#------------------------------------------------------------------------------
#$Date: 2018-12-15 01:15:15 +0200 (Sat, 15 Dec 2018) $
#$Revision: 212589 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/27/7122728.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_7122728
loop_
_publ_author_name
'Zhang, Cai-Yan'
'Cao, Ke'
'Xu, Tao-Tao'
'Wu, Ji'
'Jiang, Lin-Hai'
'Yang, Junxiao'
_publ_section_title
;
 A facile approach for synthesis of nido-carborane fused oxazoles via one
 pot deboronation/cyclization of 9-amide-o-carboranes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C8CC07728B
_journal_year                    2018
_chemical_formula_moiety         'C22 H40 B18 Cs2 N2 O2'
_chemical_formula_sum            'C22 H40 B18 Cs2 N2 O2'
_chemical_formula_weight         824.96
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_audit_creation_date             2018-05-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_audit_update_record
;
2018-07-02 deposited with the CCDC.
2018-12-12 downloaded from the CCDC.
;
_cell_angle_alpha                108.368(7)
_cell_angle_beta                 92.326(6)
_cell_angle_gamma                94.863(6)
_cell_formula_units_Z            2
_cell_length_a                   9.9229(8)
_cell_length_b                   13.5206(9)
_cell_length_c                   14.4241(11)
_cell_measurement_reflns_used    4567
_cell_measurement_temperature    292.78(10)
_cell_measurement_theta_max      27.5610
_cell_measurement_theta_min      3.5250
_cell_volume                     1825.3(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      292.78(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     72.00  99.00   1.50    2.50    --   25.05  57.00-120.00   18
  2  ω     31.00  97.00   1.50    2.50    --   25.05  57.00-150.00   44
  3  ω     22.00  74.50   1.50    2.50    --   25.05 -99.00-120.00   35
  4  ω     87.00 112.50   1.50    2.50    --   25.05-178.00-150.00   17
  5  ω    -44.00  55.00   1.50    2.50    --   25.05 -57.00  90.00   66
  6  ω    -33.00  51.00   1.50    2.50    --  -22.08  57.00 -30.00   56
  7  ω     36.00 109.50   1.50    2.50    --   25.05 178.00 120.00   49
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0480130000
_diffrn_orient_matrix_UB_12      -0.0077247000
_diffrn_orient_matrix_UB_13      0.0342025000
_diffrn_orient_matrix_UB_21      0.0526452000
_diffrn_orient_matrix_UB_22      0.0046542000
_diffrn_orient_matrix_UB_23      -0.0306564000
_diffrn_orient_matrix_UB_31      0.0097945000
_diffrn_orient_matrix_UB_32      0.0548350000
_diffrn_orient_matrix_UB_33      0.0242646000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11975
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         3.418
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.023
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84400
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_description       block
_exptl_crystal_F_000             804
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.434
_refine_diff_density_min         -0.558
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         7171
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0246P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0674
_refine_ls_wR_factor_ref         0.0751
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5584
_reflns_number_total             7171
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8cc07728b3.cif
_cod_data_source_block           caok_195
_cod_original_cell_volume        1825.4(2)
_cod_database_code               7122728
_shelx_shelxl_version_number     2014/7
_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.
;
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C7A, B9}
{B9A, C7}
3. Restrained distances
 B3A-H3A
 1 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C7A) = Uanis(B9)
Uanis(B9A) = Uanis(C7)
5. Others
 Fixed Sof: C7(0.75) C12(0.75) B3'(0.6) H3'(0.6) B9(0.75) C7A(0.25) C12A(0.25)
 B3A(0.4) H3A(0.4) B9A(0.25)
6.a Aromatic/amide H refined with riding coordinates:
 C16(H16), C16'(H16'), C17(H17), C17'(H17'), C18(H18), C18'(H18'), C19(H19),
 C19'(H19'), C20(H20), C20'(H20')
6.b Idealised Me refined as rotating group:
 C12'(H12A,H12B,H12C), C13(H13A,H13B,H13C), C13'(H13D,H13E,H13F), C12(H12D,
 H12E,H12F)
6.c Boron cage BH refined with riding coordinates:
 B3'(H3')
;
_olex2_date_sample_data_collection 2018-02-02
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.147
_oxdiff_exptl_absorpt_empirical_full_min 0.879
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.35907(2) 0.44649(2) 0.61566(2) 0.04479(8) Uani 1 1 d . . . .
H1A H 0.629(3) 0.381(2) 0.6872(18) 0.019(7) Uiso 1 1 d . . . .
H4 H 0.584(3) 0.379(2) 0.483(2) 0.031(8) Uiso 1 1 d . . . .
H4' H 0.366(4) 0.648(3) 0.794(3) 0.063(12) Uiso 1 1 d . . . .
H10A H 0.847(3) 0.401(2) 0.411(2) 0.039(9) Uiso 1 1 d . . . .
H11 H 1.056(4) 0.397(3) 0.572(2) 0.056(11) Uiso 1 1 d . . . .
Cs2 Cs 0.70757(3) 0.58029(2) 0.86630(2) 0.05280(9) Uani 1 1 d . . . .
H6' H 0.002(3) 0.594(2) 0.984(2) 0.043(10) Uiso 1 1 d . . . .
H9' H 0.478(4) 0.670(2) 0.988(2) 0.045(10) Uiso 1 1 d . . . .
H10' H 0.243(4) 0.626(3) 1.101(3) 0.069(12) Uiso 1 1 d . . . .
O1 O 0.6153(3) 0.57773(18) 0.6450(2) 0.0529(7) Uani 1 1 d . . . .
O1' O 0.4418(3) 0.45476(19) 0.82988(19) 0.0514(7) Uani 1 1 d . . . .
N1 N 0.8294(3) 0.5438(2) 0.6153(2) 0.0357(8) Uani 1 1 d . . . .
H1 H 0.890(4) 0.566(3) 0.612(3) 0.029(12) Uiso 1 1 d . . . .
N1' N 0.2378(4) 0.4707(2) 0.8915(2) 0.0415(8) Uani 1 1 d . . . .
H1' H 0.173(3) 0.442(2) 0.899(2) 0.024(10) Uiso 1 1 d . . . .
C7' C 0.2060(4) 0.8329(3) 0.9852(3) 0.0474(10) Uani 1 1 d . . . .
C8 C 0.7992(4) 0.1756(3) 0.5156(3) 0.0431(9) Uani 1 1 d . . . .
C8' C 0.3362(4) 0.7836(3) 0.9408(3) 0.0483(11) Uani 1 1 d . . . .
C12' C 0.2028(5) 0.9518(3) 1.0142(3) 0.0740(15) Uani 1 1 d . . . .
H12A H 0.2696 0.9858 1.0672 0.111 Uiso 1 1 calc GR . . .
H12B H 0.1145 0.9695 1.0344 0.111 Uiso 1 1 calc GR . . .
H12C H 0.2222 0.9746 0.9591 0.111 Uiso 1 1 calc GR . . .
C13 C 0.7987(5) 0.0565(3) 0.4849(3) 0.0688(14) Uani 1 1 d . . . .
H13A H 0.8111 0.0355 0.5421 0.103 Uiso 1 1 calc GR . . .
H13B H 0.8711 0.0353 0.4432 0.103 Uiso 1 1 calc GR . . .
H13C H 0.7136 0.0239 0.4502 0.103 Uiso 1 1 calc GR . . .
C13' C 0.4562(5) 0.8574(3) 0.9301(4) 0.0840(18) Uani 1 1 d . . . .
H13D H 0.4966 0.8980 0.9937 0.126 Uiso 1 1 calc GR . . .
H13E H 0.4248 0.9035 0.8969 0.126 Uiso 1 1 calc GR . . .
H13F H 0.5222 0.8170 0.8928 0.126 Uiso 1 1 calc GR . . .
C14 C 0.7346(4) 0.6092(2) 0.6402(2) 0.0309(8) Uani 1 1 d . . . .
C14' C 0.3369(4) 0.4147(3) 0.8514(2) 0.0359(8) Uani 1 1 d . . . .
C15 C 0.7731(4) 0.7246(2) 0.6630(2) 0.0340(8) Uani 1 1 d . . . .
C15' C 0.3205(4) 0.2975(3) 0.8316(2) 0.0357(8) Uani 1 1 d . . . .
C16 C 0.9036(4) 0.7717(3) 0.6927(3) 0.0465(10) Uani 1 1 d . . . .
H16 H 0.9729 0.7312 0.6981 0.056 Uiso 1 1 calc R . . .
C16' C 0.2139(4) 0.2461(3) 0.8620(3) 0.0511(11) Uani 1 1 d . . . .
H16' H 0.1466 0.2837 0.8954 0.061 Uiso 1 1 calc R . . .
C17 C 0.9316(5) 0.8796(3) 0.7147(3) 0.0639(13) Uani 1 1 d . . . .
H17 H 1.0193 0.9114 0.7351 0.077 Uiso 1 1 calc R . . .
C17' C 0.2068(5) 0.1386(3) 0.8428(3) 0.0680(14) Uani 1 1 d . . . .
H17' H 0.1354 0.1042 0.8641 0.082 Uiso 1 1 calc R . . .
C18 C 0.8302(6) 0.9384(3) 0.7060(3) 0.0738(15) Uani 1 1 d . . . .
H18 H 0.8493 1.0104 0.7202 0.089 Uiso 1 1 calc R . . .
C18' C 0.3045(6) 0.0830(3) 0.7925(4) 0.0748(15) Uani 1 1 d . . . .
H18' H 0.2990 0.0108 0.7791 0.090 Uiso 1 1 calc R . . .
C19 C 0.7010(6) 0.8934(3) 0.6769(4) 0.0897(18) Uani 1 1 d . . . .
H19 H 0.6325 0.9341 0.6705 0.108 Uiso 1 1 calc R . . .
C19' C 0.4091(6) 0.1329(3) 0.7623(4) 0.0778(16) Uani 1 1 d . . . .
H19' H 0.4755 0.0949 0.7283 0.093 Uiso 1 1 calc R . . .
C20 C 0.6724(5) 0.7862(3) 0.6568(3) 0.0657(13) Uani 1 1 d . . . .
H20 H 0.5836 0.7557 0.6389 0.079 Uiso 1 1 calc R . . .
C20' C 0.4177(5) 0.2405(3) 0.7817(3) 0.0580(12) Uani 1 1 d . . . .
H20' H 0.4902 0.2742 0.7608 0.070 Uiso 1 1 calc R . . .
B1 B 0.6992(4) 0.3495(3) 0.6350(3) 0.0356(10) Uani 1 1 d . . . .
B1' B 0.1226(5) 0.6412(4) 0.8502(4) 0.0509(13) Uani 1 1 d . . . .
H1'A H 0.063(4) 0.590(3) 0.785(3) 0.073(13) Uiso 1 1 d . . . .
B2 B 0.8748(5) 0.3580(3) 0.6637(3) 0.0398(10) Uani 1 1 d . . . .
H2 H 0.929(4) 0.391(3) 0.736(3) 0.061(12) Uiso 1 1 d . . . .
B2' B 0.0648(5) 0.7540(4) 0.9343(4) 0.0521(12) Uani 1 1 d . . . .
H2' H -0.036(5) 0.793(3) 0.936(3) 0.089(15) Uiso 1 1 d . . . .
B3 B 0.8149(4) 0.4258(3) 0.5865(3) 0.0320(9) Uani 1 1 d . . . .
B4 B 0.6743(4) 0.3445(3) 0.5090(3) 0.0356(10) Uani 1 1 d . . . .
B4' B 0.3015(5) 0.6672(3) 0.8534(3) 0.0471(12) Uani 1 1 d . . . .
B5 B 0.6516(5) 0.2303(3) 0.5438(3) 0.0397(10) Uani 1 1 d . . . .
H5 H 0.562(4) 0.180(2) 0.536(2) 0.038(9) Uiso 1 1 d . . . .
B5' B 0.2348(4) 0.5880(3) 0.9186(3) 0.0351(9) Uani 1 1 d . . . .
B6 B 0.7758(5) 0.2375(3) 0.6357(3) 0.0452(11) Uani 1 1 d . . . .
H6 H 0.763(3) 0.187(2) 0.686(2) 0.047(10) Uiso 1 1 d . . . .
B6' B 0.0845(5) 0.6429(3) 0.9708(3) 0.0413(10) Uani 1 1 d . . . .
B9' B 0.3708(5) 0.6818(3) 0.9737(3) 0.0441(11) Uani 1 1 d . . . .
B10 B 0.8348(4) 0.3554(3) 0.4617(3) 0.0374(10) Uani 1 1 d . . . .
H10B H 0.860(5) 0.268(3) 0.428(3) 0.087(14) Uiso 1 1 d . . . .
B10' B 0.2366(5) 0.6623(3) 1.0458(3) 0.0437(11) Uani 1 1 d . . . .
B11 B 0.9573(5) 0.3577(3) 0.5561(3) 0.0408(10) Uani 1 1 d . . . .
B11' B 0.1380(5) 0.7688(3) 1.0548(3) 0.0462(12) Uani 1 1 d . . . .
H11' H 0.083(4) 0.807(3) 1.112(2) 0.051(11) Uiso 1 1 d . . . .
C7 C 0.9254(4) 0.2467(3) 0.5776(3) 0.0460(10) Uani 0.75 1 d . P A 1
C12 C 1.0418(6) 0.1955(4) 0.6032(4) 0.0544(15) Uani 0.75 1 d . P A 1
H12D H 1.1059 0.2474 0.6480 0.082 Uiso 1 1 calc GR . A 1
H12E H 1.0847 0.1613 0.5448 0.082 Uiso 1 1 calc GR . A 1
H12F H 1.0097 0.1447 0.6332 0.082 Uiso 1 1 calc GR . A 1
B3' B 0.2031(8) 0.7705(5) 0.8666(5) 0.0421(18) Uani 0.6 1 d . P B 1
H3' H 0.1964 0.8090 0.8100 0.050 Uiso 0.6 1 calc R P B 1
B9 B 0.7403(5) 0.2272(3) 0.4369(3) 0.0498(11) Uani 0.75 1 d . P A 1
C7A C 0.7403(5) 0.2272(3) 0.4369(3) 0.0498(11) Uani 0.25 1 d . P A 2
C12A C 0.6901(19) 0.1749(13) 0.3523(10) 0.063(5) Uani 0.25 1 d . P A 2
B3A B 0.3016(13) 0.7908(10) 1.0527(9) 0.058(4) Uani 0.4 1 d D P B 2
H3A H 0.351(7) 0.853(4) 1.103(4) 0.03(2) Uiso 0.4 1 d D P C 2
B9A B 0.9254(4) 0.2467(3) 0.5776(3) 0.0460(10) Uani 0.25 1 d . P A 2
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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
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
O1 Cs1 Cs2 43.49(6) . .
O1 Cs1 Cs2 126.18(4) 2_666 .
O1 Cs1 O1 84.45(7) . 2_666
O1 Cs1 O1' 81.36(7) . .
O1 Cs1 N1 108.23(8) . 2_666
O1 Cs1 N1 34.78(6) 2_666 2_666
O1 Cs1 C14 103.25(8) . 2_666
O1 Cs1 C14' 100.82(8) . .
O1 Cs1 B1 56.18(8) . .
O1 Cs1 B1 92.70(7) 2_666 .
O1 Cs1 B4 70.73(8) . 2_666
O1 Cs1 B4 51.40(7) 2_666 2_666
O1 Cs1 B4 64.79(8) 2_666 .
O1 Cs1 B4 57.40(8) . .
O1 Cs1 B4' 79.39(9) . .
O1 Cs1 B4' 136.28(8) 2_666 .
O1 Cs1 B10 92.49(8) . 2_666
O1 Cs1 B10 67.16(7) 2_666 2_666
O1' Cs1 Cs2 37.90(5) . .
O1' Cs1 O1 160.38(7) . 2_666
O1' Cs1 N1 164.80(7) . 2_666
O1' Cs1 C14 170.48(7) . 2_666
O1' Cs1 C14' 19.74(7) . .
O1' Cs1 B1 68.12(8) . .
O1' Cs1 B4 133.82(7) . 2_666
O1' Cs1 B4 96.01(8) . .
O1' Cs1 B4' 53.61(9) . .
O1' Cs1 B10 126.78(8) . 2_666
N1 Cs1 Cs2 150.46(5) 2_666 .
N1 Cs1 B4 44.92(7) 2_666 2_666
N1 Cs1 B4' 115.41(9) 2_666 .
N1 Cs1 B10 43.15(8) 2_666 2_666
C14 Cs1 Cs2 145.63(5) 2_666 .
C14 Cs1 O1 19.47(6) 2_666 2_666
C14 Cs1 N1 20.45(7) 2_666 2_666
C14 Cs1 B1 107.30(8) 2_666 .
C14 Cs1 B4 79.91(9) 2_666 .
C14 Cs1 B4 55.62(8) 2_666 2_666
C14 Cs1 B4' 135.05(10) 2_666 .
C14 Cs1 B10 61.85(8) 2_666 2_666
C14' Cs1 Cs2 57.52(6) . .
C14' Cs1 O1 168.57(7) . 2_666
C14' Cs1 N1 147.17(8) . 2_666
C14' Cs1 C14 155.40(8) . 2_666
C14' Cs1 B1 82.09(9) . .
C14' Cs1 B4 109.42(9) . .
C14' Cs1 B4 139.90(8) . 2_666
C14' Cs1 B4' 55.09(9) . .
C14' Cs1 B10 122.22(9) . 2_666
B1 Cs1 Cs2 51.55(6) . .
B1 Cs1 N1 126.94(8) . 2_666
B1 Cs1 B4 118.76(9) . 2_666
B1 Cs1 B4' 110.59(10) . .
B1 Cs1 B10 145.20(9) . 2_666
B4 Cs1 Cs2 106.81(6) 2_666 .
B4 Cs1 Cs2 73.77(6) . .
B4 Cs1 N1 99.11(8) . 2_666
B4 Cs1 B1 27.92(9) . .
B4 Cs1 B4 98.71(9) . 2_666
B4 Cs1 B4' 84.89(9) 2_666 .
B4 Cs1 B4' 131.65(10) . .
B4 Cs1 B10 26.74(9) 2_666 2_666
B4 Cs1 B10 124.58(9) . 2_666
B4' Cs1 Cs2 59.35(8) . .
B10 Cs1 Cs2 117.44(6) 2_666 .
B10 Cs1 B4' 73.24(10) 2_666 .
O1 Cs2 Cs1 37.71(4) . .
O1 Cs2 N1 36.32(7) . .
O1 Cs2 N1' 167.57(6) . 2_667
O1 Cs2 C14 21.10(7) . .
O1 Cs2 C16' 145.34(7) . 2_667
O1 Cs2 B1 53.89(8) . .
O1 Cs2 B6' 122.10(8) . 1_655
O1 Cs2 B9' 93.66(8) . .
O1 Cs2 B10' 127.51(8) . 2_667
O1' Cs2 Cs1 40.74(5) . .
O1' Cs2 O1 78.42(7) . .
O1' Cs2 N1 104.46(7) . .
O1' Cs2 N1' 90.17(7) . 2_667
O1' Cs2 C14 98.86(8) . .
O1' Cs2 C16' 113.34(7) . 2_667
O1' Cs2 B1 69.48(8) . .
O1' Cs2 B6' 152.47(9) . 1_655
O1' Cs2 B9' 54.79(8) . .
O1' Cs2 B10' 74.68(9) . 2_667
N1 Cs2 Cs1 67.09(5) . .
N1 Cs2 N1' 146.45(8) . 2_667
N1 Cs2 C16' 141.24(7) . 2_667
N1 Cs2 B1 45.75(8) . .
N1 Cs2 B6' 88.45(8) . 1_655
N1 Cs2 B9' 129.55(9) . .
N1 Cs2 B10' 111.64(8) . 2_667
N1' Cs2 Cs1 130.56(5) 2_667 .
N1' Cs2 C16' 44.60(7) 2_667 2_667
N1' Cs2 B6' 67.24(8) 2_667 1_655
N1' Cs2 B9' 83.56(9) 2_667 .
N1' Cs2 B10' 42.95(8) 2_667 2_667
C14 Cs2 Cs1 58.20(6) . .
C14 Cs2 N1 20.62(8) . .
C14 Cs2 N1' 166.37(8) . 2_667
C14 Cs2 C16' 137.07(7) . 2_667
C14 Cs2 B1 57.50(8) . .
C14 Cs2 B6' 101.07(9) . 1_655
C14 Cs2 B9' 109.98(9) . .
C14 Cs2 B10' 130.01(8) . 2_667
C16' Cs2 Cs1 143.68(6) 2_667 .
C16' Cs2 B6' 61.61(9) 2_667 1_655
C16' Cs2 B9' 71.18(9) 2_667 .
C16' Cs2 B10' 87.04(9) 2_667 2_667
B1 Cs2 Cs1 51.16(7) . .
B1 Cs2 N1' 117.51(8) . 2_667
B1 Cs2 C16' 160.10(9) . 2_667
B1 Cs2 B6' 106.19(9) . 1_655
B1 Cs2 B9' 120.66(9) . .
B1 Cs2 B10' 74.56(9) . 2_667
B6' Cs2 Cs1 154.32(7) 1_655 .
B6' Cs2 B9' 132.47(9) 1_655 .
B6' Cs2 B10' 77.98(9) 1_655 2_667
B9' Cs2 Cs1 72.49(6) . .
B9' Cs2 B10' 105.76(10) . 2_667
B10' Cs2 Cs1 103.08(7) 2_667 .
Cs1 O1 Cs1 95.55(7) . 2_666
Cs1 O1 Cs2 98.80(8) . .
Cs2 O1 Cs1 158.99(9) . 2_666
C14 O1 Cs1 75.8(2) . 2_666
C14 O1 Cs1 162.8(2) . .
C14 O1 Cs2 86.2(2) . .
Cs2 O1' Cs1 101.36(7) . .
C14' O1' Cs1 100.9(2) . .
C14' O1' Cs2 156.5(2) . .
Cs2 N1 Cs1 129.91(9) . 2_666
C14 N1 Cs1 71.0(2) . 2_666
C14 N1 Cs2 65.19(19) . .
C14 N1 B3 128.8(3) . .
B3 N1 Cs1 95.2(2) . 2_666
B3 N1 Cs2 93.9(2) . .
C14' N1' Cs2 93.4(2) . 2_667
C14' N1' B5' 127.4(3) . .
B5' N1' Cs2 105.0(2) . 2_667
C8' C7' B2' 111.4(3) . .
C8' C7' B11' 110.7(3) . .
C8' C7' B3' 60.6(3) . .
C8' C7' B3A 62.4(5) . .
C12' C7' C8' 119.0(3) . .
C12' C7' B2' 119.2(4) . .
C12' C7' B11' 119.5(3) . .
C12' C7' B3' 115.6(4) . .
C12' C7' B3A 116.8(5) . .
B11' C7' B2' 65.6(3) . .
B11' C7' B3' 117.7(3) . .
B3' C7' B2' 63.7(3) . .
B3A C7' B2' 115.3(5) . .
B3A C7' B11' 60.3(6) . .
C13 C8 B5 119.4(3) . .
C13 C8 B6 116.2(3) . .
C13 C8 C7 119.2(4) . .
C13 C8 B9 118.6(3) . .
C13 C8 C7A 118.6(3) . .
C13 C8 B9A 119.2(4) . .
B5 C8 B6 61.6(3) . .
C7 C8 B5 112.4(3) . .
C7 C8 B6 64.4(2) . .
C7 C8 B9 110.2(3) . .
B9 C8 B5 65.4(3) . .
B9 C8 B6 116.7(3) . .
C7A C8 B5 65.4(3) . .
C7A C8 B6 116.7(3) . .
B9A C8 B5 112.4(3) . .
B9A C8 B6 64.4(2) . .
B9A C8 C7A 110.2(3) . .
C7' C8' B4' 113.2(3) . .
C7' C8' B9' 113.5(3) . .
C7' C8' B3' 62.1(3) . .
C7' C8' B3A 59.5(5) . .
C13' C8' C7' 118.3(3) . .
C13' C8' B4' 118.3(3) . .
C13' C8' B9' 117.5(4) . .
C13' C8' B3' 115.7(4) . .
C13' C8' B3A 116.6(5) . .
B9' C8' B4' 65.0(3) . .
B3' C8' B4' 63.4(3) . .
B3' C8' B9' 118.1(4) . .
B3A C8' B4' 117.5(5) . .
B3A C8' B9' 65.0(5) . .
Cs2 C14 Cs1 154.95(10) . 2_666
O1 C14 Cs1 84.7(2) . 2_666
O1 C14 Cs2 72.7(2) . .
O1 C14 N1 121.9(3) . .
O1 C14 C15 118.9(3) . .
N1 C14 Cs1 88.6(2) . 2_666
N1 C14 Cs2 94.2(2) . .
N1 C14 C15 119.2(3) . .
C15 C14 Cs1 96.69(19) . 2_666
C15 C14 Cs2 103.57(18) . .
O1' C14' Cs1 59.37(19) . .
O1' C14' N1' 122.5(3) . .
O1' C14' C15' 118.5(3) . .
N1' C14' Cs1 105.2(2) . .
N1' C14' C15' 119.0(3) . .
C15' C14' Cs1 104.91(19) . .
C16 C15 C14 123.2(3) . .
C20 C15 C14 118.0(3) . .
C20 C15 C16 118.8(3) . .
C16' C15' C14' 123.2(3) . .
C20' C15' C14' 117.8(3) . .
C20' C15' C16' 118.9(3) . .
C15 C16 C17 120.2(4) . .
C15' C16' Cs2 92.2(2) . 2_667
C15' C16' C17' 120.1(4) . .
C17' C16' Cs2 116.7(3) . 2_667
C18 C17 C16 119.7(4) . .
C18' C17' C16' 120.1(4) . .
C17 C18 C19 120.9(4) . .
C19' C18' C17' 120.1(4) . .
C18 C19 C20 119.5(5) . .
C18' C19' C20' 120.3(4) . .
C15 C20 C19 120.9(4) . .
C15' C20' C19' 120.5(4) . .
Cs1 B1 Cs2 77.29(8) . .
B2 B1 Cs1 157.2(2) . .
B2 B1 Cs2 84.34(19) . .
B2 B1 B3 59.7(2) . .
B2 B1 B4 107.8(3) . .
B3 B1 Cs1 106.1(2) . .
B3 B1 Cs2 88.98(18) . .
B3 B1 B4 60.2(2) . .
B4 B1 Cs1 75.0(2) . .
B4 B1 Cs2 129.5(2) . .
B5 B1 Cs1 93.0(2) . .
B5 B1 Cs2 162.3(2) . .
B5 B1 B2 108.1(3) . .
B5 B1 B3 108.1(3) . .
B5 B1 B4 59.8(2) . .
B5 B1 B6 60.0(2) . .
B6 B1 Cs1 142.2(2) . .
B6 B1 Cs2 120.3(2) . .
B6 B1 B2 59.8(3) . .
B6 B1 B3 107.3(3) . .
B6 B1 B4 107.3(3) . .
B2' B1' B5' 107.2(3) . .
B2' B1' B6' 59.3(3) . .
B2' B1' B3' 58.8(3) . .
B4' B1' B2' 106.2(3) . .
B4' B1' B5' 58.4(3) . .
B4' B1' B6' 106.3(3) . .
B4' B1' B3' 58.1(3) . .
B5' B1' B3' 104.0(4) . .
B6' B1' B5' 60.6(3) . .
B6' B1' B3' 104.5(3) . .
B1 B2 B3 60.9(2) . .
B1 B2 B11 107.2(3) . .
B3 B2 B11 59.0(2) . .
B6 B2 B1 59.9(3) . .
B6 B2 B3 108.4(3) . .
B6 B2 B11 106.8(3) . .
C7 B2 B1 103.6(3) . .
C7 B2 B3 101.0(3) . .
C7 B2 B6 59.9(2) . .
C7 B2 B11 55.1(2) . .
B9A B2 B1 103.6(3) . .
B9A B2 B3 101.0(3) . .
B9A B2 B6 59.9(2) . .
B9A B2 B11 55.1(2) . .
C7' B2' B1' 105.0(4) . .
C7' B2' B6' 102.6(3) . .
C7' B2' B11' 56.5(2) . .
C7' B2' B3' 57.4(3) . .
B1' B2' B11' 108.3(4) . .
B6' B2' B1' 60.6(3) . .
B6' B2' B11' 59.6(3) . .
B3' B2' B1' 61.2(3) . .
B3' B2' B6' 107.5(4) . .
B3' B2' B11' 105.0(4) . .
N1 B3 B1 125.2(3) . .
N1 B3 B2 122.7(3) . .
N1 B3 B4 123.0(3) . .
N1 B3 B10 116.9(3) . .
N1 B3 B11 119.7(3) . .
B1 B3 B4 60.4(2) . .
B2 B3 B1 59.5(2) . .
B2 B3 B4 107.7(3) . .
B2 B3 B10 110.6(3) . .
B10 B3 B1 109.2(3) . .
B10 B3 B4 59.3(2) . .
B11 B3 B1 107.7(3) . .
B11 B3 B2 61.0(3) . .
B11 B3 B4 106.3(3) . .
B11 B3 B10 60.6(2) . .
Cs1 B4 Cs1 81.28(9) . 2_666
B1 B4 Cs1 77.1(2) . .
B1 B4 Cs1 133.5(2) . 2_666
B3 B4 Cs1 89.40(19) . 2_666
B3 B4 Cs1 107.0(2) . .
B3 B4 B1 59.4(2) . .
B5 B4 Cs1 93.7(2) . .
B5 B4 Cs1 164.3(2) . 2_666
B5 B4 B1 58.4(2) . .
B5 B4 B3 106.3(3) . .
B5 B4 B10 110.8(3) . .
B5 B4 B9 60.6(2) . .
B5 B4 C7A 60.6(2) . .
B10 B4 Cs1 76.9(2) . 2_666
B10 B4 Cs1 154.3(2) . .
B10 B4 B1 108.8(3) . .
B10 B4 B3 59.8(2) . .
B10 B4 B9 61.4(2) . .
B10 B4 C7A 61.4(2) . .
B9 B4 Cs1 142.4(2) . .
B9 B4 Cs1 115.6(2) . 2_666
B9 B4 B1 106.4(3) . .
B9 B4 B3 106.5(3) . .
C7A B4 Cs1 115.6(2) . 2_666
C7A B4 Cs1 142.4(2) . .
C7A B4 B1 106.4(3) . .
C7A B4 B3 106.5(3) . .
C8' B4' Cs1 155.6(3) . .
C8' B4' B1' 104.1(3) . .
C8' B4' B5' 102.4(3) . .
C8' B4' B9' 56.8(2) . .
C8' B4' B3' 56.9(3) . .
B1' B4' Cs1 97.6(2) . .
B1' B4' B9' 108.4(3) . .
B5' B4' Cs1 97.7(2) . .
B5' B4' B1' 61.4(3) . .
B5' B4' B9' 59.3(2) . .
B9' B4' Cs1 126.2(3) . .
B3' B4' Cs1 128.0(3) . .
B3' B4' B1' 61.6(3) . .
B3' B4' B5' 109.1(4) . .
B3' B4' B9' 105.8(4) . .
C8 B5 B1 104.9(3) . .
C8 B5 B4 102.9(3) . .
C8 B5 B6 59.2(3) . .
C8 B5 B9 55.1(2) . .
C8 B5 C7A 55.1(2) . .
B1 B5 B4 61.8(2) . .
B1 B5 B6 60.3(2) . .
B1 B5 B9 108.9(3) . .
B1 B5 C7A 108.9(3) . .
B4 B5 B9 60.4(2) . .
B4 B5 C7A 60.4(2) . .
B6 B5 B4 109.3(3) . .
B6 B5 B9 106.1(3) . .
B6 B5 C7A 106.1(3) . .
N1' B5' B1' 120.0(3) . .
N1' B5' B4' 126.1(3) . .
N1' B5' B6' 117.8(3) . .
N1' B5' B9' 125.4(3) . .
N1' B5' B10' 118.0(3) . .
B1' B5' B6' 59.5(3) . .
B4' B5' B1' 60.2(3) . .
B4' B5' B6' 106.9(3) . .
B4' B5' B9' 61.6(3) . .
B4' B5' B10' 110.0(3) . .
B9' B5' B1' 109.3(3) . .
B9' B5' B6' 106.2(3) . .
B9' B5' B10' 60.2(2) . .
B10' B5' B1' 108.8(3) . .
B10' B5' B6' 59.0(2) . .
C8 B6 B1 104.3(3) . .
C8 B6 B2 104.3(3) . .
C8 B6 B5 59.1(2) . .
C8 B6 C7 53.9(2) . .
C8 B6 B9A 53.9(2) . .
B2 B6 B1 60.3(2) . .
B5 B6 B1 59.7(2) . .
B5 B6 B2 108.3(3) . .
B5 B6 C7 102.1(3) . .
B5 B6 B9A 102.1(3) . .
C7 B6 B1 103.9(3) . .
C7 B6 B2 60.0(2) . .
B9A B6 B1 103.9(3) . .
B9A B6 B2 60.0(2) . .
B1' B6' Cs2 85.6(2) . 1_455
B1' B6' B5' 59.9(3) . .
B2' B6' Cs2 80.0(2) . 1_455
B2' B6' B1' 60.1(3) . .
B2' B6' B5' 107.4(3) . .
B2' B6' B10' 110.3(3) . .
B2' B6' B11' 61.2(3) . .
B5' B6' Cs2 129.9(2) . 1_455
B10' B6' Cs2 164.0(3) . 1_455
B10' B6' B1' 110.0(3) . .
B10' B6' B5' 60.0(2) . .
B10' B6' B11' 60.4(3) . .
B11' B6' Cs2 118.8(3) . 1_455
B11' B6' B1' 109.1(3) . .
B11' B6' B5' 106.9(3) . .
C8' B9' Cs2 110.1(2) . .
C8' B9' B4' 58.2(2) . .
C8' B9' B5' 103.4(3) . .
C8' B9' B10' 104.9(3) . .
C8' B9' B3A 57.2(5) . .
B4' B9' Cs2 90.1(2) . .
B5' B9' Cs2 109.5(2) . .
B5' B9' B4' 59.1(2) . .
B5' B9' B10' 61.2(2) . .
B5' B9' B3A 106.8(5) . .
B10' B9' Cs2 145.0(3) . .
B10' B9' B4' 108.8(3) . .
B3A B9' Cs2 143.6(5) . .
B3A B9' B4' 105.8(5) . .
B3A B9' B10' 60.1(5) . .
B3 B10 Cs1 89.5(2) . 2_666
B3 B10 B9 106.2(3) . .
B3 B10 C7A 106.2(3) . .
B4 B10 Cs1 76.4(2) . 2_666
B4 B10 B3 60.9(2) . .
B4 B10 B11 106.2(3) . .
B4 B10 B9 59.9(2) . .
B4 B10 C7A 59.9(2) . .
B11 B10 Cs1 137.4(2) . 2_666
B11 B10 B3 58.8(2) . .
B11 B10 B9 102.1(3) . .
B11 B10 C7A 102.1(3) . .
B9 B10 Cs1 114.4(2) . 2_666
C7A B10 Cs1 114.4(2) . 2_666
B5' B10' Cs2 93.7(2) . 2_667
B6' B10' Cs2 112.4(2) . 2_667
B6' B10' B5' 61.0(2) . .
B6' B10' B9' 106.5(3) . .
B6' B10' B11' 59.8(3) . .
B6' B10' B3A 102.2(5) . .
B9' B10' Cs2 109.3(3) . 2_667
B9' B10' B5' 58.6(2) . .
B9' B10' B11' 104.4(3) . .
B11' B10' Cs2 146.1(3) . 2_667
B11' B10' B5' 107.2(3) . .
B3A B10' Cs2 145.3(5) . 2_667
B3A B10' B5' 104.5(5) . .
B3A B10' B9' 59.7(5) . .
B3A B10' B11' 54.5(5) . .
B3 B11 B2 59.9(2) . .
B3 B11 B10 60.6(2) . .
B10 B11 B2 109.8(3) . .
C7 B11 B2 61.4(2) . .
C7 B11 B3 106.5(3) . .
C7 B11 B10 105.8(3) . .
B9A B11 B2 61.4(2) . .
B9A B11 B3 106.5(3) . .
B9A B11 B10 105.8(3) . .
C7' B11' B2' 57.9(3) . .
C7' B11' B6' 103.4(3) . .
C7' B11' B10' 106.3(3) . .
B6' B11' B2' 59.2(3) . .
B6' B11' B10' 59.8(3) . .
B10' B11' B2' 108.2(3) . .
B3A B11' C7' 58.2(5) . .
B3A B11' B2' 107.2(5) . .
B3A B11' B6' 108.3(5) . .
B3A B11' B10' 62.4(5) . .
C8 C7 B2 110.6(3) . .
C8 C7 B6 61.6(2) . .
C8 C7 B11 114.3(3) . .
B6 C7 B2 60.1(2) . .
B11 C7 B2 63.5(2) . .
B11 C7 B6 114.0(3) . .
C12 C7 C8 118.5(3) . .
C12 C7 B2 119.9(3) . .
C12 C7 B6 117.8(4) . .
C12 C7 B11 118.2(4) . .
C7' B3' B1' 105.2(4) . .
C7' B3' B2' 58.9(3) . .
C7' B3' B4' 106.3(5) . .
C8' B3' C7' 57.3(3) . .
C8' B3' B1' 105.1(5) . .
C8' B3' B2' 104.9(4) . .
C8' B3' B4' 59.6(3) . .
B2' B3' B1' 60.1(3) . .
B4' B3' B1' 60.3(3) . .
B4' B3' B2' 109.0(4) . .
C8 B9 B4 105.1(3) . .
C8 B9 B5 59.5(3) . .
C8 B9 B10 107.3(3) . .
B4 B9 B5 59.0(2) . .
B4 B9 B10 58.7(2) . .
B5 B9 B10 107.2(3) . .
C8 C7A B4 105.1(3) . .
C8 C7A B5 59.5(3) . .
C8 C7A B10 107.3(3) . .
B4 C7A B5 59.0(2) . .
B4 C7A B10 58.7(2) . .
B5 C7A B10 107.2(3) . .
C12A C7A C8 123.9(9) . .
C12A C7A B4 122.3(9) . .
C12A C7A B5 121.3(9) . .
C12A C7A B10 121.6(9) . .
C7' B3A C8' 58.2(5) . .
C7' B3A B9' 106.5(7) . .
C7' B3A B10' 109.3(7) . .
C7' B3A B11' 61.5(5) . .
C8' B3A B9' 57.8(4) . .
C8' B3A B10' 105.5(6) . .
B9' B3A B10' 60.2(4) . .
B11' B3A C8' 108.3(7) . .
B11' B3A B9' 111.7(6) . .
B11' B3A B10' 63.0(5) . .
C8 B9A B2 110.6(3) . .
C8 B9A B6 61.6(2) . .
C8 B9A B11 114.3(3) . .
B6 B9A B2 60.1(2) . .
B11 B9A B2 63.5(2) . .
B11 B9A B6 114.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 Cs2 4.7015(5) .
Cs1 O1 3.690(3) 2_666
Cs1 O1 2.910(2) .
Cs1 O1' 3.130(3) .
Cs1 N1 3.799(3) 2_666
Cs1 C14 3.593(3) 2_666
Cs1 C14' 3.571(3) .
Cs1 B1 3.754(5) .
Cs1 B4 3.826(4) 2_666
Cs1 B4 3.720(4) .
Cs1 B4' 3.872(4) .
Cs1 B10 3.834(5) 2_666
Cs2 O1 3.274(3) .
Cs2 O1' 2.946(3) .
Cs2 N1 3.760(3) .
Cs2 N1' 3.795(3) 2_667
Cs2 C14 3.422(3) .
Cs2 C16' 3.889(4) 2_667
Cs2 B1 3.775(4) .
Cs2 B6' 3.896(5) 1_655
Cs2 B9' 3.913(5) .
Cs2 B10' 3.943(5) 2_667
O1 Cs1 3.690(3) 2_666
O1 C14 1.235(4) .
O1' C14' 1.228(4) .
N1 Cs1 3.799(3) 2_666
N1 C14 1.328(5) .
N1 B3 1.510(5) .
N1' Cs2 3.795(3) 2_667
N1' C14' 1.330(5) .
N1' B5' 1.513(5) .
C7' C8' 1.571(6) .
C7' C12' 1.532(5) .
C7' B2' 1.676(6) .
C7' B11' 1.648(6) .
C7' B3' 1.650(8) .
C7' B3A 1.593(14) .
C8 C13 1.529(5) .
C8 B5 1.704(6) .
C8 B6 1.706(5) .
C8 C7 1.567(5) .
C8 B9 1.623(6) .
C8 C7A 1.623(6) .
C8 B9A 1.567(5) .
C8' C13' 1.532(5) .
C8' B4' 1.676(5) .
C8' B9' 1.649(6) .
C8' B3' 1.627(9) .
C8' B3A 1.638(14) .
C14 Cs1 3.593(3) 2_666
C14 C15 1.502(4) .
C14' C15' 1.513(5) .
C15 C16 1.382(5) .
C15 C20 1.371(5) .
C15' C16' 1.378(5) .
C15' C20' 1.369(5) .
C16 C17 1.393(5) .
C16' Cs2 3.889(4) 2_667
C16' C17' 1.387(5) .
C17 C18 1.359(7) .
C17' C18' 1.367(6) .
C18 C19 1.361(7) .
C18' C19' 1.350(6) .
C19 C20 1.386(5) .
C19' C20' 1.386(5) .
B1 B2 1.760(6) .
B1 B3 1.786(5) .
B1 B4 1.804(6) .
B1 B5 1.742(5) .
B1 B6 1.753(6) .
B1' B2' 1.780(7) .
B1' B4' 1.776(7) .
B1' B5' 1.796(7) .
B1' B6' 1.789(7) .
B1' B3' 1.799(8) .
B2 B3 1.764(6) .
B2 B6 1.751(6) .
B2 B11 1.782(6) .
B2 C7 1.749(6) .
B2 B9A 1.749(6) .
B2' B6' 1.764(7) .
B2' B11' 1.801(7) .
B2' B3' 1.756(9) .
B3 B4 1.801(5) .
B3 B10 1.780(5) .
B3 B11 1.747(6) .
B4 Cs1 3.826(4) 2_666
B4 B5 1.768(6) .
B4 B10 1.772(6) .
B4 B9 1.794(6) .
B4 C7A 1.794(6) .
B4' B5' 1.742(6) .
B4' B9' 1.786(6) .
B4' B3' 1.737(9) .
B5 B6 1.746(6) .
B5 B9 1.798(6) .
B5 C7A 1.798(6) .
B5' B6' 1.808(6) .
B5' B9' 1.746(6) .
B5' B10' 1.791(6) .
B6 C7 1.748(6) .
B6 B9A 1.748(6) .
B6' Cs2 3.896(5) 1_455
B6' B10' 1.772(7) .
B6' B11' 1.773(6) .
B9' B10' 1.775(6) .
B9' B3A 1.766(13) .
B10 Cs1 3.834(5) 2_666
B10 B11 1.779(6) .
B10 B9 1.822(6) .
B10 C7A 1.822(6) .
B10' Cs2 3.943(5) 2_667
B10' B11' 1.783(7) .
B10' B3A 1.772(14) .
B11 C7 1.633(6) .
B11 B9A 1.633(6) .
B11' B3A 1.629(14) .
C7 C12 1.487(6) .
C7A C12A 1.258(13) .
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_4
Cs1 O1 C14 Cs1 61.3(9) . 2_666
Cs1 O1 C14 Cs2 -107.8(8) . .
Cs1 O1 C14 Cs2 -169.03(7) 2_666 .
Cs1 O1 C14 N1 -85.0(3) 2_666 .
Cs1 O1 C14 N1 -23.7(11) . .
Cs1 O1 C14 C15 94.7(3) 2_666 .
Cs1 O1 C14 C15 156.0(7) . .
Cs1 O1' C14' N1' -89.1(4) . .
Cs1 O1' C14' C15' 91.1(3) . .
Cs1 N1 C14 Cs2 155.07(11) 2_666 .
Cs1 N1 C14 O1 82.9(3) 2_666 .
Cs1 N1 C14 C15 -96.9(3) 2_666 .
Cs1 N1 B3 B1 -103.9(3) 2_666 .
Cs1 N1 B3 B2 -177.3(3) 2_666 .
Cs1 N1 B3 B4 -29.2(3) 2_666 .
Cs1 N1 B3 B10 40.1(3) 2_666 .
Cs1 N1 B3 B11 109.9(3) 2_666 .
Cs1 C14 C15 C16 -115.3(3) 2_666 .
Cs1 C14 C15 C20 66.9(3) 2_666 .
Cs1 C14' C15' C16' -124.1(3) . .
Cs1 C14' C15' C20' 56.5(4) . .
Cs1 B1 B2 B3 -55.8(6) . .
Cs1 B1 B2 B6 166.4(6) . .
Cs1 B1 B2 B11 -93.7(6) . .
Cs1 B1 B2 C7 -151.0(5) . .
Cs1 B1 B2 B9A -151.0(5) . .
Cs1 B1 B3 N1 49.9(4) . .
Cs1 B1 B3 B2 160.5(2) . .
Cs1 B1 B3 B4 -61.6(2) . .
Cs1 B1 B3 B10 -96.4(3) . .
Cs1 B1 B3 B11 -160.6(2) . .
Cs1 B1 B4 Cs1 64.4(3) . 2_666
Cs1 B1 B4 B3 119.0(2) . .
Cs1 B1 B4 B5 -102.7(2) . .
Cs1 B1 B4 B10 154.0(3) . .
Cs1 B1 B4 B9 -141.2(3) . .
Cs1 B1 B4 C7A -141.2(3) . .
Cs1 B1 B5 C8 167.5(2) . .
Cs1 B1 B5 B4 70.7(2) . .
Cs1 B1 B5 B6 -152.0(2) . .
Cs1 B1 B5 B9 109.8(3) . .
Cs1 B1 B5 C7A 109.8(3) . .
Cs1 B1 B6 C8 90.1(4) . .
Cs1 B1 B6 B2 -171.5(4) . .
Cs1 B1 B6 B5 49.8(4) . .
Cs1 B1 B6 C7 145.8(3) . .
Cs1 B1 B6 B9A 145.8(3) . .
Cs1 B4 B5 C8 116.7(9) 2_666 .
Cs1 B4 B5 C8 -172.6(2) . .
Cs1 B4 B5 B1 -72.4(2) . .
Cs1 B4 B5 B1 -143.1(9) 2_666 .
Cs1 B4 B5 B6 178.3(8) 2_666 .
Cs1 B4 B5 B6 -111.0(3) . .
Cs1 B4 B5 B9 151.0(2) . .
Cs1 B4 B5 B9 80.2(9) 2_666 .
Cs1 B4 B5 C7A 80.2(9) 2_666 .
Cs1 B4 B5 C7A 151.0(2) . .
Cs1 B4 B10 Cs1 -32.5(5) . 2_666
Cs1 B4 B10 B3 64.6(5) . .
Cs1 B4 B10 B3 97.09(19) 2_666 .
Cs1 B4 B10 B11 103.5(6) . .
Cs1 B4 B10 B11 135.9(2) 2_666 .
Cs1 B4 B10 B9 -129.2(2) 2_666 .
Cs1 B4 B10 B9 -161.7(6) . .
Cs1 B4 B10 C7A -129.2(2) 2_666 .
Cs1 B4 B10 C7A -161.7(6) . .
Cs1 B4 B9 C8 -91.6(4) . .
Cs1 B4 B9 C8 158.1(2) 2_666 .
Cs1 B4 B9 B5 -52.5(4) . .
Cs1 B4 B9 B5 -162.8(3) 2_666 .
Cs1 B4 B9 B10 56.8(2) 2_666 .
Cs1 B4 B9 B10 167.1(4) . .
Cs1 B4 C7A C8 -91.6(4) . .
Cs1 B4 C7A C8 158.1(2) 2_666 .
Cs1 B4 C7A B5 -52.5(4) . .
Cs1 B4 C7A B5 -162.8(3) 2_666 .
Cs1 B4 C7A B10 167.1(4) . .
Cs1 B4 C7A B10 56.8(2) 2_666 .
Cs1 B4 C7A C12A -53.1(11) 2_666 .
Cs1 B4 C7A C12A 57.2(12) . .
Cs1 B4' B5' N1' 12.8(4) . .
Cs1 B4' B5' B1' -94.4(2) . .
Cs1 B4' B5' B6' -132.7(2) . .
Cs1 B4' B5' B9' 127.7(3) . .
Cs1 B4' B5' B10' 164.8(3) . .
Cs1 B4' B9' Cs2 36.6(2) . .
Cs1 B4' B9' C8' 150.4(3) . .
Cs1 B4' B9' B5' -76.1(3) . .
Cs1 B4' B9' B10' -113.3(3) . .
Cs1 B4' B9' B3A -176.5(5) . .
Cs1 B4' B3' C7' 175.0(2) . .
Cs1 B4' B3' C8' -150.5(3) . .
Cs1 B4' B3' B1' 76.5(4) . .
Cs1 B4' B3' B2' 113.0(4) . .
Cs1 B10 B11 B2 83.1(4) 2_666 .
Cs1 B10 B11 B3 47.5(3) 2_666 .
Cs1 B10 B11 C7 147.9(3) 2_666 .
Cs1 B10 B11 B9A 147.9(3) 2_666 .
Cs1 B10 B9 C8 -153.3(2) 2_666 .
Cs1 B10 B9 B4 -55.8(2) 2_666 .
Cs1 B10 B9 B5 -90.7(3) 2_666 .
Cs1 B10 C7A C8 -153.3(2) 2_666 .
Cs1 B10 C7A B4 -55.8(2) 2_666 .
Cs1 B10 C7A B5 -90.7(3) 2_666 .
Cs1 B10 C7A C12A 55.3(11) 2_666 .
Cs2 O1 C14 Cs1 169.03(7) . 2_666
Cs2 O1 C14 N1 84.0(3) . .
Cs2 O1 C14 C15 -96.2(3) . .
Cs2 O1' C14' Cs1 160.6(7) . .
Cs2 O1' C14' N1' 71.5(8) . .
Cs2 O1' C14' C15' -108.3(6) . .
Cs2 N1 C14 Cs1 -155.07(11) . 2_666
Cs2 N1 C14 O1 -72.2(3) . .
Cs2 N1 C14 C15 108.1(3) . .
Cs2 N1 B3 B1 26.7(4) . .
Cs2 N1 B3 B2 -46.7(3) . .
Cs2 N1 B3 B4 101.5(3) . .
Cs2 N1 B3 B10 170.8(3) . .
Cs2 N1 B3 B11 -119.4(3) . .
Cs2 N1' C14' Cs1 -175.73(8) 2_667 .
Cs2 N1' C14' O1' -112.6(3) 2_667 .
Cs2 N1' C14' C15' 67.1(3) 2_667 .
Cs2 N1' B5' B1' -143.7(3) 2_667 .
Cs2 N1' B5' B4' 143.1(3) 2_667 .
Cs2 N1' B5' B6' -74.6(3) 2_667 .
Cs2 N1' B5' B9' 64.8(4) 2_667 .
Cs2 N1' B5' B10' -6.9(4) 2_667 .
Cs2 C14 C15 C16 79.5(3) . .
Cs2 C14 C15 C20 -98.3(3) . .
Cs2 C16' C17' C18' -110.8(5) 2_667 .
Cs2 B1 B2 B3 -92.14(18) . .
Cs2 B1 B2 B6 130.1(2) . .
Cs2 B1 B2 B11 -130.0(2) . .
Cs2 B1 B2 C7 172.7(2) . .
Cs2 B1 B2 B9A 172.7(2) . .
Cs2 B1 B3 N1 -26.6(4) . .
Cs2 B1 B3 B2 84.03(19) . .
Cs2 B1 B3 B4 -138.0(2) . .
Cs2 B1 B3 B10 -172.9(3) . .
Cs2 B1 B3 B11 122.9(2) . .
Cs2 B1 B4 Cs1 -58.9(2) . .
Cs2 B1 B4 Cs1 5.5(5) . 2_666
Cs2 B1 B4 B3 60.1(3) . .
Cs2 B1 B4 B5 -161.5(3) . .
Cs2 B1 B4 B10 95.1(3) . .
Cs2 B1 B4 B9 159.9(2) . .
Cs2 B1 B4 C7A 159.9(2) . .
Cs2 B1 B5 C8 -136.5(8) . .
Cs2 B1 B5 B4 126.6(9) . .
Cs2 B1 B5 B6 -96.1(9) . .
Cs2 B1 B5 B9 165.8(7) . .
Cs2 B1 B5 C7A 165.8(7) . .
Cs2 B1 B6 C8 -160.2(2) . .
Cs2 B1 B6 B2 -61.8(3) . .
Cs2 B1 B6 B5 159.5(3) . .
Cs2 B1 B6 C7 -104.5(3) . .
Cs2 B1 B6 B9A -104.5(3) . .
Cs2 B6' B10' Cs2 51.4(10) 1_455 2_667
Cs2 B6' B10' B5' 132.8(9) 1_455 .
Cs2 B6' B10' B9' 171.1(8) 1_455 .
Cs2 B6' B10' B11' -91.6(9) 1_455 .
Cs2 B6' B10' B3A -127.2(9) 1_455 .
Cs2 B6' B11' C7' -97.0(3) 1_455 .
Cs2 B6' B11' B2' -58.1(3) 1_455 .
Cs2 B6' B11' B10' 161.7(3) 1_455 .
Cs2 B6' B11' B3A -157.5(6) 1_455 .
Cs2 B9' B10' Cs2 -0.7(5) . 2_667
Cs2 B9' B10' B5' -83.0(4) . .
Cs2 B9' B10' B6' -122.3(4) . .
Cs2 B9' B10' B11' 175.4(3) . .
Cs2 B9' B10' B3A 142.9(6) . .
Cs2 B9' B3A C7' 112.6(7) . .
Cs2 B9' B3A C8' 79.4(8) . .
Cs2 B9' B3A B10' -144.2(7) . .
Cs2 B9' B3A B11' 178.0(3) . .
Cs2 B10' B11' C7' 178.0(3) 2_667 .
Cs2 B10' B11' B2' -121.1(4) 2_667 .
Cs2 B10' B11' B6' -85.8(5) 2_667 .
Cs2 B10' B11' B3A 138.6(6) 2_667 .
Cs2 B10' B3A C7' 178.5(3) 2_667 .
Cs2 B10' B3A C8' 117.4(7) 2_667 .
Cs2 B10' B3A B9' 80.1(8) 2_667 .
Cs2 B10' B3A B11' -139.6(6) 2_667 .
O1 C14 C15 C16 157.0(3) . .
O1 C14 C15 C20 -20.8(5) . .
O1' C14' C15' C16' 173.0(4) . .
O1' C14' C15' C20' -6.4(5) . .
N1 C14 C15 C16 -23.2(5) . .
N1 C14 C15 C20 159.0(4) . .
N1 B3 B4 Cs1 28.8(3) . 2_666
N1 B3 B4 Cs1 -51.9(4) . .
N1 B3 B4 B1 -114.9(4) . .
N1 B3 B4 B5 -151.1(3) . .
N1 B3 B4 B10 104.0(4) . .
N1 B3 B4 B9 145.4(3) . .
N1 B3 B4 C7A 145.4(3) . .
N1 B3 B10 Cs1 -39.5(3) . 2_666
N1 B3 B10 B4 -114.2(4) . .
N1 B3 B10 B11 110.6(3) . .
N1 B3 B10 B9 -154.8(3) . .
N1 B3 B10 C7A -154.8(3) . .
N1 B3 B11 B2 113.3(4) . .
N1 B3 B11 B10 -106.0(4) . .
N1 B3 B11 C7 154.9(3) . .
N1 B3 B11 B9A 154.9(3) . .
N1' C14' C15' C16' -6.8(5) . .
N1' C14' C15' C20' 173.8(4) . .
N1' B5' B6' Cs2 -57.2(4) . 1_455
N1' B5' B6' B1' -110.3(4) . .
N1' B5' B6' B2' -148.5(3) . .
N1' B5' B6' B10' 107.6(4) . .
N1' B5' B6' B11' 147.1(3) . .
N1' B5' B9' Cs2 38.0(4) . .
N1' B5' B9' C8' 155.3(3) . .
N1' B5' B9' B4' 115.9(4) . .
N1' B5' B9' B10' -104.9(4) . .
N1' B5' B9' B3A -145.4(6) . .
N1' B5' B10' Cs2 6.5(3) . 2_667
N1' B5' B10' B6' -107.2(4) . .
N1' B5' B10' B9' 116.8(4) . .
N1' B5' B10' B11' -146.5(3) . .
N1' B5' B10' B3A 156.7(5) . .
C7' C8' B4' Cs1 148.5(6) . .
C7' C8' B4' B1' -3.2(4) . .
C7' C8' B4' B5' -66.4(4) . .
C7' C8' B4' B9' -106.2(4) . .
C7' C8' B4' B3' 38.4(4) . .
C7' C8' B9' Cs2 -177.2(2) . .
C7' C8' B9' B4' 105.7(4) . .
C7' C8' B9' B5' 66.0(4) . .
C7' C8' B9' B10' 2.7(4) . .
C7' C8' B9' B3A -35.5(5) . .
C7' C8' B3' B1' -98.6(4) . .
C7' C8' B3' B2' -36.2(3) . .
C7' C8' B3' B4' -139.8(3) . .
C7' C8' B3A B9' 141.8(5) . .
C7' C8' B3A B10' 103.4(7) . .
C7' C8' B3A B11' 37.2(5) . .
C7' B2' B6' Cs2 169.0(3) . 1_455
C7' B2' B6' B1' -100.3(4) . .
C7' B2' B6' B5' -62.1(4) . .
C7' B2' B6' B10' 1.7(4) . .
C7' B2' B6' B11' 38.1(3) . .
C7' B2' B11' B6' -133.8(4) . .
C7' B2' B11' B10' -98.2(4) . .
C7' B2' B11' B3A -32.3(5) . .
C7' B2' B3' C8' 35.5(3) . .
C7' B2' B3' B1' 134.6(4) . .
C7' B2' B3' B4' 98.0(5) . .
C7' B11' B3A C8' -35.7(5) . .
C7' B11' B3A B9' -97.5(8) . .
C7' B11' B3A B10' -134.2(5) . .
C8 B5 B6 B1 133.1(3) . .
C8 B5 B6 B2 96.0(3) . .
C8 B5 B6 C7 33.9(2) . .
C8 B5 B6 B9A 33.9(2) . .
C8 B5 B9 B4 -135.1(3) . .
C8 B5 B9 B10 -100.3(3) . .
C8 B5 C7A B4 -135.1(3) . .
C8 B5 C7A B10 -100.3(3) . .
C8 B5 C7A C12A 113.6(11) . .
C8 B6 C7 B2 140.6(3) . .
C8 B6 C7 B11 105.7(4) . .
C8 B6 C7 C12 -109.1(4) . .
C8 B6 B9A B2 140.6(3) . .
C8 B6 B9A B11 105.7(4) . .
C8' C7' B2' B1' 1.6(4) . .
C8' C7' B2' B6' 64.2(4) . .
C8' C7' B2' B11' 103.8(4) . .
C8' C7' B2' B3' -38.7(4) . .
C8' C7' B11' B2' -104.9(3) . .
C8' C7' B11' B6' -65.3(4) . .
C8' C7' B11' B10' -3.3(4) . .
C8' C7' B11' B3A 38.2(5) . .
C8' C7' B3' B1' 98.4(5) . .
C8' C7' B3' B2' 138.1(4) . .
C8' C7' B3' B4' 35.5(3) . .
C8' C7' B3A B9' -33.1(5) . .
C8' C7' B3A B10' -96.6(6) . .
C8' C7' B3A B11' -139.3(5) . .
C8' B4' B5' N1' -153.3(4) . .
C8' B4' B5' B1' 99.4(4) . .
C8' B4' B5' B6' 61.1(4) . .
C8' B4' B5' B9' -38.4(3) . .
C8' B4' B5' B10' -1.3(5) . .
C8' B4' B9' Cs2 -113.8(2) . .
C8' B4' B9' B5' 133.5(3) . .
C8' B4' B9' B10' 96.3(3) . .
C8' B4' B9' B3A 33.1(5) . .
C8' B4' B3' C7' -34.5(3) . .
C8' B4' B3' B1' -133.0(4) . .
C8' B4' B3' B2' -96.5(4) . .
C8' B9' B10' Cs2 179.6(2) . 2_667
C8' B9' B10' B5' 97.3(3) . .
C8' B9' B10' B6' 57.9(4) . .
C8' B9' B10' B11' -4.4(4) . .
C8' B9' B10' B3A -36.9(5) . .
C8' B9' B3A C7' 33.3(5) . .
C8' B9' B3A B10' 136.4(5) . .
C8' B9' B3A B11' 98.6(8) . .
C12' C7' C8' C13' 1.1(6) . .
C12' C7' C8' B4' -143.7(4) . .
C12' C7' C8' B9' 144.7(4) . .
C12' C7' C8' B3' -104.8(5) . .
C12' C7' C8' B3A 107.0(6) . .
C12' C7' B2' B1' 146.3(4) . .
C12' C7' B2' B6' -151.2(4) . .
C12' C7' B2' B11' -111.5(4) . .
C12' C7' B2' B3' 106.0(5) . .
C12' C7' B11' B2' 111.0(4) . .
C12' C7' B11' B6' 150.6(4) . .
C12' C7' B11' B10' -147.4(4) . .
C12' C7' B11' B3A -105.9(6) . .
C12' C7' B3' C8' 110.3(4) . .
C12' C7' B3' B1' -151.3(4) . .
C12' C7' B3' B2' -111.5(4) . .
C12' C7' B3' B4' 145.8(4) . .
C12' C7' B3A C8' -110.4(4) . .
C12' C7' B3A B9' -143.5(5) . .
C12' C7' B3A B10' 153.0(5) . .
C12' C7' B3A B11' 110.3(5) . .
C13 C8 B5 B1 146.8(3) . .
C13 C8 B5 B4 -149.3(3) . .
C13 C8 B5 B6 105.8(4) . .
C13 C8 B5 B9 -110.2(4) . .
C13 C8 B5 C7A -110.2(4) . .
C13 C8 B6 B1 -151.5(4) . .
C13 C8 B6 B2 146.1(4) . .
C13 C8 B6 B5 -110.9(4) . .
C13 C8 B6 C7 111.6(4) . .
C13 C8 B6 B9A 111.6(4) . .
C13 C8 C7 B2 -143.1(3) . .
C13 C8 C7 B6 -107.1(4) . .
C13 C8 C7 B11 147.6(4) . .
C13 C8 C7 C12 1.0(6) . .
C13 C8 B9 B4 150.3(4) . .
C13 C8 B9 B5 111.5(4) . .
C13 C8 B9 B10 -148.4(4) . .
C13 C8 C7A B4 150.3(4) . .
C13 C8 C7A B5 111.5(4) . .
C13 C8 C7A B10 -148.4(4) . .
C13 C8 C7A C12A 2.2(12) . .
C13 C8 B9A B2 -143.1(3) . .
C13 C8 B9A B6 -107.1(4) . .
C13 C8 B9A B11 147.6(4) . .
C13' C8' B4' Cs1 3.8(10) . .
C13' C8' B4' B1' -147.9(4) . .
C13' C8' B4' B5' 148.8(4) . .
C13' C8' B4' B9' 109.1(5) . .
C13' C8' B4' B3' -106.4(5) . .
C13' C8' B9' Cs2 -33.3(4) . .
C13' C8' B9' B4' -110.3(4) . .
C13' C8' B9' B5' -150.1(3) . .
C13' C8' B9' B10' 146.6(3) . .
C13' C8' B9' B3A 108.4(6) . .
C13' C8' B3' C7' -109.8(4) . .
C13' C8' B3' B1' 151.5(4) . .
C13' C8' B3' B2' -146.1(4) . .
C13' C8' B3' B4' 110.4(4) . .
C13' C8' B3A C7' 108.6(5) . .
C13' C8' B3A B9' -109.6(5) . .
C13' C8' B3A B10' -148.0(5) . .
C13' C8' B3A B11' 145.8(6) . .
C14 N1 B3 B1 -34.3(6) . .
C14 N1 B3 B2 -107.7(4) . .
C14 N1 B3 B4 40.5(5) . .
C14 N1 B3 B10 109.8(4) . .
C14 N1 B3 B11 179.6(4) . .
C14 C15 C16 C17 -178.6(3) . .
C14 C15 C20 C19 179.9(4) . .
C14' N1' B5' B1' 110.0(5) . .
C14' N1' B5' B4' 36.8(6) . .
C14' N1' B5' B6' 179.1(4) . .
C14' N1' B5' B9' -41.5(6) . .
C14' N1' B5' B10' -113.2(4) . .
C14' C15' C16' Cs2 -56.0(3) . 2_667
C14' C15' C16' C17' -178.8(4) . .
C14' C15' C20' C19' 179.4(4) . .
C15 C16 C17 C18 -0.5(6) . .
C15' C16' C17' C18' -0.9(7) . .
C16 C15 C20 C19 2.1(7) . .
C16 C17 C18 C19 0.5(8) . .
C16' C15' C20' C19' -0.1(6) . .
C16' C17' C18' C19' 0.7(8) . .
C17 C18 C19 C20 0.7(8) . .
C17' C18' C19' C20' -0.2(9) . .
C18 C19 C20 C15 -2.0(8) . .
C18' C19' C20' C15' -0.1(8) . .
C20 C15 C16 C17 -0.8(6) . .
C20' C15' C16' Cs2 123.4(3) . 2_667
C20' C15' C16' C17' 0.6(6) . .
B1 B2 B3 N1 114.6(4) . .
B1 B2 B3 B4 -37.7(3) . .
B1 B2 B3 B10 -100.8(3) . .
B1 B2 B3 B11 -136.8(3) . .
B1 B2 B6 C8 98.6(3) . .
B1 B2 B6 B5 36.8(3) . .
B1 B2 B6 C7 130.5(3) . .
B1 B2 B6 B9A 130.5(3) . .
B1 B2 B11 B3 38.7(3) . .
B1 B2 B11 B10 2.8(4) . .
B1 B2 B11 C7 -94.8(3) . .
B1 B2 B11 B9A -94.8(3) . .
B1 B2 C7 C8 -6.0(4) . .
B1 B2 C7 B6 -42.6(3) . .
B1 B2 C7 B11 101.7(3) . .
B1 B2 C7 C12 -149.5(4) . .
B1 B2 B9A C8 -6.0(4) . .
B1 B2 B9A B6 -42.6(3) . .
B1 B2 B9A B11 101.7(3) . .
B1 B3 B4 Cs1 63.1(2) . .
B1 B3 B4 Cs1 143.8(2) . 2_666
B1 B3 B4 B5 -36.1(3) . .
B1 B3 B4 B10 -141.1(3) . .
B1 B3 B4 B9 -99.6(3) . .
B1 B3 B4 C7A -99.6(3) . .
B1 B3 B10 Cs1 110.0(3) . 2_666
B1 B3 B10 B4 35.3(3) . .
B1 B3 B10 B11 -99.9(3) . .
B1 B3 B10 B9 -5.3(4) . .
B1 B3 B10 C7A -5.3(4) . .
B1 B3 B11 B2 -38.2(3) . .
B1 B3 B11 B10 102.5(3) . .
B1 B3 B11 C7 3.4(4) . .
B1 B3 B11 B9A 3.4(4) . .
B1 B4 B5 C8 -100.2(3) . .
B1 B4 B5 B6 -38.6(3) . .
B1 B4 B5 B9 -136.7(3) . .
B1 B4 B5 C7A -136.7(3) . .
B1 B4 B10 Cs1 -131.9(2) . 2_666
B1 B4 B10 B3 -34.8(3) . .
B1 B4 B10 B11 4.0(4) . .
B1 B4 B10 B9 98.9(3) . .
B1 B4 B10 C7A 98.9(3) . .
B1 B4 B9 C8 -1.5(4) . .
B1 B4 B9 B5 37.5(3) . .
B1 B4 B9 B10 -102.8(3) . .
B1 B4 C7A C8 -1.5(4) . .
B1 B4 C7A B5 37.5(3) . .
B1 B4 C7A B10 -102.8(3) . .
B1 B4 C7A C12A 147.2(11) . .
B1 B5 B6 C8 -133.1(3) . .
B1 B5 B6 B2 -37.1(3) . .
B1 B5 B6 C7 -99.2(3) . .
B1 B5 B6 B9A -99.2(3) . .
B1 B5 B9 C8 95.3(3) . .
B1 B5 B9 B4 -39.8(3) . .
B1 B5 B9 B10 -5.0(4) . .
B1 B5 C7A C8 95.3(3) . .
B1 B5 C7A B4 -39.8(3) . .
B1 B5 C7A B10 -5.0(4) . .
B1 B5 C7A C12A -151.1(11) . .
B1 B6 C7 C8 -97.8(3) . .
B1 B6 C7 B2 42.9(3) . .
B1 B6 C7 B11 8.0(4) . .
B1 B6 C7 C12 153.1(4) . .
B1 B6 B9A C8 -97.8(3) . .
B1 B6 B9A B2 42.9(3) . .
B1 B6 B9A B11 8.0(4) . .
B1' B2' B6' Cs2 -90.7(2) . 1_455
B1' B2' B6' B5' 38.2(3) . .
B1' B2' B6' B10' 101.9(4) . .
B1' B2' B6' B11' 138.3(4) . .
B1' B2' B11' C7' 96.2(4) . .
B1' B2' B11' B6' -37.6(3) . .
B1' B2' B11' B10' -2.0(4) . .
B1' B2' B11' B3A 63.9(6) . .
B1' B2' B3' C7' -134.6(4) . .
B1' B2' B3' C8' -99.1(5) . .
B1' B2' B3' B4' -36.6(4) . .
B1' B4' B5' N1' 107.3(4) . .
B1' B4' B5' B6' -38.3(3) . .
B1' B4' B5' B9' -137.9(3) . .
B1' B4' B5' B10' -100.8(4) . .
B1' B4' B9' Cs2 151.1(3) . .
B1' B4' B9' C8' -95.1(4) . .
B1' B4' B9' B5' 38.4(3) . .
B1' B4' B9' B10' 1.2(4) . .
B1' B4' B9' B3A -62.0(6) . .
B1' B4' B3' C7' 98.5(4) . .
B1' B4' B3' C8' 133.0(4) . .
B1' B4' B3' B2' 36.5(4) . .
B1' B5' B6' Cs2 53.1(3) . 1_455
B1' B5' B6' B2' -38.3(3) . .
B1' B5' B6' B10' -142.1(3) . .
B1' B5' B6' B11' -102.7(3) . .
B1' B5' B9' Cs2 -116.1(3) . .
B1' B5' B9' C8' 1.3(4) . .
B1' B5' B9' B4' -38.1(3) . .
B1' B5' B9' B10' 101.1(4) . .
B1' B5' B9' B3A 60.6(6) . .
B1' B5' B10' Cs2 147.6(2) . 2_667
B1' B5' B10' B6' 34.0(3) . .
B1' B5' B10' B9' -102.0(3) . .
B1' B5' B10' B11' -5.3(4) . .
B1' B5' B10' B3A -62.2(6) . .
B1' B6' B10' Cs2 -115.8(3) . 2_667
B1' B6' B10' B5' -34.4(3) . .
B1' B6' B10' B9' 3.9(4) . .
B1' B6' B10' B11' 101.2(3) . .
B1' B6' B10' B3A 65.6(5) . .
B1' B6' B11' C7' -1.4(5) . .
B1' B6' B11' B2' 37.6(3) . .
B1' B6' B11' B10' -102.6(4) . .
B1' B6' B11' B3A -61.9(7) . .
B2 B1 B3 N1 -110.6(4) . .
B2 B1 B3 B4 138.0(3) . .
B2 B1 B3 B10 103.1(3) . .
B2 B1 B3 B11 38.9(3) . .
B2 B1 B4 Cs1 -92.0(4) . 2_666
B2 B1 B4 Cs1 -156.4(2) . .
B2 B1 B4 B3 -37.4(3) . .
B2 B1 B4 B5 101.0(3) . .
B2 B1 B4 B10 -2.4(4) . .
B2 B1 B4 B9 62.4(3) . .
B2 B1 B4 C7A 62.4(3) . .
B2 B1 B5 C8 -3.6(4) . .
B2 B1 B5 B4 -100.5(3) . .
B2 B1 B5 B6 36.8(3) . .
B2 B1 B5 B9 -61.4(4) . .
B2 B1 B5 C7A -61.4(4) . .
B2 B1 B6 C8 -98.4(3) . .
B2 B1 B6 B5 -138.7(3) . .
B2 B1 B6 C7 -42.7(3) . .
B2 B1 B6 B9A -42.7(3) . .
B2 B3 B4 Cs1 100.4(3) . .
B2 B3 B4 Cs1 -178.9(2) . 2_666
B2 B3 B4 B1 37.3(3) . .
B2 B3 B4 B5 1.1(4) . .
B2 B3 B4 B10 -103.8(3) . .
B2 B3 B4 B9 -62.4(3) . .
B2 B3 B4 C7A -62.4(3) . .
B2 B3 B10 Cs1 173.6(2) . 2_666
B2 B3 B10 B4 99.0(3) . .
B2 B3 B10 B11 -36.3(3) . .
B2 B3 B10 B9 58.3(4) . .
B2 B3 B10 C7A 58.3(4) . .
B2 B3 B11 B10 140.7(3) . .
B2 B3 B11 C7 41.6(3) . .
B2 B3 B11 B9A 41.6(3) . .
B2 B6 C7 C8 -140.6(3) . .
B2 B6 C7 B11 -34.9(3) . .
B2 B6 C7 C12 110.2(4) . .
B2 B6 B9A C8 -140.6(3) . .
B2 B6 B9A B11 -34.9(3) . .
B2 B11 C7 C8 102.0(4) . .
B2 B11 C7 B6 33.7(3) . .
B2 B11 C7 C12 -111.3(4) . .
B2 B11 B9A C8 102.0(4) . .
B2 B11 B9A B6 33.7(3) . .
B2' C7' C8' C13' 145.8(4) . .
B2' C7' C8' B4' 1.1(5) . .
B2' C7' C8' B9' -70.6(4) . .
B2' C7' C8' B3' 40.0(4) . .
B2' C7' C8' B3A -108.3(6) . .
B2' C7' B11' B6' 39.6(3) . .
B2' C7' B11' B10' 101.6(3) . .
B2' C7' B11' B3A 143.1(5) . .
B2' C7' B3' C8' -138.1(4) . .
B2' C7' B3' B1' -39.8(4) . .
B2' C7' B3' B4' -102.6(4) . .
B2' C7' B3A C8' 102.0(5) . .
B2' C7' B3A B9' 68.9(8) . .
B2' C7' B3A B10' 5.4(9) . .
B2' C7' B3A B11' -37.3(5) . .
B2' B1' B4' Cs1 -164.7(3) . .
B2' B1' B4' C8' 3.9(4) . .
B2' B1' B4' B5' 100.6(3) . .
B2' B1' B4' B9' 63.2(4) . .
B2' B1' B4' B3' -35.3(4) . .
B2' B1' B5' N1' 144.3(3) . .
B2' B1' B5' B4' -98.7(3) . .
B2' B1' B5' B6' 37.8(3) . .
B2' B1' B5' B9' -60.0(4) . .
B2' B1' B5' B10' 4.1(4) . .
B2' B1' B6' Cs2 80.9(2) . 1_455
B2' B1' B6' B5' -137.0(3) . .
B2' B1' B6' B10' -102.6(3) . .
B2' B1' B6' B11' -38.1(3) . .
B2' B1' B3' C7' 39.2(4) . .
B2' B1' B3' C8' 98.7(4) . .
B2' B1' B3' B4' 139.6(4) . .
B2' B6' B10' Cs2 179.7(2) . 2_667
B2' B6' B10' B5' -98.9(3) . .
B2' B6' B10' B9' -60.6(4) . .
B2' B6' B10' B11' 36.7(3) . .
B2' B6' B10' B3A 1.1(6) . .
B2' B6' B11' C7' -39.0(3) . .
B2' B6' B11' B10' -140.2(3) . .
B2' B6' B11' B3A -99.5(6) . .
B2' B11' B3A C7' 32.2(4) . .
B2' B11' B3A C8' -3.5(8) . .
B2' B11' B3A B9' -65.3(9) . .
B2' B11' B3A B10' -102.0(4) . .
B3 N1 C14 Cs1 -81.1(4) . 2_666
B3 N1 C14 Cs2 74.0(4) . .
B3 N1 C14 O1 1.8(6) . .
B3 N1 C14 C15 -177.9(3) . .
B3 B1 B2 B6 -137.7(3) . .
B3 B1 B2 B11 -37.9(3) . .
B3 B1 B2 C7 -95.1(3) . .
B3 B1 B2 B9A -95.1(3) . .
B3 B1 B4 Cs1 -119.0(2) . .
B3 B1 B4 Cs1 -54.6(3) . 2_666
B3 B1 B4 B5 138.3(3) . .
B3 B1 B4 B10 35.0(3) . .
B3 B1 B4 B9 99.8(3) . .
B3 B1 B4 C7A 99.8(3) . .
B3 B1 B5 C8 59.5(4) . .
B3 B1 B5 B4 -37.4(3) . .
B3 B1 B5 B6 99.9(3) . .
B3 B1 B5 B9 1.7(4) . .
B3 B1 B5 C7A 1.7(4) . .
B3 B1 B6 C8 -61.0(3) . .
B3 B1 B6 B2 37.5(3) . .
B3 B1 B6 B5 -101.3(3) . .
B3 B1 B6 C7 -5.2(4) . .
B3 B1 B6 B9A -5.2(4) . .
B3 B2 B6 C8 60.3(4) . .
B3 B2 B6 B1 -38.3(3) . .
B3 B2 B6 B5 -1.4(4) . .
B3 B2 B6 C7 92.3(3) . .
B3 B2 B6 B9A 92.3(3) . .
B3 B2 B11 B10 -35.9(3) . .
B3 B2 B11 C7 -133.6(3) . .
B3 B2 B11 B9A -133.6(3) . .
B3 B2 C7 C8 -68.4(4) . .
B3 B2 C7 B6 -105.0(3) . .
B3 B2 C7 B11 39.3(3) . .
B3 B2 C7 C12 148.1(4) . .
B3 B2 B9A C8 -68.4(4) . .
B3 B2 B9A B6 -105.0(3) . .
B3 B2 B9A B11 39.3(3) . .
B3 B4 B5 C8 -63.6(3) . .
B3 B4 B5 B1 36.6(3) . .
B3 B4 B5 B6 -2.0(4) . .
B3 B4 B5 B9 -100.1(3) . .
B3 B4 B5 C7A -100.1(3) . .
B3 B4 B10 Cs1 -97.09(19) . 2_666
B3 B4 B10 B11 38.9(3) . .
B3 B4 B10 B9 133.7(3) . .
B3 B4 B10 C7A 133.7(3) . .
B3 B4 B9 C8 60.7(4) . .
B3 B4 B9 B5 99.7(3) . .
B3 B4 B9 B10 -40.6(3) . .
B3 B4 C7A C8 60.7(4) . .
B3 B4 C7A B5 99.7(3) . .
B3 B4 C7A B10 -40.6(3) . .
B3 B4 C7A C12A -150.6(11) . .
B3 B10 B11 B2 35.6(3) . .
B3 B10 B11 C7 100.4(3) . .
B3 B10 B11 B9A 100.4(3) . .
B3 B10 B9 C8 -56.3(4) . .
B3 B10 B9 B4 41.1(3) . .
B3 B10 B9 B5 6.2(4) . .
B3 B10 C7A C8 -56.3(4) . .
B3 B10 C7A B4 41.1(3) . .
B3 B10 C7A B5 6.2(4) . .
B3 B10 C7A C12A 152.3(11) . .
B3 B11 C7 C8 61.1(4) . .
B3 B11 C7 B2 -40.8(3) . .
B3 B11 C7 B6 -7.2(4) . .
B3 B11 C7 C12 -152.2(4) . .
B3 B11 B9A C8 61.1(4) . .
B3 B11 B9A B2 -40.8(3) . .
B3 B11 B9A B6 -7.2(4) . .
B4 B1 B2 B3 37.6(3) . .
B4 B1 B2 B6 -100.1(3) . .
B4 B1 B2 B11 -0.3(4) . .
B4 B1 B2 C7 -57.5(3) . .
B4 B1 B2 B9A -57.5(3) . .
B4 B1 B3 N1 111.4(4) . .
B4 B1 B3 B2 -138.0(3) . .
B4 B1 B3 B10 -34.9(3) . .
B4 B1 B3 B11 -99.1(3) . .
B4 B1 B5 C8 96.8(3) . .
B4 B1 B5 B6 137.3(3) . .
B4 B1 B5 B9 39.1(3) . .
B4 B1 B5 C7A 39.1(3) . .
B4 B1 B6 C8 2.4(4) . .
B4 B1 B6 B2 100.9(3) . .
B4 B1 B6 B5 -37.9(3) . .
B4 B1 B6 C7 58.2(3) . .
B4 B1 B6 B9A 58.2(3) . .
B4 B3 B10 Cs1 74.7(2) . 2_666
B4 B3 B10 B11 -135.2(3) . .
B4 B3 B10 B9 -40.6(3) . .
B4 B3 B10 C7A -40.6(3) . .
B4 B3 B11 B2 -101.6(3) . .
B4 B3 B11 B10 39.1(3) . .
B4 B3 B11 C7 -60.0(4) . .
B4 B3 B11 B9A -60.0(4) . .
B4 B5 B6 C8 -93.8(3) . .
B4 B5 B6 B1 39.3(3) . .
B4 B5 B6 B2 2.2(4) . .
B4 B5 B6 C7 -59.9(4) . .
B4 B5 B6 B9A -59.9(4) . .
B4 B5 B9 C8 135.1(3) . .
B4 B5 B9 B10 34.8(3) . .
B4 B5 C7A C8 135.1(3) . .
B4 B5 C7A B10 34.8(3) . .
B4 B5 C7A C12A -111.4(11) . .
B4 B10 B11 B2 -4.3(4) . .
B4 B10 B11 B3 -39.9(3) . .
B4 B10 B11 C7 60.5(4) . .
B4 B10 B11 B9A 60.5(4) . .
B4 B10 B9 C8 -97.5(3) . .
B4 B10 B9 B5 -34.9(3) . .
B4 B10 C7A C8 -97.5(3) . .
B4 B10 C7A B5 -34.9(3) . .
B4 B10 C7A C12A 111.1(11) . .
B4' C8' B9' Cs2 77.1(2) . .
B4' C8' B9' B5' -39.8(3) . .
B4' C8' B9' B10' -103.1(3) . .
B4' C8' B9' B3A -141.3(6) . .
B4' C8' B3' C7' 139.8(3) . .
B4' C8' B3' B1' 41.1(4) . .
B4' C8' B3' B2' 103.5(4) . .
B4' C8' B3A C7' -102.0(5) . .
B4' C8' B3A B9' 39.7(5) . .
B4' C8' B3A B10' 1.3(9) . .
B4' C8' B3A B11' -64.9(9) . .
B4' B1' B2' C7' -3.4(4) . .
B4' B1' B2' B6' -99.6(4) . .
B4' B1' B2' B11' -62.5(4) . .
B4' B1' B2' B3' 35.0(4) . .
B4' B1' B5' N1' -116.9(4) . .
B4' B1' B5' B6' 136.6(3) . .
B4' B1' B5' B9' 38.7(3) . .
B4' B1' B5' B10' 102.8(3) . .
B4' B1' B6' Cs2 -179.6(3) . 1_455
B4' B1' B6' B2' 99.4(3) . .
B4' B1' B6' B5' -37.6(3) . .
B4' B1' B6' B10' -3.1(4) . .
B4' B1' B6' B11' 61.4(4) . .
B4' B1' B3' C7' -100.4(5) . .
B4' B1' B3' C8' -40.8(4) . .
B4' B1' B3' B2' -139.6(4) . .
B4' B5' B6' Cs2 91.7(3) . 1_455
B4' B5' B6' B1' 38.6(3) . .
B4' B5' B6' B2' 0.3(4) . .
B4' B5' B6' B10' -103.5(3) . .
B4' B5' B6' B11' -64.1(4) . .
B4' B5' B9' Cs2 -78.0(3) . .
B4' B5' B9' C8' 39.4(3) . .
B4' B5' B9' B10' 139.2(4) . .
B4' B5' B9' B3A 98.7(6) . .
B4' B5' B10' Cs2 -148.1(3) . 2_667
B4' B5' B10' B6' 98.2(4) . .
B4' B5' B10' B9' -37.7(3) . .
B4' B5' B10' B11' 59.0(4) . .
B4' B5' B10' B3A 2.1(6) . .
B4' B9' B10' Cs2 118.6(3) . 2_667
B4' B9' B10' B5' 36.3(3) . .
B4' B9' B10' B6' -3.1(4) . .
B4' B9' B10' B11' -65.3(4) . .
B4' B9' B10' B3A -97.9(6) . .
B4' B9' B3A C7' -0.3(8) . .
B4' B9' B3A C8' -33.5(4) . .
B4' B9' B3A B10' 102.9(4) . .
B4' B9' B3A B11' 65.1(9) . .
B5 C8 B6 B1 -40.6(3) . .
B5 C8 B6 B2 -103.0(3) . .
B5 C8 B6 C7 -137.6(3) . .
B5 C8 B6 B9A -137.6(3) . .
B5 C8 C7 B2 4.0(4) . .
B5 C8 C7 B6 39.9(3) . .
B5 C8 C7 B11 -65.4(4) . .
B5 C8 C7 C12 148.0(4) . .
B5 C8 B9 B4 38.8(3) . .
B5 C8 B9 B10 100.1(3) . .
B5 C8 C7A B4 38.8(3) . .
B5 C8 C7A B10 100.1(3) . .
B5 C8 C7A C12A -109.3(11) . .
B5 C8 B9A B2 4.0(4) . .
B5 C8 B9A B6 39.9(3) . .
B5 C8 B9A B11 -65.4(4) . .
B5 B1 B2 B3 100.8(3) . .
B5 B1 B2 B6 -36.9(3) . .
B5 B1 B2 B11 62.9(4) . .
B5 B1 B2 C7 5.7(4) . .
B5 B1 B2 B9A 5.7(4) . .
B5 B1 B3 N1 148.6(4) . .
B5 B1 B3 B2 -100.8(3) . .
B5 B1 B3 B4 37.2(3) . .
B5 B1 B3 B10 2.3(4) . .
B5 B1 B3 B11 -61.9(4) . .
B5 B1 B4 Cs1 102.7(2) . .
B5 B1 B4 Cs1 167.1(4) . 2_666
B5 B1 B4 B3 -138.3(3) . .
B5 B1 B4 B10 -103.4(3) . .
B5 B1 B4 B9 -38.6(3) . .
B5 B1 B4 C7A -38.6(3) . .
B5 B1 B6 C8 40.3(3) . .
B5 B1 B6 B2 138.7(3) . .
B5 B1 B6 C7 96.1(3) . .
B5 B1 B6 B9A 96.1(3) . .
B5 B4 B10 Cs1 165.7(3) . 2_666
B5 B4 B10 B3 -97.2(3) . .
B5 B4 B10 B11 -58.4(3) . .
B5 B4 B10 B9 36.5(3) . .
B5 B4 B10 C7A 36.5(3) . .
B5 B4 B9 C8 -39.1(3) . .
B5 B4 B9 B10 -140.4(3) . .
B5 B4 C7A C8 -39.1(3) . .
B5 B4 C7A B10 -140.4(3) . .
B5 B4 C7A C12A 109.7(11) . .
B5 B6 C7 C8 -36.3(3) . .
B5 B6 C7 B2 104.3(3) . .
B5 B6 C7 B11 69.4(4) . .
B5 B6 C7 C12 -145.5(4) . .
B5 B6 B9A C8 -36.3(3) . .
B5 B6 B9A B2 104.3(3) . .
B5 B6 B9A B11 69.4(4) . .
B5' N1' C14' Cs1 -64.0(4) . .
B5' N1' C14' O1' -0.9(6) . .
B5' N1' C14' C15' 178.9(3) . .
B5' B1' B2' C7' 57.8(4) . .
B5' B1' B2' B6' -38.4(3) . .
B5' B1' B2' B11' -1.3(4) . .
B5' B1' B2' B3' 96.2(4) . .
B5' B1' B4' Cs1 94.7(2) . .
B5' B1' B4' C8' -96.7(3) . .
B5' B1' B4' B9' -37.4(3) . .
B5' B1' B4' B3' -135.9(4) . .
B5' B1' B6' Cs2 -142.0(2) . 1_455
B5' B1' B6' B2' 137.0(3) . .
B5' B1' B6' B10' 34.5(3) . .
B5' B1' B6' B11' 98.9(3) . .
B5' B1' B3' C7' -62.7(5) . .
B5' B1' B3' C8' -3.2(5) . .
B5' B1' B3' B2' -101.9(4) . .
B5' B1' B3' B4' 37.7(3) . .
B5' B4' B9' Cs2 112.8(2) . .
B5' B4' B9' C8' -133.5(3) . .
B5' B4' B9' B10' -37.2(3) . .
B5' B4' B9' B3A -100.4(6) . .
B5' B4' B3' C7' 58.2(5) . .
B5' B4' B3' C8' 92.7(4) . .
B5' B4' B3' B1' -40.3(3) . .
B5' B4' B3' B2' -3.8(5) . .
B5' B6' B10' Cs2 -81.4(2) . 2_667
B5' B6' B10' B9' 38.3(3) . .
B5' B6' B10' B11' 135.6(3) . .
B5' B6' B10' B3A 100.0(5) . .
B5' B6' B11' C7' 61.9(4) . .
B5' B6' B11' B2' 100.9(3) . .
B5' B6' B11' B10' -39.3(3) . .
B5' B6' B11' B3A 1.4(7) . .
B5' B9' B10' Cs2 82.3(2) . 2_667
B5' B9' B10' B6' -39.4(3) . .
B5' B9' B10' B11' -101.6(3) . .
B5' B9' B10' B3A -134.1(6) . .
B5' B9' B3A C7' -62.1(8) . .
B5' B9' B3A C8' -95.4(4) . .
B5' B9' B3A B10' 41.0(5) . .
B5' B9' B3A B11' 3.2(10) . .
B5' B10' B11' C7' -56.4(4) . .
B5' B10' B11' B2' 4.5(4) . .
B5' B10' B11' B6' 39.8(3) . .
B5' B10' B11' B3A -95.8(6) . .
B5' B10' B3A C7' 59.1(8) . .
B5' B10' B3A C8' -2.0(8) . .
B5' B10' B3A B9' -39.3(4) . .
B5' B10' B3A B11' 101.0(4) . .
B6 C8 B5 B1 41.0(3) . .
B6 C8 B5 B4 104.9(3) . .
B6 C8 B5 B9 144.0(3) . .
B6 C8 B5 C7A 144.0(3) . .
B6 C8 C7 B2 -36.0(3) . .
B6 C8 C7 B11 -105.3(4) . .
B6 C8 C7 C12 108.1(5) . .
B6 C8 B9 B4 3.4(4) . .
B6 C8 B9 B5 -35.4(3) . .
B6 C8 B9 B10 64.7(4) . .
B6 C8 C7A B4 3.4(4) . .
B6 C8 C7A B5 -35.4(3) . .
B6 C8 C7A B10 64.7(4) . .
B6 C8 C7A C12A -144.7(11) . .
B6 C8 B9A B2 -36.0(3) . .
B6 C8 B9A B11 -105.3(4) . .
B6 B1 B2 B3 137.7(3) . .
B6 B1 B2 B11 99.8(3) . .
B6 B1 B2 C7 42.6(3) . .
B6 B1 B2 B9A 42.6(3) . .
B6 B1 B3 N1 -148.1(3) . .
B6 B1 B3 B2 -37.5(3) . .
B6 B1 B3 B4 100.5(3) . .
B6 B1 B3 B10 65.6(4) . .
B6 B1 B3 B11 1.4(4) . .
B6 B1 B4 Cs1 -155.0(3) . 2_666
B6 B1 B4 Cs1 140.6(3) . .
B6 B1 B4 B3 -100.4(3) . .
B6 B1 B4 B5 37.9(3) . .
B6 B1 B4 B10 -65.4(4) . .
B6 B1 B4 B9 -0.6(4) . .
B6 B1 B4 C7A -0.6(4) . .
B6 B1 B5 C8 -40.5(3) . .
B6 B1 B5 B4 -137.3(3) . .
B6 B1 B5 B9 -98.2(4) . .
B6 B1 B5 C7A -98.2(4) . .
B6 B2 B3 N1 152.5(3) . .
B6 B2 B3 B1 37.8(3) . .
B6 B2 B3 B4 0.2(4) . .
B6 B2 B3 B10 -62.9(4) . .
B6 B2 B3 B11 -99.0(3) . .
B6 B2 B11 B3 101.7(3) . .
B6 B2 B11 B10 65.8(4) . .
B6 B2 B11 C7 -31.9(3) . .
B6 B2 B11 B9A -31.9(3) . .
B6 B2 C7 C8 36.6(3) . .
B6 B2 C7 B11 144.3(3) . .
B6 B2 C7 C12 -106.9(5) . .
B6 B2 B9A C8 36.6(3) . .
B6 B2 B9A B11 144.3(3) . .
B6 B5 B9 C8 31.8(3) . .
B6 B5 B9 B4 -103.3(3) . .
B6 B5 B9 B10 -68.6(4) . .
B6 B5 C7A C8 31.8(3) . .
B6 B5 C7A B4 -103.3(3) . .
B6 B5 C7A B10 -68.6(4) . .
B6 B5 C7A C12A 145.3(11) . .
B6' B1' B2' C7' 96.2(3) . .
B6' B1' B2' B11' 37.2(3) . .
B6' B1' B2' B3' 134.6(4) . .
B6' B1' B4' Cs1 133.3(3) . .
B6' B1' B4' C8' -58.0(4) . .
B6' B1' B4' B5' 38.6(3) . .
B6' B1' B4' B9' 1.2(4) . .
B6' B1' B4' B3' -97.2(4) . .
B6' B1' B5' N1' 106.5(4) . .
B6' B1' B5' B4' -136.6(3) . .
B6' B1' B5' B9' -97.8(3) . .
B6' B1' B5' B10' -33.8(3) . .
B6' B1' B3' C7' 0.0(6) . .
B6' B1' B3' C8' 59.6(5) . .
B6' B1' B3' B2' -39.2(4) . .
B6' B1' B3' B4' 100.4(4) . .
B6' B2' B11' C7' 133.8(4) . .
B6' B2' B11' B10' 35.6(3) . .
B6' B2' B11' B3A 101.5(6) . .
B6' B2' B3' C7' -94.0(4) . .
B6' B2' B3' C8' -58.5(5) . .
B6' B2' B3' B1' 40.5(3) . .
B6' B2' B3' B4' 4.0(5) . .
B6' B5' B9' Cs2 -178.8(2) . .
B6' B5' B9' C8' -61.5(4) . .
B6' B5' B9' B4' -100.9(3) . .
B6' B5' B9' B10' 38.4(3) . .
B6' B5' B9' B3A -2.1(6) . .
B6' B5' B10' Cs2 113.7(2) . 2_667
B6' B5' B10' B9' -135.9(3) . .
B6' B5' B10' B11' -39.3(3) . .
B6' B5' B10' B3A -96.1(5) . .
B6' B10' B11' C7' -96.3(3) . .
B6' B10' B11' B2' -35.3(3) . .
B6' B10' B11' B3A -135.6(6) . .
B6' B10' B3A C7' -3.7(8) . .
B6' B10' B3A C8' -64.8(7) . .
B6' B10' B3A B9' -102.1(4) . .
B6' B10' B3A B11' 38.2(4) . .
B6' B11' B3A C7' 94.7(4) . .
B6' B11' B3A C8' 58.9(8) . .
B6' B11' B3A B9' -2.9(10) . .
B6' B11' B3A B10' -39.5(5) . .
B9' C8' B4' Cs1 -105.3(7) . .
B9' C8' B4' B1' 103.0(3) . .
B9' C8' B4' B5' 39.7(3) . .
B9' C8' B4' B3' 144.5(4) . .
B9' C8' B3' C7' 103.2(4) . .
B9' C8' B3' B1' 4.5(6) . .
B9' C8' B3' B2' 67.0(5) . .
B9' C8' B3' B4' -36.6(4) . .
B9' C8' B3A C7' -141.8(5) . .
B9' C8' B3A B10' -38.4(5) . .
B9' C8' B3A B11' -104.6(7) . .
B9' B4' B5' N1' -114.9(4) . .
B9' B4' B5' B1' 137.9(3) . .
B9' B4' B5' B6' 99.6(3) . .
B9' B4' B5' B10' 37.1(3) . .
B9' B4' B3' C7' -4.2(5) . .
B9' B4' B3' C8' 30.3(3) . .
B9' B4' B3' B1' -102.7(3) . .
B9' B4' B3' B2' -66.2(5) . .
B9' B5' B6' Cs2 156.3(2) . 1_455
B9' B5' B6' B1' 103.2(3) . .
B9' B5' B6' B2' 64.9(4) . .
B9' B5' B6' B10' -38.9(3) . .
B9' B5' B6' B11' 0.5(4) . .
B9' B5' B10' Cs2 -110.4(3) . 2_667
B9' B5' B10' B6' 135.9(3) . .
B9' B5' B10' B11' 96.7(3) . .
B9' B5' B10' B3A 39.8(5) . .
B9' B10' B11' C7' 4.7(4) . .
B9' B10' B11' B2' 65.6(4) . .
B9' B10' B11' B6' 100.9(3) . .
B9' B10' B11' B3A -34.7(5) . .
B9' B10' B3A C7' 98.4(7) . .
B9' B10' B3A C8' 37.3(5) . .
B9' B10' B3A B11' 140.3(6) . .
B10 B3 B4 Cs1 -155.8(3) . .
B10 B3 B4 Cs1 -75.1(2) . 2_666
B10 B3 B4 B1 141.1(3) . .
B10 B3 B4 B5 105.0(3) . .
B10 B3 B4 B9 41.5(3) . .
B10 B3 B4 C7A 41.5(3) . .
B10 B3 B11 B2 -140.7(3) . .
B10 B3 B11 C7 -99.2(3) . .
B10 B3 B11 B9A -99.2(3) . .
B10 B4 B5 C8 -0.4(4) . .
B10 B4 B5 B1 99.8(3) . .
B10 B4 B5 B6 61.2(4) . .
B10 B4 B5 B9 -36.8(3) . .
B10 B4 B5 C7A -36.8(3) . .
B10 B4 B9 C8 101.3(3) . .
B10 B4 B9 B5 140.4(3) . .
B10 B4 C7A C8 101.3(3) . .
B10 B4 C7A B5 140.4(3) . .
B10 B4 C7A C12A -109.9(11) . .
B10 B11 C7 C8 -2.3(4) . .
B10 B11 C7 B2 -104.3(3) . .
B10 B11 C7 B6 -70.6(4) . .
B10 B11 C7 C12 144.4(4) . .
B10 B11 B9A C8 -2.3(4) . .
B10 B11 B9A B2 -104.3(3) . .
B10 B11 B9A B6 -70.6(4) . .
B10' B5' B6' Cs2 -164.7(3) . 1_455
B10' B5' B6' B1' 142.1(3) . .
B10' B5' B6' B2' 103.9(3) . .
B10' B5' B6' B11' 39.5(3) . .
B10' B5' B9' Cs2 142.8(3) . .
B10' B5' B9' C8' -99.9(3) . .
B10' B5' B9' B4' -139.2(4) . .
B10' B5' B9' B3A -40.5(6) . .
B10' B6' B11' C7' 101.2(4) . .
B10' B6' B11' B2' 140.2(3) . .
B10' B6' B11' B3A 40.7(6) . .
B10' B9' B3A C7' -103.1(7) . .
B10' B9' B3A C8' -136.4(5) . .
B10' B9' B3A B11' -37.8(6) . .
B10' B11' B3A C7' 134.2(5) . .
B10' B11' B3A C8' 98.4(7) . .
B10' B11' B3A B9' 36.6(6) . .
B11 B2 B3 N1 -108.5(4) . .
B11 B2 B3 B1 136.8(3) . .
B11 B2 B3 B4 99.2(3) . .
B11 B2 B3 B10 36.1(3) . .
B11 B2 B6 C8 -1.9(4) . .
B11 B2 B6 B1 -100.5(3) . .
B11 B2 B6 B5 -63.7(4) . .
B11 B2 B6 C7 30.0(3) . .
B11 B2 B6 B9A 30.0(3) . .
B11 B2 C7 C8 -107.6(4) . .
B11 B2 C7 B6 -144.3(3) . .
B11 B2 C7 C12 108.9(5) . .
B11 B2 B9A C8 -107.6(4) . .
B11 B2 B9A B6 -144.3(3) . .
B11 B3 B4 Cs1 164.5(2) . .
B11 B3 B4 Cs1 -114.8(2) . 2_666
B11 B3 B4 B1 101.4(3) . .
B11 B3 B4 B5 65.3(3) . .
B11 B3 B4 B10 -39.7(3) . .
B11 B3 B4 B9 1.8(4) . .
B11 B3 B4 C7A 1.8(4) . .
B11 B3 B10 Cs1 -150.1(2) . 2_666
B11 B3 B10 B4 135.2(3) . .
B11 B3 B10 B9 94.6(3) . .
B11 B3 B10 C7A 94.6(3) . .
B11 B10 B9 C8 4.4(4) . .
B11 B10 B9 B4 101.9(3) . .
B11 B10 B9 B5 67.0(4) . .
B11 B10 C7A C8 4.4(4) . .
B11 B10 C7A B4 101.9(3) . .
B11 B10 C7A B5 67.0(4) . .
B11 B10 C7A C12A -147.0(11) . .
B11' C7' C8' C13' -143.2(4) . .
B11' C7' C8' B4' 72.0(4) . .
B11' C7' C8' B9' 0.4(4) . .
B11' C7' C8' B3' 110.9(4) . .
B11' C7' C8' B3A -37.3(5) . .
B11' C7' B2' B1' -102.3(4) . .
B11' C7' B2' B6' -39.7(3) . .
B11' C7' B2' B3' -142.5(4) . .
B11' C7' B3' C8' -99.4(4) . .
B11' C7' B3' B1' -1.0(7) . .
B11' C7' B3' B2' 38.8(4) . .
B11' C7' B3' B4' -63.9(6) . .
B11' C7' B3A C8' 139.3(5) . .
B11' C7' B3A B9' 106.2(7) . .
B11' C7' B3A B10' 42.6(6) . .
B11' B2' B6' Cs2 131.0(2) . 1_455
B11' B2' B6' B1' -138.3(4) . .
B11' B2' B6' B5' -100.2(3) . .
B11' B2' B6' B10' -36.4(3) . .
B11' B2' B3' C7' -31.7(3) . .
B11' B2' B3' C8' 3.8(5) . .
B11' B2' B3' B1' 102.9(4) . .
B11' B2' B3' B4' 66.3(5) . .
B11' B6' B10' Cs2 143.0(3) . 2_667
B11' B6' B10' B5' -135.6(3) . .
B11' B6' B10' B9' -97.4(3) . .
B11' B6' B10' B3A -35.6(5) . .
B11' B10' B3A C7' -41.9(5) . .
B11' B10' B3A C8' -103.0(8) . .
B11' B10' B3A B9' -140.3(6) . .
C7 C8 B5 B1 -0.1(4) . .
C7 C8 B5 B4 63.8(4) . .
C7 C8 B5 B6 -41.2(3) . .
C7 C8 B5 B9 102.8(3) . .
C7 C8 B6 B1 97.0(3) . .
C7 C8 B6 B2 34.5(3) . .
C7 C8 B6 B5 137.6(3) . .
C7 C8 B9 B4 -67.3(4) . .
C7 C8 B9 B5 -106.1(3) . .
C7 C8 B9 B10 -6.0(4) . .
C7 B2 B3 N1 -145.8(3) . .
C7 B2 B3 B1 99.6(3) . .
C7 B2 B3 B4 61.9(3) . .
C7 B2 B3 B10 -1.2(4) . .
C7 B2 B3 B11 -37.2(3) . .
C7 B2 B6 C8 -31.9(3) . .
C7 B2 B6 B1 -130.5(3) . .
C7 B2 B6 B5 -93.7(3) . .
C7 B2 B11 B3 133.6(3) . .
C7 B2 B11 B10 97.7(3) . .
B3' C7' C8' C13' 105.8(5) . .
B3' C7' C8' B4' -38.9(4) . .
B3' C7' C8' B9' -110.5(4) . .
B3' C7' B2' B1' 40.2(4) . .
B3' C7' B2' B6' 102.8(4) . .
B3' C7' B2' B11' 142.5(4) . .
B3' C7' B11' B2' -38.1(5) . .
B3' C7' B11' B6' 1.5(6) . .
B3' C7' B11' B10' 63.5(5) . .
B3' C8' B4' Cs1 110.2(8) . .
B3' C8' B4' B1' -41.6(4) . .
B3' C8' B4' B5' -104.8(4) . .
B3' C8' B4' B9' -144.5(4) . .
B3' C8' B9' Cs2 113.1(4) . .
B3' C8' B9' B4' 36.0(4) . .
B3' C8' B9' B5' -3.8(5) . .
B3' C8' B9' B10' -67.0(5) . .
B3' B1' B2' C7' -38.4(4) . .
B3' B1' B2' B6' -134.6(4) . .
B3' B1' B2' B11' -97.5(4) . .
B3' B1' B4' Cs1 -129.4(3) . .
B3' B1' B4' C8' 39.2(3) . .
B3' B1' B4' B5' 135.9(4) . .
B3' B1' B4' B9' 98.4(4) . .
B3' B1' B5' N1' -154.5(4) . .
B3' B1' B5' B4' -37.5(3) . .
B3' B1' B5' B6' 99.0(4) . .
B3' B1' B5' B9' 1.2(5) . .
B3' B1' B5' B10' 65.2(4) . .
B3' B1' B6' Cs2 119.9(4) . 1_455
B3' B1' B6' B2' 38.9(4) . .
B3' B1' B6' B5' -98.1(4) . .
B3' B1' B6' B10' -63.6(5) . .
B3' B1' B6' B11' 0.9(5) . .
B3' B2' B6' Cs2 -131.5(3) . 1_455
B3' B2' B6' B1' -40.8(4) . .
B3' B2' B6' B5' -2.6(4) . .
B3' B2' B6' B10' 61.1(4) . .
B3' B2' B6' B11' 97.5(4) . .
B3' B2' B11' C7' 32.1(4) . .
B3' B2' B11' B6' -101.7(4) . .
B3' B2' B11' B10' -66.1(4) . .
B3' B4' B5' N1' 147.7(4) . .
B3' B4' B5' B1' 40.4(4) . .
B3' B4' B5' B6' 2.1(4) . .
B3' B4' B5' B9' -97.4(4) . .
B3' B4' B5' B10' -60.3(5) . .
B3' B4' B9' Cs2 -144.1(3) . .
B3' B4' B9' C8' -30.4(3) . .
B3' B4' B9' B5' 103.1(4) . .
B3' B4' B9' B10' 65.9(4) . .
B9 C8 B5 B1 -102.9(3) . .
B9 C8 B5 B4 -39.0(3) . .
B9 C8 B5 B6 -144.0(3) . .
B9 C8 B6 B1 -3.8(4) . .
B9 C8 B6 B2 -66.3(4) . .
B9 C8 B6 B5 36.8(3) . .
B9 C8 B6 C7 -100.8(4) . .
B9 C8 C7 B2 74.8(4) . .
B9 C8 C7 B6 110.8(3) . .
B9 C8 C7 B11 5.4(4) . .
B9 C8 C7 C12 -141.2(4) . .
B9 B4 B5 C8 36.5(3) . .
B9 B4 B5 B1 136.7(3) . .
B9 B4 B5 B6 98.0(4) . .
B9 B4 B10 Cs1 129.2(2) . 2_666
B9 B4 B10 B3 -133.7(3) . .
B9 B4 B10 B11 -94.9(3) . .
B9 B5 B6 C8 -30.2(3) . .
B9 B5 B6 B1 102.9(3) . .
B9 B5 B6 B2 65.8(4) . .
B9 B5 B6 C7 3.7(4) . .
B9 B10 B11 B2 -66.1(4) . .
B9 B10 B11 B3 -101.7(3) . .
B9 B10 B11 C7 -1.4(4) . .
C7A C8 B5 B1 -102.9(3) . .
C7A C8 B5 B4 -39.0(3) . .
C7A C8 B5 B6 -144.0(3) . .
C7A C8 B6 B1 -3.8(4) . .
C7A C8 B6 B2 -66.3(4) . .
C7A C8 B6 B5 36.8(3) . .
C7A C8 B6 B9A -100.8(4) . .
C7A C8 B9A B2 74.8(4) . .
C7A C8 B9A B6 110.8(3) . .
C7A C8 B9A B11 5.4(4) . .
C7A B4 B5 C8 36.5(3) . .
C7A B4 B5 B1 136.7(3) . .
C7A B4 B5 B6 98.0(4) . .
C7A B4 B10 Cs1 129.2(2) . 2_666
C7A B4 B10 B3 -133.7(3) . .
C7A B4 B10 B11 -94.9(3) . .
C7A B5 B6 C8 -30.2(3) . .
C7A B5 B6 B1 102.9(3) . .
C7A B5 B6 B2 65.8(4) . .
C7A B5 B6 B9A 3.7(4) . .
C7A B10 B11 B2 -66.1(4) . .
C7A B10 B11 B3 -101.7(3) . .
C7A B10 B11 B9A -1.4(4) . .
B3A C7' C8' C13' -105.9(6) . .
B3A C7' C8' B4' 109.3(6) . .
B3A C7' C8' B9' 37.7(5) . .
B3A C7' B2' B1' -67.0(6) . .
B3A C7' B2' B6' -4.4(7) . .
B3A C7' B2' B11' 35.3(6) . .
B3A C7' B11' B2' -143.1(5) . .
B3A C7' B11' B6' -103.5(5) . .
B3A C7' B11' B10' -41.5(5) . .
B3A C8' B4' Cs1 -145.0(7) . .
B3A C8' B4' B1' 63.2(7) . .
B3A C8' B4' B5' 0.0(7) . .
B3A C8' B4' B9' -39.7(6) . .
B3A C8' B9' Cs2 -141.6(5) . .
B3A C8' B9' B4' 141.3(6) . .
B3A C8' B9' B5' 101.5(6) . .
B3A C8' B9' B10' 38.2(5) . .
B3A B9' B10' Cs2 -143.6(5) . 2_667
B3A B9' B10' B5' 134.1(6) . .
B3A B9' B10' B6' 94.8(5) . .
B3A B9' B10' B11' 32.5(5) . .
B3A B10' B11' C7' 39.4(5) . .
B3A B10' B11' B2' 100.3(6) . .
B3A B10' B11' B6' 135.6(6) . .
B9A C8 B5 B1 -0.1(4) . .
B9A C8 B5 B4 63.8(4) . .
B9A C8 B5 B6 -41.2(3) . .
B9A C8 B5 C7A 102.8(3) . .
B9A C8 B6 B1 97.0(3) . .
B9A C8 B6 B2 34.5(3) . .
B9A C8 B6 B5 137.6(3) . .
B9A C8 C7A B4 -67.3(4) . .
B9A C8 C7A B5 -106.1(3) . .
B9A C8 C7A B10 -6.0(4) . .
B9A C8 C7A C12A 144.6(11) . .
B9A B2 B3 N1 -145.8(3) . .
B9A B2 B3 B1 99.6(3) . .
B9A B2 B3 B4 61.9(3) . .
B9A B2 B3 B10 -1.2(4) . .
B9A B2 B3 B11 -37.2(3) . .
B9A B2 B6 C8 -31.9(3) . .
B9A B2 B6 B1 -130.5(3) . .
B9A B2 B6 B5 -93.7(3) . .
B9A B2 B11 B3 133.6(3) . .
B9A B2 B11 B10 97.7(3) . .
