#------------------------------------------------------------------------------
#$Date: 2021-12-03 22:43:58 +0200 (Fri, 03 Dec 2021) $
#$Revision: 271026 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/91/4519149.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_4519149
loop_
_publ_author_name
'Cao, Hou-ji'
'Chen, Meng'
'Sun, Fangxiang'
'Zhao, Yue'
'Lu, Changsheng'
'Zhang, Xiaolei'
'Shi, Zhuangzhi'
'Yan, Hong'
_publ_section_title
;
 Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed
 B--H Poly-arylation of Carboranes
;
_journal_issue                   22
_journal_name_full               'ACS Catalysis'
_journal_page_first              14047
_journal_page_last               14057
_journal_paper_doi               10.1021/acscatal.1c04473
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C35 H36 B10 O9'
_chemical_formula_sum            'C35 H36 B10 O9'
_chemical_formula_weight         708.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2020-11-21
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 116.232(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.445(12)
_cell_length_b                   8.524(5)
_cell_length_c                   20.897(11)
_cell_measurement_reflns_used    3222
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.85
_cell_measurement_theta_min      2.59
_cell_volume                     3586(3)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1265
_diffrn_reflns_av_unetI/netI     0.1219
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            30784
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         1.011
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.3162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1797 before and 0.0887 after correction. The Ratio of minimum to maximum transmission is 0.4241. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         8077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1724
_refine_ls_R_factor_gt           0.0882
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2678
_refine_ls_wR_factor_ref         0.3467
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3912
_reflns_number_total             8077
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs1c04473_si_002.cif
_cod_data_source_block           8
_cod_database_code               4519149
_shelx_shelxl_version_number     2016/6
_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   0.994
_shelx_estimated_absorpt_t_min   0.992
_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.a Riding coordinates:
 C12(H12), B6(H6), B7(H7A), B8(H8A), B9(H9), B10(H10), B11(H11)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C7(H7), C8(H8), C15(H15), C16(H16), C18(H18),
 C19(H19), C21(H21), C22(H22), C24(H24), C25(H25), C29(H29), C30(H30), C32(H32),
  C33(H33)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C27(H27A,H27B,H27C), C35(H35A,H35B,
 H35C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.18833(15) -0.3060(4) 0.91789(17) 0.0600(8) Uani 1 1 d . . . . .
O2 O 0.00417(14) -0.5378(5) 1.14654(17) 0.0717(10) Uani 1 1 d . . . . .
O3 O 0.09882(14) -0.4381(4) 1.23020(16) 0.0695(10) Uani 1 1 d . . . . .
O4 O 0.46908(19) -0.1383(8) 1.2988(3) 0.137(2) Uani 1 1 d . . . . .
O5 O 0.3749(2) 0.0081(6) 1.2429(2) 0.1010(15) Uani 1 1 d . . . . .
O6 O 0.40476(18) 0.0296(4) 0.8304(2) 0.0787(10) Uani 1 1 d . . . . .
O7 O 0.49709(19) -0.0656(6) 0.9142(4) 0.148(3) Uani 1 1 d . . . . .
O8 O 0.03126(16) -0.3392(6) 0.56926(19) 0.0879(12) Uani 1 1 d . . . . .
O9 O 0.11671(14) -0.4098(4) 0.55015(17) 0.0617(9) Uani 1 1 d . . . . .
C1 C 0.21877(16) -0.5749(4) 0.94732(19) 0.0377(8) Uani 1 1 d . . . . .
C2 C 0.17390(18) -0.4328(5) 0.92830(19) 0.0446(9) Uani 1 1 d . . . . .
H2 H 0.131379 -0.446778 0.924524 0.054 Uiso 1 1 calc R . . . .
C3 C 0.17586(17) -0.6442(5) 1.05664(19) 0.0415(8) Uani 1 1 d . . . . .
C4 C 0.20766(18) -0.5884(5) 1.1270(2) 0.0514(10) Uani 1 1 d . . . . .
H4 H 0.253748 -0.581203 1.149659 0.062 Uiso 1 1 calc R . . . .
C5 C 0.17159(18) -0.5439(6) 1.1631(2) 0.0536(11) Uani 1 1 d . . . . .
H5 H 0.193719 -0.506260 1.209535 0.064 Uiso 1 1 calc R . . . .
C6 C 0.10330(18) -0.5544(5) 1.1313(2) 0.0475(10) Uani 1 1 d . . . . .
C7 C 0.07149(18) -0.6123(6) 1.0627(2) 0.0548(11) Uani 1 1 d . . . . .
H7 H 0.025511 -0.622676 1.041077 0.066 Uiso 1 1 calc R . . . .
C8 C 0.10679(18) -0.6549(6) 1.0259(2) 0.0522(11) Uani 1 1 d . . . . .
H8 H 0.084053 -0.691667 0.979439 0.063 Uiso 1 1 calc R . . . .
C9 C 0.06258(18) -0.5105(6) 1.1687(2) 0.0537(11) Uani 1 1 d . . . . .
C10 C 0.0641(2) -0.3971(9) 1.2719(3) 0.0893(19) Uani 1 1 d . . . . .
H10A H 0.031010 -0.319143 1.246947 0.134 Uiso 1 1 calc GR . . . .
H10B H 0.095102 -0.356040 1.317227 0.134 Uiso 1 1 calc GR . . . .
H10C H 0.043021 -0.488806 1.279190 0.134 Uiso 1 1 calc GR . . . .
C11 C 0.4037(4) 0.1293(12) 1.2968(5) 0.170(5) Uani 1 1 d . . . . .
H11A H 0.383277 0.228316 1.277566 0.256 Uiso 1 1 calc GR . . . .
H11B H 0.450569 0.135870 1.311116 0.256 Uiso 1 1 calc GR . . . .
H11C H 0.396267 0.103726 1.337478 0.256 Uiso 1 1 calc GR . . . .
C12 C 0.2941(2) -0.8866(5) 0.9786(2) 0.0552(11) Uani 1 1 d . . . . .
H12 H 0.321301 -0.998254 0.990058 0.066 Uiso 1 1 d R . . . .
C13 C 0.4136(3) -0.1194(9) 1.2497(3) 0.090(2) Uani 1 1 d . . . . .
C14 C 0.3800(2) -0.2319(6) 1.1915(2) 0.0566(12) Uani 1 1 d . . . . .
C15 C 0.3162(2) -0.2085(5) 1.1373(2) 0.0633(12) Uani 1 1 d . . . . .
H15 H 0.292828 -0.118015 1.136868 0.076 Uiso 1 1 calc R . . . .
C16 C 0.2881(2) -0.3172(5) 1.0853(2) 0.0583(11) Uani 1 1 d . . . . .
H16 H 0.245032 -0.300590 1.050258 0.070 Uiso 1 1 calc R . . . .
C17 C 0.32110(17) -0.4526(4) 1.0825(2) 0.0413(9) Uani 1 1 d . . . . .
C18 C 0.38500(18) -0.4732(6) 1.1366(2) 0.0548(11) Uani 1 1 d . . . . .
H18 H 0.408988 -0.562311 1.136711 0.066 Uiso 1 1 calc R . . . .
C19 C 0.4132(2) -0.3633(7) 1.1900(2) 0.0668(14) Uani 1 1 d . . . . .
H19 H 0.456017 -0.379721 1.225652 0.080 Uiso 1 1 calc R . . . .
C20 C 0.32770(19) -0.4315(5) 0.9235(2) 0.0515(10) Uani 1 1 d . . . . .
C21 C 0.2960(2) -0.3228(5) 0.8702(2) 0.0521(10) Uani 1 1 d . . . . .
H21 H 0.250299 -0.330233 0.842912 0.062 Uiso 1 1 calc R . . . .
C22 C 0.3301(2) -0.2032(5) 0.8561(2) 0.0570(11) Uani 1 1 d . . . . .
H22 H 0.306960 -0.130252 0.820677 0.068 Uiso 1 1 calc R . . . .
C23 C 0.3982(2) -0.1910(6) 0.8942(3) 0.0710(14) Uani 1 1 d . . . . .
C24 C 0.4312(2) -0.2971(7) 0.9492(4) 0.097(2) Uani 1 1 d . . . . .
H24 H 0.476965 -0.289310 0.976337 0.116 Uiso 1 1 calc R . . . .
C25 C 0.3960(2) -0.4147(6) 0.9634(4) 0.0858(19) Uani 1 1 d . . . . .
H25 H 0.418655 -0.484048 1.000711 0.103 Uiso 1 1 calc R . . . .
C26 C 0.4327(3) -0.0641(6) 0.8766(4) 0.0783(17) Uani 1 1 d . . . . .
C27 C 0.5324(3) 0.0469(9) 0.8911(6) 0.144(4) Uani 1 1 d . . . . .
H27A H 0.508214 0.063142 0.840581 0.216 Uiso 1 1 calc GR . . . .
H27B H 0.575856 0.007053 0.901972 0.216 Uiso 1 1 calc GR . . . .
H27C H 0.536491 0.144713 0.915476 0.216 Uiso 1 1 calc GR . . . .
C28 C 0.1815(2) -0.6117(5) 0.7965(2) 0.0507(10) Uani 1 1 d . . . . .
C29 C 0.1167(2) -0.5580(7) 0.7681(2) 0.0663(14) Uani 1 1 d . . . . .
H29 H 0.093018 -0.567435 0.794841 0.080 Uiso 1 1 calc R . . . .
C30 C 0.0863(2) -0.4912(7) 0.7016(2) 0.0644(13) Uani 1 1 d . . . . .
H30 H 0.043383 -0.452104 0.685083 0.077 Uiso 1 1 calc R . . . .
C31 C 0.11852(19) -0.4813(5) 0.6591(2) 0.0505(10) Uani 1 1 d . . . . .
C32 C 0.1819(2) -0.5390(5) 0.6849(2) 0.0588(11) Uani 1 1 d . . . . .
H32 H 0.204187 -0.534730 0.656607 0.071 Uiso 1 1 calc R . . . .
C33 C 0.2130(2) -0.6032(6) 0.7523(2) 0.0583(11) Uani 1 1 d . . . . .
H33 H 0.256058 -0.641732 0.768626 0.070 Uiso 1 1 calc R . . . .
C34 C 0.0829(2) -0.4050(6) 0.5882(2) 0.0564(11) Uani 1 1 d . . . . .
C35 C 0.0841(2) -0.3375(8) 0.4812(3) 0.0815(17) Uani 1 1 d . . . . .
H35A H 0.044405 -0.394912 0.452248 0.122 Uiso 1 1 calc GR . . . .
H35B H 0.113267 -0.338024 0.458718 0.122 Uiso 1 1 calc GR . . . .
H35C H 0.072712 -0.231307 0.486435 0.122 Uiso 1 1 calc GR . . . .
B2 B 0.2196(2) -0.6765(6) 0.8751(3) 0.0502(11) Uani 1 1 d . . . . .
B3 B 0.29325(19) -0.5764(5) 0.9402(2) 0.0437(10) Uani 1 1 d . . . . .
B4 B 0.29058(18) -0.5872(5) 1.0260(2) 0.0406(9) Uani 1 1 d . . . . .
B5 B 0.2164(2) -0.6922(5) 1.0144(2) 0.0436(10) Uani 1 1 d . . . . .
B6 B 0.1742(2) -0.7471(6) 0.9221(2) 0.0476(11) Uani 1 1 d . . . . .
H6 H 0.119602 -0.754581 0.895047 0.057 Uiso 1 1 d R . . . .
B7 B 0.2251(3) -0.8769(7) 0.9025(3) 0.0595(13) Uani 1 1 d . . . . .
H7A H 0.205015 -0.972920 0.863613 0.071 Uiso 1 1 d R . . . .
B8 B 0.2968(2) -0.7738(6) 0.9137(3) 0.0557(12) Uani 1 1 d . . . . .
H8A H 0.323014 -0.802795 0.881519 0.067 Uiso 1 1 d R . . . .
B9 B 0.3396(2) -0.7204(5) 1.0043(3) 0.0508(11) Uani 1 1 d . . . . .
H9 H 0.394208 -0.715603 1.031433 0.061 Uiso 1 1 d R . . . .
B10 B 0.2938(2) -0.7877(6) 1.0494(3) 0.0487(11) Uani 1 1 d . . . . .
H10 H 0.318636 -0.825373 1.105363 0.058 Uiso 1 1 d R . . . .
B11 B 0.2231(3) -0.8865(6) 0.9864(3) 0.0560(12) Uani 1 1 d . . . . .
H11 H 0.201855 -0.988219 1.001567 0.067 Uiso 1 1 d R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C9 O3 C10 115.6(3) . . ?
C13 O5 C11 116.3(6) . . ?
C26 O7 C27 114.4(5) . . ?
C34 O9 C35 114.7(3) . . ?
C2 C1 B2 115.5(3) . . ?
C2 C1 B3 122.4(3) . . ?
C2 C1 B4 122.2(3) . . ?
C2 C1 B5 114.7(3) . . ?
C2 C1 B6 111.9(3) . . ?
B3 C1 B2 63.0(2) . . ?
B3 C1 B5 115.8(3) . . ?
B4 C1 B2 115.6(3) . . ?
B4 C1 B3 63.4(2) . . ?
B4 C1 B5 63.0(2) . . ?
B5 C1 B2 115.2(3) . . ?
B6 C1 B2 62.6(2) . . ?
B6 C1 B3 114.6(3) . . ?
B6 C1 B4 114.3(3) . . ?
B6 C1 B5 62.4(3) . . ?
O1 C2 C1 125.4(3) . . ?
O1 C2 H2 117.3 . . ?
C1 C2 H2 117.3 . . ?
C4 C3 B5 121.5(3) . . ?
C8 C3 C4 116.8(3) . . ?
C8 C3 B5 121.7(3) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.0(3) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 120.9(4) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C7 118.6(4) . . ?
C5 C6 C9 122.7(4) . . ?
C7 C6 C9 118.6(3) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 120.9(3) . . ?
C8 C7 H7 119.5 . . ?
C3 C8 H8 119.2 . . ?
C7 C8 C3 121.6(4) . . ?
C7 C8 H8 119.2 . . ?
O2 C9 O3 123.8(4) . . ?
O2 C9 C6 124.5(4) . . ?
O3 C9 C6 111.6(3) . . ?
O3 C10 H10A 109.5 . . ?
O3 C10 H10B 109.5 . . ?
O3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O5 C11 H11A 109.5 . . ?
O5 C11 H11B 109.5 . . ?
O5 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
B7 C12 H12 116.4 . . ?
B7 C12 B8 63.4(3) . . ?
B7 C12 B9 116.1(4) . . ?
B7 C12 B10 116.5(3) . . ?
B7 C12 B11 64.4(3) . . ?
B8 C12 H12 117.1 . . ?
B8 C12 B9 63.0(3) . . ?
B8 C12 B10 115.5(3) . . ?
B9 C12 H12 117.2 . . ?
B9 C12 B10 62.8(3) . . ?
B10 C12 H12 117.0 . . ?
B11 C12 H12 116.1 . . ?
B11 C12 B8 117.0(4) . . ?
B11 C12 B9 115.9(3) . . ?
B11 C12 B10 63.0(3) . . ?
O4 C13 O5 124.0(6) . . ?
O4 C13 C14 124.7(7) . . ?
O5 C13 C14 111.3(5) . . ?
C15 C14 C13 123.2(5) . . ?
C19 C14 C13 118.2(5) . . ?
C19 C14 C15 118.6(4) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.1(4) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 118.8 . . ?
C15 C16 C17 122.4(4) . . ?
C17 C16 H16 118.8 . . ?
C16 C17 C18 116.7(4) . . ?
C16 C17 B4 125.2(3) . . ?
C18 C17 B4 118.0(4) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.8(4) . . ?
C19 C18 H18 119.6 . . ?
C14 C19 C18 121.4(4) . . ?
C14 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C21 C20 C25 116.9(4) . . ?
C21 C20 B3 125.2(4) . . ?
C25 C20 B3 117.8(4) . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 122.1(4) . . ?
C22 C21 H21 119.0 . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(4) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 C24 118.5(4) . . ?
C22 C23 C26 118.9(5) . . ?
C24 C23 C26 122.6(5) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(5) . . ?
C25 C24 H24 120.0 . . ?
C20 C25 H25 119.1 . . ?
C24 C25 C20 121.8(5) . . ?
C24 C25 H25 119.1 . . ?
O6 C26 O7 122.7(4) . . ?
O6 C26 C23 123.2(5) . . ?
O7 C26 C23 114.1(5) . . ?
O7 C27 H27A 109.5 . . ?
O7 C27 H27B 109.5 . . ?
O7 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C33 116.4(4) . . ?
C29 C28 B2 123.0(3) . . ?
C33 C28 B2 120.5(4) . . ?
C28 C29 H29 119.0 . . ?
C30 C29 C28 122.0(4) . . ?
C30 C29 H29 119.0 . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.8(4) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 C34 117.8(4) . . ?
C32 C31 C30 118.3(4) . . ?
C32 C31 C34 123.9(4) . . ?
C31 C32 H32 119.5 . . ?
C31 C32 C33 121.0(4) . . ?
C33 C32 H32 119.5 . . ?
C28 C33 H33 119.3 . . ?
C32 C33 C28 121.3(4) . . ?
C32 C33 H33 119.3 . . ?
O8 C34 O9 123.3(4) . . ?
O8 C34 C31 123.7(4) . . ?
O9 C34 C31 112.8(3) . . ?
O9 C35 H35A 109.5 . . ?
O9 C35 H35B 109.5 . . ?
O9 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C1 B2 B3 58.4(2) . . ?
C1 B2 B6 58.0(2) . . ?
C1 B2 B7 102.9(3) . . ?
C1 B2 B8 102.8(3) . . ?
C28 B2 C1 121.2(4) . . ?
C28 B2 B3 120.6(4) . . ?
C28 B2 B6 120.5(3) . . ?
C28 B2 B7 126.6(4) . . ?
C28 B2 B8 127.7(3) . . ?
B6 B2 B3 107.1(3) . . ?
B7 B2 B3 107.2(3) . . ?
B7 B2 B6 58.8(3) . . ?
B8 B2 B3 59.6(3) . . ?
B8 B2 B6 105.8(3) . . ?
B8 B2 B7 59.3(3) . . ?
C1 B3 B2 58.6(2) . . ?
C1 B3 B4 57.8(2) . . ?
C1 B3 B8 102.1(3) . . ?
C1 B3 B9 101.9(3) . . ?
C20 B3 C1 126.6(3) . . ?
C20 B3 B2 125.0(4) . . ?
C20 B3 B4 119.3(3) . . ?
C20 B3 B8 125.2(3) . . ?
C20 B3 B9 121.8(3) . . ?
B4 B3 B2 107.3(3) . . ?
B8 B3 B2 58.5(3) . . ?
B8 B3 B4 106.5(3) . . ?
B9 B3 B2 106.0(3) . . ?
B9 B3 B4 59.1(2) . . ?
B9 B3 B8 59.4(3) . . ?
C1 B4 B3 58.8(2) . . ?
C1 B4 B5 59.0(2) . . ?
C1 B4 B9 102.7(3) . . ?
C1 B4 B10 103.2(3) . . ?
C17 B4 C1 125.9(3) . . ?
C17 B4 B3 120.6(3) . . ?
C17 B4 B5 122.2(3) . . ?
C17 B4 B9 123.1(3) . . ?
C17 B4 B10 123.2(3) . . ?
B5 B4 B3 108.8(3) . . ?
B9 B4 B3 59.1(2) . . ?
B9 B4 B5 106.7(3) . . ?
B10 B4 B3 107.7(3) . . ?
B10 B4 B5 58.9(2) . . ?
B10 B4 B9 59.8(2) . . ?
C1 B5 B4 58.0(2) . . ?
C1 B5 B6 58.3(2) . . ?
C1 B5 B10 102.9(3) . . ?
C1 B5 B11 103.4(3) . . ?
C3 B5 C1 122.2(3) . . ?
C3 B5 B4 121.4(3) . . ?
C3 B5 B6 120.5(3) . . ?
C3 B5 B10 126.7(3) . . ?
C3 B5 B11 125.3(3) . . ?
B6 B5 B4 106.9(3) . . ?
B10 B5 B4 59.4(2) . . ?
B10 B5 B6 106.3(3) . . ?
B10 B5 B11 59.7(3) . . ?
B11 B5 B4 107.3(3) . . ?
B11 B5 B6 59.1(3) . . ?
C1 B6 B2 59.4(2) . . ?
C1 B6 B5 59.3(2) . . ?
C1 B6 H6 124.8 . . ?
C1 B6 B7 104.9(3) . . ?
C1 B6 B11 105.1(3) . . ?
B2 B6 H6 120.5 . . ?
B5 B6 B2 110.0(3) . . ?
B5 B6 H6 120.4 . . ?
B7 B6 B2 60.2(3) . . ?
B7 B6 B5 109.0(3) . . ?
B7 B6 H6 122.1 . . ?
B7 B6 B11 60.4(3) . . ?
B11 B6 B2 109.2(3) . . ?
B11 B6 B5 60.2(3) . . ?
B11 B6 H6 121.9 . . ?
C12 B7 B2 104.9(4) . . ?
C12 B7 B6 103.6(4) . . ?
C12 B7 H7A 125.1 . . ?
C12 B7 B8 59.0(3) . . ?
C12 B7 B11 58.2(3) . . ?
B2 B7 H7A 121.8 . . ?
B6 B7 B2 61.0(3) . . ?
B6 B7 H7A 122.8 . . ?
B6 B7 B11 59.8(3) . . ?
B8 B7 B2 59.6(3) . . ?
B8 B7 B6 107.7(4) . . ?
B8 B7 H7A 121.6 . . ?
B8 B7 B11 108.3(4) . . ?
B11 B7 B2 109.4(4) . . ?
B11 B7 H7A 120.9 . . ?
C12 B8 B2 105.0(3) . . ?
C12 B8 B3 105.4(3) . . ?
C12 B8 B7 57.6(3) . . ?
C12 B8 H8A 125.7 . . ?
C12 B8 B9 58.6(3) . . ?
B2 B8 B3 61.9(3) . . ?
B2 B8 H8A 120.6 . . ?
B3 B8 H8A 120.8 . . ?
B7 B8 B2 61.1(3) . . ?
B7 B8 B3 110.4(3) . . ?
B7 B8 H8A 120.8 . . ?
B7 B8 B9 107.7(3) . . ?
B9 B8 B2 109.2(3) . . ?
B9 B8 B3 60.1(3) . . ?
B9 B8 H8A 122.0 . . ?
C12 B9 B3 105.6(3) . . ?
C12 B9 B4 105.2(3) . . ?
C12 B9 B8 58.4(3) . . ?
C12 B9 H9 125.0 . . ?
C12 B9 B10 59.1(3) . . ?
B3 B9 H9 120.7 . . ?
B4 B9 B3 61.8(2) . . ?
B4 B9 H9 121.4 . . ?
B8 B9 B3 60.6(3) . . ?
B8 B9 B4 109.6(3) . . ?
B8 B9 H9 121.1 . . ?
B8 B9 B10 108.6(3) . . ?
B10 B9 B3 110.0(3) . . ?
B10 B9 B4 60.0(3) . . ?
B10 B9 H9 121.0 . . ?
C12 B10 B4 104.7(3) . . ?
C12 B10 B5 104.5(3) . . ?
C12 B10 B9 58.2(3) . . ?
C12 B10 H10 125.8 . . ?
C12 B10 B11 57.6(3) . . ?
B4 B10 H10 121.1 . . ?
B5 B10 B4 61.7(2) . . ?
B5 B10 B9 109.2(3) . . ?
B5 B10 H10 121.3 . . ?
B5 B10 B11 60.9(3) . . ?
B9 B10 B4 60.2(2) . . ?
B9 B10 H10 121.5 . . ?
B11 B10 B4 110.0(3) . . ?
B11 B10 B9 107.5(4) . . ?
B11 B10 H10 121.3 . . ?
C12 B11 B5 104.7(3) . . ?
C12 B11 B6 103.0(3) . . ?
C12 B11 B7 57.5(3) . . ?
C12 B11 B10 59.4(3) . . ?
C12 B11 H11 125.4 . . ?
B5 B11 H11 121.7 . . ?
B6 B11 B5 60.7(3) . . ?
B6 B11 B7 59.8(3) . . ?
B6 B11 B10 107.3(3) . . ?
B6 B11 H11 123.2 . . ?
B7 B11 B5 108.9(4) . . ?
B7 B11 H11 121.6 . . ?
B10 B11 B5 59.4(3) . . ?
B10 B11 B7 107.9(3) . . ?
B10 B11 H11 121.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C2 1.175(5) . ?
O2 C9 1.204(5) . ?
O3 C9 1.331(5) . ?
O3 C10 1.446(5) . ?
O4 C13 1.224(8) . ?
O5 C11 1.453(7) . ?
O5 C13 1.360(8) . ?
O6 C26 1.195(6) . ?
O7 C26 1.304(7) . ?
O7 C27 1.456(7) . ?
O8 C34 1.188(5) . ?
O9 C34 1.320(5) . ?
O9 C35 1.435(5) . ?
C1 C2 1.512(5) . ?
C1 B2 1.747(6) . ?
C1 B3 1.742(5) . ?
C1 B4 1.723(5) . ?
C1 B5 1.742(6) . ?
C1 B6 1.723(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.403(6) . ?
C3 C8 1.394(5) . ?
C3 B5 1.576(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.382(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.378(5) . ?
C6 C7 1.379(6) . ?
C6 C9 1.488(5) . ?
C7 H7 0.9300 . ?
C7 C8 1.374(6) . ?
C8 H8 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12 1.0988 . ?
C12 B7 1.660(7) . ?
C12 B8 1.684(7) . ?
C12 B9 1.689(7) . ?
C12 B10 1.705(7) . ?
C12 B11 1.673(6) . ?
C13 C14 1.469(7) . ?
C14 C15 1.393(6) . ?
C14 C19 1.355(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.353(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.387(6) . ?
C17 C18 1.390(5) . ?
C17 B4 1.569(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.380(6) . ?
C20 C25 1.391(6) . ?
C20 B3 1.576(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.382(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.380(7) . ?
C23 C24 1.390(7) . ?
C23 C26 1.469(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.389(7) . ?
C25 H25 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C29 1.383(6) . ?
C28 C33 1.391(5) . ?
C28 B2 1.579(7) . ?
C29 H29 0.9300 . ?
C29 C30 1.372(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.373(5) . ?
C31 C32 1.370(6) . ?
C31 C34 1.485(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.380(6) . ?
C33 H33 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
B2 B3 1.823(7) . ?
B2 B6 1.803(6) . ?
B2 B7 1.789(8) . ?
B2 B8 1.763(7) . ?
B3 B4 1.822(6) . ?
B3 B8 1.784(7) . ?
B3 B9 1.775(7) . ?
B4 B5 1.810(6) . ?
B4 B9 1.774(6) . ?
B4 B10 1.770(7) . ?
B5 B6 1.795(6) . ?
B5 B10 1.759(6) . ?
B5 B11 1.786(7) . ?
B6 H6 1.1014 . ?
B6 B7 1.765(7) . ?
B6 B11 1.765(7) . ?
B7 H7A 1.0999 . ?
B7 B8 1.756(7) . ?
B7 B11 1.775(7) . ?
B8 H8A 1.0998 . ?
B8 B9 1.763(8) . ?
B9 H9 1.1003 . ?
B9 B10 1.768(6) . ?
B10 H10 1.0985 . ?
B10 B11 1.766(7) . ?
B11 H11 1.1011 . ?
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
O4 C13 C14 C15 178.5(5) . . . . ?
O4 C13 C14 C19 -2.8(8) . . . . ?
O5 C13 C14 C15 -0.6(6) . . . . ?
O5 C13 C14 C19 178.1(4) . . . . ?
C1 B2 B3 C20 -115.1(4) . . . . ?
C1 B2 B3 B4 32.4(3) . . . . ?
C1 B2 B3 B8 131.5(3) . . . . ?
C1 B2 B3 B9 94.3(3) . . . . ?
C1 B2 B6 B5 -32.2(3) . . . . ?
C1 B2 B6 B7 -133.2(4) . . . . ?
C1 B2 B6 B11 -96.5(3) . . . . ?
C1 B2 B7 C12 -58.0(4) . . . . ?
C1 B2 B7 B6 39.4(3) . . . . ?
C1 B2 B7 B8 -97.4(3) . . . . ?
C1 B2 B7 B11 3.0(4) . . . . ?
C1 B2 B8 C12 58.9(4) . . . . ?
C1 B2 B8 B3 -40.9(3) . . . . ?
C1 B2 B8 B7 97.5(3) . . . . ?
C1 B2 B8 B9 -2.6(4) . . . . ?
C1 B3 B4 C17 -116.0(4) . . . . ?
C1 B3 B4 B5 32.7(3) . . . . ?
C1 B3 B4 B9 131.4(3) . . . . ?
C1 B3 B4 B10 95.0(3) . . . . ?
C1 B3 B8 C12 -58.2(4) . . . . ?
C1 B3 B8 B2 40.9(3) . . . . ?
C1 B3 B8 B7 2.5(4) . . . . ?
C1 B3 B8 B9 -96.7(3) . . . . ?
C1 B3 B9 C12 58.7(4) . . . . ?
C1 B3 B9 B4 -40.4(3) . . . . ?
C1 B3 B9 B8 97.2(3) . . . . ?
C1 B3 B9 B10 -3.5(4) . . . . ?
C1 B4 B5 C3 -110.7(4) . . . . ?
C1 B4 B5 B6 33.1(3) . . . . ?
C1 B4 B5 B10 132.4(3) . . . . ?
C1 B4 B5 B11 95.2(3) . . . . ?
C1 B4 B9 C12 -58.7(4) . . . . ?
C1 B4 B9 B3 41.1(3) . . . . ?
C1 B4 B9 B8 2.6(4) . . . . ?
C1 B4 B9 B10 -98.1(3) . . . . ?
C1 B4 B10 C12 58.2(3) . . . . ?
C1 B4 B10 B5 -40.6(3) . . . . ?
C1 B4 B10 B9 97.1(3) . . . . ?
C1 B4 B10 B11 -2.2(4) . . . . ?
C1 B5 B6 B2 32.2(3) . . . . ?
C1 B5 B6 B7 96.5(3) . . . . ?
C1 B5 B6 B11 133.4(3) . . . . ?
C1 B5 B10 C12 -59.2(4) . . . . ?
C1 B5 B10 B4 40.0(3) . . . . ?
C1 B5 B10 B9 1.7(4) . . . . ?
C1 B5 B10 B11 -98.1(3) . . . . ?
C1 B5 B11 C12 57.4(4) . . . . ?
C1 B5 B11 B6 -39.4(3) . . . . ?
C1 B5 B11 B7 -2.7(4) . . . . ?
C1 B5 B11 B10 97.3(3) . . . . ?
C1 B6 B7 C12 59.2(4) . . . . ?
C1 B6 B7 B2 -40.5(3) . . . . ?
C1 B6 B7 B8 -2.1(5) . . . . ?
C1 B6 B7 B11 99.1(3) . . . . ?
C1 B6 B11 C12 -59.4(4) . . . . ?
C1 B6 B11 B5 40.3(3) . . . . ?
C1 B6 B11 B7 -98.8(3) . . . . ?
C1 B6 B11 B10 2.1(4) . . . . ?
C2 C1 B2 C28 6.1(5) . . . . ?
C2 C1 B2 B3 115.1(3) . . . . ?
C2 C1 B2 B6 -102.6(3) . . . . ?
C2 C1 B2 B7 -142.4(3) . . . . ?
C2 C1 B2 B8 156.6(3) . . . . ?
C2 C1 B3 C20 8.2(6) . . . . ?
C2 C1 B3 B2 -104.4(4) . . . . ?
C2 C1 B3 B4 112.9(4) . . . . ?
C2 C1 B3 B8 -145.2(4) . . . . ?
C2 C1 B3 B9 154.0(3) . . . . ?
C2 C1 B4 C17 -5.9(5) . . . . ?
C2 C1 B4 B3 -113.2(4) . . . . ?
C2 C1 B4 B5 103.5(4) . . . . ?
C2 C1 B4 B9 -154.5(3) . . . . ?
C2 C1 B4 B10 143.9(3) . . . . ?
C2 C1 B5 C3 -5.6(5) . . . . ?
C2 C1 B5 B4 -115.1(4) . . . . ?
C2 C1 B5 B6 102.9(3) . . . . ?
C2 C1 B5 B10 -155.8(3) . . . . ?
C2 C1 B5 B11 142.7(3) . . . . ?
C2 C1 B6 B2 108.3(3) . . . . ?
C2 C1 B6 B5 -107.3(3) . . . . ?
C2 C1 B6 B7 149.2(3) . . . . ?
C2 C1 B6 B11 -148.1(3) . . . . ?
C3 C4 C5 C6 0.6(7) . . . . ?
C3 B5 B6 C1 111.2(4) . . . . ?
C3 B5 B6 B2 143.4(4) . . . . ?
C3 B5 B6 B7 -152.3(4) . . . . ?
C3 B5 B6 B11 -115.4(4) . . . . ?
C3 B5 B10 C12 152.5(4) . . . . ?
C3 B5 B10 B4 -108.4(4) . . . . ?
C3 B5 B10 B9 -146.6(4) . . . . ?
C3 B5 B10 B11 113.5(5) . . . . ?
C3 B5 B11 C12 -155.6(4) . . . . ?
C3 B5 B11 B6 107.6(4) . . . . ?
C3 B5 B11 B7 144.3(4) . . . . ?
C3 B5 B11 B10 -115.7(4) . . . . ?
C4 C3 C8 C7 0.2(6) . . . . ?
C4 C3 B5 C1 -105.1(5) . . . . ?
C4 C3 B5 B4 -35.6(6) . . . . ?
C4 C3 B5 B6 -174.6(4) . . . . ?
C4 C3 B5 B10 37.7(6) . . . . ?
C4 C3 B5 B11 113.7(5) . . . . ?
C4 C5 C6 C7 0.8(7) . . . . ?
C4 C5 C6 C9 178.9(4) . . . . ?
C5 C6 C7 C8 -1.7(7) . . . . ?
C5 C6 C9 O2 -169.4(5) . . . . ?
C5 C6 C9 O3 10.1(6) . . . . ?
C6 C7 C8 C3 1.2(7) . . . . ?
C7 C6 C9 O2 8.7(7) . . . . ?
C7 C6 C9 O3 -171.8(4) . . . . ?
C8 C3 C4 C5 -1.1(6) . . . . ?
C8 C3 B5 C1 74.8(5) . . . . ?
C8 C3 B5 B4 144.3(4) . . . . ?
C8 C3 B5 B6 5.3(6) . . . . ?
C8 C3 B5 B10 -142.4(4) . . . . ?
C8 C3 B5 B11 -66.4(6) . . . . ?
C9 C6 C7 C8 -179.9(4) . . . . ?
C10 O3 C9 O2 2.2(7) . . . . ?
C10 O3 C9 C6 -177.3(5) . . . . ?
C11 O5 C13 O4 2.2(8) . . . . ?
C11 O5 C13 C14 -178.8(5) . . . . ?
C12 B7 B8 B2 -134.4(4) . . . . ?
C12 B7 B8 B3 -95.7(4) . . . . ?
C12 B7 B8 B9 -31.8(3) . . . . ?
C12 B7 B11 B5 95.7(4) . . . . ?
C12 B7 B11 B6 132.8(4) . . . . ?
C12 B7 B11 B10 32.8(3) . . . . ?
C12 B8 B9 B3 -135.3(3) . . . . ?
C12 B8 B9 B4 -96.2(3) . . . . ?
C12 B8 B9 B10 -32.4(3) . . . . ?
C12 B9 B10 B4 -134.4(3) . . . . ?
C12 B9 B10 B5 -95.5(4) . . . . ?
C12 B9 B10 B11 -31.0(3) . . . . ?
C12 B10 B11 B5 -133.9(3) . . . . ?
C12 B10 B11 B6 -95.1(3) . . . . ?
C12 B10 B11 B7 -32.1(3) . . . . ?
C13 C14 C15 C16 -179.9(4) . . . . ?
C13 C14 C19 C18 -179.4(4) . . . . ?
C14 C15 C16 C17 -1.5(7) . . . . ?
C15 C14 C19 C18 -0.5(7) . . . . ?
C15 C16 C17 C18 0.8(7) . . . . ?
C15 C16 C17 B4 177.0(4) . . . . ?
C16 C17 C18 C19 0.0(6) . . . . ?
C16 C17 B4 C1 14.9(6) . . . . ?
C16 C17 B4 B3 86.6(5) . . . . ?
C16 C17 B4 B5 -57.9(5) . . . . ?
C16 C17 B4 B9 157.6(4) . . . . ?
C16 C17 B4 B10 -129.3(4) . . . . ?
C17 C18 C19 C14 -0.1(7) . . . . ?
C17 B4 B5 C1 115.5(4) . . . . ?
C17 B4 B5 C3 4.8(5) . . . . ?
C17 B4 B5 B6 148.6(3) . . . . ?
C17 B4 B5 B10 -112.1(4) . . . . ?
C17 B4 B5 B11 -149.3(3) . . . . ?
C17 B4 B9 C12 151.6(4) . . . . ?
C17 B4 B9 B3 -108.6(4) . . . . ?
C17 B4 B9 B8 -147.1(4) . . . . ?
C17 B4 B9 B10 112.2(4) . . . . ?
C17 B4 B10 C12 -150.9(3) . . . . ?
C17 B4 B10 B5 110.4(4) . . . . ?
C17 B4 B10 B9 -112.0(4) . . . . ?
C17 B4 B10 B11 148.7(3) . . . . ?
C18 C17 B4 C1 -168.9(4) . . . . ?
C18 C17 B4 B3 -97.3(4) . . . . ?
C18 C17 B4 B5 118.2(4) . . . . ?
C18 C17 B4 B9 -26.3(5) . . . . ?
C18 C17 B4 B10 46.8(5) . . . . ?
C19 C14 C15 C16 1.3(7) . . . . ?
C20 C21 C22 C23 1.8(7) . . . . ?
C20 B3 B4 C1 117.0(4) . . . . ?
C20 B3 B4 C17 1.0(5) . . . . ?
C20 B3 B4 B5 149.7(3) . . . . ?
C20 B3 B4 B9 -111.7(4) . . . . ?
C20 B3 B4 B10 -148.0(3) . . . . ?
C20 B3 B8 C12 148.0(4) . . . . ?
C20 B3 B8 B2 -113.0(4) . . . . ?
C20 B3 B8 B7 -151.3(4) . . . . ?
C20 B3 B8 B9 109.4(4) . . . . ?
C20 B3 B9 C12 -153.4(4) . . . . ?
C20 B3 B9 B4 107.4(4) . . . . ?
C20 B3 B9 B8 -114.9(4) . . . . ?
C20 B3 B9 B10 144.4(4) . . . . ?
C21 C20 C25 C24 -1.9(9) . . . . ?
C21 C20 B3 C1 -46.5(6) . . . . ?
C21 C20 B3 B2 27.6(6) . . . . ?
C21 C20 B3 B4 -116.4(4) . . . . ?
C21 C20 B3 B8 101.0(5) . . . . ?
C21 C20 B3 B9 173.8(4) . . . . ?
C21 C22 C23 C24 -3.0(8) . . . . ?
C21 C22 C23 C26 178.7(5) . . . . ?
C22 C23 C24 C25 1.7(9) . . . . ?
C22 C23 C26 O6 -0.2(9) . . . . ?
C22 C23 C26 O7 -178.2(6) . . . . ?
C23 C24 C25 C20 0.8(10) . . . . ?
C24 C23 C26 O6 -178.5(6) . . . . ?
C24 C23 C26 O7 3.6(9) . . . . ?
C25 C20 C21 C22 0.6(7) . . . . ?
C25 C20 B3 C1 136.4(5) . . . . ?
C25 C20 B3 B2 -149.4(5) . . . . ?
C25 C20 B3 B4 66.6(5) . . . . ?
C25 C20 B3 B8 -76.0(6) . . . . ?
C25 C20 B3 B9 -3.2(6) . . . . ?
C26 C23 C24 C25 180.0(6) . . . . ?
C27 O7 C26 O6 -5.4(10) . . . . ?
C27 O7 C26 C23 172.5(7) . . . . ?
C28 C29 C30 C31 2.9(8) . . . . ?
C28 B2 B3 C1 110.1(4) . . . . ?
C28 B2 B3 C20 -5.1(6) . . . . ?
C28 B2 B3 B4 142.5(3) . . . . ?
C28 B2 B3 B8 -118.5(4) . . . . ?
C28 B2 B3 B9 -155.6(3) . . . . ?
C28 B2 B6 C1 -109.9(4) . . . . ?
C28 B2 B6 B5 -142.1(4) . . . . ?
C28 B2 B6 B7 116.9(5) . . . . ?
C28 B2 B6 B11 153.5(4) . . . . ?
C28 B2 B7 C12 155.7(4) . . . . ?
C28 B2 B7 B6 -106.9(4) . . . . ?
C28 B2 B7 B8 116.4(5) . . . . ?
C28 B2 B7 B11 -143.3(4) . . . . ?
C28 B2 B8 C12 -153.3(4) . . . . ?
C28 B2 B8 B3 107.0(5) . . . . ?
C28 B2 B8 B7 -114.6(5) . . . . ?
C28 B2 B8 B9 145.2(4) . . . . ?
C29 C28 C33 C32 2.4(7) . . . . ?
C29 C28 B2 C1 -47.3(6) . . . . ?
C29 C28 B2 B3 -116.6(5) . . . . ?
C29 C28 B2 B6 21.5(7) . . . . ?
C29 C28 B2 B7 93.4(6) . . . . ?
C29 C28 B2 B8 170.0(5) . . . . ?
C29 C30 C31 C32 -0.4(7) . . . . ?
C29 C30 C31 C34 -179.0(5) . . . . ?
C30 C31 C32 C33 -1.0(7) . . . . ?
C30 C31 C34 O8 7.5(7) . . . . ?
C30 C31 C34 O9 -176.3(4) . . . . ?
C31 C32 C33 C28 -0.1(7) . . . . ?
C32 C31 C34 O8 -171.0(5) . . . . ?
C32 C31 C34 O9 5.2(6) . . . . ?
C33 C28 C29 C30 -3.8(7) . . . . ?
C33 C28 B2 C1 131.3(4) . . . . ?
C33 C28 B2 B3 62.1(6) . . . . ?
C33 C28 B2 B6 -159.9(4) . . . . ?
C33 C28 B2 B7 -87.9(5) . . . . ?
C33 C28 B2 B8 -11.3(7) . . . . ?
C34 C31 C32 C33 177.5(4) . . . . ?
C35 O9 C34 O8 -3.9(7) . . . . ?
C35 O9 C34 C31 179.9(4) . . . . ?
B2 C1 C2 O1 -85.2(5) . . . . ?
B2 C1 B3 C20 112.6(5) . . . . ?
B2 C1 B3 B4 -142.8(3) . . . . ?
B2 C1 B3 B8 -40.8(3) . . . . ?
B2 C1 B3 B9 -101.6(3) . . . . ?
B2 C1 B4 C17 144.0(4) . . . . ?
B2 C1 B4 B3 36.7(3) . . . . ?
B2 C1 B4 B5 -106.6(3) . . . . ?
B2 C1 B4 B9 -4.6(4) . . . . ?
B2 C1 B4 B10 -66.2(4) . . . . ?
B2 C1 B5 C3 -143.3(4) . . . . ?
B2 C1 B5 B4 107.2(3) . . . . ?
B2 C1 B5 B6 -34.9(3) . . . . ?
B2 C1 B5 B10 66.5(4) . . . . ?
B2 C1 B5 B11 5.0(4) . . . . ?
B2 C1 B6 B5 144.4(3) . . . . ?
B2 C1 B6 B7 40.9(3) . . . . ?
B2 C1 B6 B11 103.7(3) . . . . ?
B2 C28 C29 C30 174.9(5) . . . . ?
B2 C28 C33 C32 -176.3(4) . . . . ?
B2 B3 B4 C1 -32.7(3) . . . . ?
B2 B3 B4 C17 -148.7(3) . . . . ?
B2 B3 B4 B5 0.0(4) . . . . ?
B2 B3 B4 B9 98.6(3) . . . . ?
B2 B3 B4 B10 62.3(3) . . . . ?
B2 B3 B8 C12 -99.0(3) . . . . ?
B2 B3 B8 B7 -38.4(3) . . . . ?
B2 B3 B8 B9 -137.6(3) . . . . ?
B2 B3 B9 C12 -1.7(4) . . . . ?
B2 B3 B9 B4 -100.9(3) . . . . ?
B2 B3 B9 B8 36.7(3) . . . . ?
B2 B3 B9 B10 -63.9(4) . . . . ?
B2 B6 B7 C12 99.7(4) . . . . ?
B2 B6 B7 B8 38.3(3) . . . . ?
B2 B6 B7 B11 139.6(4) . . . . ?
B2 B6 B11 C12 2.8(4) . . . . ?
B2 B6 B11 B5 102.6(3) . . . . ?
B2 B6 B11 B7 -36.6(3) . . . . ?
B2 B6 B11 B10 64.4(4) . . . . ?
B2 B7 B8 C12 134.4(4) . . . . ?
B2 B7 B8 B3 38.7(3) . . . . ?
B2 B7 B8 B9 102.6(4) . . . . ?
B2 B7 B11 C12 -95.9(4) . . . . ?
B2 B7 B11 B5 -0.2(5) . . . . ?
B2 B7 B11 B6 36.9(3) . . . . ?
B2 B7 B11 B10 -63.1(5) . . . . ?
B2 B8 B9 C12 96.2(4) . . . . ?
B2 B8 B9 B3 -39.0(3) . . . . ?
B2 B8 B9 B4 0.0(4) . . . . ?
B2 B8 B9 B10 63.9(4) . . . . ?
B3 C1 C2 O1 -12.2(6) . . . . ?
B3 C1 B2 C28 -109.0(4) . . . . ?
B3 C1 B2 B6 142.3(3) . . . . ?
B3 C1 B2 B7 102.5(3) . . . . ?
B3 C1 B2 B8 41.5(3) . . . . ?
B3 C1 B4 C17 107.3(4) . . . . ?
B3 C1 B4 B5 -143.3(3) . . . . ?
B3 C1 B4 B9 -41.3(3) . . . . ?
B3 C1 B4 B10 -102.9(3) . . . . ?
B3 C1 B5 C3 145.9(3) . . . . ?
B3 C1 B5 B4 36.4(3) . . . . ?
B3 C1 B5 B6 -105.6(3) . . . . ?
B3 C1 B5 B10 -4.3(4) . . . . ?
B3 C1 B5 B11 -65.8(4) . . . . ?
B3 C1 B6 B2 -36.9(3) . . . . ?
B3 C1 B6 B5 107.5(3) . . . . ?
B3 C1 B6 B7 4.0(4) . . . . ?
B3 C1 B6 B11 66.8(4) . . . . ?
B3 C20 C21 C22 -176.4(4) . . . . ?
B3 C20 C25 C24 175.4(6) . . . . ?
B3 B2 B6 C1 33.0(3) . . . . ?
B3 B2 B6 B5 0.8(4) . . . . ?
B3 B2 B6 B7 -100.1(4) . . . . ?
B3 B2 B6 B11 -63.5(4) . . . . ?
B3 B2 B7 C12 2.5(4) . . . . ?
B3 B2 B7 B6 99.9(3) . . . . ?
B3 B2 B7 B8 -36.9(3) . . . . ?
B3 B2 B7 B11 63.5(4) . . . . ?
B3 B2 B8 C12 99.7(4) . . . . ?
B3 B2 B8 B7 138.4(3) . . . . ?
B3 B2 B8 B9 38.2(3) . . . . ?
B3 B4 B5 C1 -32.6(3) . . . . ?
B3 B4 B5 C3 -143.3(3) . . . . ?
B3 B4 B5 B6 0.5(4) . . . . ?
B3 B4 B5 B10 99.8(3) . . . . ?
B3 B4 B5 B11 62.6(4) . . . . ?
B3 B4 B9 C12 -99.8(4) . . . . ?
B3 B4 B9 B8 -38.5(3) . . . . ?
B3 B4 B9 B10 -139.2(3) . . . . ?
B3 B4 B10 C12 -2.8(4) . . . . ?
B3 B4 B10 B5 -101.6(3) . . . . ?
B3 B4 B10 B9 36.0(3) . . . . ?
B3 B4 B10 B11 -63.2(4) . . . . ?
B3 B8 B9 C12 135.3(3) . . . . ?
B3 B8 B9 B4 39.1(3) . . . . ?
B3 B8 B9 B10 102.9(3) . . . . ?
B3 B9 B10 C12 96.7(4) . . . . ?
B3 B9 B10 B4 -37.7(3) . . . . ?
B3 B9 B10 B5 1.2(5) . . . . ?
B3 B9 B10 B11 65.6(4) . . . . ?
B4 C1 C2 O1 64.8(5) . . . . ?
B4 C1 B2 C28 -145.8(4) . . . . ?
B4 C1 B2 B3 -36.9(3) . . . . ?
B4 C1 B2 B6 105.4(3) . . . . ?
B4 C1 B2 B7 65.6(4) . . . . ?
B4 C1 B2 B8 4.7(4) . . . . ?
B4 C1 B3 C20 -104.7(5) . . . . ?
B4 C1 B3 B2 142.8(3) . . . . ?
B4 C1 B3 B8 102.0(3) . . . . ?
B4 C1 B3 B9 41.1(3) . . . . ?
B4 C1 B5 C3 109.5(4) . . . . ?
B4 C1 B5 B6 -142.0(3) . . . . ?
B4 C1 B5 B10 -40.7(3) . . . . ?
B4 C1 B5 B11 -102.2(3) . . . . ?
B4 C1 B6 B2 -107.4(3) . . . . ?
B4 C1 B6 B5 37.0(3) . . . . ?
B4 C1 B6 B7 -66.5(4) . . . . ?
B4 C1 B6 B11 -3.8(4) . . . . ?
B4 C17 C18 C19 -176.4(4) . . . . ?
B4 B3 B8 C12 1.5(4) . . . . ?
B4 B3 B8 B2 100.5(3) . . . . ?
B4 B3 B8 B7 62.2(4) . . . . ?
B4 B3 B8 B9 -37.1(3) . . . . ?
B4 B3 B9 C12 99.2(3) . . . . ?
B4 B3 B9 B8 137.6(3) . . . . ?
B4 B3 B9 B10 37.0(3) . . . . ?
B4 B5 B6 C1 -33.0(3) . . . . ?
B4 B5 B6 B2 -0.8(4) . . . . ?
B4 B5 B6 B7 63.4(4) . . . . ?
B4 B5 B6 B11 100.4(3) . . . . ?
B4 B5 B10 C12 -99.1(3) . . . . ?
B4 B5 B10 B9 -38.2(3) . . . . ?
B4 B5 B10 B11 -138.1(3) . . . . ?
B4 B5 B11 C12 -2.8(4) . . . . ?
B4 B5 B11 B6 -99.6(3) . . . . ?
B4 B5 B11 B7 -62.9(4) . . . . ?
B4 B5 B11 B10 37.1(3) . . . . ?
B4 B9 B10 C12 134.4(3) . . . . ?
B4 B9 B10 B5 38.9(3) . . . . ?
B4 B9 B10 B11 103.4(3) . . . . ?
B4 B10 B11 C12 95.1(4) . . . . ?
B4 B10 B11 B5 -38.8(3) . . . . ?
B4 B10 B11 B6 0.0(4) . . . . ?
B4 B10 B11 B7 63.1(4) . . . . ?
B5 C1 C2 O1 137.2(4) . . . . ?
B5 C1 B2 C28 143.5(4) . . . . ?
B5 C1 B2 B3 -107.5(3) . . . . ?
B5 C1 B2 B6 34.8(3) . . . . ?
B5 C1 B2 B7 -5.0(4) . . . . ?
B5 C1 B2 B8 -66.0(4) . . . . ?
B5 C1 B3 C20 -140.9(4) . . . . ?
B5 C1 B3 B2 106.6(4) . . . . ?
B5 C1 B3 B4 -36.2(3) . . . . ?
B5 C1 B3 B8 65.8(4) . . . . ?
B5 C1 B3 B9 4.9(4) . . . . ?
B5 C1 B4 C17 -109.4(4) . . . . ?
B5 C1 B4 B3 143.3(3) . . . . ?
B5 C1 B4 B9 102.0(3) . . . . ?
B5 C1 B4 B10 40.5(3) . . . . ?
B5 C1 B6 B2 -144.4(3) . . . . ?
B5 C1 B6 B7 -103.5(3) . . . . ?
B5 C1 B6 B11 -40.7(3) . . . . ?
B5 C3 C4 C5 178.8(4) . . . . ?
B5 C3 C8 C7 -179.7(4) . . . . ?
B5 B4 B9 C12 2.4(4) . . . . ?
B5 B4 B9 B3 102.2(3) . . . . ?
B5 B4 B9 B8 63.7(4) . . . . ?
B5 B4 B9 B10 -37.0(3) . . . . ?
B5 B4 B10 C12 98.8(3) . . . . ?
B5 B4 B10 B9 137.7(4) . . . . ?
B5 B4 B10 B11 38.4(3) . . . . ?
B5 B6 B7 C12 -3.0(4) . . . . ?
B5 B6 B7 B2 -102.7(3) . . . . ?
B5 B6 B7 B8 -64.3(4) . . . . ?
B5 B6 B7 B11 36.9(3) . . . . ?
B5 B6 B11 C12 -99.8(3) . . . . ?
B5 B6 B11 B7 -139.1(3) . . . . ?
B5 B6 B11 B10 -38.2(3) . . . . ?
B5 B10 B11 C12 133.9(3) . . . . ?
B5 B10 B11 B6 38.8(3) . . . . ?
B5 B10 B11 B7 101.8(4) . . . . ?
B6 C1 C2 O1 -154.2(4) . . . . ?
B6 C1 B2 C28 108.8(4) . . . . ?
B6 C1 B2 B3 -142.3(3) . . . . ?
B6 C1 B2 B7 -39.8(3) . . . . ?
B6 C1 B2 B8 -100.7(4) . . . . ?
B6 C1 B3 C20 149.3(4) . . . . ?
B6 C1 B3 B2 36.7(3) . . . . ?
B6 C1 B3 B4 -106.1(3) . . . . ?
B6 C1 B3 B8 -4.1(4) . . . . ?
B6 C1 B3 B9 -64.9(4) . . . . ?
B6 C1 B4 C17 -146.1(3) . . . . ?
B6 C1 B4 B3 106.6(3) . . . . ?
B6 C1 B4 B5 -36.7(3) . . . . ?
B6 C1 B4 B9 65.3(3) . . . . ?
B6 C1 B4 B10 3.7(4) . . . . ?
B6 C1 B5 C3 -108.5(4) . . . . ?
B6 C1 B5 B4 142.0(3) . . . . ?
B6 C1 B5 B10 101.3(3) . . . . ?
B6 C1 B5 B11 39.8(3) . . . . ?
B6 B2 B3 C1 -32.9(3) . . . . ?
B6 B2 B3 C20 -148.0(4) . . . . ?
B6 B2 B3 B4 -0.5(4) . . . . ?
B6 B2 B3 B8 98.6(4) . . . . ?
B6 B2 B3 B9 61.4(4) . . . . ?
B6 B2 B7 C12 -97.4(4) . . . . ?
B6 B2 B7 B8 -136.8(4) . . . . ?
B6 B2 B7 B11 -36.4(3) . . . . ?
B6 B2 B8 C12 -1.2(5) . . . . ?
B6 B2 B8 B3 -100.9(3) . . . . ?
B6 B2 B8 B7 37.5(3) . . . . ?
B6 B2 B8 B9 -62.6(4) . . . . ?
B6 B5 B10 C12 1.2(4) . . . . ?
B6 B5 B10 B4 100.3(3) . . . . ?
B6 B5 B10 B9 62.0(4) . . . . ?
B6 B5 B10 B11 -37.8(3) . . . . ?
B6 B5 B11 C12 96.8(4) . . . . ?
B6 B5 B11 B7 36.7(3) . . . . ?
B6 B5 B11 B10 136.7(3) . . . . ?
B6 B7 B8 C12 95.4(4) . . . . ?
B6 B7 B8 B2 -39.0(3) . . . . ?
B6 B7 B8 B3 -0.3(5) . . . . ?
B6 B7 B8 B9 63.6(4) . . . . ?
B6 B7 B11 C12 -132.8(4) . . . . ?
B6 B7 B11 B5 -37.1(3) . . . . ?
B6 B7 B11 B10 -100.0(4) . . . . ?
B7 C12 B8 B2 40.4(3) . . . . ?
B7 C12 B8 B3 104.7(4) . . . . ?
B7 C12 B8 B9 144.0(4) . . . . ?
B7 C12 B9 B3 3.7(5) . . . . ?
B7 C12 B9 B4 68.0(4) . . . . ?
B7 C12 B9 B8 -35.9(3) . . . . ?
B7 C12 B9 B10 107.9(4) . . . . ?
B7 C12 B10 B4 -67.4(4) . . . . ?
B7 C12 B10 B5 -3.4(5) . . . . ?
B7 C12 B10 B9 -107.3(4) . . . . ?
B7 C12 B10 B11 37.2(4) . . . . ?
B7 C12 B11 B5 -103.3(4) . . . . ?
B7 C12 B11 B6 -40.6(3) . . . . ?
B7 C12 B11 B10 -143.2(4) . . . . ?
B7 B2 B3 C1 -94.8(3) . . . . ?
B7 B2 B3 C20 150.1(3) . . . . ?
B7 B2 B3 B4 -62.4(4) . . . . ?
B7 B2 B3 B8 36.7(3) . . . . ?
B7 B2 B3 B9 -0.4(4) . . . . ?
B7 B2 B6 C1 133.2(4) . . . . ?
B7 B2 B6 B5 101.0(4) . . . . ?
B7 B2 B6 B11 36.6(3) . . . . ?
B7 B2 B8 C12 -38.7(3) . . . . ?
B7 B2 B8 B3 -138.4(3) . . . . ?
B7 B2 B8 B9 -100.1(4) . . . . ?
B7 B6 B11 C12 39.4(3) . . . . ?
B7 B6 B11 B5 139.1(3) . . . . ?
B7 B6 B11 B10 101.0(4) . . . . ?
B7 B8 B9 C12 31.4(3) . . . . ?
B7 B8 B9 B3 -103.8(4) . . . . ?
B7 B8 B9 B4 -64.8(4) . . . . ?
B7 B8 B9 B10 -0.9(5) . . . . ?
B8 C12 B7 B2 -39.6(3) . . . . ?
B8 C12 B7 B6 -102.7(4) . . . . ?
B8 C12 B7 B11 -143.4(4) . . . . ?
B8 C12 B9 B3 39.5(3) . . . . ?
B8 C12 B9 B4 103.9(3) . . . . ?
B8 C12 B9 B10 143.7(3) . . . . ?
B8 C12 B10 B4 4.1(4) . . . . ?
B8 C12 B10 B5 68.1(4) . . . . ?
B8 C12 B10 B9 -35.7(3) . . . . ?
B8 C12 B10 B11 108.7(4) . . . . ?
B8 C12 B11 B5 -66.6(5) . . . . ?
B8 C12 B11 B6 -3.9(5) . . . . ?
B8 C12 B11 B7 36.7(4) . . . . ?
B8 C12 B11 B10 -106.5(4) . . . . ?
B8 B2 B3 C1 -131.5(3) . . . . ?
B8 B2 B3 C20 113.4(4) . . . . ?
B8 B2 B3 B4 -99.1(3) . . . . ?
B8 B2 B3 B9 -37.1(3) . . . . ?
B8 B2 B6 C1 95.5(4) . . . . ?
B8 B2 B6 B5 63.3(4) . . . . ?
B8 B2 B6 B7 -37.7(3) . . . . ?
B8 B2 B6 B11 -1.1(5) . . . . ?
B8 B2 B7 C12 39.3(3) . . . . ?
B8 B2 B7 B6 136.8(4) . . . . ?
B8 B2 B7 B11 100.3(4) . . . . ?
B8 B3 B4 C1 -94.2(3) . . . . ?
B8 B3 B4 C17 149.9(3) . . . . ?
B8 B3 B4 B5 -61.4(4) . . . . ?
B8 B3 B4 B9 37.2(3) . . . . ?
B8 B3 B4 B10 0.9(4) . . . . ?
B8 B3 B9 C12 -38.5(3) . . . . ?
B8 B3 B9 B4 -137.6(3) . . . . ?
B8 B3 B9 B10 -100.7(4) . . . . ?
B8 B7 B11 C12 -32.5(3) . . . . ?
B8 B7 B11 B5 63.2(5) . . . . ?
B8 B7 B11 B6 100.3(4) . . . . ?
B8 B7 B11 B10 0.3(5) . . . . ?
B8 B9 B10 C12 32.1(3) . . . . ?
B8 B9 B10 B4 -102.3(4) . . . . ?
B8 B9 B10 B5 -63.4(4) . . . . ?
B8 B9 B10 B11 1.1(4) . . . . ?
B9 C12 B7 B2 -3.9(5) . . . . ?
B9 C12 B7 B6 -67.0(4) . . . . ?
B9 C12 B7 B8 35.7(4) . . . . ?
B9 C12 B7 B11 -107.7(4) . . . . ?
B9 C12 B8 B2 -103.6(4) . . . . ?
B9 C12 B8 B3 -39.2(3) . . . . ?
B9 C12 B8 B7 -144.0(4) . . . . ?
B9 C12 B10 B4 39.9(3) . . . . ?
B9 C12 B10 B5 103.9(3) . . . . ?
B9 C12 B10 B11 144.4(4) . . . . ?
B9 C12 B11 B5 4.8(5) . . . . ?
B9 C12 B11 B6 67.5(5) . . . . ?
B9 C12 B11 B7 108.1(4) . . . . ?
B9 C12 B11 B10 -35.1(4) . . . . ?
B9 B3 B4 C1 -131.4(3) . . . . ?
B9 B3 B4 C17 112.7(4) . . . . ?
B9 B3 B4 B5 -98.6(3) . . . . ?
B9 B3 B4 B10 -36.3(3) . . . . ?
B9 B3 B8 C12 38.6(3) . . . . ?
B9 B3 B8 B2 137.6(3) . . . . ?
B9 B3 B8 B7 99.2(4) . . . . ?
B9 B4 B5 C1 -95.0(3) . . . . ?
B9 B4 B5 C3 154.3(4) . . . . ?
B9 B4 B5 B6 -61.9(4) . . . . ?
B9 B4 B5 B10 37.4(3) . . . . ?
B9 B4 B5 B11 0.2(4) . . . . ?
B9 B4 B10 C12 -38.9(3) . . . . ?
B9 B4 B10 B5 -137.7(4) . . . . ?
B9 B4 B10 B11 -99.3(4) . . . . ?
B9 B10 B11 C12 31.2(3) . . . . ?
B9 B10 B11 B5 -102.7(3) . . . . ?
B9 B10 B11 B6 -63.9(4) . . . . ?
B9 B10 B11 B7 -0.8(5) . . . . ?
B10 C12 B7 B2 67.1(4) . . . . ?
B10 C12 B7 B6 4.0(5) . . . . ?
B10 C12 B7 B8 106.8(4) . . . . ?
B10 C12 B7 B11 -36.7(4) . . . . ?
B10 C12 B8 B2 -68.0(4) . . . . ?
B10 C12 B8 B3 -3.6(4) . . . . ?
B10 C12 B8 B7 -108.3(4) . . . . ?
B10 C12 B8 B9 35.6(3) . . . . ?
B10 C12 B9 B3 -104.2(3) . . . . ?
B10 C12 B9 B4 -39.9(3) . . . . ?
B10 C12 B9 B8 -143.7(3) . . . . ?
B10 C12 B11 B5 39.9(3) . . . . ?
B10 C12 B11 B6 102.6(4) . . . . ?
B10 C12 B11 B7 143.2(4) . . . . ?
B10 B4 B5 C1 -132.4(3) . . . . ?
B10 B4 B5 C3 116.9(4) . . . . ?
B10 B4 B5 B6 -99.3(4) . . . . ?
B10 B4 B5 B11 -37.2(3) . . . . ?
B10 B4 B9 C12 39.4(3) . . . . ?
B10 B4 B9 B3 139.2(3) . . . . ?
B10 B4 B9 B8 100.7(4) . . . . ?
B10 B5 B6 C1 -95.3(3) . . . . ?
B10 B5 B6 B2 -63.1(4) . . . . ?
B10 B5 B6 B7 1.1(4) . . . . ?
B10 B5 B6 B11 38.1(3) . . . . ?
B10 B5 B11 C12 -39.9(3) . . . . ?
B10 B5 B11 B6 -136.7(3) . . . . ?
B10 B5 B11 B7 -100.0(4) . . . . ?
B11 C12 B7 B2 103.8(4) . . . . ?
B11 C12 B7 B6 40.7(3) . . . . ?
B11 C12 B7 B8 143.4(4) . . . . ?
B11 C12 B8 B2 3.3(5) . . . . ?
B11 C12 B8 B3 67.7(5) . . . . ?
B11 C12 B8 B7 -37.0(4) . . . . ?
B11 C12 B8 B9 106.9(4) . . . . ?
B11 C12 B9 B3 -69.0(5) . . . . ?
B11 C12 B9 B4 -4.7(5) . . . . ?
B11 C12 B9 B8 -108.5(4) . . . . ?
B11 C12 B9 B10 35.2(4) . . . . ?
B11 C12 B10 B4 -104.6(3) . . . . ?
B11 C12 B10 B5 -40.6(3) . . . . ?
B11 C12 B10 B9 -144.4(4) . . . . ?
B11 B5 B6 C1 -133.4(3) . . . . ?
B11 B5 B6 B2 -101.2(4) . . . . ?
B11 B5 B6 B7 -37.0(3) . . . . ?
B11 B5 B10 C12 38.9(3) . . . . ?
B11 B5 B10 B4 138.1(3) . . . . ?
B11 B5 B10 B9 99.8(4) . . . . ?
B11 B6 B7 C12 -39.9(3) . . . . ?
B11 B6 B7 B2 -139.6(4) . . . . ?
B11 B6 B7 B8 -101.2(4) . . . . ?
B11 B7 B8 C12 32.2(3) . . . . ?
B11 B7 B8 B2 -102.2(4) . . . . ?
B11 B7 B8 B3 -63.5(5) . . . . ?
B11 B7 B8 B9 0.4(5) . . . . ?
