 B9 B12 B8 139.7(2) . . . . ?
B6 B10 B12 B11 -37.19(19) . . . . ?
B5 B10 B12 B11 -100.3(2) . . . . ?
B9 B10 B12 B11 -137.6(2) . . . . ?
B6 B10 B12 B9 100.4(2) . . . . ?
B11 B10 B12 B9 137.6(2) . . . . ?
B5 B10 B12 B9 37.37(19) . . . . ?
B6 B10 B12 B7 0.1(3) . . . . ?
B11 B10 B12 B7 37.27(19) . . . . ?
B5 B10 B12 B7 -63.0(2) . . . . ?
B9 B10 B12 B7 -100.4(2) . . . . ?
B6 B10 B12 B8 63.8(3) . . . . ?
B11 B10 B12 B8 101.0(2) . . . . ?
B5 B10 B12 B8 0.7(3) . . . . ?
B9 B10 B12 B8 -36.68(19) . . . . ?
C2 B7 B12 B11 38.94(18) . . . . ?
B8 B7 B12 B11 139.1(2) . . . . ?
Co1 B7 B12 B11 104.7(2) . . . . ?
C2 B7 B12 B9 -62.0(2) . . . . ?
B8 B7 B12 B9 38.23(19) . . . . ?
B11 B7 B12 B9 -100.9(2) . . . . ?
Co1 B7 B12 B9 3.8(3) . . . . ?
C2 B7 B12 B10 1.9(3) . . . . ?
B8 B7 B12 B10 102.1(2) . . . . ?
B11 B7 B12 B10 -37.04(19) . . . . ?
Co1 B7 B12 B10 67.7(2) . . . . ?
C2 B7 B12 B8 -100.2(2) . . . . ?
B11 B7 B12 B8 -139.1(2) . . . . ?
Co1 B7 B12 B8 -34.43(17) . . . . ?
O1 B8 B12 B11 -147.1(2) . . . . ?
B7 B8 B12 B11 -36.97(19) . . . . ?
B9 B8 B12 B11 100.4(2) . . . . ?
B4 B8 B12 B11 63.1(2) . . . . ?
Co1 B8 B12 B11 -4.7(3) . . . . ?
O1 B8 B12 B9 112.4(3) . . . . ?
B7 B8 B12 B9 -137.4(2) . . . . ?
B4 B8 B12 B9 -37.35(18) . . . . ?
Co1 B8 B12 B9 -105.10(19) . . . . ?
O1 B8 B12 B10 149.0(2) . . . . ?
B7 B8 B12 B10 -100.8(2) . . . . ?
B9 B8 B12 B10 36.60(19) . . . . ?
B4 B8 B12 B10 -0.8(3) . . . . ?
Co1 B8 B12 B10 -68.5(2) . . . . ?
O1 B8 B12 B7 -110.2(3) . . . . ?
B9 B8 B12 B7 137.4(2) . . . . ?
B4 B8 B12 B7 100.1(2) . . . . ?
Co1 B8 B12 B7 32.31(16) . . . . ?
B8' O1' C3' C4' 158.8(2) . . . . ?
K1 O1' C3' C4' -61.5(2) . . . . ?
B8' O1' C3' K1 -139.6(2) . . . . ?
C5' O2' C4' C3' 175.8(2) . . . . ?
K1 O2' C4' C3' -33.4(3) . . . . ?
O1' C3' C4' O2' 65.6(3) . . . . ?
K1 C3' C4' O2' 24.0(2) . . . . ?
B5' C1' C2' B11' -0.2(3) . . . . ?
B4' C1' C2' B11' 68.8(3) . . . . ?
B6' C1' C2' B11' -39.2(2) . . . . ?
Co1 C1' C2' B11' 121.17(19) . . . . ?
B5' C1' C2' B7' -69.2(3) . . . . ?
B4' C1' C2' B7' -0.2(3) . . . . ?
B6' C1' C2' B7' -108.2(2) . . . . ?
Co1 C1' C2' B7' 52.13(17) . . . . ?
B5' C1' C2' B6' 39.0(2) . . . . ?
B4' C1' C2' B6' 108.0(2) . . . . ?
Co1 C1' C2' B6' 160.33(18) . . . . ?
B5' C1' C2' Co1 -121.4(2) . . . . ?
B4' C1' C2' Co1 -52.37(17) . . . . ?
B6' C1' C2' Co1 -160.33(18) . . . . ?
C2' C1' B4' B9' -64.4(2) . . . . ?
B5' C1' B4' B9' 39.38(19) . . . . ?
B6' C1' B4' B9' 3.4(3) . . . . ?
Co1 C1' B4' B9' -115.76(18) . . . . ?
C2' C1' B4' B5' -103.8(2) . . . . ?
B6' C1' B4' B5' -35.9(2) . . . . ?
Co1 C1' B4' B5' -155.14(18) . . . . ?
C2' C1' B4' B8' -1.7(3) . . . . ?
B5' C1' B4' B8' 102.1(2) . . . . ?
B6' C1' B4' B8' 66.1(3) . . . . ?
Co1 C1' B4' B8' -53.05(16) . . . . ?
C2' C1' B4' Co1 51.32(17) . . . . ?
B5' C1' B4' Co1 155.14(18) . . . . ?
B6' C1' B4' Co1 119.2(2) . . . . ?
C2' C1' B5' B9' 64.2(3) . . . . ?
B4' C1' B5' B9' -40.1(2) . . . . ?
B6' C1' B5' B9' 103.0(2) . . . . ?
Co1 C1' B5' B9' -11.2(3) . . . . ?
C2' C1' B5' B6' -38.8(2) . . . . ?
B4' C1' B5' B6' -143.1(2) . . . . ?
Co1 C1' B5' B6' -114.2(2) . . . . ?
C2' C1' B5' B10' 1.5(3) . . . . ?
B4' C1' B5' B10' -102.7(2) . . . . ?
B6' C1' B5' B10' 40.3(2) . . . . ?
Co1 C1' B5' B10' -73.8(3) . . . . ?
C2' C1' B5' B4' 104.2(2) . . . . ?
B6' C1' B5' B4' 143.1(2) . . . . ?
Co1 C1' B5' B4' 28.9(2) . . . . ?
B9' B4' B5' C1' -134.0(2) . . . . ?
B8' B4' B5' C1' -97.6(2) . . . . ?
Co1 B4' B5' C1' -24.84(18) . . . . ?
C1' B4' B5' B9' 134.0(2) . . . . ?
B8' B4' B5' B9' 36.42(19) . . . . ?
Co1 B4' B5' B9' 109.2(2) . . . . ?
C1' B4' B5' B6' 33.3(2) . . . . ?
B9' B4' B5' B6' -100.8(2) . . . . ?
B8' B4' B5' B6' -64.4(3) . . . . ?
Co1 B4' B5' B6' 8.4(3) . . . . ?
C1' B4' B5' B10' 96.8(2) . . . . ?
B9' B4' B5' B10' -37.2(2) . . . . ?
B8' B4' B5' B10' -0.8(3) . . . . ?
Co1 B4' B5' B10' 72.0(3) . . . . ?
B11' C2' B6' C1' 138.3(2) . . . . ?
B7' C2' B6' C1' 101.8(2) . . . . ?
Co1 C2' B6' C1' 22.0(2) . . . . ?
C1' C2' B6' B5' -35.46(19) . . . . ?
B11' C2' B6' B5' 102.9(2) . . . . ?
B7' C2' B6' B5' 66.3(3) . . . . ?
Co1 C2' B6' B5' -13.5(3) . . . . ?
C1' C2' B6' B11' -138.3(2) . . . . ?
B7' C2' B6' B11' -36.6(2) . . . . ?
Co1 C2' B6' B11' -116.4(2) . . . . ?
C1' C2' B6' B10' -98.1(2) . . . . ?
B11' C2' B6' B10' 40.2(2) . . . . ?
B7' C2' B6' B10' 3.7(3) . . . . ?
Co1 C2' B6' B10' -76.1(3) . . . . ?
B5' C1' B6' C2' -138.4(2) . . . . ?
B4' C1' B6' C2' -101.9(2) . . . . ?
Co1 C1' B6' C2' -22.0(2) . . . . ?
C2' C1' B6' B5' 138.4(2) . . . . ?
B4' C1' B6' B5' 36.6(2) . . . . ?
Co1 C1' B6' B5' 116.5(2) . . . . ?
C2' C1' B6' B11' 35.44(19) . . . . ?
B5' C1' B6' B11' -103.0(2) . . . . ?
B4' C1' B6' B11' -66.4(3) . . . . ?
Co1 C1' B6' B11' 13.5(3) . . . . ?
C2' C1' B6' B10' 97.9(2) . . . . ?
B5' C1' B6' B10' -40.5(2) . . . . ?
B4' C1' B6' B10' -4.0(3) . . . . ?
Co1 C1' B6' B10' 75.9(3) . . . . ?
C1' B5' B6' C2' 34.67(18) . . . . ?
B9' B5' B6' C2' -61.8(3) . . . . ?
B10' B5' B6' C2' -99.1(2) . . . . ?
B4' B5' B6' C2' 2.0(3) . . . . ?
B9' B5' B6' C1' -96.4(2) . . . . ?
B10' B5' B6' C1' -133.8(2) . . . . ?
B4' B5' B6' C1' -32.65(19) . . . . ?
C1' B5' B6' B11' 95.1(2) . . . . ?
B9' B5' B6' B11' -1.4(3) . . . . ?
B10' B5' B6' B11' -38.7(2) . . . . ?
B4' B5' B6' B11' 62.4(3) . . . . ?
C1' B5' B6' B10' 133.8(2) . . . . ?
B9' B5' B6' B10' 37.4(2) . . . . ?
B4' B5' B6' B10' 101.1(2) . . . . ?
C1' C2' B7' B12' 64.3(2) . . . . ?
B11' C2' B7' B12' -39.65(19) . . . . ?
B6' C2' B7' B12' -3.6(3) . . . . ?
Co1 C2' B7' B12' 115.54(17) . . . . ?
C1' C2' B7' B11' 104.0(2) . . . . ?
B6' C2' B7' B11' 36.0(2) . . . . ?
Co1 C2' B7' B11' 155.19(18) . . . . ?
C1' C2' B7' B8' 2.1(3) . . . . ?
B11' C2' B7' B8' -101.9(2) . . . . ?
B6' C2' B7' B8' -65.9(3) . . . . ?
Co1 C2' B7' B8' 53.28(15) . . . . ?
C1' C2' B7' Co1 -51.21(16) . . . . ?
B11' C2' B7' Co1 -155.19(17) . . . . ?
B6' C2' B7' Co1 -119.1(2) . . . . ?
C3' O1' B8' B4' 171.7(2) . . . . ?
K1 O1' B8' B4' 36.2(3) . . . . ?
C3' O1' B8' B9' 102.1(3) . . . . ?
K1 O1' B8' B9' -33.5(3) . . . . ?
C3' O1' B8' B12' 32.2(3) . . . . ?
K1 O1' B8' B12' -103.4(2) . . . . ?
C3' O1' B8' B7' -41.3(3) . . . . ?
K1 O1' B8' B7' -176.89(18) . . . . ?
C3' O1' B8' Co1 -115.5(2) . . . . ?
K1 O1' B8' Co1 108.93(15) . . . . ?
C1' B4' B8' O1' 155.7(2) . . . . ?
B9' B4' B8' O1' -107.5(3) . . . . ?
B5' B4' B8' O1' -143.3(2) . . . . ?
Co1 B4' B8' O1' 104.8(2) . . . . ?
C1' B4' B8' B9' -96.8(2) . . . . ?
B5' B4' B8' B9' -35.8(2) . . . . ?
Co1 B4' B8' B9' -147.70(17) . . . . ?
C1' B4' B8' B12' -59.2(2) . . . . ?
B9' B4' B8' B12' 37.60(19) . . . . ?
B5' B4' B8' B12' 1.8(3) . . . . ?
Co1 B4' B8' B12' -110.10(17) . . . . ?
C1' B4' B8' B7' 2.9(3) . . . . ?
B9' B4' B8' B7' 99.7(2) . . . . ?
B5' B4' B8' B7' 63.9(2) . . . . ?
Co1 B4' B8' B7' -47.97(15) . . . . ?
C1' B4' B8' Co1 50.86(15) . . . . ?
B9' B4' B8' Co1 147.70(17) . . . . ?
B5' B4' B8' Co1 111.87(19) . . . . ?
C2' B7' B8' O1' -153.9(2) . . . . ?
B12' B7' B8' O1' 109.4(3) . . . . ?
B11' B7' B8' O1' 145.7(2) . . . . ?
Co1 B7' B8' O1' -102.9(2) . . . . ?
C2' B7' B8' B4' -3.0(2) . . . . ?
B12' B7' B8' B4' -99.6(2) . . . . ?
B11' B7' B8' B4' -63.4(2) . . . . ?
Co1 B7' B8' B4' 48.03(15) . . . . ?
C2' B7' B8' B9' 59.0(2) . . . . ?
B12' B7' B8' B9' -37.68(19) . . . . ?
B11' B7' B8' B9' -1.4(3) . . . . ?
Co1 B7' B8' B9' 110.00(18) . . . . ?
C2' B7' B8' B12' 96.7(2) . . . . ?
B11' B7' B8' B12' 36.28(19) . . . . ?
Co1 B7' B8' B12' 147.68(17) . . . . ?
C2' B7' B8' Co1 -51.03(15) . . . . ?
B12' B7' B8' Co1 -147.68(17) . . . . ?
B11' B7' B8' Co1 -111.40(19) . . . . ?
C1' B5' B9' B12' -61.7(3) . . . . ?
B6' B5' B9' B12' 0.8(3) . . . . ?
B10' B5' B9' B12' 37.9(2) . . . . ?
B4' B5' B9' B12' -100.8(2) . . . . ?
C1' B5' B9' B4' 39.13(19) . . . . ?
B6' B5' B9' B4' 101.6(2) . . . . ?
B10' B5' B9' B4' 138.7(2) . . . . ?
C1' B5' B9' B10' -99.6(2) . . . . ?
B6' B5' B9' B10' -37.1(2) . . . . ?
B4' B5' B9' B10' -138.7(2) . . . . ?
C1' B5' B9' B8' 2.5(3) . . . . ?
B6' B5' B9' B8' 65.0(3) . . . . ?
B10' B5' B9' B8' 102.1(2) . . . . ?
B4' B5' B9' B8' -36.63(19) . . . . ?
C1' B4' B9' B5' -38.88(19) . . . . ?
B8' B4' B9' B5' -139.6(2) . . . . ?
Co1 B4' B9' B5' -105.5(2) . . . . ?
C1' B4' B9' B12' 62.2(2) . . . . ?
B5' B4' B9' B12' 101.1(2) . . . . ?
B8' B4' B9' B12' -38.56(19) . . . . ?
Co1 B4' B9' B12' -4.4(3) . . . . ?
C1' B4' B9' B10' -1.5(3) . . . . ?
B5' B4' B9' B10' 37.4(2) . . . . ?
B8' B4' B9' B10' -102.2(2) . . . . ?
Co1 B4' B9' B10' -68.1(3) . . . . ?
C1' B4' B9' B8' 100.8(2) . . . . ?
B5' B4' B9' B8' 139.6(2) . . . . ?
Co1 B4' B9' B8' 34.14(18) . . . . ?
O1' B8' B9' B5' 147.7(2) . . . . ?
B4' B8' B9' B5' 36.9(2) . . . . ?
B12' B8' B9' B5' -100.1(2) . . . . ?
B7' B8' B9' B5' -62.3(3) . . . . ?
Co1 B8' B9' B5' 5.1(3) . . . . ?
O1' B8' B9' B12' -112.2(3) . . . . ?
B4' B8' B9' B12' 137.0(2) . . . . ?
B7' B8' B9' B12' 37.80(19) . . . . ?
Co1 B8' B9' B12' 105.26(19) . . . . ?
O1' B8' B9' B4' 110.9(3) . . . . ?
B12' B8' B9' B4' -137.0(2) . . . . ?
B7' B8' B9' B4' -99.2(2) . . . . ?
Co1 B8' B9' B4' -31.72(17) . . . . ?
O1' B8' B9' B10' -147.7(2) . . . . ?
B4' B8' B9' B10' 101.4(2) . . . . ?
B12' B8' B9' B10' -35.5(2) . . . . ?
B7' B8' B9' B10' 2.2(3) . . . . ?
Co1 B8' B9' B10' 69.7(2) . . . . ?
C2' B6' B10' B11' -39.06(19) . . . . ?
C1' B6' B10' B11' -97.5(2) . . . . ?
B5' B6' B10' B11' -136.8(2) . . . . ?
C2' B6' B10' B9' 61.1(3) . . . . ?
C1' B6' B10' B9' 2.7(3) . . . . ?
B5' B6' B10' B9' -36.6(2) . . . . ?
B11' B6' B10' B9' 100.2(2) . . . . ?
C2' B6' B10' B12' -2.0(3) . . . . ?
C1' B6' B10' B12' -60.5(3) . . . . ?
B5' B6' B10' B12' -99.8(2) . . . . ?
B11' B6' B10' B12' 37.0(2) . . . . ?
C2' B6' B10' B5' 97.8(2) . . . . ?
C1' B6' B10' B5' 39.33(19) . . . . ?
B11' B6' B10' B5' 136.8(2) . . . . ?
B5' B9' B10' B6' 36.8(2) . . . . ?
B12' B9' B10' B6' -100.8(2) . . . . ?
B4' B9' B10' B6' -0.8(3) . . . . ?
B8' B9' B10' B6' -65.1(3) . . . . ?
B5' B9' B10' B11' 99.7(2) . . . . ?
B12' B9' B10' B11' -37.9(2) . . . . ?
B4' B9' B10' B11' 62.1(3) . . . . ?
B8' B9' B10' B11' -2.2(3) . . . . ?
B5' B9' B10' B12' 137.6(2) . . . . ?
B4' B9' B10' B12' 100.0(2) . . . . ?
B8' B9' B10' B12' 35.7(2) . . . . ?
B12' B9' B10' B5' -137.6(2) . . . . ?
B4' B9' B10' B5' -37.6(2) . . . . ?
B8' B9' B10' B5' -101.9(2) . . . . ?
C1' B5' B10' B6' -40.3(2) . . . . ?
B9' B5' B10' B6' -138.5(2) . . . . ?
B4' B5' B10' B6' -101.3(2) . . . . ?
C1' B5' B10' B11' -2.2(3) . . . . ?
B9' B5' B10' B11' -100.4(2) . . . . ?
B6' B5' B10' B11' 38.1(2) . . . . ?
B4' B5' B10' B11' -63.2(3) . . . . ?
C1' B5' B10' B9' 98.2(2) . . . . ?
B6' B5' B10' B9' 138.5(2) . . . . ?
B4' B5' B10' B9' 37.1(2) . . . . ?
C1' B5' B10' B12' 60.5(3) . . . . ?
B9' B5' B10' B12' -37.6(2) . . . . ?
B6' B5' B10' B12' 100.8(2) . . . . ?
B4' B5' B10' B12' -0.5(3) . . . . ?
C1' C2' B11' B6' 39.0(2) . . . . ?
B7' C2' B11' B6' 143.1(2) . . . . ?
Co1 C2' B11' B6' 114.4(2) . . . . ?
C1' C2' B11' B12' -63.7(3) . . . . ?
B7' C2' B11' B12' 40.39(19) . . . . ?
B6' C2' B11' B12' -102.7(2) . . . . ?
Co1 C2' B11' B12' 11.7(3) . . . . ?
C1' C2' B11' B10' -1.2(3) . . . . ?
B7' C2' B11' B10' 102.9(2) . . . . ?
B6' C2' B11' B10' -40.2(2) . . . . ?
Co1 C2' B11' B10' 74.2(3) . . . . ?
C1' C2' B11' B7' -104.1(2) . . . . ?
B6' C2' B11' B7' -143.1(2) . . . . ?
Co1 C2' B11' B7' -28.7(2) . . . . ?
C1' B6' B11' C2' -34.72(19) . . . . ?
B5' B6' B11' C2' -95.2(2) . . . . ?
B10' B6' B11' C2' -134.0(2) . . . . ?
C2' B6' B11' B12' 96.7(2) . . . . ?
C1' B6' B11' B12' 61.9(3) . . . . ?
B5' B6' B11' B12' 1.4(3) . . . . ?
B10' B6' B11' B12' -37.3(2) . . . . ?
C2' B6' B11' B10' 134.0(2) . . . . ?
C1' B6' B11' B10' 99.3(2) . . . . ?
B5' B6' B11' B10' 38.8(2) . . . . ?
C2' B6' B11' B7' 32.86(19) . . . . ?
C1' B6' B11' B7' -1.9(3) . . . . ?
B5' B6' B11' B7' -62.4(3) . . . . ?
B10' B6' B11' B7' -101.1(2) . . . . ?
B6' B10' B11' C2' 40.11(19) . . . . ?
B9' B10' B11' C2' -60.2(3) . . . . ?
B12' B10' B11' C2' -98.3(2) . . . . ?
B5' B10' B11' C2' 2.1(3) . . . . ?
B9' B10' B11' B6' -100.3(2) . . . . ?
B12' B10' B11' B6' -138.4(2) . . . . ?
B5' B10' B11' B6' -38.0(2) . . . . ?
B6' B10' B11' B12' 138.4(2) . . . . ?
B9' B10' B11' B12' 38.0(2) . . . . ?
B5' B10' B11' B12' 100.3(2) . . . . ?
B6' B10' B11' B7' 101.6(2) . . . . ?
B9' B10' B11' B7' 1.3(3) . . . . ?
B12' B10' B11' B7' -36.7(2) . . . . ?
B5' B10' B11' B7' 63.6(3) . . . . ?
B12' B7' B11' C2' 133.7(2) . . . . ?
B8' B7' B11' C2' 97.0(2) . . . . ?
Co1 B7' B11' C2' 24.62(17) . . . . ?
C2' B7' B11' B6' -33.3(2) . . . . ?
B12' B7' B11' B6' 100.4(2) . . . . ?
B8' B7' B11' B6' 63.7(3) . . . . ?
Co1 B7' B11' B6' -8.7(3) . . . . ?
C2' B7' B11' B12' -133.7(2) . . . . ?
B8' B7' B11' B12' -36.69(19) . . . . ?
Co1 B7' B11' B12' -109.1(2) . . . . ?
C2' B7' B11' B10' -96.9(2) . . . . ?
B12' B7' B11' B10' 36.8(2) . . . . ?
B8' B7' B11' B10' 0.1(3) . . . . ?
Co1 B7' B11' B10' -72.3(2) . . . . ?
C2' B11' B12' B9' 61.4(3) . . . . ?
B6' B11' B12' B9' -1.0(3) . . . . ?
B10' B11' B12' B9' -38.1(2) . . . . ?
B7' B11' B12' B9' 101.1(2) . . . . ?
C2' B11' B12' B10' 99.6(2) . . . . ?
B6' B11' B12' B10' 37.2(2) . . . . ?
B7' B11' B12' B10' 139.2(2) . . . . ?
C2' B11' B12' B7' -39.64(19) . . . . ?
B6' B11' B12' B7' -102.1(2) . . . . ?
B10' B11' B12' B7' -139.2(2) . . . . ?
C2' B11' B12' B8' -2.5(3) . . . . ?
B6' B11' B12' B8' -65.0(3) . . . . ?
B10' B11' B12' B8' -102.1(2) . . . . ?
B7' B11' B12' B8' 37.09(19) . . . . ?
B5' B9' B12' B11' 0.1(3) . . . . ?
B4' B9' B12' B11' -64.1(3) . . . . ?
B10' B9' B12' B11' 38.2(2) . . . . ?
B8' B9' B12' B11' -102.6(2) . . . . ?
B5' B9' B12' B10' -38.1(2) . . . . ?
B4' B9' B12' B10' -102.3(2) . . . . ?
B8' B9' B12' B10' -140.8(2) . . . . ?
B5' B9' B12' B7' 64.1(3) . . . . ?
B4' B9' B12' B7' -0.1(3) . . . . ?
B10' B9' B12' B7' 102.2(2) . . . . ?
B8' B9' B12' B7' -38.61(19) . . . . ?
B5' B9' B12' B8' 102.8(2) . . . . ?
B4' B9' B12' B8' 38.49(19) . . . . ?
B10' B9' B12' B8' 140.8(2) . . . . ?
B6' B10' B12' B11' -37.0(2) . . . . ?
B9' B10' B12' B11' -137.2(2) . . . . ?
B5' B10' B12' B11' -99.8(2) . . . . ?
B6' B10' B12' B9' 100.1(2) . . . . ?
B11' B10' B12' B9' 137.2(2) . . . . ?
B5' B10' B12' B9' 37.3(2) . . . . ?
B6' B10' B12' B7' 0.0(3) . . . . ?
B11' B10' B12' B7' 37.0(2) . . . . ?
B9' B10' B12' B7' -100.1(2) . . . . ?
B5' B10' B12' B7' -62.8(3) . . . . ?
B6' B10' B12' B8' 64.4(3) . . . . ?
B11' B10' B12' B8' 101.5(2) . . . . ?
B9' B10' B12' B8' -35.7(2) . . . . ?
B5' B10' B12' B8' 1.6(3) . . . . ?
C2' B7' B12' B11' 38.87(18) . . . . ?
B8' B7' B12' B11' 139.1(2) . . . . ?
Co1 B7' B12' B11' 105.1(2) . . . . ?
C2' B7' B12' B9' -61.6(2) . . . . ?
B11' B7' B12' B9' -100.5(2) . . . . ?
B8' B7' B12' B9' 38.62(19) . . . . ?
Co1 B7' B12' B9' 4.6(3) . . . . ?
C2' B7' B12' B10' 2.0(3) . . . . ?
B11' B7' B12' B10' -36.8(2) . . . . ?
B8' B7' B12' B10' 102.3(2) . . . . ?
Co1 B7' B12' B10' 68.3(2) . . . . ?
C2' B7' B12' B8' -100.2(2) . . . . ?
B11' B7' B12' B8' -139.1(2) . . . . ?
Co1 B7' B12' B8' -33.99(18) . . . . ?
O1' B8' B12' B11' -153.3(2) . . . . ?
B4' B8' B12' B11' 62.1(2) . . . . ?
B9' B8' B12' B11' 99.7(2) . . . . ?
B7' B8' B12' B11' -37.2(2) . . . . ?
Co1 B8' B12' B11' -5.5(3) . . . . ?
O1' B8' B12' B9' 107.0(3) . . . . ?
B4' B8' B12' B9' -37.65(19) . . . . ?
B7' B8' B12' B9' -136.9(2) . . . . ?
Co1 B8' B12' B9' -105.2(2) . . . . ?
O1' B8' B12' B10' 142.5(2) . . . . ?
B4' B8' B12' B10' -2.1(3) . . . . ?
B9' B8' B12' B10' 35.5(2) . . . . ?
B7' B8' B12' B10' -101.4(2) . . . . ?
Co1 B8' B12' B10' -69.7(2) . . . . ?
O1' B8' B12' B7' -116.1(3) . . . . ?
B4' B8' B12' B7' 99.3(2) . . . . ?
B9' B8' B12' B7' 136.9(2) . . . . ?
Co1 B8' B12' B7' 31.71(17) . . . . ?
K1 Cl1S C1S Cl2S 80.9(2) . . . . ?
K1 O1S C2S C3S -77.4(4) . . . . ?
K1 O1S C2S C4S 101.6(4) . . . . ?

_refine_diff_density_max         1.328
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.081

_shelxl_version_number           2014/6



