#------------------------------------------------------------------------------
#$Date: 2025-07-06 20:16:52 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300993 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/81/7718187.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_7718187
loop_
_publ_author_name
'Rao, Hui'
'Jia, Hairui'
'Qiu, Zaozao'
'Xie, Zuowei'
_publ_section_title
;
 Palladium-catalyzed intramolecular oxidative annulation: synthesis of
 o-carboranoxazoles.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4866
_journal_page_last               4870
_journal_paper_doi               10.1039/d5dt00382b
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C7 H13 B10 N O2'
_chemical_formula_sum            'C7 H14 B10 N O2'
_chemical_formula_weight         252.29
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-06-22
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2025-01-16 deposited with the CCDC.	2025-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.688(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7590(2)
_cell_length_b                   20.9675(6)
_cell_length_c                   9.2775(3)
_cell_measurement_reflns_used    9240
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      54.968
_cell_measurement_theta_min      4.580
_cell_volume                     1299.71(7)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      213.00
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13494
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.967
_diffrn_reflns_theta_min         4.578
_diffrn_source_current           2.86
_diffrn_source_power             0.1995708
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.360
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1543 before and 0.0545 after correction.
The Ratio of minimum to maximum transmission is 0.8340.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_description       block
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.291
_refine_diff_density_min         -0.279
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2458
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0450
_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)+(0.0631P)²+0.5766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1202
_refine_ls_wR_factor_ref         0.1247
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2209
_reflns_number_total             2458
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00382b2.cif
_cod_data_source_block           2m
_cod_depositor_comments
'Adding full bibliography for 7718186--7718188.cif.'
_cod_database_code               7718187
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.982
_shelx_estimated_absorpt_t_min   0.975
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7)
2.b Boron cage BH refined with riding coordinates:
 C2(H2), B3(H3), B5(H5A), B6(H6A), B7(H7A), B8(H8), B9(H9), B10(H10), B11(H11),
  B12(H12)
;
_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 -0.19126(14) -0.46410(4) -0.83393(10) 0.0268(3) Uani 1 1 d . . . . .
O2 O -0.18517(16) -0.62297(5) -0.68896(12) 0.0338(3) Uani 1 1 d . . . . .
N1 N -0.37519(19) -0.50566(6) -0.66516(13) 0.0294(3) Uani 1 1 d . . . . .
C1 C -0.4438(2) -0.44171(7) -0.68686(15) 0.0251(3) Uani 1 1 d . . . . .
C2 C -0.4883(2) -0.38985(7) -0.56315(16) 0.0316(4) Uani 1 1 d . . . . .
H2 H -0.493905 -0.404626 -0.448959 0.038 Uiso 1 1 calc R U . . .
C3 C -0.2402(2) -0.51284(6) -0.74913(15) 0.0250(3) Uani 1 1 d . . . . .
C4 C -0.1293(2) -0.57090(6) -0.76108(15) 0.0264(3) Uani 1 1 d . . . . .
C5 C 0.0285(2) -0.58491(7) -0.82908(17) 0.0353(4) Uani 1 1 d . . . . .
H5 H 0.094284 -0.557203 -0.885856 0.042 Uiso 1 1 calc R U . . .
C6 C 0.0747(3) -0.64982(8) -0.79755(18) 0.0379(4) Uani 1 1 d . . . . .
H6 H 0.177899 -0.673675 -0.828991 0.045 Uiso 1 1 calc R U . . .
C7 C -0.0574(2) -0.67050(7) -0.71427(18) 0.0360(4) Uani 1 1 d . . . . .
H7 H -0.061437 -0.712268 -0.678040 0.043 Uiso 1 1 calc R U . . .
B3 B -0.2594(3) -0.38705(8) -0.61874(18) 0.0290(4) Uani 1 1 d . . . . .
H3 H -0.116799 -0.398207 -0.547075 0.035 Uiso 1 1 calc R U . . .
B4 B -0.3115(2) -0.41018(7) -0.80544(17) 0.0245(3) Uani 1 1 d . . . . .
B5 B -0.5749(3) -0.42380(9) -0.85319(19) 0.0311(4) Uani 1 1 d . . . . .
H5A H -0.637640 -0.458895 -0.937444 0.037 Uiso 1 1 calc R U . . .
B6 B -0.6828(3) -0.41396(8) -0.6935(2) 0.0338(4) Uani 1 1 d . . . . .
H6A H -0.812182 -0.442839 -0.670786 0.041 Uiso 1 1 calc R U . . .
B7 B -0.6479(3) -0.33281(8) -0.64053(19) 0.0303(4) Uani 1 1 d . . . . .
H7A H -0.758314 -0.307842 -0.583350 0.036 Uiso 1 1 calc R U . . .
B8 B -0.3883(3) -0.31660(8) -0.5964(2) 0.0323(4) Uani 1 1 d . . . . .
H8 H -0.330873 -0.281090 -0.511568 0.039 Uiso 1 1 calc R U . . .
B9 B -0.2737(3) -0.32872(8) -0.7565(2) 0.0328(4) Uani 1 1 d . . . . .
H9 H -0.140346 -0.301587 -0.778224 0.039 Uiso 1 1 calc R U . . .
B10 B -0.4693(3) -0.35154(9) -0.90180(19) 0.0338(4) Uani 1 1 d . . . . .
H10 H -0.461924 -0.339095 -1.017166 0.041 Uiso 1 1 calc R U . . .
B11 B -0.7006(3) -0.35299(9) -0.82756(19) 0.0342(4) Uani 1 1 d . . . . .
H11 H -0.845775 -0.340502 -0.894417 0.041 Uiso 1 1 calc R U . . .
B12 B -0.5168(3) -0.29395(8) -0.76897(19) 0.0317(4) Uani 1 1 d . . . . .
H12 H -0.541849 -0.242989 -0.798594 0.038 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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
C3 O1 B4 106.88(10) . . ?
C7 O2 C4 105.74(12) . . ?
C3 N1 C1 105.57(11) . . ?
N1 C1 C2 127.98(12) . . ?
N1 C1 B3 111.66(11) . . ?
N1 C1 B4 105.85(11) . . ?
N1 C1 B5 116.76(12) . . ?
N1 C1 B6 127.71(12) . . ?
C2 C1 B3 60.43(9) . . ?
C2 C1 B4 111.97(11) . . ?
C2 C1 B5 111.26(11) . . ?
C2 C1 B6 61.83(10) . . ?
B4 C1 B3 63.23(9) . . ?
B4 C1 B5 64.47(9) . . ?
B4 C1 B6 116.23(11) . . ?
B5 C1 B3 115.49(11) . . ?
B5 C1 B6 62.10(10) . . ?
B6 C1 B3 114.20(11) . . ?
C1 C2 H2 121.3 . . ?
C1 C2 B3 62.65(9) . . ?
C1 C2 B6 61.02(9) . . ?
C1 C2 B7 110.08(12) . . ?
C1 C2 B8 110.31(11) . . ?
B3 C2 H2 117.5 . . ?
B3 C2 B6 115.41(11) . . ?
B3 C2 B8 61.14(9) . . ?
B6 C2 H2 117.1 . . ?
B6 C2 B8 114.45(12) . . ?
B7 C2 H2 119.3 . . ?
B7 C2 B3 113.35(12) . . ?
B7 C2 B6 62.64(10) . . ?
B7 C2 B8 62.45(10) . . ?
B8 C2 H2 119.4 . . ?
O1 C3 C4 114.50(12) . . ?
N1 C3 O1 121.03(12) . . ?
N1 C3 C4 124.47(13) . . ?
O2 C4 C3 116.88(12) . . ?
C5 C4 O2 110.61(12) . . ?
C5 C4 C3 132.49(14) . . ?
C4 C5 H5 126.9 . . ?
C4 C5 C6 106.10(14) . . ?
C6 C5 H5 126.9 . . ?
C5 C6 H6 126.7 . . ?
C7 C6 C5 106.56(14) . . ?
C7 C6 H6 126.7 . . ?
O2 C7 H7 124.5 . . ?
C6 C7 O2 110.98(13) . . ?
C6 C7 H7 124.5 . . ?
C1 B3 H3 126.0 . . ?
C1 B3 B4 56.09(8) . . ?
C1 B3 B8 104.94(11) . . ?
C1 B3 B9 103.65(11) . . ?
C2 B3 C1 56.92(9) . . ?
C2 B3 H3 123.9 . . ?
C2 B3 B4 103.28(11) . . ?
C2 B3 B8 60.01(9) . . ?
C2 B3 B9 106.89(11) . . ?
B4 B3 H3 123.4 . . ?
B8 B3 H3 120.8 . . ?
B8 B3 B4 108.50(12) . . ?
B8 B3 B9 61.59(10) . . ?
B9 B3 H3 121.9 . . ?
B9 B3 B4 60.16(10) . . ?
O1 B4 C1 100.64(11) . . ?
O1 B4 B3 110.97(12) . . ?
O1 B4 B5 113.38(12) . . ?
O1 B4 B9 137.63(12) . . ?
O1 B4 B10 139.73(12) . . ?
C1 B4 B3 60.68(9) . . ?
C1 B4 B5 58.98(9) . . ?
C1 B4 B9 106.58(11) . . ?
C1 B4 B10 105.50(11) . . ?
B3 B4 B5 109.08(11) . . ?
B9 B4 B3 59.34(10) . . ?
B9 B4 B5 108.40(11) . . ?
B9 B4 B10 61.02(10) . . ?
B10 B4 B3 108.43(11) . . ?
B10 B4 B5 59.18(10) . . ?
C1 B5 B4 56.55(8) . . ?
C1 B5 H5A 125.7 . . ?
C1 B5 B6 59.17(9) . . ?
C1 B5 B10 104.26(12) . . ?
C1 B5 B11 105.19(11) . . ?
B4 B5 H5A 122.7 . . ?
B6 B5 B4 107.21(12) . . ?
B6 B5 H5A 120.5 . . ?
B6 B5 B10 110.49(12) . . ?
B10 B5 B4 60.03(10) . . ?
B10 B5 H5A 121.1 . . ?
B11 B5 B4 108.47(12) . . ?
B11 B5 H5A 121.2 . . ?
B11 B5 B6 60.87(10) . . ?
B11 B5 B10 61.81(10) . . ?
C1 B6 C2 57.15(9) . . ?
C1 B6 B5 58.73(9) . . ?
C1 B6 H6A 125.1 . . ?
C1 B6 B7 103.35(12) . . ?
C1 B6 B11 103.56(12) . . ?
C2 B6 B5 104.85(12) . . ?
C2 B6 H6A 124.5 . . ?
C2 B6 B7 57.95(9) . . ?
C2 B6 B11 104.15(12) . . ?
B5 B6 H6A 122.3 . . ?
B5 B6 B7 106.90(12) . . ?
B5 B6 B11 59.17(10) . . ?
B7 B6 H6A 123.0 . . ?
B11 B6 H6A 123.6 . . ?
B11 B6 B7 59.75(10) . . ?
C2 B7 B6 59.41(10) . . ?
C2 B7 H7A 124.1 . . ?
C2 B7 B8 59.56(10) . . ?
C2 B7 B11 105.51(12) . . ?
C2 B7 B12 104.84(11) . . ?
B6 B7 H7A 120.9 . . ?
B6 B7 B12 108.10(12) . . ?
B8 B7 B6 109.43(11) . . ?
B8 B7 H7A 120.8 . . ?
B8 B7 B12 59.55(10) . . ?
B11 B7 B6 60.06(10) . . ?
B11 B7 H7A 122.1 . . ?
B11 B7 B8 108.55(12) . . ?
B11 B7 B12 60.08(10) . . ?
B12 B7 H7A 122.8 . . ?
C2 B8 B3 58.86(9) . . ?
C2 B8 B7 57.99(9) . . ?
C2 B8 H8 125.1 . . ?
C2 B8 B9 104.57(11) . . ?
C2 B8 B12 104.43(12) . . ?
B3 B8 B7 107.76(12) . . ?
B3 B8 H8 121.7 . . ?
B3 B8 B9 59.69(10) . . ?
B3 B8 B12 107.81(12) . . ?
B7 B8 H8 121.4 . . ?
B7 B8 B9 108.51(12) . . ?
B9 B8 H8 122.2 . . ?
B12 B8 B7 60.57(10) . . ?
B12 B8 H8 122.2 . . ?
B12 B8 B9 60.15(10) . . ?
B3 B9 B4 60.50(9) . . ?
B3 B9 B8 58.72(10) . . ?
B3 B9 H9 122.0 . . ?
B3 B9 B10 108.18(12) . . ?
B3 B9 B12 106.26(12) . . ?
B4 B9 B8 106.53(11) . . ?
B4 B9 H9 122.4 . . ?
B4 B9 B10 59.54(9) . . ?
B4 B9 B12 106.31(12) . . ?
B8 B9 H9 122.8 . . ?
B8 B9 B10 107.28(12) . . ?
B10 B9 H9 121.6 . . ?
B12 B9 B8 59.18(9) . . ?
B12 B9 H9 122.9 . . ?
B12 B9 B10 59.78(10) . . ?
B4 B10 B9 59.44(9) . . ?
B4 B10 H10 122.4 . . ?
B4 B10 B11 106.58(11) . . ?
B4 B10 B12 106.07(12) . . ?
B5 B10 B4 60.79(9) . . ?
B5 B10 B9 108.43(12) . . ?
B5 B10 H10 121.8 . . ?
B5 B10 B11 58.61(10) . . ?
B5 B10 B12 106.39(12) . . ?
B9 B10 H10 121.6 . . ?
B11 B10 B9 107.40(12) . . ?
B11 B10 H10 122.7 . . ?
B12 B10 B9 59.58(10) . . ?
B12 B10 H10 123.0 . . ?
B12 B10 B11 59.43(10) . . ?
B5 B11 B6 59.97(10) . . ?
B5 B11 B7 107.88(12) . . ?
B5 B11 B10 59.58(10) . . ?
B5 B11 H11 122.2 . . ?
B5 B11 B12 107.55(12) . . ?
B6 B11 B10 108.00(12) . . ?
B6 B11 H11 121.5 . . ?
B6 B11 B12 108.46(12) . . ?
B7 B11 B6 60.19(10) . . ?
B7 B11 B10 108.25(12) . . ?
B7 B11 H11 121.4 . . ?
B7 B11 B12 60.41(10) . . ?
B10 B11 H11 121.8 . . ?
B12 B11 B10 59.92(10) . . ?
B12 B11 H11 121.6 . . ?
B7 B12 B10 108.10(12) . . ?
B7 B12 H12 122.1 . . ?
B8 B12 B7 59.87(10) . . ?
B8 B12 B9 60.67(10) . . ?
B8 B12 B10 109.16(12) . . ?
B8 B12 B11 108.34(12) . . ?
B8 B12 H12 121.2 . . ?
B9 B12 B7 108.36(11) . . ?
B9 B12 B10 60.64(10) . . ?
B9 B12 H12 120.9 . . ?
B10 B12 H12 121.1 . . ?
B11 B12 B7 59.51(10) . . ?
B11 B12 B9 109.21(12) . . ?
B11 B12 B10 60.64(10) . . ?
B11 B12 H12 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 C3 1.3607(16) . ?
O1 B4 1.4399(18) . ?
O2 C4 1.3633(17) . ?
O2 C7 1.3622(18) . ?
N1 C1 1.4230(18) . ?
N1 C3 1.2949(19) . ?
C1 C2 1.6415(19) . ?
C1 B3 1.740(2) . ?
C1 B4 1.6563(19) . ?
C1 B5 1.701(2) . ?
C1 B6 1.709(2) . ?
C2 H2 1.1100 . ?
C2 B3 1.704(2) . ?
C2 B6 1.722(2) . ?
C2 B7 1.696(2) . ?
C2 B8 1.724(2) . ?
C3 C4 1.4429(19) . ?
C4 C5 1.351(2) . ?
C5 H5 0.9400 . ?
C5 C6 1.417(2) . ?
C6 H6 0.9400 . ?
C6 C7 1.338(2) . ?
C7 H7 0.9400 . ?
B3 H3 1.1100 . ?
B3 B4 1.782(2) . ?
B3 B8 1.743(2) . ?
B3 B9 1.761(2) . ?
B4 B5 1.791(2) . ?
B4 B9 1.776(2) . ?
B4 B10 1.778(2) . ?
B5 H5A 1.1100 . ?
B5 B6 1.759(2) . ?
B5 B10 1.762(3) . ?
B5 B11 1.745(2) . ?
B6 H6A 1.1100 . ?
B6 B7 1.777(3) . ?
B6 B11 1.775(3) . ?
B7 H7A 1.1100 . ?
B7 B8 1.773(2) . ?
B7 B11 1.769(2) . ?
B7 B12 1.785(2) . ?
B8 H8 1.1100 . ?
B8 B9 1.794(2) . ?
B8 B12 1.767(2) . ?
B9 H9 1.1100 . ?
B9 B10 1.804(3) . ?
B9 B12 1.785(2) . ?
B10 H10 1.1100 . ?
B10 B11 1.801(2) . ?
B10 B12 1.789(2) . ?
B11 H11 1.1100 . ?
B11 B12 1.780(3) . ?
B12 H12 1.1100 . ?
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
O1 C3 C4 O2 -174.08(11) . . . . ?
O1 C3 C4 C5 7.7(2) . . . . ?
O1 B4 B5 C1 88.56(12) . . . . ?
O1 B4 B5 B6 120.61(13) . . . . ?
O1 B4 B5 B10 -135.24(13) . . . . ?
O1 B4 B5 B11 -175.11(12) . . . . ?
O1 B4 B9 B3 -88.14(19) . . . . ?
O1 B4 B9 B8 -125.94(17) . . . . ?
O1 B4 B9 B10 133.40(19) . . . . ?
O1 B4 B9 B12 172.10(16) . . . . ?
O1 B4 B10 B5 90.6(2) . . . . ?
O1 B4 B10 B9 -130.7(2) . . . . ?
O1 B4 B10 B11 128.51(18) . . . . ?
O1 B4 B10 B12 -169.29(17) . . . . ?
O2 C4 C5 C6 -0.08(18) . . . . ?
N1 C1 C2 B3 95.48(16) . . . . ?
N1 C1 C2 B6 -117.52(16) . . . . ?
N1 C1 C2 B7 -157.91(14) . . . . ?
N1 C1 C2 B8 135.04(14) . . . . ?
N1 C1 B3 C2 -122.41(13) . . . . ?
N1 C1 B3 B4 97.40(12) . . . . ?
N1 C1 B3 B8 -160.11(12) . . . . ?
N1 C1 B3 B9 136.13(12) . . . . ?
N1 C1 B4 O1 1.54(14) . . . . ?
N1 C1 B4 B3 -106.65(12) . . . . ?
N1 C1 B4 B5 112.52(12) . . . . ?
N1 C1 B4 B9 -145.63(12) . . . . ?
N1 C1 B4 B10 150.61(12) . . . . ?
N1 C1 B5 B4 -95.64(13) . . . . ?
N1 C1 B5 B6 120.54(14) . . . . ?
N1 C1 B5 B10 -133.86(12) . . . . ?
N1 C1 B5 B11 161.99(12) . . . . ?
N1 C1 B6 C2 117.93(16) . . . . ?
N1 C1 B6 B5 -103.57(16) . . . . ?
N1 C1 B6 B7 154.57(13) . . . . ?
N1 C1 B6 B11 -143.81(14) . . . . ?
N1 C3 C4 O2 6.4(2) . . . . ?
N1 C3 C4 C5 -171.78(16) . . . . ?
C1 N1 C3 O1 0.13(18) . . . . ?
C1 N1 C3 C4 179.60(13) . . . . ?
C1 C2 B3 B4 33.09(10) . . . . ?
C1 C2 B3 B8 136.99(12) . . . . ?
C1 C2 B3 B9 95.54(12) . . . . ?
C1 C2 B6 B5 -35.87(11) . . . . ?
C1 C2 B6 B7 -136.75(12) . . . . ?
C1 C2 B6 B11 -97.18(12) . . . . ?
C1 C2 B7 B6 39.65(11) . . . . ?
C1 C2 B7 B8 -103.07(13) . . . . ?
C1 C2 B7 B11 -0.37(16) . . . . ?
C1 C2 B7 B12 -62.86(15) . . . . ?
C1 C2 B8 B3 -40.24(11) . . . . ?
C1 C2 B8 B7 102.70(13) . . . . ?
C1 C2 B8 B9 -0.27(15) . . . . ?
C1 C2 B8 B12 62.08(14) . . . . ?
C1 B3 B4 O1 -90.66(12) . . . . ?
C1 B3 B4 B5 34.95(10) . . . . ?
C1 B3 B4 B9 135.51(12) . . . . ?
C1 B3 B4 B10 97.81(12) . . . . ?
C1 B3 B8 C2 36.27(10) . . . . ?
C1 B3 B8 B7 3.81(15) . . . . ?
C1 B3 B8 B9 -97.66(12) . . . . ?
C1 B3 B8 B12 -60.15(15) . . . . ?
C1 B3 B9 B4 -36.76(10) . . . . ?
C1 B3 B9 B8 99.81(12) . . . . ?
C1 B3 B9 B10 0.23(14) . . . . ?
C1 B3 B9 B12 63.09(14) . . . . ?
C1 B4 B5 B6 32.05(11) . . . . ?
C1 B4 B5 B10 136.20(12) . . . . ?
C1 B4 B5 B11 96.33(12) . . . . ?
C1 B4 B9 B3 39.61(11) . . . . ?
C1 B4 B9 B8 1.81(15) . . . . ?
C1 B4 B9 B10 -98.85(12) . . . . ?
C1 B4 B9 B12 -60.15(14) . . . . ?
C1 B4 B10 B5 -38.00(11) . . . . ?
C1 B4 B10 B9 100.65(12) . . . . ?
C1 B4 B10 B11 -0.09(15) . . . . ?
C1 B4 B10 B12 62.11(14) . . . . ?
C1 B5 B6 C2 35.16(10) . . . . ?
C1 B5 B6 B7 95.61(13) . . . . ?
C1 B5 B6 B11 132.99(13) . . . . ?
C1 B5 B10 B4 36.58(10) . . . . ?
C1 B5 B10 B9 -0.27(15) . . . . ?
C1 B5 B10 B11 -99.82(12) . . . . ?
C1 B5 B10 B12 -62.99(14) . . . . ?
C1 B5 B11 B6 -40.60(11) . . . . ?
C1 B5 B11 B7 -2.79(16) . . . . ?
C1 B5 B11 B10 98.28(12) . . . . ?
C1 B5 B11 B12 60.97(15) . . . . ?
C1 B6 B7 C2 -36.27(10) . . . . ?
C1 B6 B7 B8 -2.64(15) . . . . ?
C1 B6 B7 B11 98.08(12) . . . . ?
C1 B6 B7 B12 60.61(14) . . . . ?
C1 B6 B11 B5 40.03(11) . . . . ?
C1 B6 B11 B7 -97.72(12) . . . . ?
C1 B6 B11 B10 3.43(16) . . . . ?
C1 B6 B11 B12 -60.01(15) . . . . ?
C2 C1 B3 B4 -140.18(12) . . . . ?
C2 C1 B3 B8 -37.69(11) . . . . ?
C2 C1 B3 B9 -101.46(12) . . . . ?
C2 C1 B4 O1 145.10(11) . . . . ?
C2 C1 B4 B3 36.91(11) . . . . ?
C2 C1 B4 B5 -103.92(12) . . . . ?
C2 C1 B4 B9 -2.07(15) . . . . ?
C2 C1 B4 B10 -65.83(14) . . . . ?
C2 C1 B5 B4 105.02(12) . . . . ?
C2 C1 B5 B6 -38.81(12) . . . . ?
C2 C1 B5 B10 66.80(14) . . . . ?
C2 C1 B5 B11 2.65(16) . . . . ?
C2 C1 B6 B5 138.51(12) . . . . ?
C2 C1 B6 B7 36.64(10) . . . . ?
C2 C1 B6 B11 98.26(13) . . . . ?
C2 B3 B4 O1 -124.12(12) . . . . ?
C2 B3 B4 C1 -33.45(10) . . . . ?
C2 B3 B4 B5 1.49(14) . . . . ?
C2 B3 B4 B9 102.05(12) . . . . ?
C2 B3 B4 B10 64.35(14) . . . . ?
C2 B3 B8 B7 -32.45(11) . . . . ?
C2 B3 B8 B9 -133.93(12) . . . . ?
C2 B3 B8 B12 -96.42(13) . . . . ?
C2 B3 B9 B4 -95.88(12) . . . . ?
C2 B3 B9 B8 40.69(11) . . . . ?
C2 B3 B9 B10 -58.89(14) . . . . ?
C2 B3 B9 B12 3.97(15) . . . . ?
C2 B6 B7 B8 33.63(11) . . . . ?
C2 B6 B7 B11 134.35(12) . . . . ?
C2 B6 B7 B12 96.88(13) . . . . ?
C2 B6 B11 B5 99.05(12) . . . . ?
C2 B6 B11 B7 -38.69(11) . . . . ?
C2 B6 B11 B10 62.46(15) . . . . ?
C2 B6 B11 B12 -0.99(15) . . . . ?
C2 B7 B8 B3 32.79(11) . . . . ?
C2 B7 B8 B9 95.95(12) . . . . ?
C2 B7 B8 B12 133.63(12) . . . . ?
C2 B7 B11 B5 1.99(16) . . . . ?
C2 B7 B11 B6 39.71(11) . . . . ?
C2 B7 B11 B10 -61.02(15) . . . . ?
C2 B7 B11 B12 -98.45(12) . . . . ?
C2 B7 B12 B8 -40.21(11) . . . . ?
C2 B7 B12 B9 -2.33(16) . . . . ?
C2 B7 B12 B10 61.89(15) . . . . ?
C2 B7 B12 B11 99.60(13) . . . . ?
C2 B8 B9 B3 -39.56(11) . . . . ?
C2 B8 B9 B4 -0.94(15) . . . . ?
C2 B8 B9 B10 61.58(14) . . . . ?
C2 B8 B9 B12 98.50(12) . . . . ?
C2 B8 B12 B7 39.33(10) . . . . ?
C2 B8 B12 B9 -98.73(12) . . . . ?
C2 B8 B12 B10 -60.96(14) . . . . ?
C2 B8 B12 B11 3.47(15) . . . . ?
C3 O1 B4 C1 -1.42(13) . . . . ?
C3 O1 B4 B3 61.09(14) . . . . ?
C3 O1 B4 B5 -62.08(14) . . . . ?
C3 O1 B4 B9 128.13(17) . . . . ?
C3 O1 B4 B10 -131.39(18) . . . . ?
C3 N1 C1 C2 -136.70(14) . . . . ?
C3 N1 C1 B3 -68.02(14) . . . . ?
C3 N1 C1 B4 -1.04(15) . . . . ?
C3 N1 C1 B5 67.95(15) . . . . ?
C3 N1 C1 B6 142.13(14) . . . . ?
C3 C4 C5 C6 178.21(16) . . . . ?
C4 O2 C7 C6 0.42(18) . . . . ?
C4 C5 C6 C7 0.33(19) . . . . ?
C5 C6 C7 O2 -0.47(19) . . . . ?
C7 O2 C4 C3 -178.78(13) . . . . ?
C7 O2 C4 C5 -0.20(17) . . . . ?
B3 C1 C2 B6 147.00(12) . . . . ?
B3 C1 C2 B7 106.62(13) . . . . ?
B3 C1 C2 B8 39.57(11) . . . . ?
B3 C1 B4 O1 108.19(12) . . . . ?
B3 C1 B4 B5 -140.83(11) . . . . ?
B3 C1 B4 B9 -38.97(11) . . . . ?
B3 C1 B4 B10 -102.74(12) . . . . ?
B3 C1 B5 B4 38.67(11) . . . . ?
B3 C1 B5 B6 -105.15(13) . . . . ?
B3 C1 B5 B10 0.45(15) . . . . ?
B3 C1 B5 B11 -63.70(15) . . . . ?
B3 C1 B6 C2 -31.29(11) . . . . ?
B3 C1 B6 B5 107.22(13) . . . . ?
B3 C1 B6 B7 5.35(15) . . . . ?
B3 C1 B6 B11 66.97(15) . . . . ?
B3 C2 B6 C1 32.38(11) . . . . ?
B3 C2 B6 B5 -3.48(16) . . . . ?
B3 C2 B6 B7 -104.37(13) . . . . ?
B3 C2 B6 B11 -64.80(15) . . . . ?
B3 C2 B7 B6 107.63(13) . . . . ?
B3 C2 B7 B8 -35.09(12) . . . . ?
B3 C2 B7 B11 67.61(15) . . . . ?
B3 C2 B7 B12 5.11(16) . . . . ?
B3 C2 B8 B7 142.94(12) . . . . ?
B3 C2 B8 B9 39.98(11) . . . . ?
B3 C2 B8 B12 102.33(12) . . . . ?
B3 B4 B5 C1 -35.64(11) . . . . ?
B3 B4 B5 B6 -3.60(15) . . . . ?
B3 B4 B5 B10 100.55(12) . . . . ?
B3 B4 B5 B11 60.69(15) . . . . ?
B3 B4 B9 B8 -37.80(11) . . . . ?
B3 B4 B9 B10 -138.45(12) . . . . ?
B3 B4 B9 B12 -99.76(13) . . . . ?
B3 B4 B10 B5 -101.68(12) . . . . ?
B3 B4 B10 B9 36.97(11) . . . . ?
B3 B4 B10 B11 -63.78(15) . . . . ?
B3 B4 B10 B12 -1.58(16) . . . . ?
B3 B8 B9 B4 38.62(11) . . . . ?
B3 B8 B9 B10 101.14(12) . . . . ?
B3 B8 B9 B12 138.06(13) . . . . ?
B3 B8 B12 B7 100.76(13) . . . . ?
B3 B8 B12 B9 -37.30(11) . . . . ?
B3 B8 B12 B10 0.47(17) . . . . ?
B3 B8 B12 B11 64.90(15) . . . . ?
B3 B9 B10 B4 -37.41(11) . . . . ?
B3 B9 B10 B5 0.02(16) . . . . ?
B3 B9 B10 B11 61.93(15) . . . . ?
B3 B9 B10 B12 98.61(13) . . . . ?
B3 B9 B12 B7 -1.01(16) . . . . ?
B3 B9 B12 B8 36.51(11) . . . . ?
B3 B9 B12 B10 -101.90(13) . . . . ?
B3 B9 B12 B11 -64.23(15) . . . . ?
B4 O1 C3 N1 1.00(17) . . . . ?
B4 O1 C3 C4 -178.53(12) . . . . ?
B4 C1 C2 B3 -38.06(11) . . . . ?
B4 C1 C2 B6 108.94(13) . . . . ?
B4 C1 C2 B7 68.56(15) . . . . ?
B4 C1 C2 B8 1.51(16) . . . . ?
B4 C1 B3 C2 140.18(12) . . . . ?
B4 C1 B3 B8 102.49(13) . . . . ?
B4 C1 B3 B9 38.72(10) . . . . ?
B4 C1 B5 B6 -143.82(12) . . . . ?
B4 C1 B5 B10 -38.22(10) . . . . ?
B4 C1 B5 B11 -102.37(13) . . . . ?
B4 C1 B6 C2 -102.08(13) . . . . ?
B4 C1 B6 B5 36.43(12) . . . . ?
B4 C1 B6 B7 -65.44(15) . . . . ?
B4 C1 B6 B11 -3.82(17) . . . . ?
B4 B3 B8 C2 94.96(12) . . . . ?
B4 B3 B8 B7 62.51(15) . . . . ?
B4 B3 B8 B9 -38.96(11) . . . . ?
B4 B3 B8 B12 -1.45(16) . . . . ?
B4 B3 B9 B8 136.57(12) . . . . ?
B4 B3 B9 B10 37.00(11) . . . . ?
B4 B3 B9 B12 99.86(13) . . . . ?
B4 B5 B6 C1 -31.04(10) . . . . ?
B4 B5 B6 C2 4.12(15) . . . . ?
B4 B5 B6 B7 64.57(15) . . . . ?
B4 B5 B6 B11 101.95(13) . . . . ?
B4 B5 B10 B9 -36.84(11) . . . . ?
B4 B5 B10 B11 -136.39(12) . . . . ?
B4 B5 B10 B12 -99.56(13) . . . . ?
B4 B5 B11 B6 -99.84(13) . . . . ?
B4 B5 B11 B7 -62.02(16) . . . . ?
B4 B5 B11 B10 39.05(11) . . . . ?
B4 B5 B11 B12 1.74(16) . . . . ?
B4 B9 B10 B5 37.43(11) . . . . ?
B4 B9 B10 B11 99.34(12) . . . . ?
B4 B9 B10 B12 136.02(12) . . . . ?
B4 B9 B12 B7 62.30(15) . . . . ?
B4 B9 B12 B8 99.83(13) . . . . ?
B4 B9 B12 B10 -38.58(11) . . . . ?
B4 B9 B12 B11 -0.92(16) . . . . ?
B4 B10 B11 B5 -38.91(11) . . . . ?
B4 B10 B11 B6 -2.15(17) . . . . ?
B4 B10 B11 B7 61.54(15) . . . . ?
B4 B10 B11 B12 99.19(13) . . . . ?
B4 B10 B12 B7 -62.85(15) . . . . ?
B4 B10 B12 B8 0.70(16) . . . . ?
B4 B10 B12 B9 38.48(11) . . . . ?
B4 B10 B12 B11 -100.06(13) . . . . ?
B5 C1 C2 B3 -108.08(12) . . . . ?
B5 C1 C2 B6 38.92(12) . . . . ?
B5 C1 C2 B7 -1.46(16) . . . . ?
B5 C1 C2 B8 -68.51(15) . . . . ?
B5 C1 B3 C2 101.03(13) . . . . ?
B5 C1 B3 B4 -39.16(11) . . . . ?
B5 C1 B3 B8 63.33(15) . . . . ?
B5 C1 B3 B9 -0.44(15) . . . . ?
B5 C1 B4 O1 -110.98(12) . . . . ?
B5 C1 B4 B3 140.83(11) . . . . ?
B5 C1 B4 B9 101.85(12) . . . . ?
B5 C1 B4 B10 38.09(11) . . . . ?
B5 C1 B6 C2 -138.51(12) . . . . ?
B5 C1 B6 B7 -101.86(13) . . . . ?
B5 C1 B6 B11 -40.25(11) . . . . ?
B5 B4 B9 B3 101.73(12) . . . . ?
B5 B4 B9 B8 63.93(15) . . . . ?
B5 B4 B9 B10 -36.72(11) . . . . ?
B5 B4 B9 B12 1.97(15) . . . . ?
B5 B4 B10 B9 138.65(12) . . . . ?
B5 B4 B10 B11 37.90(11) . . . . ?
B5 B4 B10 B12 100.10(13) . . . . ?
B5 B6 B7 C2 -97.23(12) . . . . ?
B5 B6 B7 B8 -63.60(15) . . . . ?
B5 B6 B7 B11 37.12(12) . . . . ?
B5 B6 B7 B12 -0.34(16) . . . . ?
B5 B6 B11 B7 -137.74(13) . . . . ?
B5 B6 B11 B10 -36.60(12) . . . . ?
B5 B6 B11 B12 -100.04(13) . . . . ?
B5 B10 B11 B6 36.77(12) . . . . ?
B5 B10 B11 B7 100.45(13) . . . . ?
B5 B10 B11 B12 138.10(12) . . . . ?
B5 B10 B12 B7 0.75(16) . . . . ?
B5 B10 B12 B8 64.30(15) . . . . ?
B5 B10 B12 B9 102.08(12) . . . . ?
B5 B10 B12 B11 -36.46(11) . . . . ?
B5 B11 B12 B7 -101.00(13) . . . . ?
B5 B11 B12 B8 -64.98(15) . . . . ?
B5 B11 B12 B9 -0.51(16) . . . . ?
B5 B11 B12 B10 37.16(11) . . . . ?
B6 C1 C2 B3 -147.00(12) . . . . ?
B6 C1 C2 B7 -40.38(12) . . . . ?
B6 C1 C2 B8 -107.43(13) . . . . ?
B6 C1 B3 C2 31.76(12) . . . . ?
B6 C1 B3 B4 -108.42(13) . . . . ?
B6 C1 B3 B8 -5.93(16) . . . . ?
B6 C1 B3 B9 -69.70(14) . . . . ?
B6 C1 B4 O1 -146.54(12) . . . . ?
B6 C1 B4 B3 105.27(13) . . . . ?
B6 C1 B4 B5 -35.56(12) . . . . ?
B6 C1 B4 B9 66.29(15) . . . . ?
B6 C1 B4 B10 2.53(16) . . . . ?
B6 C1 B5 B4 143.82(12) . . . . ?
B6 C1 B5 B10 105.60(13) . . . . ?
B6 C1 B5 B11 41.46(12) . . . . ?
B6 C2 B3 C1 -31.84(11) . . . . ?
B6 C2 B3 B4 1.26(15) . . . . ?
B6 C2 B3 B8 105.15(13) . . . . ?
B6 C2 B3 B9 63.70(15) . . . . ?
B6 C2 B7 B8 -142.72(12) . . . . ?
B6 C2 B7 B11 -40.03(12) . . . . ?
B6 C2 B7 B12 -102.52(13) . . . . ?
B6 C2 B8 B3 -106.71(13) . . . . ?
B6 C2 B8 B7 36.23(12) . . . . ?
B6 C2 B8 B9 -66.74(14) . . . . ?
B6 C2 B8 B12 -4.39(15) . . . . ?
B6 B5 B10 B4 98.57(13) . . . . ?
B6 B5 B10 B9 61.73(15) . . . . ?
B6 B5 B10 B11 -37.82(12) . . . . ?
B6 B5 B10 B12 -0.99(16) . . . . ?
B6 B5 B11 B7 37.81(12) . . . . ?
B6 B5 B11 B10 138.89(13) . . . . ?
B6 B5 B11 B12 101.58(13) . . . . ?
B6 B7 B8 C2 -33.57(11) . . . . ?
B6 B7 B8 B3 -0.77(16) . . . . ?
B6 B7 B8 B9 62.38(15) . . . . ?
B6 B7 B8 B12 100.07(13) . . . . ?
B6 B7 B11 B5 -37.72(12) . . . . ?
B6 B7 B11 B10 -100.72(13) . . . . ?
B6 B7 B11 B12 -138.16(12) . . . . ?
B6 B7 B12 B8 -102.35(13) . . . . ?
B6 B7 B12 B9 -64.48(16) . . . . ?
B6 B7 B12 B10 -0.26(16) . . . . ?
B6 B7 B12 B11 37.46(11) . . . . ?
B6 B11 B12 B7 -37.60(11) . . . . ?
B6 B11 B12 B8 -1.58(16) . . . . ?
B6 B11 B12 B9 62.88(15) . . . . ?
B6 B11 B12 B10 100.55(13) . . . . ?
B7 C2 B3 C1 -101.40(13) . . . . ?
B7 C2 B3 B4 -68.31(14) . . . . ?
B7 C2 B3 B8 35.59(12) . . . . ?
B7 C2 B3 B9 -5.87(16) . . . . ?
B7 C2 B6 C1 136.75(12) . . . . ?
B7 C2 B6 B5 100.89(13) . . . . ?
B7 C2 B6 B11 39.57(11) . . . . ?
B7 C2 B8 B3 -142.94(12) . . . . ?
B7 C2 B8 B9 -102.96(13) . . . . ?
B7 C2 B8 B12 -40.61(11) . . . . ?
B7 B6 B11 B5 137.74(13) . . . . ?
B7 B6 B11 B10 101.14(13) . . . . ?
B7 B6 B11 B12 37.70(11) . . . . ?
B7 B8 B9 B3 -100.19(13) . . . . ?
B7 B8 B9 B4 -61.57(15) . . . . ?
B7 B8 B9 B10 0.95(16) . . . . ?
B7 B8 B9 B12 37.87(11) . . . . ?
B7 B8 B12 B9 -138.06(12) . . . . ?
B7 B8 B12 B10 -100.29(13) . . . . ?
B7 B8 B12 B11 -35.86(11) . . . . ?
B7 B11 B12 B8 36.02(11) . . . . ?
B7 B11 B12 B9 100.49(13) . . . . ?
B7 B11 B12 B10 138.15(12) . . . . ?
B8 C2 B3 C1 -136.99(12) . . . . ?
B8 C2 B3 B4 -103.90(12) . . . . ?
B8 C2 B3 B9 -41.45(12) . . . . ?
B8 C2 B6 C1 100.60(12) . . . . ?
B8 C2 B6 B5 64.74(15) . . . . ?
B8 C2 B6 B7 -36.15(11) . . . . ?
B8 C2 B6 B11 3.42(15) . . . . ?
B8 C2 B7 B6 142.72(12) . . . . ?
B8 C2 B7 B11 102.69(13) . . . . ?
B8 C2 B7 B12 40.20(11) . . . . ?
B8 B3 B4 O1 173.44(12) . . . . ?
B8 B3 B4 C1 -95.90(13) . . . . ?
B8 B3 B4 B5 -60.95(15) . . . . ?
B8 B3 B4 B9 39.61(11) . . . . ?
B8 B3 B4 B10 1.91(16) . . . . ?
B8 B3 B9 B4 -136.57(12) . . . . ?
B8 B3 B9 B10 -99.57(13) . . . . ?
B8 B3 B9 B12 -36.71(11) . . . . ?
B8 B7 B11 B5 64.51(16) . . . . ?
B8 B7 B11 B6 102.22(13) . . . . ?
B8 B7 B11 B10 1.50(16) . . . . ?
B8 B7 B11 B12 -35.93(11) . . . . ?
B8 B7 B12 B9 37.87(12) . . . . ?
B8 B7 B12 B10 102.09(13) . . . . ?
B8 B7 B12 B11 139.81(12) . . . . ?
B8 B9 B10 B4 -99.37(12) . . . . ?
B8 B9 B10 B5 -61.94(14) . . . . ?
B8 B9 B10 B11 -0.03(15) . . . . ?
B8 B9 B10 B12 36.65(11) . . . . ?
B8 B9 B12 B7 -37.52(12) . . . . ?
B8 B9 B12 B10 -138.41(13) . . . . ?
B8 B9 B12 B11 -100.74(13) . . . . ?
B9 B3 B4 O1 133.83(13) . . . . ?
B9 B3 B4 C1 -135.51(12) . . . . ?
B9 B3 B4 B5 -100.56(12) . . . . ?
B9 B3 B4 B10 -37.70(12) . . . . ?
B9 B3 B8 C2 133.93(12) . . . . ?
B9 B3 B8 B7 101.47(13) . . . . ?
B9 B3 B8 B12 37.51(12) . . . . ?
B9 B4 B5 C1 -98.67(12) . . . . ?
B9 B4 B5 B6 -66.62(15) . . . . ?
B9 B4 B5 B10 37.52(11) . . . . ?
B9 B4 B5 B11 -2.34(16) . . . . ?
B9 B4 B10 B5 -138.65(12) . . . . ?
B9 B4 B10 B11 -100.75(13) . . . . ?
B9 B4 B10 B12 -38.55(11) . . . . ?
B9 B8 B12 B7 138.06(12) . . . . ?
B9 B8 B12 B10 37.77(12) . . . . ?
B9 B8 B12 B11 102.20(13) . . . . ?
B9 B10 B11 B5 -101.35(12) . . . . ?
B9 B10 B11 B6 -64.58(15) . . . . ?
B9 B10 B11 B7 -0.90(16) . . . . ?
B9 B10 B11 B12 36.75(11) . . . . ?
B9 B10 B12 B7 -101.33(13) . . . . ?
B9 B10 B12 B8 -37.78(12) . . . . ?
B9 B10 B12 B11 -138.54(12) . . . . ?
B10 B4 B5 C1 -136.20(12) . . . . ?
B10 B4 B5 B6 -104.15(13) . . . . ?
B10 B4 B5 B11 -39.86(11) . . . . ?
B10 B4 B9 B3 138.45(12) . . . . ?
B10 B4 B9 B8 100.65(13) . . . . ?
B10 B4 B9 B12 38.69(11) . . . . ?
B10 B5 B6 C1 -94.77(13) . . . . ?
B10 B5 B6 C2 -59.61(15) . . . . ?
B10 B5 B6 B7 0.84(16) . . . . ?
B10 B5 B6 B11 38.22(12) . . . . ?
B10 B5 B11 B6 -138.88(13) . . . . ?
B10 B5 B11 B7 -101.07(14) . . . . ?
B10 B5 B11 B12 -37.31(12) . . . . ?
B10 B9 B12 B7 100.89(13) . . . . ?
B10 B9 B12 B8 138.41(13) . . . . ?
B10 B9 B12 B11 37.67(12) . . . . ?
B10 B11 B12 B7 -138.15(12) . . . . ?
B10 B11 B12 B8 -102.14(12) . . . . ?
B10 B11 B12 B9 -37.67(12) . . . . ?
B11 B5 B6 C1 -132.99(13) . . . . ?
B11 B5 B6 C2 -97.83(13) . . . . ?
B11 B5 B6 B7 -37.38(12) . . . . ?
B11 B5 B10 B4 136.39(12) . . . . ?
B11 B5 B10 B9 99.55(13) . . . . ?
B11 B5 B10 B12 36.83(11) . . . . ?
B11 B6 B7 C2 -134.35(12) . . . . ?
B11 B6 B7 B8 -100.72(13) . . . . ?
B11 B6 B7 B12 -37.47(11) . . . . ?
B11 B7 B8 C2 -97.48(13) . . . . ?
B11 B7 B8 B3 -64.68(15) . . . . ?
B11 B7 B8 B9 -1.53(16) . . . . ?
B11 B7 B8 B12 36.16(12) . . . . ?
B11 B7 B12 B8 -139.81(12) . . . . ?
B11 B7 B12 B9 -101.93(13) . . . . ?
B11 B7 B12 B10 -37.72(12) . . . . ?
B11 B10 B12 B7 37.21(11) . . . . ?
B11 B10 B12 B8 100.76(13) . . . . ?
B11 B10 B12 B9 138.54(12) . . . . ?
B12 B7 B8 C2 -133.63(12) . . . . ?
B12 B7 B8 B3 -100.84(13) . . . . ?
B12 B7 B8 B9 -37.68(11) . . . . ?
B12 B7 B11 B5 100.44(13) . . . . ?
B12 B7 B11 B6 138.16(12) . . . . ?
B12 B7 B11 B10 37.43(11) . . . . ?
B12 B8 B9 B3 -138.06(13) . . . . ?
B12 B8 B9 B4 -99.44(13) . . . . ?
B12 B8 B9 B10 -36.92(12) . . . . ?
B12 B9 B10 B4 -136.02(12) . . . . ?
B12 B9 B10 B5 -98.59(13) . . . . ?
B12 B9 B10 B11 -36.68(11) . . . . ?
B12 B10 B11 B5 -138.10(12) . . . . ?
B12 B10 B11 B6 -101.33(13) . . . . ?
B12 B10 B11 B7 -37.65(11) . . . . ?
