#------------------------------------------------------------------------------
#$Date: 2024-04-05 02:21:23 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290924 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/50/7715073.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7715073
loop_
_publ_author_name
'Riffle, Jared R.'
'Hemingway, Tyler M.'
'Smith, Mark D.'
'Peryshkov, Dmitry V.'
_publ_section_title
;
 Synthesis and cluster structure distortions of biscarborane dithiol,
 thioether, and disulfide.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4444
_journal_page_last               4450
_journal_paper_doi               10.1039/d3dt04289h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C28 H68 B20 K2 O6 S2'
_chemical_formula_sum            'C28 H68 B20 K2 O6 S2'
_chemical_formula_weight         859.34
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2019-09-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-12-13 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_cell_angle_alpha                95.495(2)
_cell_angle_beta                 106.1310(10)
_cell_angle_gamma                107.5560(10)
_cell_formula_units_Z            1
_cell_length_a                   9.8304(3)
_cell_length_b                   10.2692(4)
_cell_length_c                   12.8148(4)
_cell_measurement_reflns_used    9978
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.481
_cell_measurement_theta_min      2.369
_cell_volume                     1161.85(7)
_computing_cell_refinement       'SAINT+ Ver. 8.38A (Bruker-AXS, 2016)'
_computing_data_collection       'Bruker APEX3 v2016.5-0 (Bruker, 2016)'
_computing_data_reduction        'SAINT+ Ver. 8.38A (Bruker-AXS, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker PHOTON-100 area detector'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28320
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.649
_diffrn_reflns_theta_min         2.296
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.332
_exptl_absorpt_correction_T_max  0.4935
_exptl_absorpt_correction_T_min  0.4522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. 
wR2(int) was 0.1016 before and 0.0499 after correction. 
The Ratio of minimum to maximum transmission is 0.9163.
 The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_description       needle
_exptl_crystal_F_000             454
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       0.0053(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         7111
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0369P)²+0.4232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0803
_refine_ls_wR_factor_ref         0.0879
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5576
_reflns_number_total             7111
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04289h2.cif
_cod_data_source_block           th01083a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7715071--7715076.cif.
;
_cod_database_code               7715073
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.984
_shelx_estimated_absorpt_t_min   0.931
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
2. Shared sites
{O3A, O3B}
{C31A, C31B}
{C34A, C34B}
3. Uiso/Uaniso restraints and constraints
Uanis(O3A) = Uanis(O3B)
Uanis(C31A) = Uanis(C31B)
Uanis(C34A) = Uanis(C34B)
Uanis(C33A) = Uanis(C33B)
4. Same fragment restrains
{O1, C11, C12, C13, C14} sigma for 1-2: 0.01, 1-3: 0.04
as
{O3A, C31A, C32A, C33A, C34A}
{O1, C11, C12, C13, C14} sigma for 1-2: 0.01, 1-3: 0.04
as
{O3B, C31B, C32B, C33B, C34B}
5. Others
 Sof(O3B)=Sof(C31B)=Sof(H31C)=Sof(H31D)=Sof(C32B)=Sof(H32C)=Sof(H32D)=
 Sof(C33B)=Sof(H33C)=Sof(H33D)=Sof(C34B)=Sof(H34C)=Sof(H34D)=1-FVAR(1)
 Sof(O3A)=Sof(C31A)=Sof(H31A)=Sof(H31B)=Sof(C32A)=Sof(H32A)=Sof(H32B)=
 Sof(C33A)=Sof(H33A)=Sof(H33B)=Sof(C34A)=Sof(H34A)=Sof(H34B)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C21(H21A,
 H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C31A(H31A,H31B),
 C32A(H32A,H32B), C33A(H33A,H33B), C34A(H34A,H34B), C31B(H31C,H31D), C32B(H32C,
 H32D), C33B(H33C,H33D), C34B(H34C,H34D)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
K1 K 0.17764(3) 0.60638(3) 0.71570(2) 0.01557(7) Uani 1 1 d . . . . .
S1 S 0.14671(3) 0.50962(3) 0.45937(2) 0.01548(8) Uani 1 1 d . . . . .
O1 O 0.16688(12) 0.37745(10) 0.79870(8) 0.0270(2) Uani 1 1 d D . . . .
C11 C 0.27774(17) 0.38101(15) 0.89999(11) 0.0237(3) Uani 1 1 d D . . . .
H11A H 0.241517 0.394143 0.963663 0.028 Uiso 1 1 calc R . . . .
H11B H 0.373142 0.458319 0.912141 0.028 Uiso 1 1 calc R . . . .
C12 C 0.30146(18) 0.24252(16) 0.88746(13) 0.0297(3) Uani 1 1 d D . . . .
H12A H 0.330535 0.214439 0.959893 0.036 Uiso 1 1 calc R . . . .
H12B H 0.379399 0.244965 0.851883 0.036 Uiso 1 1 calc R . . . .
C13 C 0.14684(19) 0.14612(15) 0.81338(13) 0.0296(3) Uani 1 1 d D . . . .
H13A H 0.152831 0.062147 0.772731 0.035 Uiso 1 1 calc R . . . .
H13B H 0.077080 0.117376 0.856384 0.035 Uiso 1 1 calc R . . . .
C14 C 0.09891(19) 0.23791(16) 0.73555(12) 0.0302(3) Uani 1 1 d D . . . .
H14A H 0.134297 0.229598 0.670860 0.036 Uiso 1 1 calc R . . . .
H14B H -0.012283 0.211028 0.708729 0.036 Uiso 1 1 calc R . . . .
O2 O 0.22315(13) 0.71880(11) 0.92729(8) 0.0293(2) Uani 1 1 d . . . . .
C21 C 0.15837(17) 0.67007(15) 1.00995(11) 0.0251(3) Uani 1 1 d . . . . .
H21A H 0.189284 0.591813 1.034551 0.030 Uiso 1 1 calc R . . . .
H21B H 0.046940 0.637731 0.979956 0.030 Uiso 1 1 calc R . . . .
C22 C 0.2161(2) 0.79144(17) 1.10473(13) 0.0348(4) Uani 1 1 d . . . . .
H22A H 0.311987 0.794588 1.158480 0.042 Uiso 1 1 calc R . . . .
H22B H 0.141379 0.787941 1.143596 0.042 Uiso 1 1 calc R . . . .
C23 C 0.2395(2) 0.91470(17) 1.04701(14) 0.0379(4) Uani 1 1 d . . . . .
H23A H 0.144030 0.932056 1.015457 0.045 Uiso 1 1 calc R . . . .
H23B H 0.315614 1.000251 1.097972 0.045 Uiso 1 1 calc R . . . .
C24 C 0.2947(2) 0.86619(17) 0.95779(14) 0.0402(4) Uani 1 1 d . . . . .
H24A H 0.267993 0.910083 0.893164 0.048 Uiso 1 1 calc R . . . .
H24B H 0.405670 0.891038 0.985573 0.048 Uiso 1 1 calc R . . . .
O3A O 0.23452(11) 0.86639(10) 0.67175(8) 0.0222(2) Uani 0.611(12) 1 d D . P A 1
C31A C 0.38296(15) 0.96760(15) 0.69826(12) 0.0228(3) Uani 0.611(12) 1 d D . P A
1
H31A H 0.458536 0.920833 0.703810 0.027 Uiso 0.611(12) 1 calc R . P A 1
H31B H 0.410055 1.030942 0.769803 0.027 Uiso 0.611(12) 1 calc R . P A 1
C32A C 0.3781(5) 1.0475(4) 0.6058(3) 0.0270(9) Uani 0.611(12) 1 d D . P A 1
H32A H 0.475212 1.074413 0.590684 0.032 Uiso 0.611(12) 1 calc R . P A 1
H32B H 0.354287 1.132406 0.623485 0.032 Uiso 0.611(12) 1 calc R . P A 1
C33A C 0.2516(6) 0.9438(8) 0.5076(4) 0.0284(12) Uani 0.611(12) 1 d D . P A 1
H33A H 0.206981 0.991437 0.450880 0.034 Uiso 0.611(12) 1 calc R . P A 1
H33B H 0.286784 0.875586 0.472880 0.034 Uiso 0.611(12) 1 calc R . P A 1
C34A C 0.14313(16) 0.87655(15) 0.56545(11) 0.0232(3) Uani 0.611(12) 1 d D . P A
1
H34A H 0.081016 0.934029 0.574796 0.028 Uiso 0.611(12) 1 calc R . P A 1
H34B H 0.075358 0.782951 0.522380 0.028 Uiso 0.611(12) 1 calc R . P A 1
O3B O 0.23452(11) 0.86639(10) 0.67175(8) 0.0222(2) Uani 0.389(12) 1 d D . P A 2
C31B C 0.38296(15) 0.96760(15) 0.69826(12) 0.0228(3) Uani 0.389(12) 1 d D . P A
2
H31C H 0.460075 0.927930 0.734087 0.027 Uiso 0.389(12) 1 calc R . P A 2
H31D H 0.394012 1.051038 0.749966 0.027 Uiso 0.389(12) 1 calc R . P A 2
C32B C 0.4036(8) 1.0072(9) 0.5897(5) 0.0373(18) Uani 0.389(12) 1 d D . P A 2
H32C H 0.419923 1.107354 0.590707 0.045 Uiso 0.389(12) 1 calc R . P A 2
H32D H 0.489675 0.985936 0.576154 0.045 Uiso 0.389(12) 1 calc R . P A 2
C33B C 0.2544(9) 0.9159(14) 0.5026(7) 0.0284(12) Uani 0.389(12) 1 d D . P A 2
H33C H 0.220838 0.968060 0.445384 0.034 Uiso 0.389(12) 1 calc R . P A 2
H33D H 0.264896 0.831733 0.466137 0.034 Uiso 0.389(12) 1 calc R . P A 2
C34B C 0.14313(16) 0.87655(15) 0.56545(11) 0.0232(3) Uani 0.389(12) 1 d D . P A
2
H34C H 0.097338 0.949071 0.573217 0.028 Uiso 0.389(12) 1 calc R . P A 2
H34D H 0.062037 0.786451 0.527805 0.028 Uiso 0.389(12) 1 calc R . P A 2
C1 C 0.23530(13) 0.44299(13) 0.38186(9) 0.0128(2) Uani 1 1 d . . . . .
C2 C 0.45524(13) 0.46264(12) 0.44117(9) 0.0107(2) Uani 1 1 d . . . . .
B1 B 0.30812(15) 0.30997(14) 0.41869(11) 0.0131(3) Uani 1 1 d . . . . .
H1 H 0.2898(16) 0.2684(15) 0.4903(12) 0.015(4) Uiso 1 1 d . . . . .
B2 B 0.15812(15) 0.28864(15) 0.29429(11) 0.0137(3) Uani 1 1 d . . . . .
H2 H 0.0433(18) 0.2265(16) 0.2885(13) 0.022(4) Uiso 1 1 d . . . . .
B3 B 0.20904(15) 0.45050(15) 0.24792(11) 0.0140(3) Uani 1 1 d . . . . .
H3 H 0.1303(17) 0.4970(15) 0.2129(12) 0.017(4) Uiso 1 1 d . . . . .
B4 B 0.38583(15) 0.55580(14) 0.34823(11) 0.0125(2) Uani 1 1 d . . . . .
H4 H 0.4103(17) 0.6643(15) 0.3728(12) 0.016(4) Uiso 1 1 d . . . . .
B5 B 0.47476(15) 0.31955(14) 0.38237(11) 0.0128(2) Uani 1 1 d . . . . .
H5 H 0.5543(18) 0.2810(16) 0.4308(13) 0.020(4) Uiso 1 1 d . . . . .
B6 B 0.29554(16) 0.21187(15) 0.29075(11) 0.0144(3) Uani 1 1 d . . . . .
H6 H 0.2664(18) 0.0989(17) 0.2772(13) 0.023(4) Uiso 1 1 d . . . . .
B7 B 0.23693(15) 0.30236(15) 0.18463(11) 0.0145(3) Uani 1 1 d . . . . .
H7 H 0.1657(17) 0.2486(16) 0.0983(13) 0.020(4) Uiso 1 1 d . . . . .
B8 B 0.37733(16) 0.47114(15) 0.21655(11) 0.0142(3) Uani 1 1 d . . . . .
H8 H 0.4025(18) 0.5285(16) 0.1540(13) 0.022(4) Uiso 1 1 d . . . . .
B9 B 0.52511(15) 0.48065(14) 0.33597(11) 0.0126(3) Uani 1 1 d . . . . .
H9 H 0.6388(17) 0.5491(15) 0.3548(12) 0.015(4) Uiso 1 1 d . . . . .
B10 B 0.42943(16) 0.32136(15) 0.23820(11) 0.0148(3) Uani 1 1 d . . . . .
H10 H 0.4882(17) 0.2829(16) 0.1883(13) 0.021(4) Uiso 1 1 d . . . . .
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'
K K 0.2009 0.2494 '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'
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
S1 K1 S1 62.023(11) 2_566 . ?
S1 K1 B9 62.60(2) . 2_666 ?
S1 K1 B9 120.64(2) 2_566 2_666 ?
S1 K1 B10 145.85(2) 2_566 2_666 ?
S1 K1 B10 83.86(2) . 2_666 ?
O1 K1 S1 97.27(2) . 2_566 ?
O1 K1 S1 103.55(2) . . ?
O1 K1 O2 82.66(3) . . ?
O1 K1 O3A 168.05(3) . . ?
O1 K1 O3B 168.05(3) . . ?
O1 K1 B9 76.41(3) . 2_666 ?
O1 K1 H9 66.1(3) . 2_666 ?
O1 K1 B10 88.97(3) . 2_666 ?
O1 K1 H10 90.9(3) . 2_666 ?
O2 K1 S1 121.08(3) . 2_566 ?
O2 K1 S1 172.93(3) . . ?
O2 K1 O3A 87.90(3) . . ?
O2 K1 O3B 87.90(3) . . ?
O2 K1 B9 116.50(3) . 2_666 ?
O2 K1 H9 124.9(3) . 2_666 ?
O2 K1 B10 92.97(3) . 2_666 ?
O2 K1 H10 77.3(3) . 2_666 ?
O3A K1 S1 85.50(2) . . ?
O3A K1 S1 93.86(2) . 2_566 ?
O3A K1 B9 101.55(3) . 2_666 ?
O3A K1 H9 114.5(3) . 2_666 ?
O3A K1 B10 84.21(3) . 2_666 ?
O3A K1 H10 79.9(3) . 2_666 ?
O3B K1 S1 85.50(2) . . ?
O3B K1 B10 84.21(3) . 2_666 ?
B9 K1 B10 29.05(3) 2_666 2_666 ?
H9 K1 S1 56.4(3) 2_666 . ?
H9 K1 S1 107.5(3) 2_666 2_566 ?
H9 K1 B9 16.7(3) 2_666 2_666 ?
H9 K1 B10 45.2(3) 2_666 2_666 ?
H10 K1 S1 160.6(3) 2_666 2_566 ?
H10 K1 S1 99.0(3) 2_666 . ?
H10 K1 B9 44.5(3) 2_666 2_666 ?
H10 K1 H9 60.0(4) 2_666 2_666 ?
H10 K1 B10 16.2(3) 2_666 2_666 ?
K1 S1 K1 117.976(10) 2_566 . ?
C1 S1 K1 140.51(4) . . ?
C1 S1 K1 97.24(4) . 2_566 ?
C11 O1 K1 120.94(8) . . ?
C11 O1 C14 109.49(11) . . ?
C14 O1 K1 125.22(8) . . ?
O1 C11 H11A 110.5 . . ?
O1 C11 H11B 110.5 . . ?
O1 C11 C12 106.11(11) . . ?
H11A C11 H11B 108.7 . . ?
C12 C11 H11A 110.5 . . ?
C12 C11 H11B 110.5 . . ?
C11 C12 H12A 111.4 . . ?
C11 C12 H12B 111.4 . . ?
C11 C12 C13 101.91(12) . . ?
H12A C12 H12B 109.3 . . ?
C13 C12 H12A 111.4 . . ?
C13 C12 H12B 111.4 . . ?
C12 C13 H13A 111.4 . . ?
C12 C13 H13B 111.4 . . ?
H13A C13 H13B 109.3 . . ?
C14 C13 C12 101.73(12) . . ?
C14 C13 H13A 111.4 . . ?
C14 C13 H13B 111.4 . . ?
O1 C14 C13 105.97(12) . . ?
O1 C14 H14A 110.5 . . ?
O1 C14 H14B 110.5 . . ?
C13 C14 H14A 110.5 . . ?
C13 C14 H14B 110.5 . . ?
H14A C14 H14B 108.7 . . ?
C21 O2 K1 133.28(8) . . ?
C24 O2 K1 115.50(9) . . ?
C24 O2 C21 109.04(11) . . ?
O2 C21 H21A 110.5 . . ?
O2 C21 H21B 110.5 . . ?
O2 C21 C22 106.34(12) . . ?
H21A C21 H21B 108.7 . . ?
C22 C21 H21A 110.5 . . ?
C22 C21 H21B 110.5 . . ?
C21 C22 H22A 111.3 . . ?
C21 C22 H22B 111.3 . . ?
C21 C22 C23 102.35(12) . . ?
H22A C22 H22B 109.2 . . ?
C23 C22 H22A 111.3 . . ?
C23 C22 H22B 111.3 . . ?
C22 C23 H23A 111.5 . . ?
C22 C23 H23B 111.5 . . ?
H23A C23 H23B 109.3 . . ?
C24 C23 C22 101.54(13) . . ?
C24 C23 H23A 111.5 . . ?
C24 C23 H23B 111.5 . . ?
O2 C24 C23 106.64(13) . . ?
O2 C24 H24A 110.4 . . ?
O2 C24 H24B 110.4 . . ?
C23 C24 H24A 110.4 . . ?
C23 C24 H24B 110.4 . . ?
H24A C24 H24B 108.6 . . ?
C31A O3A K1 124.33(8) . . ?
C31A O3A C34A 108.59(10) . . ?
C34A O3A K1 115.43(8) . . ?
O3A C31A H31A 110.4 . . ?
O3A C31A H31B 110.4 . . ?
O3A C31A C32A 106.41(19) . . ?
H31A C31A H31B 108.6 . . ?
C32A C31A H31A 110.4 . . ?
C32A C31A H31B 110.4 . . ?
C31A C32A H32A 111.1 . . ?
C31A C32A H32B 111.1 . . ?
C31A C32A C33A 103.1(3) . . ?
H32A C32A H32B 109.1 . . ?
C33A C32A H32A 111.1 . . ?
C33A C32A H32B 111.1 . . ?
C32A C33A H33A 111.8 . . ?
C32A C33A H33B 111.8 . . ?
H33A C33A H33B 109.5 . . ?
C34A C33A C32A 100.1(3) . . ?
C34A C33A H33A 111.8 . . ?
C34A C33A H33B 111.8 . . ?
O3A C34A C33A 105.9(3) . . ?
O3A C34A H34A 110.6 . . ?
O3A C34A H34B 110.6 . . ?
C33A C34A H34A 110.6 . . ?
C33A C34A H34B 110.6 . . ?
H34A C34A H34B 108.7 . . ?
C31B O3B K1 124.33(8) . . ?
C31B O3B C34B 108.59(10) . . ?
C34B O3B K1 115.43(8) . . ?
O3B C31B H31C 110.2 . . ?
O3B C31B H31D 110.2 . . ?
O3B C31B C32B 107.8(3) . . ?
H31C C31B H31D 108.5 . . ?
C32B C31B H31C 110.2 . . ?
C32B C31B H31D 110.2 . . ?
C31B C32B H32C 111.2 . . ?
C31B C32B H32D 111.2 . . ?
H32C C32B H32D 109.1 . . ?
C33B C32B C31B 102.9(5) . . ?
C33B C32B H32C 111.2 . . ?
C33B C32B H32D 111.2 . . ?
C32B C33B H33C 110.7 . . ?
C32B C33B H33D 110.7 . . ?
H33C C33B H33D 108.8 . . ?
C34B C33B C32B 105.4(5) . . ?
C34B C33B H33C 110.7 . . ?
C34B C33B H33D 110.7 . . ?
O3B C34B C33B 103.4(4) . . ?
O3B C34B H34C 111.1 . . ?
O3B C34B H34D 111.1 . . ?
C33B C34B H34C 111.1 . . ?
C33B C34B H34D 111.1 . . ?
H34C C34B H34D 109.0 . . ?
S1 C1 C2 122.65(7) . . ?
S1 C1 B1 121.51(8) . . ?
S1 C1 B4 120.14(8) . . ?
B1 C1 C2 53.36(6) . . ?
B1 C1 B4 100.75(9) . . ?
B2 C1 S1 124.82(8) . . ?
B2 C1 C2 103.00(8) . . ?
B2 C1 B1 62.47(8) . . ?
B2 C1 B3 64.73(8) . . ?
B2 C1 B4 111.21(9) . . ?
B3 C1 S1 123.76(9) . . ?
B3 C1 C2 103.11(8) . . ?
B3 C1 B1 111.29(9) . . ?
B3 C1 B4 62.48(8) . . ?
B4 C1 C2 53.46(6) . . ?
C2 C2 C1 118.92(11) 2_666 . ?
C2 C2 B1 118.53(12) 2_666 . ?
C2 C2 B4 118.37(12) 2_666 . ?
C2 C2 B5 123.11(12) 2_666 . ?
C2 C2 B9 123.13(12) 2_666 . ?
B1 C2 C1 55.74(7) . . ?
B1 C2 B4 104.93(9) . . ?
B4 C2 C1 55.76(7) . . ?
B5 C2 C1 107.64(8) . . ?
B5 C2 B1 64.17(8) . . ?
B5 C2 B4 114.08(9) . . ?
B5 C2 B9 64.48(8) . . ?
B9 C2 C1 107.39(8) . . ?
B9 C2 B1 114.07(9) . . ?
B9 C2 B4 63.87(8) . . ?
C1 B1 H1 117.5(8) . . ?
C1 B1 B2 56.23(7) . . ?
C1 B1 B5 113.79(9) . . ?
C1 B1 B6 105.62(9) . . ?
C2 B1 C1 70.90(8) . . ?
C2 B1 H1 118.0(8) . . ?
C2 B1 B2 111.78(9) . . ?
C2 B1 B5 56.77(7) . . ?
C2 B1 B6 104.88(9) . . ?
B2 B1 H1 123.0(8) . . ?
B2 B1 B5 108.15(9) . . ?
B2 B1 B6 59.10(8) . . ?
B5 B1 H1 121.3(8) . . ?
B6 B1 H1 126.3(8) . . ?
B6 B1 B5 59.00(7) . . ?
C1 B2 B1 61.30(7) . . ?
C1 B2 H2 116.5(8) . . ?
C1 B2 B3 57.65(7) . . ?
C1 B2 B6 111.01(9) . . ?
C1 B2 B7 107.86(10) . . ?
B1 B2 H2 118.5(8) . . ?
B1 B2 B3 105.13(9) . . ?
B3 B2 H2 124.8(8) . . ?
B6 B2 B1 60.59(8) . . ?
B6 B2 H2 121.9(8) . . ?
B6 B2 B3 107.90(10) . . ?
B6 B2 B7 60.31(8) . . ?
B7 B2 B1 107.17(9) . . ?
B7 B2 H2 127.0(8) . . ?
B7 B2 B3 59.90(8) . . ?
C1 B3 B2 57.62(7) . . ?
C1 B3 H3 115.0(8) . . ?
C1 B3 B4 61.33(7) . . ?
C1 B3 B7 107.66(10) . . ?
C1 B3 B8 110.88(9) . . ?
B2 B3 H3 122.9(8) . . ?
B4 B3 B2 105.06(9) . . ?
B4 B3 H3 119.5(8) . . ?
B7 B3 B2 59.68(8) . . ?
B7 B3 H3 127.5(8) . . ?
B7 B3 B4 107.08(10) . . ?
B8 B3 B2 107.70(10) . . ?
B8 B3 H3 124.2(8) . . ?
B8 B3 B4 60.50(8) . . ?
B8 B3 B7 60.33(8) . . ?
C1 B4 B3 56.19(7) . . ?
C1 B4 H4 116.6(8) . . ?
C1 B4 B8 105.53(9) . . ?
C1 B4 B9 113.73(10) . . ?
C2 B4 C1 70.77(7) . . ?
C2 B4 B3 111.68(10) . . ?
C2 B4 H4 120.4(8) . . ?
C2 B4 B8 104.82(9) . . ?
C2 B4 B9 56.87(7) . . ?
B3 B4 H4 120.2(8) . . ?
B3 B4 B8 59.11(7) . . ?
B3 B4 B9 108.11(9) . . ?
B8 B4 H4 125.4(8) . . ?
B8 B4 B9 58.91(7) . . ?
B9 B4 H4 123.5(8) . . ?
C2 B5 B1 59.06(7) . . ?
C2 B5 H5 117.7(8) . . ?
C2 B5 B6 107.76(10) . . ?
C2 B5 B9 57.82(7) . . ?
C2 B5 B10 106.13(10) . . ?
B1 B5 H5 118.9(8) . . ?
B6 B5 B1 60.26(8) . . ?
B6 B5 H5 123.7(9) . . ?
B6 B5 B9 107.78(10) . . ?
B6 B5 B10 60.48(8) . . ?
B9 B5 B1 104.98(9) . . ?
B9 B5 H5 123.6(8) . . ?
B10 B5 B1 107.00(9) . . ?
B10 B5 H5 127.8(8) . . ?
B10 B5 B9 59.74(8) . . ?
B1 B6 H6 121.5(8) . . ?
B2 B6 B1 60.31(8) . . ?
B2 B6 B5 110.58(10) . . ?
B2 B6 H6 120.7(8) . . ?
B2 B6 B7 60.27(8) . . ?
B2 B6 B10 108.48(10) . . ?
B5 B6 B1 60.75(7) . . ?
B5 B6 H6 119.5(9) . . ?
B5 B6 B7 108.35(10) . . ?
B5 B6 B10 60.03(8) . . ?
B7 B6 B1 106.92(10) . . ?
B7 B6 H6 123.4(8) . . ?
B7 B6 B10 59.33(8) . . ?
B10 B6 B1 107.03(9) . . ?
B10 B6 H6 122.7(8) . . ?
B2 B7 B3 60.42(8) . . ?
B2 B7 B6 59.42(8) . . ?
B2 B7 H7 120.3(8) . . ?
B2 B7 B8 107.46(9) . . ?
B3 B7 H7 120.0(8) . . ?
B6 B7 B3 107.61(9) . . ?
B6 B7 H7 123.0(8) . . ?
B6 B7 B8 107.38(9) . . ?
B8 B7 B3 59.30(8) . . ?
B8 B7 H7 122.6(8) . . ?
B10 B7 B2 108.75(9) . . ?
B10 B7 B3 108.62(9) . . ?
B10 B7 B6 60.50(8) . . ?
B10 B7 H7 122.7(8) . . ?
B10 B7 B8 60.33(8) . . ?
B3 B8 B4 60.40(7) . . ?
B3 B8 B7 60.37(8) . . ?
B3 B8 H8 121.0(8) . . ?
B3 B8 B10 108.69(10) . . ?
B4 B8 H8 122.1(8) . . ?
B7 B8 B4 107.03(9) . . ?
B7 B8 H8 123.0(8) . . ?
B9 B8 B3 110.66(9) . . ?
B9 B8 B4 60.72(7) . . ?
B9 B8 B7 108.34(10) . . ?
B9 B8 H8 119.5(9) . . ?
B9 B8 B10 60.07(8) . . ?
B10 B8 B4 107.16(9) . . ?
B10 B8 B7 59.34(8) . . ?
B10 B8 H8 121.9(8) . . ?
K1 B9 H9 53.5(8) 2_666 . ?
C2 B9 K1 131.20(8) . 2_666 ?
C2 B9 B4 59.27(7) . . ?
C2 B9 B5 57.71(7) . . ?
C2 B9 B8 107.94(9) . . ?
C2 B9 H9 117.3(8) . . ?
C2 B9 B10 106.18(9) . . ?
B4 B9 K1 167.73(8) . 2_666 ?
B4 B9 H9 118.1(8) . . ?
B5 B9 K1 86.93(6) . 2_666 ?
B5 B9 B4 105.25(9) . . ?
B5 B9 H9 123.8(8) . . ?
B8 B9 K1 114.96(7) . 2_666 ?
B8 B9 B4 60.38(8) . . ?
B8 B9 B5 108.04(9) . . ?
B8 B9 H9 123.6(8) . . ?
B8 B9 B10 60.52(8) . . ?
B10 B9 K1 77.35(6) . 2_666 ?
B10 B9 B4 107.25(9) . . ?
B10 B9 B5 59.92(8) . . ?
B10 B9 H9 128.3(8) . . ?
K1 B10 H10 49.1(8) 2_666 . ?
B5 B10 K1 85.17(7) . 2_666 ?
B5 B10 B6 59.49(8) . . ?
B5 B10 B8 107.49(9) . . ?
B5 B10 H10 121.3(8) . . ?
B6 B10 K1 133.69(8) . 2_666 ?
B6 B10 H10 124.1(8) . . ?
B7 B10 K1 165.44(8) . 2_666 ?
B7 B10 B5 108.60(10) . . ?
B7 B10 B6 60.17(8) . . ?
B7 B10 B8 60.33(8) . . ?
B7 B10 B9 108.60(10) . . ?
B7 B10 H10 122.4(8) . . ?
B8 B10 K1 111.79(7) . 2_666 ?
B8 B10 B6 107.14(10) . . ?
B8 B10 H10 121.5(8) . . ?
B9 B10 K1 73.60(6) . 2_666 ?
B9 B10 B5 60.35(8) . . ?
B9 B10 B6 107.48(9) . . ?
B9 B10 B8 59.41(8) . . ?
B9 B10 H10 119.8(8) . . ?
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
K1 S1 3.1370(4) 2_566 ?
K1 S1 3.2415(4) . ?
K1 O1 2.6572(10) . ?
K1 O2 2.7019(10) . ?
K1 O3A 2.7059(10) . ?
K1 O3B 2.7059(10) . ?
K1 B9 3.5089(14) 2_666 ?
K1 H9 2.998(15) 2_666 ?
K1 B10 3.5690(14) 2_666 ?
K1 H10 2.971(16) 2_666 ?
S1 C1 1.7098(12) . ?
O1 C11 1.4334(16) . ?
O1 C14 1.4334(17) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.510(2) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.517(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.514(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
O2 C21 1.4360(17) . ?
O2 C24 1.4248(19) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.500(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.517(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.500(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
O3A C31A 1.4377(16) . ?
O3A C34A 1.4412(16) . ?
C31A H31A 0.9900 . ?
C31A H31B 0.9900 . ?
C31A C32A 1.502(3) . ?
C32A H32A 0.9900 . ?
C32A H32B 0.9900 . ?
C32A C33A 1.530(4) . ?
C33A H33A 0.9900 . ?
C33A H33B 0.9900 . ?
C33A C34A 1.502(4) . ?
C34A H34A 0.9900 . ?
C34A H34B 0.9900 . ?
O3B C31B 1.4377(16) . ?
O3B C34B 1.4412(16) . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C31B C32B 1.535(6) . ?
C32B H32C 0.9900 . ?
C32B H32D 0.9900 . ?
C32B C33B 1.529(7) . ?
C33B H33C 0.9900 . ?
C33B H33D 0.9900 . ?
C33B C34B 1.514(6) . ?
C34B H34C 0.9900 . ?
C34B H34D 0.9900 . ?
C1 C2 2.0217(16) . ?
C1 B1 1.7683(19) . ?
C1 B2 1.6757(18) . ?
C1 B3 1.6762(18) . ?
C1 B4 1.7701(18) . ?
C2 C2 1.507(2) 2_666 ?
C2 B1 1.7166(18) . ?
C2 B4 1.7204(18) . ?
C2 B5 1.6740(18) . ?
C2 B9 1.6761(17) . ?
B1 H1 1.085(14) . ?
B1 B2 1.7876(19) . ?
B1 B5 1.8014(19) . ?
B1 B6 1.7927(19) . ?
B2 H2 1.094(16) . ?
B2 B3 1.794(2) . ?
B2 B6 1.766(2) . ?
B2 B7 1.7810(19) . ?
B3 H3 1.048(15) . ?
B3 B4 1.7891(19) . ?
B3 B7 1.785(2) . ?
B3 B8 1.766(2) . ?
B4 H4 1.062(15) . ?
B4 B8 1.7908(19) . ?
B4 B9 1.797(2) . ?
B5 H5 1.057(16) . ?
B5 B6 1.7697(19) . ?
B5 B9 1.787(2) . ?
B5 B10 1.7794(19) . ?
B6 H6 1.091(16) . ?
B6 B7 1.782(2) . ?
B6 B10 1.787(2) . ?
B7 H7 1.113(15) . ?
B7 B8 1.784(2) . ?
B7 B10 1.766(2) . ?
B8 H8 1.079(16) . ?
B8 B9 1.7642(19) . ?
B8 B10 1.784(2) . ?
B9 H9 1.070(15) . ?
B9 B10 1.7762(19) . ?
B10 H10 1.093(16) . ?
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
K1 S1 C1 C2 -22.42(13) . . . . ?
K1 S1 C1 C2 -176.29(7) 2_566 . . . ?
K1 S1 C1 B1 41.56(12) . . . . ?
K1 S1 C1 B1 -112.31(8) 2_566 . . . ?
K1 S1 C1 B2 -35.84(10) 2_566 . . . ?
K1 S1 C1 B2 118.03(9) . . . . ?
K1 S1 C1 B3 -161.22(7) . . . . ?
K1 S1 C1 B3 44.92(10) 2_566 . . . ?
K1 S1 C1 B4 120.17(8) 2_566 . . . ?
K1 S1 C1 B4 -85.97(10) . . . . ?
K1 O1 C11 C12 -145.68(10) . . . . ?
K1 O1 C14 C13 169.14(9) . . . . ?
K1 O2 C21 C22 -171.66(10) . . . . ?
K1 O2 C24 C23 151.04(12) . . . . ?
K1 O3A C31A C32A 144.1(2) . . . . ?
K1 O3A C34A C33A -122.8(3) . . . . ?
K1 O3B C31B C32B 120.6(4) . . . . ?
K1 O3B C34B C33B -111.4(5) . . . . ?
K1 B9 B10 B5 93.82(7) 2_666 . . . ?
K1 B9 B10 B6 131.47(9) 2_666 . . . ?
K1 B9 B10 B7 -164.90(9) 2_666 . . . ?
K1 B9 B10 B8 -128.58(7) 2_666 . . . ?
S1 C1 B1 C2 -109.43(9) . . . . ?
S1 C1 B1 B2 115.83(10) . . . . ?
S1 C1 B1 B5 -147.58(9) . . . . ?
S1 C1 B1 B6 149.89(8) . . . . ?
S1 C1 B2 B1 -110.82(11) . . . . ?
S1 C1 B2 B3 114.84(11) . . . . ?
S1 C1 B2 B6 -146.73(9) . . . . ?
S1 C1 B2 B7 148.97(9) . . . . ?
S1 C1 B3 B2 -116.36(11) . . . . ?
S1 C1 B3 B4 109.44(11) . . . . ?
S1 C1 B3 B7 -150.35(9) . . . . ?
S1 C1 B3 B8 145.41(9) . . . . ?
S1 C1 B4 C2 110.26(9) . . . . ?
S1 C1 B4 B3 -114.96(10) . . . . ?
S1 C1 B4 B8 -149.12(9) . . . . ?
S1 C1 B4 B9 148.48(8) . . . . ?
O1 C11 C12 C13 -31.40(15) . . . . ?
C11 O1 C14 C13 12.60(16) . . . . ?
C11 C12 C13 C14 37.73(15) . . . . ?
C12 C13 C14 O1 -31.65(16) . . . . ?
C14 O1 C11 C12 12.05(16) . . . . ?
O2 C21 C22 C23 29.39(17) . . . . ?
C21 O2 C24 C23 -14.46(19) . . . . ?
C21 C22 C23 C24 -36.78(19) . . . . ?
C22 C23 C24 O2 32.1(2) . . . . ?
C24 O2 C21 C22 -9.75(18) . . . . ?
O3A C31A C32A C33A -26.2(4) . . . . ?
C31A O3A C34A C33A 22.1(4) . . . . ?
C31A C32A C33A C34A 37.9(5) . . . . ?
C32A C33A C34A O3A -37.1(5) . . . . ?
C34A O3A C31A C32A 3.0(3) . . . . ?
O3B C31B C32B C33B -1.2(8) . . . . ?
C31B O3B C34B C33B 33.6(5) . . . . ?
C31B C32B C33B C34B 21.0(10) . . . . ?
C32B C33B C34B O3B -33.5(9) . . . . ?
C34B O3B C31B C32B -20.5(4) . . . . ?
C1 C2 B1 B2 39.48(8) . . . . ?
C1 C2 B1 B5 137.49(9) . . . . ?
C1 C2 B1 B6 101.71(9) . . . . ?
C1 C2 B4 B3 -39.39(8) . . . . ?
C1 C2 B4 B8 -101.60(9) . . . . ?
C1 C2 B4 B9 -137.44(9) . . . . ?
C1 C2 B5 B1 -35.88(8) . . . . ?
C1 C2 B5 B6 1.07(11) . . . . ?
C1 C2 B5 B9 101.28(9) . . . . ?
C1 C2 B5 B10 64.58(10) . . . . ?
C1 C2 B9 K1 -152.08(7) . . . 2_666 ?
C1 C2 B9 B4 35.87(8) . . . . ?
C1 C2 B9 B5 -101.68(9) . . . . ?
C1 C2 B9 B8 -1.29(12) . . . . ?
C1 C2 B9 B10 -64.89(11) . . . . ?
C1 B1 B2 B3 38.75(8) . . . . ?
C1 B1 B2 B6 141.06(10) . . . . ?
C1 B1 B2 B7 101.35(10) . . . . ?
C1 B1 B5 C2 44.25(9) . . . . ?
C1 B1 B5 B6 -94.50(10) . . . . ?
C1 B1 B5 B9 7.69(12) . . . . ?
C1 B1 B5 B10 -54.68(12) . . . . ?
C1 B1 B6 B2 -32.86(9) . . . . ?
C1 B1 B6 B5 108.70(10) . . . . ?
C1 B1 B6 B7 6.77(12) . . . . ?
C1 B1 B6 B10 69.09(11) . . . . ?
C1 B2 B3 B4 40.64(9) . . . . ?
C1 B2 B3 B7 141.89(10) . . . . ?
C1 B2 B3 B8 103.93(10) . . . . ?
C1 B2 B6 B1 36.20(9) . . . . ?
C1 B2 B6 B5 0.79(14) . . . . ?
C1 B2 B6 B7 -99.16(11) . . . . ?
C1 B2 B6 B10 -63.29(12) . . . . ?
C1 B2 B7 B3 -33.22(9) . . . . ?
C1 B2 B7 B6 104.47(10) . . . . ?
C1 B2 B7 B8 4.22(13) . . . . ?
C1 B2 B7 B10 68.04(12) . . . . ?
C1 B3 B4 C2 46.16(9) . . . . ?
C1 B3 B4 B8 140.91(10) . . . . ?
C1 B3 B4 B9 106.89(10) . . . . ?
C1 B3 B7 B2 33.16(9) . . . . ?
C1 B3 B7 B6 -4.29(13) . . . . ?
C1 B3 B7 B8 -104.43(10) . . . . ?
C1 B3 B7 B10 -68.30(12) . . . . ?
C1 B3 B8 B4 -36.31(9) . . . . ?
C1 B3 B8 B7 98.99(11) . . . . ?
C1 B3 B8 B9 -0.93(14) . . . . ?
C1 B3 B8 B10 63.26(12) . . . . ?
C1 B4 B8 B3 32.94(9) . . . . ?
C1 B4 B8 B7 -6.82(12) . . . . ?
C1 B4 B8 B9 -108.67(10) . . . . ?
C1 B4 B8 B10 -69.20(11) . . . . ?
C1 B4 B9 K1 165.1(3) . . . 2_666 ?
C1 B4 B9 C2 -44.24(9) . . . . ?
C1 B4 B9 B5 -7.98(12) . . . . ?
C1 B4 B9 B8 94.38(10) . . . . ?
C1 B4 B9 B10 54.67(12) . . . . ?
C2 C1 B1 B2 -134.74(9) . . . . ?
C2 C1 B1 B5 -38.15(8) . . . . ?
C2 C1 B1 B6 -100.68(9) . . . . ?
C2 C1 B2 B1 35.80(7) . . . . ?
C2 C1 B2 B3 -98.54(9) . . . . ?
C2 C1 B2 B6 -0.12(11) . . . . ?
C2 C1 B2 B7 -64.41(10) . . . . ?
C2 C1 B3 B2 98.36(9) . . . . ?
C2 C1 B3 B4 -35.84(8) . . . . ?
C2 C1 B3 B7 64.37(10) . . . . ?
C2 C1 B3 B8 0.12(12) . . . . ?
C2 C1 B4 B3 134.78(9) . . . . ?
C2 C1 B4 B8 100.62(10) . . . . ?
C2 C1 B4 B9 38.22(8) . . . . ?
C2 C2 B1 C1 107.20(14) 2_666 . . . ?
C2 C2 B1 B2 146.68(13) 2_666 . . . ?
C2 C2 B1 B5 -115.31(15) 2_666 . . . ?
C2 C2 B1 B6 -151.10(13) 2_666 . . . ?
C2 C2 B4 C1 -107.29(13) 2_666 . . . ?
C2 C2 B4 B3 -146.68(13) 2_666 . . . ?
C2 C2 B4 B8 151.11(12) 2_666 . . . ?
C2 C2 B4 B9 115.27(14) 2_666 . . . ?
C2 C2 B5 B1 108.53(15) 2_666 . . . ?
C2 C2 B5 B6 145.48(13) 2_666 . . . ?
C2 C2 B5 B9 -114.31(15) 2_666 . . . ?
C2 C2 B5 B10 -151.01(13) 2_666 . . . ?
C2 C2 B9 K1 63.87(18) 2_666 . . 2_666 ?
C2 C2 B9 B4 -108.17(16) 2_666 . . . ?
C2 C2 B9 B5 114.28(16) 2_666 . . . ?
C2 C2 B9 B8 -145.33(14) 2_666 . . . ?
C2 C2 B9 B10 151.07(14) 2_666 . . . ?
C2 B1 B2 C1 -46.29(9) . . . . ?
C2 B1 B2 B3 -7.54(12) . . . . ?
C2 B1 B2 B6 94.77(10) . . . . ?
C2 B1 B2 B7 55.06(12) . . . . ?
C2 B1 B5 B6 -138.75(10) . . . . ?
C2 B1 B5 B9 -36.56(8) . . . . ?
C2 B1 B5 B10 -98.94(10) . . . . ?
C2 B1 B6 B2 -106.76(10) . . . . ?
C2 B1 B6 B5 34.79(9) . . . . ?
C2 B1 B6 B7 -67.14(11) . . . . ?
C2 B1 B6 B10 -4.82(12) . . . . ?
C2 B4 B8 B3 106.68(10) . . . . ?
C2 B4 B8 B7 66.92(11) . . . . ?
C2 B4 B8 B9 -34.93(8) . . . . ?
C2 B4 B8 B10 4.54(12) . . . . ?
C2 B4 B9 K1 -150.7(4) . . . 2_666 ?
C2 B4 B9 B5 36.26(8) . . . . ?
C2 B4 B9 B8 138.62(10) . . . . ?
C2 B4 B9 B10 98.91(10) . . . . ?
C2 B5 B6 B1 -36.43(9) . . . . ?
C2 B5 B6 B2 -1.19(13) . . . . ?
C2 B5 B6 B7 63.11(12) . . . . ?
C2 B5 B6 B10 98.85(10) . . . . ?
C2 B5 B9 K1 144.50(7) . . . 2_666 ?
C2 B5 B9 B4 -36.97(8) . . . . ?
C2 B5 B9 B8 -100.22(10) . . . . ?
C2 B5 B9 B10 -138.34(10) . . . . ?
C2 B5 B10 K1 109.70(8) . . . 2_666 ?
C2 B5 B10 B6 -101.60(10) . . . . ?
C2 B5 B10 B7 -65.44(12) . . . . ?
C2 B5 B10 B8 -1.64(12) . . . . ?
C2 B5 B10 B9 35.84(9) . . . . ?
C2 B9 B10 K1 -129.63(8) . . . 2_666 ?
C2 B9 B10 B5 -35.81(9) . . . . ?
C2 B9 B10 B6 1.85(13) . . . . ?
C2 B9 B10 B7 65.47(12) . . . . ?
C2 B9 B10 B8 101.79(10) . . . . ?
B1 C1 B2 B3 -134.34(9) . . . . ?
B1 C1 B2 B6 -35.91(9) . . . . ?
B1 C1 B2 B7 -100.21(10) . . . . ?
B1 C1 B3 B2 42.90(9) . . . . ?
B1 C1 B3 B4 -91.31(10) . . . . ?
B1 C1 B3 B7 8.90(12) . . . . ?
B1 C1 B3 B8 -55.34(12) . . . . ?
B1 C1 B4 C2 -26.26(8) . . . . ?
B1 C1 B4 B3 108.53(9) . . . . ?
B1 C1 B4 B8 74.36(10) . . . . ?
B1 C1 B4 B9 11.97(11) . . . . ?
B1 C2 B4 C1 27.60(8) . . . . ?
B1 C2 B4 B3 -11.79(12) . . . . ?
B1 C2 B4 B8 -73.99(10) . . . . ?
B1 C2 B4 B9 -109.84(10) . . . . ?
B1 C2 B5 B6 36.95(9) . . . . ?
B1 C2 B5 B9 137.16(9) . . . . ?
B1 C2 B5 B10 100.46(10) . . . . ?
B1 C2 B9 K1 -92.49(11) . . . 2_666 ?
B1 C2 B9 B4 95.46(10) . . . . ?
B1 C2 B9 B5 -42.09(10) . . . . ?
B1 C2 B9 B8 58.30(13) . . . . ?
B1 C2 B9 B10 -5.30(13) . . . . ?
B1 B2 B3 C1 -40.54(9) . . . . ?
B1 B2 B3 B4 0.11(12) . . . . ?
B1 B2 B3 B7 101.35(10) . . . . ?
B1 B2 B3 B8 63.40(11) . . . . ?
B1 B2 B6 B5 -35.41(9) . . . . ?
B1 B2 B6 B7 -135.36(10) . . . . ?
B1 B2 B6 B10 -99.49(10) . . . . ?
B1 B2 B7 B3 -97.85(10) . . . . ?
B1 B2 B7 B6 39.84(9) . . . . ?
B1 B2 B7 B8 -60.41(12) . . . . ?
B1 B2 B7 B10 3.40(13) . . . . ?
B1 B5 B6 B2 35.24(9) . . . . ?
B1 B5 B6 B7 99.54(10) . . . . ?
B1 B5 B6 B10 135.28(10) . . . . ?
B1 B5 B9 K1 -178.36(7) . . . 2_666 ?
B1 B5 B9 C2 37.14(8) . . . . ?
B1 B5 B9 B4 0.17(11) . . . . ?
B1 B5 B9 B8 -63.08(11) . . . . ?
B1 B5 B9 B10 -101.21(10) . . . . ?
B1 B5 B10 K1 171.59(8) . . . 2_666 ?
B1 B5 B10 B6 -39.71(9) . . . . ?
B1 B5 B10 B7 -3.55(13) . . . . ?
B1 B5 B10 B8 60.25(12) . . . . ?
B1 B5 B10 B9 97.73(10) . . . . ?
B1 B6 B7 B2 -39.64(9) . . . . ?
B1 B6 B7 B3 -1.75(12) . . . . ?
B1 B6 B7 B8 60.74(11) . . . . ?
B1 B6 B7 B10 100.10(10) . . . . ?
B1 B6 B10 K1 85.67(12) . . . 2_666 ?
B1 B6 B10 B5 39.95(9) . . . . ?
B1 B6 B10 B7 -99.92(10) . . . . ?
B1 B6 B10 B8 -60.62(12) . . . . ?
B1 B6 B10 B9 1.91(13) . . . . ?
B2 C1 B1 C2 134.74(9) . . . . ?
B2 C1 B1 B5 96.59(10) . . . . ?
B2 C1 B1 B6 34.06(9) . . . . ?
B2 C1 B3 B4 -134.21(10) . . . . ?
B2 C1 B3 B7 -33.99(9) . . . . ?
B2 C1 B3 B8 -98.24(11) . . . . ?
B2 C1 B4 C2 -90.73(9) . . . . ?
B2 C1 B4 B3 44.05(10) . . . . ?
B2 C1 B4 B8 9.89(12) . . . . ?
B2 C1 B4 B9 -52.50(12) . . . . ?
B2 B1 B5 C2 104.60(10) . . . . ?
B2 B1 B5 B6 -34.16(9) . . . . ?
B2 B1 B5 B9 68.03(11) . . . . ?
B2 B1 B5 B10 5.66(13) . . . . ?
B2 B1 B6 B5 141.55(10) . . . . ?
B2 B1 B6 B7 39.62(9) . . . . ?
B2 B1 B6 B10 101.94(11) . . . . ?
B2 B3 B4 C1 -38.82(8) . . . . ?
B2 B3 B4 C2 7.33(12) . . . . ?
B2 B3 B4 B8 102.09(10) . . . . ?
B2 B3 B4 B9 68.07(11) . . . . ?
B2 B3 B7 B6 -37.45(9) . . . . ?
B2 B3 B7 B8 -137.59(10) . . . . ?
B2 B3 B7 B10 -101.46(10) . . . . ?
B2 B3 B8 B4 -97.63(10) . . . . ?
B2 B3 B8 B7 37.67(9) . . . . ?
B2 B3 B8 B9 -62.26(12) . . . . ?
B2 B3 B8 B10 1.93(12) . . . . ?
B2 B6 B7 B3 37.89(9) . . . . ?
B2 B6 B7 B8 100.38(10) . . . . ?
B2 B6 B7 B10 139.74(10) . . . . ?
B2 B6 B10 K1 149.32(8) . . . 2_666 ?
B2 B6 B10 B5 103.59(10) . . . . ?
B2 B6 B10 B7 -36.27(9) . . . . ?
B2 B6 B10 B8 3.03(12) . . . . ?
B2 B6 B10 B9 65.56(12) . . . . ?
B2 B7 B8 B3 -37.94(9) . . . . ?
B2 B7 B8 B4 1.83(13) . . . . ?
B2 B7 B8 B9 65.89(12) . . . . ?
B2 B7 B8 B10 102.04(10) . . . . ?
B2 B7 B10 K1 -160.3(3) . . . 2_666 ?
B2 B7 B10 B5 0.11(13) . . . . ?
B2 B7 B10 B6 35.98(9) . . . . ?
B2 B7 B10 B8 -99.87(10) . . . . ?
B2 B7 B10 B9 -63.94(12) . . . . ?
B3 C1 B1 C2 90.78(9) . . . . ?
B3 C1 B1 B2 -43.96(9) . . . . ?
B3 C1 B1 B5 52.63(12) . . . . ?
B3 C1 B1 B6 -9.90(12) . . . . ?
B3 C1 B2 B1 134.34(9) . . . . ?
B3 C1 B2 B6 98.42(11) . . . . ?
B3 C1 B2 B7 34.13(9) . . . . ?
B3 C1 B4 C2 -134.78(9) . . . . ?
B3 C1 B4 B8 -34.16(9) . . . . ?
B3 C1 B4 B9 -96.56(11) . . . . ?
B3 B2 B6 B1 97.63(10) . . . . ?
B3 B2 B6 B5 62.21(12) . . . . ?
B3 B2 B6 B7 -37.74(9) . . . . ?
B3 B2 B6 B10 -1.86(12) . . . . ?
B3 B2 B7 B6 137.69(10) . . . . ?
B3 B2 B7 B8 37.44(9) . . . . ?
B3 B2 B7 B10 101.25(10) . . . . ?
B3 B4 B8 B7 -39.75(9) . . . . ?
B3 B4 B8 B9 -141.61(10) . . . . ?
B3 B4 B8 B10 -102.14(10) . . . . ?
B3 B4 B9 K1 104.8(4) . . . 2_666 ?
B3 B4 B9 C2 -104.52(10) . . . . ?
B3 B4 B9 B5 -68.26(11) . . . . ?
B3 B4 B9 B8 34.10(9) . . . . ?
B3 B4 B9 B10 -5.61(12) . . . . ?
B3 B7 B8 B4 39.77(9) . . . . ?
B3 B7 B8 B9 103.83(10) . . . . ?
B3 B7 B8 B10 139.97(10) . . . . ?
B3 B7 B10 K1 -96.1(3) . . . 2_666 ?
B3 B7 B10 B5 64.28(12) . . . . ?
B3 B7 B10 B6 100.15(10) . . . . ?
B3 B7 B10 B8 -35.70(9) . . . . ?
B3 B7 B10 B9 0.23(13) . . . . ?
B3 B8 B9 K1 157.54(8) . . . 2_666 ?
B3 B8 B9 C2 1.43(13) . . . . ?
B3 B8 B9 B4 -35.24(9) . . . . ?
B3 B8 B9 B5 62.41(12) . . . . ?
B3 B8 B9 B10 100.26(11) . . . . ?
B3 B8 B10 K1 -157.46(7) . . . 2_666 ?
B3 B8 B10 B5 -65.68(12) . . . . ?
B3 B8 B10 B6 -3.06(12) . . . . ?
B3 B8 B10 B7 36.17(9) . . . . ?
B3 B8 B10 B9 -103.59(10) . . . . ?
B4 C1 B1 C2 26.29(8) . . . . ?
B4 C1 B1 B2 -108.44(9) . . . . ?
B4 C1 B1 B5 -11.85(11) . . . . ?
B4 C1 B1 B6 -74.38(10) . . . . ?
B4 C1 B2 B1 91.34(10) . . . . ?
B4 C1 B2 B3 -43.00(9) . . . . ?
B4 C1 B2 B6 55.43(12) . . . . ?
B4 C1 B2 B7 -8.87(13) . . . . ?
B4 C1 B3 B2 134.21(10) . . . . ?
B4 C1 B3 B7 100.21(10) . . . . ?
B4 C1 B3 B8 35.97(9) . . . . ?
B4 C2 B1 C1 -27.61(8) . . . . ?
B4 C2 B1 B2 11.87(12) . . . . ?
B4 C2 B1 B5 109.88(9) . . . . ?
B4 C2 B1 B6 74.10(10) . . . . ?
B4 C2 B5 B1 -95.58(10) . . . . ?
B4 C2 B5 B6 -58.63(12) . . . . ?
B4 C2 B5 B9 41.58(9) . . . . ?
B4 C2 B5 B10 4.88(13) . . . . ?
B4 C2 B9 K1 172.05(11) . . . 2_666 ?
B4 C2 B9 B5 -137.55(9) . . . . ?
B4 C2 B9 B8 -37.16(9) . . . . ?
B4 C2 B9 B10 -100.76(10) . . . . ?
B4 B3 B7 B2 97.77(10) . . . . ?
B4 B3 B7 B6 60.32(12) . . . . ?
B4 B3 B7 B8 -39.83(9) . . . . ?
B4 B3 B7 B10 -3.69(13) . . . . ?
B4 B3 B8 B7 135.30(10) . . . . ?
B4 B3 B8 B9 35.37(10) . . . . ?
B4 B3 B8 B10 99.56(10) . . . . ?
B4 B8 B9 K1 -167.21(9) . . . 2_666 ?
B4 B8 B9 C2 36.67(9) . . . . ?
B4 B8 B9 B5 97.65(10) . . . . ?
B4 B8 B9 B10 135.50(10) . . . . ?
B4 B8 B10 K1 -93.64(9) . . . 2_666 ?
B4 B8 B10 B5 -1.87(12) . . . . ?
B4 B8 B10 B6 60.75(11) . . . . ?
B4 B8 B10 B7 99.98(10) . . . . ?
B4 B8 B10 B9 -39.78(9) . . . . ?
B4 B9 B10 K1 168.22(8) . . . 2_666 ?
B4 B9 B10 B5 -97.96(10) . . . . ?
B4 B9 B10 B6 -60.31(12) . . . . ?
B4 B9 B10 B7 3.32(12) . . . . ?
B4 B9 B10 B8 39.64(9) . . . . ?
B5 C2 B1 C1 -137.49(9) . . . . ?
B5 C2 B1 B2 -98.00(10) . . . . ?
B5 C2 B1 B6 -35.78(9) . . . . ?
B5 C2 B4 C1 95.59(10) . . . . ?
B5 C2 B4 B3 56.20(13) . . . . ?
B5 C2 B4 B8 -6.00(12) . . . . ?
B5 C2 B4 B9 -41.85(9) . . . . ?
B5 C2 B9 K1 -50.41(10) . . . 2_666 ?
B5 C2 B9 B4 137.55(9) . . . . ?
B5 C2 B9 B8 100.39(10) . . . . ?
B5 C2 B9 B10 36.79(9) . . . . ?
B5 B1 B2 C1 -106.94(10) . . . . ?
B5 B1 B2 B3 -68.19(11) . . . . ?
B5 B1 B2 B6 34.12(9) . . . . ?
B5 B1 B2 B7 -5.59(13) . . . . ?
B5 B1 B6 B2 -141.55(10) . . . . ?
B5 B1 B6 B7 -101.93(10) . . . . ?
B5 B1 B6 B10 -39.61(9) . . . . ?
B5 B6 B7 B2 -103.71(10) . . . . ?
B5 B6 B7 B3 -65.82(12) . . . . ?
B5 B6 B7 B8 -3.33(12) . . . . ?
B5 B6 B7 B10 36.03(9) . . . . ?
B5 B6 B10 K1 45.73(10) . . . 2_666 ?
B5 B6 B10 B7 -139.87(10) . . . . ?
B5 B6 B10 B8 -100.57(10) . . . . ?
B5 B6 B10 B9 -38.04(9) . . . . ?
B5 B9 B10 K1 -93.82(7) . . . 2_666 ?
B5 B9 B10 B6 37.65(9) . . . . ?
B5 B9 B10 B7 101.28(10) . . . . ?
B5 B9 B10 B8 137.60(10) . . . . ?
B6 B1 B2 C1 -141.06(10) . . . . ?
B6 B1 B2 B3 -102.31(10) . . . . ?
B6 B1 B2 B7 -39.71(9) . . . . ?
B6 B1 B5 C2 138.75(10) . . . . ?
B6 B1 B5 B9 102.19(10) . . . . ?
B6 B1 B5 B10 39.82(9) . . . . ?
B6 B2 B3 C1 -103.97(10) . . . . ?
B6 B2 B3 B4 -63.33(11) . . . . ?
B6 B2 B3 B7 37.92(9) . . . . ?
B6 B2 B3 B8 -0.04(12) . . . . ?
B6 B2 B7 B3 -137.69(10) . . . . ?
B6 B2 B7 B8 -100.25(10) . . . . ?
B6 B2 B7 B10 -36.44(9) . . . . ?
B6 B5 B9 K1 -115.32(8) . . . 2_666 ?
B6 B5 B9 C2 100.17(10) . . . . ?
B6 B5 B9 B4 63.20(11) . . . . ?
B6 B5 B9 B8 -0.05(12) . . . . ?
B6 B5 B9 B10 -38.17(9) . . . . ?
B6 B5 B10 K1 -148.70(8) . . . 2_666 ?
B6 B5 B10 B7 36.16(10) . . . . ?
B6 B5 B10 B8 99.96(10) . . . . ?
B6 B5 B10 B9 137.45(10) . . . . ?
B6 B7 B8 B3 -100.53(10) . . . . ?
B6 B7 B8 B4 -60.76(12) . . . . ?
B6 B7 B8 B9 3.30(12) . . . . ?
B6 B7 B8 B10 39.44(9) . . . . ?
B6 B7 B10 K1 163.7(3) . . . 2_666 ?
B6 B7 B10 B5 -35.87(9) . . . . ?
B6 B7 B10 B8 -135.85(9) . . . . ?
B6 B7 B10 B9 -99.92(10) . . . . ?
B7 B2 B3 C1 -141.89(10) . . . . ?
B7 B2 B3 B4 -101.25(10) . . . . ?
B7 B2 B3 B8 -37.96(9) . . . . ?
B7 B2 B6 B1 135.36(10) . . . . ?
B7 B2 B6 B5 99.95(11) . . . . ?
B7 B2 B6 B10 35.87(9) . . . . ?
B7 B3 B4 C1 -101.16(10) . . . . ?
B7 B3 B4 C2 -55.01(12) . . . . ?
B7 B3 B4 B8 39.75(9) . . . . ?
B7 B3 B4 B9 5.73(12) . . . . ?
B7 B3 B8 B4 -135.30(10) . . . . ?
B7 B3 B8 B9 -99.92(11) . . . . ?
B7 B3 B8 B10 -35.73(9) . . . . ?
B7 B6 B10 K1 -174.41(11) . . . 2_666 ?
B7 B6 B10 B5 139.87(10) . . . . ?
B7 B6 B10 B8 39.30(9) . . . . ?
B7 B6 B10 B9 101.83(10) . . . . ?
B7 B8 B9 K1 93.12(9) . . . 2_666 ?
B7 B8 B9 C2 -63.00(12) . . . . ?
B7 B8 B9 B4 -99.67(10) . . . . ?
B7 B8 B9 B5 -2.02(12) . . . . ?
B7 B8 B9 B10 35.83(9) . . . . ?
B7 B8 B10 K1 166.38(8) . . . 2_666 ?
B7 B8 B10 B5 -101.85(10) . . . . ?
B7 B8 B10 B6 -39.23(9) . . . . ?
B7 B8 B10 B9 -139.76(10) . . . . ?
B8 B3 B4 C1 -140.91(10) . . . . ?
B8 B3 B4 C2 -94.76(10) . . . . ?
B8 B3 B4 B9 -34.02(9) . . . . ?
B8 B3 B7 B2 137.59(10) . . . . ?
B8 B3 B7 B6 100.14(10) . . . . ?
B8 B3 B7 B10 36.13(9) . . . . ?
B8 B4 B9 K1 70.7(4) . . . 2_666 ?
B8 B4 B9 C2 -138.62(10) . . . . ?
B8 B4 B9 B5 -102.36(10) . . . . ?
B8 B4 B9 B10 -39.71(9) . . . . ?
B8 B7 B10 K1 -60.4(3) . . . 2_666 ?
B8 B7 B10 B5 99.98(10) . . . . ?
B8 B7 B10 B6 135.85(9) . . . . ?
B8 B7 B10 B9 35.93(9) . . . . ?
B8 B9 B10 K1 128.58(7) . . . 2_666 ?
B8 B9 B10 B5 -137.60(10) . . . . ?
B8 B9 B10 B6 -99.95(10) . . . . ?
B8 B9 B10 B7 -36.32(9) . . . . ?
B9 C2 B1 C1 -95.27(10) . . . . ?
B9 C2 B1 B2 -55.78(13) . . . . ?
B9 C2 B1 B5 42.22(10) . . . . ?
B9 C2 B1 B6 6.44(13) . . . . ?
B9 C2 B4 C1 137.44(9) . . . . ?
B9 C2 B4 B3 98.04(10) . . . . ?
B9 C2 B4 B8 35.84(9) . . . . ?
B9 C2 B5 B1 -137.16(9) . . . . ?
B9 C2 B5 B6 -100.22(10) . . . . ?
B9 C2 B5 B10 -36.70(9) . . . . ?
B9 B4 B8 B3 141.61(10) . . . . ?
B9 B4 B8 B7 101.86(10) . . . . ?
B9 B4 B8 B10 39.47(9) . . . . ?
B9 B5 B6 B1 -97.44(10) . . . . ?
B9 B5 B6 B2 -62.20(12) . . . . ?
B9 B5 B6 B7 2.10(12) . . . . ?
B9 B5 B6 B10 37.84(9) . . . . ?
B9 B5 B10 K1 73.86(6) . . . 2_666 ?
B9 B5 B10 B6 -137.45(10) . . . . ?
B9 B5 B10 B7 -101.29(11) . . . . ?
B9 B5 B10 B8 -37.49(9) . . . . ?
B9 B8 B10 K1 -53.87(7) . . . 2_666 ?
B9 B8 B10 B5 37.91(9) . . . . ?
B9 B8 B10 B6 100.53(10) . . . . ?
B9 B8 B10 B7 139.76(10) . . . . ?
B10 B5 B6 B1 -135.28(10) . . . . ?
B10 B5 B6 B2 -100.04(11) . . . . ?
B10 B5 B6 B7 -35.74(9) . . . . ?
B10 B5 B9 K1 -77.15(6) . . . 2_666 ?
B10 B5 B9 C2 138.34(10) . . . . ?
B10 B5 B9 B4 101.38(10) . . . . ?
B10 B5 B9 B8 38.12(9) . . . . ?
B10 B6 B7 B2 -139.74(10) . . . . ?
B10 B6 B7 B3 -101.85(10) . . . . ?
B10 B6 B7 B8 -39.36(9) . . . . ?
B10 B7 B8 B3 -139.97(10) . . . . ?
B10 B7 B8 B4 -100.21(10) . . . . ?
B10 B7 B8 B9 -36.14(9) . . . . ?
B10 B8 B9 K1 57.28(8) . . . 2_666 ?
B10 B8 B9 C2 -98.83(10) . . . . ?
B10 B8 B9 B4 -135.50(10) . . . . ?
B10 B8 B9 B5 -37.85(9) . . . . ?
