# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

data_DoPr003

# 1. Submission Details


_publ_contact_author_name         'Prof. Dr. Holger Braunschweig'
_publ_contact_author_address
;
Institut für Anorganische Chemie
Universität Würzburg
Am Hubland
97074 Würzburg, Germany
;
_publ_contact_author_email        H.Braunschweig@uni-wuerzburg.de
_publ_contact_author_fax          +49-931-3184623
_publ_contact_author_phone        +49-931-3185260
_publ_requested_journal           ?
_publ_section_title               ?
_publ_section_abstract            ?

loop_
_publ_author_name
'Braunschweig, Holger'
;  Institut fuer Anorganische Chemie
   Universitaet Wuerzburg
   Am Hubland
   D-97074 Wuerzburg, Germany
;
'Prieschl, Dominic'
;  Institut fuer Anorganische Chemie
   Universitaet Wuerzburg
   Am Hubland
   D-97074 Wuerzburg, Germany
;
'Arrowsmith, Merle'
;  Institut fuer Anorganische Chemie
   Universitaet Wuerzburg
   Am Hubland
   D-97074 Wuerzburg, Germany
;


_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C55 H49 B2 N5, 0.878(C6H6), 0.061(C6 H14)'
_chemical_formula_sum             'C60.63 H55.12 B2 N5'
_chemical_formula_weight          875.44

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'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       triclinic
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    16.155(4)
_cell_length_b                    17.629(3)
_cell_length_c                    18.200(4)
_cell_angle_alpha                 76.749(8)
_cell_angle_beta                  76.424(9)
_cell_angle_gamma                 74.29(2)
_cell_volume                      4773.7(18)
_cell_formula_units_Z             4
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used     9959
_cell_measurement_theta_min       2.30
_cell_measurement_theta_max       26.55
 

_exptl_special_details
;
The crystal was immersed in a film of perfluoropolyether oil, mounted on a 
polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold 
nitrogen (Oxford Cryostream 700).
;
_exptl_crystal_description        block
_exptl_crystal_colour             yellow
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.218          
_exptl_crystal_F_000              1856
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.181
_exptl_crystal_size_mid           0.178
_exptl_crystal_size_min           0.111
_exptl_absorpt_coefficient_mu     0.071
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.6662
_exptl_absorpt_correction_T_max   0.7454
_exptl_absorpt_process_details    'SadAbs 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       100(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_monochromator   'multi-layer mirror'
_diffrn_source                    'rotating-anode (Nonius FR-591)'
_diffrn_measurement_device_type   'Bruker X8-APEX II'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector                  'CCD area detector (Apex2)'
_diffrn_detector_area_resol_mean  8.333
_diffrn_reflns_number             87045
_diffrn_reflns_av_unetI/netI      0.0532
_diffrn_reflns_av_R_equivalents   0.0574
_diffrn_reflns_limit_h_min        -19
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_k_min        -21
_diffrn_reflns_limit_k_max        21
_diffrn_reflns_limit_l_min        -22
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_theta_min          1.169
_diffrn_reflns_theta_max          26.022
_diffrn_reflns_theta_full         26.000
_diffrn_measured_fraction_theta_max   1.000
_diffrn_measured_fraction_theta_full  1.000
_diffrn_reflns_Laue_measured_fraction_max    1.000
_diffrn_reflns_Laue_measured_fraction_full   1.000
_diffrn_reflns_point_group_measured_fraction_max   1.000
_diffrn_reflns_point_group_measured_fraction_full  1.000
_reflns_number_total              18816
_reflns_number_gt                 12932
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement        'Saint+ ver. V8.38A (Bruker AXS)'
_computing_data_reduction         'Saint+ ver. V8.38A (Bruker AXS)'
_computing_structure_solution     'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material   'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_special_details
;

 Refinement of F² against ALL reflections. The weighted R-factor wR and 
goodness of fit S are based on F², conventional R-factors R are based on F, 
with F set to zero for negative F². The threshold expression of F² > 
2sigma(F²) is used only for calculating R-factors(gt) etc. and is not 
relevant to the choice of reflections for refinement. R-factors based on F² 
are statistically about twice as large as those based on F, and R-factors 
based on ALL data will be even larger.

The asymmetric unit contains two benzene molecules located close to each other,
each with an occupation factor of 88% and modelled as twofold disordered in a 56:32 ratio,
as well as a hexane molecules with an occupation factor of 12% spanning the two sites. 
The benzene rings were modelled with AFIX 66 and the 1,2- and 1,3-distances in the hexane 
molecule restrained to 1.53 and 2.55 Angstrom, respectively, with DFIX. 
All ADPs within these disordered solvents were restrained with SIMU 0.003.

The asymmetric unit also contains two crystallographically distinct molecules of 2bH, 
one of which displays a twofold disorder in one of the Mes groups (RESI 12 and 13 Mes, atoms C13 > C21) in a 55:45 ratio. 
1,2- and 1,3-distances within the 2 parts of the disorder were restrained 
to similarity using SAME C13 > C21 and ADPs were restrained with SIMU 0.002.

;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0479P)²+2.3493P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    mixed
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          18816
_refine_ls_number_parameters      1443
_refine_ls_number_restraints      776
_refine_ls_R_factor_all           0.0844
_refine_ls_R_factor_gt            0.0492
_refine_ls_wR_factor_ref          0.1278
_refine_ls_wR_factor_gt           0.1102
_refine_ls_goodness_of_fit_ref    1.016
_refine_ls_restrained_S_all       1.013
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
C1_1 C 0.83293(13) 0.77025(11) -0.09886(11) 0.0247(4) Uani 1 1 d . . . . .
C2_1 C 0.74371(13) 0.79620(11) -0.11046(10) 0.0244(4) Uani 1 1 d . . . . .
C3_1 C 0.68168(13) 0.74967(11) -0.07289(10) 0.0235(4) Uani 1 1 d . . . . .
C4_1 C 0.59348(13) 0.77969(11) -0.08361(11) 0.0245(4) Uani 1 1 d . . . . .
C5_1 C 0.52500(13) 0.73996(12) -0.04507(12) 0.0284(5) Uani 1 1 d . . . . .
H5_1 H 0.538612 0.690780 -0.010778 0.034 Uiso 1 1 calc R U . . .
C6_1 C 0.44107(14) 0.76999(12) -0.05570(12) 0.0320(5) Uani 1 1 d . . . . .
H6_1 H 0.397497 0.741479 -0.029103 0.038 Uiso 1 1 calc R U . . .
C7_1 C 0.41776(14) 0.84312(12) -0.10583(13) 0.0344(5) Uani 1 1 d . . . . .
H7_1 H 0.359008 0.863396 -0.113376 0.041 Uiso 1 1 calc R U . . .
C8_1 C 0.47969(14) 0.88406(12) -0.14301(12) 0.0331(5) Uani 1 1 d . . . . .
H8_1 H 0.463638 0.933482 -0.176285 0.040 Uiso 1 1 calc R U . . .
C9_1 C 0.56847(14) 0.85472(11) -0.13338(11) 0.0283(5) Uani 1 1 d . . . . .
C10_1 C 0.63169(14) 0.89685(12) -0.17238(12) 0.0325(5) Uani 1 1 d . . . . .
H10_1 H 0.615199 0.945708 -0.206258 0.039 Uiso 1 1 calc R U . . .
C11_1 C 0.71854(14) 0.86946(12) -0.16321(11) 0.0295(5) Uani 1 1 d . . . . .
C12_1 C 0.78360(15) 0.91089(13) -0.20712(12) 0.0367(5) Uani 1 1 d . . . . .
H12_1 H 0.767339 0.960194 -0.240486 0.044 Uiso 1 1 calc R U . . .
C13_1 C 0.86845(15) 0.87991(13) -0.20123(12) 0.0360(5) Uani 1 1 d . . . . .
H13_1 H 0.912179 0.905392 -0.233559 0.043 Uiso 1 1 calc R U . . .
C14_1 C 0.89286(14) 0.80982(12) -0.14732(11) 0.0299(5) Uani 1 1 d . . . . .
H14_1 H 0.953056 0.789399 -0.144605 0.036 Uiso 1 1 calc R U . . .
C1_2 C 0.67909(12) 0.58795(11) -0.02128(10) 0.0212(4) Uani 1 1 d . . . . .
C2_2 C 0.62423(12) 0.55475(11) 0.04363(11) 0.0224(4) Uani 1 1 d . . . . .
C3_2 C 0.59495(13) 0.59020(12) 0.11063(11) 0.0276(4) Uani 1 1 d . . . . .
H3_2 H 0.613673 0.636423 0.111989 0.033 Uiso 1 1 calc R U . . .
C4_2 C 0.54067(13) 0.55953(12) 0.17297(12) 0.0308(5) Uani 1 1 d . . . . .
H4_2 H 0.522442 0.584127 0.217202 0.037 Uiso 1 1 calc R U . . .
C5_2 C 0.51151(13) 0.49129(12) 0.17191(12) 0.0307(5) Uani 1 1 d . . . . .
H5_2 H 0.472960 0.470648 0.215226 0.037 Uiso 1 1 calc R U . . .
C6_2 C 0.53803(13) 0.45504(12) 0.10969(11) 0.0282(5) Uani 1 1 d . . . . .
H6_2 H 0.518024 0.408979 0.110064 0.034 Uiso 1 1 calc R U . . .
C7_2 C 0.59554(12) 0.48474(11) 0.04348(11) 0.0232(4) Uani 1 1 d . . . . .
C8_2 C 0.62308(12) 0.44881(11) -0.02116(11) 0.0254(4) Uani 1 1 d . . . . .
H8_2 H 0.603222 0.402942 -0.021693 0.030 Uiso 1 1 calc R U . . .
C9_2 C 0.67931(12) 0.47864(11) -0.08535(11) 0.0234(4) Uani 1 1 d . . . . .
C10_2 C 0.70845(13) 0.44189(12) -0.15193(12) 0.0286(5) Uani 1 1 d . . . . .
H10_2 H 0.688466 0.396343 -0.153263 0.034 Uiso 1 1 calc R U . . .
C11_2 C 0.76404(13) 0.47092(12) -0.21313(12) 0.0305(5) Uani 1 1 d . . . . .
H11_2 H 0.782771 0.445507 -0.256852 0.037 Uiso 1 1 calc R U . . .
C12_2 C 0.79465(12) 0.53887(11) -0.21269(11) 0.0267(4) Uani 1 1 d . . . . .
H12_2 H 0.834645 0.558091 -0.255596 0.032 Uiso 1 1 calc R U . . .
C13_2 C 0.76706(12) 0.57651(11) -0.15128(10) 0.0223(4) Uani 1 1 d . . . . .
H13_2 H 0.787632 0.622386 -0.152101 0.027 Uiso 1 1 calc R U . . .
C14_2 C 0.70764(11) 0.54882(11) -0.08516(10) 0.0208(4) Uani 1 1 d . . . . .
B1_3 B 0.86259(14) 0.70308(13) -0.02782(12) 0.0219(5) Uani 1 1 d . . . . .
H1_3 H 0.9285(12) 0.6641(11) -0.0456(10) 0.022(5) Uiso 1 1 d . . . . .
B2_3 B 0.71622(14) 0.66435(13) -0.02629(12) 0.0220(5) Uani 1 1 d . . . . .
N1_4 N 0.79336(10) 0.65132(9) 0.00360(8) 0.0211(3) Uani 1 1 d . . . . .
C1_4 C 0.88075(12) 0.49318(11) 0.13964(10) 0.0224(4) Uani 1 1 d . . . . .
N2_4 N 0.80858(10) 0.57914(9) 0.05351(8) 0.0219(3) Uani 1 1 d . . . . .
C2_4 C 0.96295(13) 0.44752(11) 0.14964(11) 0.0281(5) Uani 1 1 d . . . . .
H2_4 H 1.013631 0.463190 0.118335 0.034 Uiso 1 1 calc R U . . .
N3_4 N 0.87500(10) 0.56584(9) 0.08347(9) 0.0222(3) Uani 1 1 d . . . . .
C4_4 C 0.89815(15) 0.35651(12) 0.25179(12) 0.0354(5) Uani 1 1 d . . . . .
H4_4 H 0.904095 0.309707 0.290184 0.043 Uiso 1 1 calc R U . . .
C5_4 C 0.81616(15) 0.40246(12) 0.24222(12) 0.0321(5) Uani 1 1 d . . . . .
H5_4 H 0.765713 0.387148 0.274381 0.039 Uiso 1 1 calc R U . . .
C6_4 C 0.80656(13) 0.47067(11) 0.18623(11) 0.0270(4) Uani 1 1 d . . . . .
H6_4 H 0.749893 0.501798 0.179697 0.032 Uiso 1 1 calc R U . . .
C3_4 C 0.97149(14) 0.37890(12) 0.20531(12) 0.0326(5) Uani 1 1 d . . . . .
H3_4 H 1.028034 0.347167 0.211481 0.039 Uiso 1 1 calc R U . . .
C4_5 C 1.03616(12) 0.73994(11) -0.00597(11) 0.0247(4) Uani 1 1 d . . . . .
N4_5 N 0.95493(10) 0.74836(9) 0.04882(9) 0.0246(4) Uani 1 1 d . . . . .
C5_5 C 1.05619(13) 0.80865(12) -0.05529(12) 0.0305(5) Uani 1 1 d . . . . .
N5_5 N 0.81595(10) 0.76856(9) 0.09882(9) 0.0244(4) Uani 1 1 d . . . . .
C6_5 C 1.13483(14) 0.79971(13) -0.10703(12) 0.0334(5) Uani 1 1 d . . . . .
H6_5 H 1.148515 0.845513 -0.142095 0.040 Uiso 1 1 calc R U . . .
C7_5 C 1.19417(13) 0.72671(13) -0.10962(12) 0.0303(5) Uani 1 1 d . . . . .
C8_5 C 1.17381(12) 0.66054(12) -0.05749(11) 0.0269(4) Uani 1 1 d . . . . .
H8_5 H 1.214483 0.610249 -0.057681 0.032 Uiso 1 1 calc R U . . .
C9_5 C 1.09555(12) 0.66581(11) -0.00501(11) 0.0248(4) Uani 1 1 d . . . . .
C10_5 C 1.07643(13) 0.59307(12) 0.05028(12) 0.0306(5) Uani 1 1 d . . . . .
H10A_5 H 1.123138 0.546270 0.038950 0.046 Uiso 1 1 calc R U . . .
H10B_5 H 1.020478 0.584835 0.045413 0.046 Uiso 1 1 calc R U . . .
H10C_5 H 1.073109 0.600357 0.102768 0.046 Uiso 1 1 calc R U . . .
C11_5 C 0.99675(15) 0.89037(12) -0.05306(14) 0.0405(6) Uani 1 1 d . . . . .
H11A_5 H 1.010970 0.926054 -0.101724 0.061 Uiso 1 1 calc R U . . .
H11B_5 H 1.004693 0.911856 -0.010718 0.061 Uiso 1 1 calc R U . . .
H11C_5 H 0.935815 0.886476 -0.045274 0.061 Uiso 1 1 calc R U . . .
C12_5 C 1.27915(14) 0.72003(15) -0.16634(13) 0.0397(5) Uani 1 1 d . . . . .
H12A_5 H 1.305150 0.663608 -0.169893 0.060 Uiso 1 1 calc R U . . .
H12B_5 H 1.319457 0.742053 -0.149178 0.060 Uiso 1 1 calc R U . . .
H12C_5 H 1.268153 0.750076 -0.216876 0.060 Uiso 1 1 calc R U . . .
C13_5 C 0.72308(12) 0.79507(11) 0.10071(11) 0.0246(4) Uani 1 1 d . . . . .
C14_5 C 0.66696(13) 0.75356(11) 0.15498(11) 0.0263(4) Uani 1 1 d . . . . .
C15_5 C 0.57719(13) 0.78260(12) 0.15836(12) 0.0310(5) Uani 1 1 d . . . . .
H15_5 H 0.538481 0.754315 0.194827 0.037 Uiso 1 1 calc R U . . .
C16_5 C 0.54239(13) 0.85100(12) 0.11063(12) 0.0327(5) Uani 1 1 d . . . . .
C17_5 C 0.60006(14) 0.89314(12) 0.05994(12) 0.0325(5) Uani 1 1 d . . . . .
H17_5 H 0.577179 0.941234 0.027770 0.039 Uiso 1 1 calc R U . . .
C18_5 C 0.69020(13) 0.86723(11) 0.05474(11) 0.0276(4) Uani 1 1 d . . . . .
C19_5 C 0.74887(14) 0.91902(12) 0.00393(12) 0.0327(5) Uani 1 1 d . . . . .
H19A_5 H 0.713266 0.971354 -0.014970 0.049 Uiso 1 1 calc R U . . .
H19B_5 H 0.782584 0.893345 -0.039704 0.049 Uiso 1 1 calc R U . . .
H19C_5 H 0.789016 0.926134 0.033324 0.049 Uiso 1 1 calc R U . . .
C20_5 C 0.70132(14) 0.68243(12) 0.21169(11) 0.0314(5) Uani 1 1 d . . . . .
H20A_5 H 0.657814 0.649747 0.231253 0.047 Uiso 1 1 calc R U . . .
H20B_5 H 0.713012 0.700613 0.254455 0.047 Uiso 1 1 calc R U . . .
H20C_5 H 0.755600 0.650390 0.186467 0.047 Uiso 1 1 calc R U . . .
C21_5 C 0.44511(15) 0.88013(15) 0.11377(15) 0.0478(6) Uani 1 1 d . . . . .
H21A_5 H 0.428826 0.938497 0.109475 0.072 Uiso 1 1 calc R U . . .
H21B_5 H 0.414199 0.855572 0.162665 0.072 Uiso 1 1 calc R U . . .
H21C_5 H 0.429031 0.865246 0.071222 0.072 Uiso 1 1 calc R U . . .
C1_6 C 0.39304(12) 0.27864(11) 0.52738(10) 0.0230(4) Uani 1 1 d . . . . .
C2_6 C 0.31035(12) 0.31851(11) 0.56791(10) 0.0225(4) Uani 1 1 d . . . . .
C3_6 C 0.23500(12) 0.28677(11) 0.58177(10) 0.0212(4) Uani 1 1 d . . . . .
C4_6 C 0.15514(12) 0.32789(11) 0.62242(10) 0.0235(4) Uani 1 1 d . . . . .
C5_6 C 0.07470(12) 0.30403(12) 0.63541(11) 0.0279(4) Uani 1 1 d . . . . .
H5_6 H 0.072745 0.260486 0.613790 0.034 Uiso 1 1 calc R U . . .
C6_6 C 0.00042(14) 0.34209(13) 0.67808(12) 0.0356(5) Uani 1 1 d . . . . .
H6_6 H -0.052199 0.324706 0.685588 0.043 Uiso 1 1 calc R U . . .
C7_6 C 0.00063(15) 0.40670(13) 0.71112(12) 0.0387(6) Uani 1 1 d . . . . .
H7_6 H -0.050726 0.430907 0.742976 0.046 Uiso 1 1 calc R U . . .
C8_6 C 0.07402(14) 0.43421(13) 0.69742(12) 0.0354(5) Uani 1 1 d . . . . .
H8_6 H 0.073369 0.478672 0.718946 0.043 Uiso 1 1 calc R U . . .
C9_6 C 0.15245(13) 0.39784(11) 0.65128(11) 0.0268(4) Uani 1 1 d . . . . .
C10_6 C 0.22731(14) 0.42667(12) 0.63727(11) 0.0305(5) Uani 1 1 d . . . . .
H10_6 H 0.224603 0.473822 0.655478 0.037 Uiso 1 1 calc R U . . .
C11_6 C 0.30638(14) 0.38865(12) 0.59734(11) 0.0283(5) Uani 1 1 d . . . . .
C12_6 C 0.38432(15) 0.41457(13) 0.59035(12) 0.0364(5) Uani 1 1 d . . . . .
H12_6 H 0.381599 0.462279 0.607601 0.044 Uiso 1 1 calc R U . . .
C13_6 C 0.46222(15) 0.37163(14) 0.55927(12) 0.0381(5) Uani 1 1 d . . . . .
H13_6 H 0.514589 0.386941 0.558172 0.046 Uiso 1 1 calc R U . . .
C14_6 C 0.46596(14) 0.30374(13) 0.52828(11) 0.0299(5) Uani 1 1 d . . . . .
H14_6 H 0.521606 0.274261 0.507142 0.036 Uiso 1 1 calc R U . . .
C1_7 C 0.19732(11) 0.13696(11) 0.61480(10) 0.0199(4) Uani 1 1 d . . . . .
C2_7 C 0.22776(11) 0.09976(10) 0.68362(10) 0.0191(4) Uani 1 1 d . . . . .
C3_7 C 0.30252(12) 0.11569(11) 0.70146(10) 0.0208(4) Uani 1 1 d . . . . .
H3_7 H 0.331621 0.153276 0.666317 0.025 Uiso 1 1 calc R U . . .
C4_7 C 0.33288(13) 0.07867(11) 0.76703(11) 0.0244(4) Uani 1 1 d . . . . .
H4_7 H 0.383035 0.089953 0.777040 0.029 Uiso 1 1 calc R U . . .
C5_7 C 0.28979(13) 0.02303(11) 0.82078(11) 0.0269(4) Uani 1 1 d . . . . .
H5_7 H 0.310648 -0.002154 0.867115 0.032 Uiso 1 1 calc R U . . .
C6_7 C 0.21924(13) 0.00566(11) 0.80642(11) 0.0272(4) Uani 1 1 d . . . . .
H6_7 H 0.191259 -0.031724 0.843110 0.033 Uiso 1 1 calc R U . . .
C7_7 C 0.18572(12) 0.04196(11) 0.73770(11) 0.0228(4) Uani 1 1 d . . . . .
C8_7 C 0.11514(12) 0.02283(11) 0.72086(11) 0.0265(4) Uani 1 1 d . . . . .
H8_7 H 0.086247 -0.014098 0.757275 0.032 Uiso 1 1 calc R U . . .
C9_7 C 0.08569(12) 0.05635(11) 0.65202(11) 0.0243(4) Uani 1 1 d . . . . .
C10_7 C 0.01537(13) 0.03517(12) 0.63213(13) 0.0319(5) Uani 1 1 d . . . . .
H10_7 H -0.013593 -0.002355 0.667542 0.038 Uiso 1 1 calc R U . . .
C11_7 C -0.01076(14) 0.06722(13) 0.56426(13) 0.0354(5) Uani 1 1 d . . . . .
H11_7 H -0.057695 0.052178 0.552482 0.042 Uiso 1 1 calc R U . . .
C12_7 C 0.03139(13) 0.12315(13) 0.51055(13) 0.0335(5) Uani 1 1 d . . . . .
H12_7 H 0.013220 0.145003 0.462559 0.040 Uiso 1 1 calc R U . . .
C13_7 C 0.09786(12) 0.14569(12) 0.52746(11) 0.0276(4) Uani 1 1 d . . . . .
H13_7 H 0.124839 0.183924 0.491039 0.033 Uiso 1 1 calc R U . . .
C14_7 C 0.12819(12) 0.11375(11) 0.59802(11) 0.0228(4) Uani 1 1 d . . . . .
B1_8 B 0.40143(14) 0.21172(13) 0.47726(12) 0.0203(4) Uani 1 1 d . . . . .
H1_8 H 0.4599(12) 0.1623(10) 0.4854(10) 0.018(5) Uiso 1 1 d . . . . .
N1_8 N 0.31870(9) 0.17610(9) 0.50323(8) 0.0190(3) Uani 1 1 d . . . . .
C1_8 C 0.36583(12) 0.01117(11) 0.41178(11) 0.0232(4) Uani 1 1 d . . . . .
B2_8 B 0.24833(13) 0.20177(13) 0.56141(12) 0.0197(4) Uani 1 1 d . . . . .
C2_8 C 0.28504(14) -0.00469(12) 0.41695(12) 0.0319(5) Uani 1 1 d . . . . .
H2_8 H 0.233119 0.030785 0.436798 0.038 Uiso 1 1 calc R U . . .
N3_8 N 0.37635(10) 0.08165(9) 0.43174(9) 0.0224(3) Uani 1 1 d . . . . .
C4_8 C 0.35490(15) -0.12470(13) 0.36526(13) 0.0398(6) Uani 1 1 d . . . . .
H4_8 H 0.351037 -0.171298 0.349656 0.048 Uiso 1 1 calc R U . . .
C5_8 C 0.43493(16) -0.10916(14) 0.36018(15) 0.0480(6) Uani 1 1 d . . . . .
H5_8 H 0.486749 -0.145275 0.341146 0.058 Uiso 1 1 calc R U . . .
C6_8 C 0.44061(14) -0.04111(13) 0.38263(14) 0.0390(6) Uani 1 1 d . . . . .
H6_8 H 0.496287 -0.030266 0.377972 0.047 Uiso 1 1 calc R U . . .
C3_8 C 0.27992(15) -0.07201(13) 0.39327(13) 0.0375(5) Uani 1 1 d . . . . .
H3_8 H 0.224299 -0.082202 0.396271 0.045 Uiso 1 1 calc R U . . .
N2_8 N 0.31596(10) 0.10521(9) 0.48485(9) 0.0214(3) Uani 1 1 d . . . . .
C4_11 C 0.58184(11) 0.22306(11) 0.36288(10) 0.0209(4) Uani 1 1 d . . . . .
N4_11 N 0.49699(9) 0.24791(9) 0.34093(8) 0.0205(3) Uani 1 1 d . . . . .
C5_11 C 0.62600(12) 0.14267(11) 0.37000(11) 0.0243(4) Uani 1 1 d . . . . .
N5_11 N 0.35692(9) 0.28619(9) 0.34192(8) 0.0210(3) Uani 1 1 d . . . . .
C6_11 C 0.70936(13) 0.12212(12) 0.38808(12) 0.0294(5) Uani 1 1 d . . . . .
H6_11 H 0.740029 0.067528 0.393719 0.035 Uiso 1 1 calc R U . . .
C7_11 C 0.74877(13) 0.17829(13) 0.39806(12) 0.0303(5) Uani 1 1 d . . . . .
C8_11 C 0.70352(13) 0.25777(12) 0.38924(11) 0.0269(4) Uani 1 1 d . . . . .
H8_11 H 0.730102 0.296904 0.396205 0.032 Uiso 1 1 calc R U . . .
C9_11 C 0.62043(12) 0.28219(11) 0.37052(10) 0.0220(4) Uani 1 1 d . . . . .
C10_11 C 0.57645(13) 0.36980(11) 0.35846(12) 0.0292(5) Uani 1 1 d . . . . .
H10A_11 H 0.595297 0.396608 0.391092 0.044 Uiso 1 1 calc R U . . .
H10B_11 H 0.512846 0.376156 0.371952 0.044 Uiso 1 1 calc R U . . .
H10C_11 H 0.592539 0.393719 0.304469 0.044 Uiso 1 1 calc R U . . .
C11_11 C 0.58644(13) 0.07987(12) 0.35907(12) 0.0305(5) Uani 1 1 d . . . . .
H11A_11 H 0.623641 0.026904 0.373570 0.046 Uiso 1 1 calc R U . . .
H11B_11 H 0.581459 0.087802 0.305052 0.046 Uiso 1 1 calc R U . . .
H11C_11 H 0.528178 0.083578 0.391377 0.046 Uiso 1 1 calc R U . . .
C12_11 C 0.83933(14) 0.15422(15) 0.41720(15) 0.0460(6) Uani 1 1 d . . . . .
H12A_11 H 0.842079 0.185566 0.454265 0.069 Uiso 1 1 calc R U . . .
H12B_11 H 0.882243 0.164351 0.370304 0.069 Uiso 1 1 calc R U . . .
H12C_11 H 0.852493 0.097119 0.439476 0.069 Uiso 1 1 calc R U . . .
C13_12 C 0.2673(7) 0.3209(8) 0.3701(11) 0.0230(11) Uani 0.551(13) 1 d D U P A 1
C14_12 C 0.2486(4) 0.3937(5) 0.3959(5) 0.0246(11) Uani 0.551(13) 1 d D U P A 1
C15_12 C 0.1614(4) 0.4286(4) 0.4210(4) 0.0262(11) Uani 0.551(13) 1 d D U P A 1
H15_12 H 0.147607 0.477018 0.440490 0.031 Uiso 0.551(13) 1 calc R U P A 1
C16_12 C 0.0934(4) 0.3953(4) 0.4187(3) 0.0272(11) Uani 0.551(13) 1 d D U P A 1
C17_12 C 0.1140(4) 0.3264(4) 0.3883(4) 0.0253(11) Uani 0.551(13) 1 d D U P A 1
H17_12 H 0.068122 0.304150 0.384470 0.030 Uiso 0.551(13) 1 calc R U P A 1
C18_12 C 0.2010(5) 0.2882(5) 0.3626(5) 0.0243(11) Uani 0.551(13) 1 d D U P A 1
C19_12 C 0.2205(4) 0.2162(4) 0.3263(4) 0.0263(13) Uani 0.551(13) 1 d D U P A 1
H19A_12 H 0.172324 0.188710 0.345310 0.039 Uiso 0.551(13) 1 calc R U P A 1
H19B_12 H 0.274813 0.179841 0.339374 0.039 Uiso 0.551(13) 1 calc R U P A 1
H19C_12 H 0.227184 0.232575 0.270448 0.039 Uiso 0.551(13) 1 calc R U P A 1
C20_12 C -0.0011(3) 0.4329(5) 0.4484(3) 0.0319(12) Uani 0.551(13) 1 d D U P A 1
H20A_12 H -0.030188 0.391317 0.480429 0.048 Uiso 0.551(13) 1 calc R U P A 1
H20B_12 H -0.030809 0.459127 0.405008 0.048 Uiso 0.551(13) 1 calc R U P A 1
H20C_12 H -0.003332 0.472639 0.479161 0.048 Uiso 0.551(13) 1 calc R U P A 1
C21_12 C 0.3183(4) 0.4371(4) 0.3928(4) 0.0255(12) Uani 0.551(13) 1 d D U P A 1
H21A_12 H 0.290861 0.488541 0.409752 0.038 Uiso 0.551(13) 1 calc R U P A 1
H21B_12 H 0.350437 0.446438 0.339983 0.038 Uiso 0.551(13) 1 calc R U P A 1
H21C_12 H 0.358766 0.404523 0.426602 0.038 Uiso 0.551(13) 1 calc R U P A 1
C13_13 C 0.2641(9) 0.3158(10) 0.3678(14) 0.0262(13) Uani 0.449(13) 1 d D U P A -1
C14_13 C 0.2341(5) 0.3863(6) 0.3990(6) 0.0270(13) Uani 0.449(13) 1 d D U P A -1
C15_13 C 0.1433(5) 0.4124(5) 0.4239(4) 0.0286(14) Uani 0.449(13) 1 d D U P A -1
H15_13 H 0.122020 0.458848 0.447014 0.034 Uiso 0.449(13) 1 calc R U P A -1
C16_13 C 0.0850(5) 0.3726(5) 0.4155(4) 0.0300(13) Uani 0.449(13) 1 d D U P A -1
C17_13 C 0.1175(5) 0.3060(5) 0.3794(5) 0.0280(13) Uani 0.449(13) 1 d D U P A -1
H17_13 H 0.077160 0.280156 0.370470 0.034 Uiso 0.449(13) 1 calc R U P A -1
C18_13 C 0.2058(6) 0.2762(6) 0.3559(7) 0.0266(12) Uani 0.449(13) 1 d D U P A -1
C19_13 C 0.2367(6) 0.2056(6) 0.3150(5) 0.0271(14) Uani 0.449(13) 1 d D U P A -1
H19A_13 H 0.211245 0.161299 0.345913 0.041 Uiso 0.449(13) 1 calc R U P A -1
H19B_13 H 0.300652 0.188817 0.307415 0.041 Uiso 0.449(13) 1 calc R U P A -1
H19C_13 H 0.218286 0.220843 0.264993 0.041 Uiso 0.449(13) 1 calc R U P A -1
C20_13 C -0.0118(4) 0.4005(6) 0.4442(4) 0.0363(15) Uani 0.449(13) 1 d D U P A -1
H20A_13 H -0.038018 0.353950 0.463409 0.055 Uiso 0.449(13) 1 calc R U P A -1
H20B_13 H -0.039458 0.435253 0.402094 0.055 Uiso 0.449(13) 1 calc R U P A -1
H20C_13 H -0.020871 0.430275 0.485854 0.055 Uiso 0.449(13) 1 calc R U P A -1
C21_13 C 0.2956(6) 0.4340(6) 0.4031(5) 0.0288(15) Uani 0.449(13) 1 d D U P A -1
H21A_13 H 0.267569 0.469485 0.440591 0.043 Uiso 0.449(13) 1 calc R U P A -1
H21B_13 H 0.311010 0.466081 0.352473 0.043 Uiso 0.449(13) 1 calc R U P A -1
H21C_13 H 0.348654 0.397745 0.418838 0.043 Uiso 0.449(13) 1 calc R U P A -1
C1_9 C 0.1204(2) 0.89479(19) 0.18268(19) 0.0593(9) Uani 0.5570(19) 1 d G U P B 1
H1_9 H 0.089414 0.930521 0.217085 0.071 Uiso 0.5570(19) 1 calc R U P B 1
C2_9 C 0.1025(2) 0.8198(2) 0.19365(18) 0.0582(8) Uani 0.5570(19) 1 d G U P B 1
H2_9 H 0.059250 0.804221 0.235561 0.070 Uiso 0.5570(19) 1 calc R U P B 1
C3_9 C 0.1478(2) 0.76748(17) 0.1433(2) 0.0557(8) Uani 0.5570(19) 1 d G U P B 1
H3_9 H 0.135592 0.716204 0.150812 0.067 Uiso 0.5570(19) 1 calc R U P B 1
C4_9 C 0.2111(2) 0.79022(17) 0.08199(19) 0.0530(8) Uani 0.5570(19) 1 d G U P B 1
H4_9 H 0.242098 0.754486 0.047587 0.064 Uiso 0.5570(19) 1 calc R U P B 1
C5_9 C 0.2290(2) 0.86524(18) 0.07102(18) 0.0579(9) Uani 0.5570(19) 1 d G U P B 1
H5_9 H 0.272262 0.880786 0.029109 0.070 Uiso 0.5570(19) 1 calc R U P B 1
C6_9 C 0.1837(2) 0.91753(15) 0.1214(2) 0.0574(8) Uani 0.5570(19) 1 d G U P B 1
H6_9 H 0.195922 0.968804 0.113857 0.069 Uiso 0.5570(19) 1 calc R U P B 1
C1_91 C 0.1492(5) 0.9138(3) 0.0816(4) 0.0598(10) Uani 0.3207(19) 1 d G U P B -1
H1_91 H 0.146309 0.965824 0.051385 0.072 Uiso 0.3207(19) 1 calc R U P B -1
C2_91 C 0.1935(4) 0.8467(4) 0.0488(3) 0.0568(10) Uani 0.3207(19) 1 d G U P B -1
H2_91 H 0.220843 0.852841 -0.003783 0.068 Uiso 0.3207(19) 1 calc R U P B -1
C3_91 C 0.1977(4) 0.7706(3) 0.0929(4) 0.0530(10) Uani 0.3207(19) 1 d G U P B -1
H3_91 H 0.227931 0.724730 0.070531 0.064 Uiso 0.3207(19) 1 calc R U P B -1
C4_91 C 0.1576(5) 0.7616(3) 0.1698(3) 0.0560(9) Uani 0.3207(19) 1 d G U P B -1
H4_91 H 0.160485 0.709598 0.200014 0.067 Uiso 0.3207(19) 1 calc R U P B -1
C5_91 C 0.1133(5) 0.8287(4) 0.2026(3) 0.0600(9) Uani 0.3207(19) 1 d G U P B -1
H5_91 H 0.085950 0.822579 0.255183 0.072 Uiso 0.3207(19) 1 calc R U P B -1
C6_91 C 0.1091(4) 0.9048(3) 0.1585(4) 0.0600(10) Uani 0.3207(19) 1 d G U P B -1
H6_91 H 0.078861 0.950692 0.180870 0.072 Uiso 0.3207(19) 1 calc R U P B -1
C1_10 C 0.1713(2) 0.7387(2) 0.3894(3) 0.0744(9) Uani 0.5570(19) 1 d G U P B 1
H1_10 H 0.127327 0.781614 0.370369 0.089 Uiso 0.5570(19) 1 calc R U P B 1
C2_10 C 0.1550(2) 0.6974(2) 0.4642(2) 0.0781(11) Uani 0.5570(19) 1 d G U P B 1
H2_10 H 0.099813 0.712148 0.496236 0.094 Uiso 0.5570(19) 1 calc R U P B 1
C3_10 C 0.2194(3) 0.6346(2) 0.49206(19) 0.0752(10) Uani 0.5570(19) 1 d G U P B 1
H3_10 H 0.208246 0.606442 0.543160 0.090 Uiso 0.5570(19) 1 calc R U P B 1
C4_10 C 0.3002(2) 0.6131(2) 0.4452(2) 0.0772(10) Uani 0.5570(19) 1 d G U P B 1
H4_10 H 0.344195 0.570200 0.464217 0.093 Uiso 0.5570(19) 1 calc R U P B 1
C5_10 C 0.3165(2) 0.6544(2) 0.3704(2) 0.0767(9) Uani 0.5570(19) 1 d G U P B 1
H5_10 H 0.371711 0.639664 0.338351 0.092 Uiso 0.5570(19) 1 calc R U P B 1
C6_10 C 0.2521(3) 0.7172(2) 0.3425(2) 0.0755(9) Uani 0.5570(19) 1 d G U P B 1
H6_10 H 0.263278 0.745371 0.291425 0.091 Uiso 0.5570(19) 1 calc R U P B 1
C1_101 C 0.3388(4) 0.6892(4) 0.2868(4) 0.0734(11) Uani 0.3207(19) 1 d G U P B -1
H1_101 H 0.381382 0.683448 0.241348 0.088 Uiso 0.3207(19) 1 calc R U P B -1
C2_101 C 0.2627(4) 0.7493(4) 0.2850(4) 0.0727(10) Uani 0.3207(19) 1 d G U P B -1
H2_101 H 0.253371 0.784690 0.238181 0.087 Uiso 0.3207(19) 1 calc R U P B -1
C3_101 C 0.2004(4) 0.7577(4) 0.3515(4) 0.0740(10) Uani 0.3207(19) 1 d G U P B -1
H3_101 H 0.148447 0.798821 0.350233 0.089 Uiso 0.3207(19) 1 calc R U P B -1
C4_101 C 0.2141(4) 0.7060(4) 0.4200(4) 0.0761(9) Uani 0.3207(19) 1 d G U P B -1
H4_101 H 0.171535 0.711710 0.465454 0.091 Uiso 0.3207(19) 1 calc R U P B -1
C5_101 C 0.2902(5) 0.6458(4) 0.4218(4) 0.0779(10) Uani 0.3207(19) 1 d G U P B -1
H5_101 H 0.299546 0.610467 0.468623 0.093 Uiso 0.3207(19) 1 calc R U P B -1
C6_101 C 0.3525(4) 0.6374(4) 0.3553(4) 0.0776(11) Uani 0.3207(19) 1 d G U P B -1
H6_101 H 0.404470 0.596335 0.356571 0.093 Uiso 0.3207(19) 1 calc R U P B -1
C1_14 C 0.1791(16) 0.8742(14) 0.0718(10) 0.0556(16) Uani 0.1222(17) 1 d D U P C -2
H1A_14 H 0.125073 0.901742 0.052249 0.083 Uiso 0.1222(17) 1 calc R U P C -2
H1B_14 H 0.200091 0.821019 0.057489 0.083 Uiso 0.1222(17) 1 calc R U P C -2
H1C_14 H 0.223646 0.905385 0.049660 0.083 Uiso 0.1222(17) 1 calc R U P C -2
C2_14 C 0.1603(14) 0.8653(11) 0.1620(10) 0.0590(9) Uani 0.1222(17) 1 d D U P C -2
H2A_14 H 0.179326 0.908464 0.175389 0.071 Uiso 0.1222(17) 1 calc R U P C -2
H2AB_14 H 0.096286 0.873735 0.180304 0.071 Uiso 0.1222(17) 1 calc R U P C -2
C3_14 C 0.2028(15) 0.7879(11) 0.2045(9) 0.0624(10) Uani 0.1222(17) 1 d D U P C -2
H3A_14 H 0.266825 0.778881 0.186056 0.075 Uiso 0.1222(17) 1 calc R U P C -2
H3AB_14 H 0.183097 0.744545 0.192077 0.075 Uiso 0.1222(17) 1 calc R U P C -2
C4_14 C 0.1839(16) 0.7815(11) 0.2935(10) 0.0727(11) Uani 0.1222(17) 1 d D U P C -2
H4A_14 H 0.204689 0.823860 0.306486 0.087 Uiso 0.1222(17) 1 calc R U P C -2
H4AB_14 H 0.119923 0.790759 0.312394 0.087 Uiso 0.1222(17) 1 calc R U P C -2
C5_14 C 0.2284(17) 0.7001(12) 0.3338(11) 0.0748(10) Uani 0.1222(17) 1 d D U P C -2
H5A_14 H 0.208372 0.659205 0.317540 0.090 Uiso 0.1222(17) 1 calc R U P C -2
H5AB_14 H 0.291864 0.692495 0.312961 0.090 Uiso 0.1222(17) 1 calc R U P C -2
C6_14 C 0.2183(18) 0.6799(14) 0.4196(11) 0.0774(15) Uani 0.1222(17) 1 d D U P C -2
H6A_14 H 0.209003 0.625521 0.437368 0.116 Uiso 0.1222(17) 1 calc R U P C -2
H6B_14 H 0.167874 0.717952 0.442619 0.116 Uiso 0.1222(17) 1 calc R U P C -2
H6C_14 H 0.271293 0.683225 0.434856 0.116 Uiso 0.1222(17) 1 calc R U P C -2
C4_111 C 0.41781(11) 0.25040(10) 0.38528(10) 0.0187(4) Uani 1 1 d . . . . .
C5_111 C 0.49229(12) 0.27887(12) 0.25938(10) 0.0258(4) Uani 1 1 d . . . . .
H5A_111 H 0.516304 0.235653 0.228516 0.031 Uiso 1 1 calc R U . . .
H5AB_111 H 0.524614 0.321809 0.238238 0.031 Uiso 1 1 calc R U . . .
C6_111 C 0.39477(12) 0.31127(12) 0.26067(10) 0.0261(4) Uani 1 1 d . . . . .
H6A_111 H 0.380305 0.370287 0.245504 0.031 Uiso 1 1 calc R U . . .
H6AB_111 H 0.374000 0.287331 0.226244 0.031 Uiso 1 1 calc R U . . .
C4_51 C 0.87682(12) 0.74315(10) 0.04020(10) 0.0218(4) Uani 1 1 d . . . . .
C5_51 C 0.95070(14) 0.77535(13) 0.12050(12) 0.0335(5) Uani 1 1 d . . . . .
H5A_51 H 0.970013 0.826132 0.109996 0.040 Uiso 1 1 calc R U . . .
H5AB_51 H 0.987341 0.734421 0.154039 0.040 Uiso 1 1 calc R U . . .
C6_51 C 0.85486(13) 0.78702(13) 0.15656(11) 0.0313(5) Uani 1 1 d . . . . .
H6A_51 H 0.845984 0.749940 0.206080 0.038 Uiso 1 1 calc R U . . .
H6AB_51 H 0.829489 0.842752 0.165148 0.038 Uiso 1 1 calc R U . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
C1_1 C14_1 1.373(3) . ?
C1_1 C2_1 1.440(3) . ?
C1_1 B1_3 1.608(3) . ?
C2_1 C3_1 1.418(3) . ?
C2_1 C11_1 1.444(3) . ?
C3_1 C4_1 1.423(3) . ?
C3_1 B2_3 1.573(3) . ?
C4_1 C5_1 1.427(3) . ?
C4_1 C9_1 1.437(3) . ?
C5_1 C6_1 1.358(3) . ?
C5_1 H5_1 0.9500 . ?
C6_1 C7_1 1.413(3) . ?
C6_1 H6_1 0.9500 . ?
C7_1 C8_1 1.352(3) . ?
C7_1 H7_1 0.9500 . ?
C8_1 C9_1 1.425(3) . ?
C8_1 H8_1 0.9500 . ?
C9_1 C10_1 1.388(3) . ?
C10_1 C11_1 1.391(3) . ?
C10_1 H10_1 0.9500 . ?
C11_1 C12_1 1.425(3) . ?
C12_1 C13_1 1.351(3) . ?
C12_1 H12_1 0.9500 . ?
C13_1 C14_1 1.417(3) . ?
C13_1 H13_1 0.9500 . ?
C14_1 H14_1 0.9500 . ?
C1_2 C14_2 1.408(3) . ?
C1_2 C2_2 1.413(3) . ?
C1_2 B2_3 1.593(3) . ?
C2_2 C3_2 1.421(3) . ?
C2_2 C7_2 1.432(3) . ?
C3_2 C4_2 1.363(3) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.411(3) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.353(3) . ?
C5_2 H5_2 0.9500 . ?
C6_2 C7_2 1.428(3) . ?
C6_2 H6_2 0.9500 . ?
C7_2 C8_2 1.388(3) . ?
C8_2 C9_2 1.395(3) . ?
C8_2 H8_2 0.9500 . ?
C9_2 C10_2 1.427(3) . ?
C9_2 C14_2 1.432(3) . ?
C10_2 C11_2 1.352(3) . ?
C10_2 H10_2 0.9500 . ?
C11_2 C12_2 1.417(3) . ?
C11_2 H11_2 0.9500 . ?
C12_2 C13_2 1.354(3) . ?
C12_2 H12_2 0.9500 . ?
C13_2 C14_2 1.432(3) . ?
C13_2 H13_2 0.9500 . ?
B1_3 N1_4 1.557(3) . ?
B1_3 C4_51 1.645(3) . ?
B1_3 H1_3 1.120(19) . ?
B2_3 N1_4 1.417(3) . ?
N1_4 N2_4 1.382(2) . ?
C1_4 C2_4 1.383(3) . ?
C1_4 C6_4 1.393(3) . ?
C1_4 N3_4 1.440(2) . ?
N2_4 N3_4 1.258(2) . ?
C2_4 C3_4 1.387(3) . ?
C2_4 H2_4 0.9500 . ?
C4_4 C5_4 1.380(3) . ?
C4_4 C3_4 1.380(3) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.386(3) . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?
C3_4 H3_4 0.9500 . ?
C4_5 C9_5 1.395(3) . ?
C4_5 C5_5 1.398(3) . ?
C4_5 N4_5 1.444(2) . ?
N4_5 C4_51 1.337(2) . ?
N4_5 C5_51 1.469(2) . ?
C5_5 C6_5 1.387(3) . ?
C5_5 C11_5 1.503(3) . ?
N5_5 C4_51 1.339(2) . ?
N5_5 C13_5 1.440(2) . ?
N5_5 C6_51 1.478(3) . ?
C6_5 C7_5 1.384(3) . ?
C6_5 H6_5 0.9500 . ?
C7_5 C8_5 1.387(3) . ?
C7_5 C12_5 1.506(3) . ?
C8_5 C9_5 1.389(3) . ?
C8_5 H8_5 0.9500 . ?
C9_5 C10_5 1.493(3) . ?
C10_5 H10A_5 0.9800 . ?
C10_5 H10B_5 0.9800 . ?
C10_5 H10C_5 0.9800 . ?
C11_5 H11A_5 0.9800 . ?
C11_5 H11B_5 0.9800 . ?
C11_5 H11C_5 0.9800 . ?
C12_5 H12A_5 0.9800 . ?
C12_5 H12B_5 0.9800 . ?
C12_5 H12C_5 0.9800 . ?
C13_5 C14_5 1.393(3) . ?
C13_5 C18_5 1.398(3) . ?
C14_5 C15_5 1.393(3) . ?
C14_5 C20_5 1.498(3) . ?
C15_5 C16_5 1.381(3) . ?
C15_5 H15_5 0.9500 . ?
C16_5 C17_5 1.388(3) . ?
C16_5 C21_5 1.507(3) . ?
C17_5 C18_5 1.390(3) . ?
C17_5 H17_5 0.9500 . ?
C18_5 C19_5 1.502(3) . ?
C19_5 H19A_5 0.9800 . ?
C19_5 H19B_5 0.9800 . ?
C19_5 H19C_5 0.9800 . ?
C20_5 H20A_5 0.9800 . ?
C20_5 H20B_5 0.9800 . ?
C20_5 H20C_5 0.9800 . ?
C21_5 H21A_5 0.9800 . ?
C21_5 H21B_5 0.9800 . ?
C21_5 H21C_5 0.9800 . ?
C1_6 C14_6 1.371(3) . ?
C1_6 C2_6 1.446(3) . ?
C1_6 B1_8 1.610(3) . ?
C2_6 C3_6 1.421(3) . ?
C2_6 C11_6 1.437(3) . ?
C3_6 C4_6 1.424(3) . ?
C3_6 B2_8 1.572(3) . ?
C4_6 C5_6 1.424(3) . ?
C4_6 C9_6 1.434(3) . ?
C5_6 C6_6 1.363(3) . ?
C5_6 H5_6 0.9500 . ?
C6_6 C7_6 1.406(3) . ?
C6_6 H6_6 0.9500 . ?
C7_6 C8_6 1.349(3) . ?
C7_6 H7_6 0.9500 . ?
C8_6 C9_6 1.424(3) . ?
C8_6 H8_6 0.9500 . ?
C9_6 C10_6 1.384(3) . ?
C10_6 C11_6 1.390(3) . ?
C10_6 H10_6 0.9500 . ?
C11_6 C12_6 1.421(3) . ?
C12_6 C13_6 1.350(3) . ?
C12_6 H12_6 0.9500 . ?
C13_6 C14_6 1.417(3) . ?
C13_6 H13_6 0.9500 . ?
C14_6 H14_6 0.9500 . ?
C1_7 C14_7 1.405(3) . ?
C1_7 C2_7 1.407(3) . ?
C1_7 B2_8 1.598(3) . ?
C2_7 C3_7 1.433(3) . ?
C2_7 C7_7 1.439(3) . ?
C3_7 C4_7 1.355(3) . ?
C3_7 H3_7 0.9500 . ?
C4_7 C5_7 1.419(3) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.351(3) . ?
C5_7 H5_7 0.9500 . ?
C6_7 C7_7 1.425(3) . ?
C6_7 H6_7 0.9500 . ?
C7_7 C8_7 1.388(3) . ?
C8_7 C9_7 1.390(3) . ?
C8_7 H8_7 0.9500 . ?
C9_7 C10_7 1.430(3) . ?
C9_7 C14_7 1.437(3) . ?
C10_7 C11_7 1.349(3) . ?
C10_7 H10_7 0.9500 . ?
C11_7 C12_7 1.414(3) . ?
C11_7 H11_7 0.9500 . ?
C12_7 C13_7 1.359(3) . ?
C12_7 H12_7 0.9500 . ?
C13_7 C14_7 1.421(3) . ?
C13_7 H13_7 0.9500 . ?
B1_8 N1_8 1.557(3) . ?
B1_8 C4_111 1.644(3) . ?
B1_8 H1_8 1.111(18) . ?
N1_8 N2_8 1.380(2) . ?
N1_8 B2_8 1.412(3) . ?
C1_8 C6_8 1.382(3) . ?
C1_8 C2_8 1.385(3) . ?
C1_8 N3_8 1.434(2) . ?
C2_8 C3_8 1.380(3) . ?
C2_8 H2_8 0.9500 . ?
N3_8 N2_8 1.257(2) . ?
C4_8 C5_8 1.371(3) . ?
C4_8 C3_8 1.381(3) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.385(3) . ?
C5_8 H5_8 0.9500 . ?
C6_8 H6_8 0.9500 . ?
C3_8 H3_8 0.9500 . ?
C4_11 C5_11 1.395(3) . ?
C4_11 C9_11 1.398(3) . ?
C4_11 N4_11 1.443(2) . ?
N4_11 C4_111 1.338(2) . ?
N4_11 C5_111 1.472(2) . ?
C5_11 C6_11 1.394(3) . ?
C5_11 C11_11 1.489(3) . ?
N5_11 C4_111 1.337(2) . ?
N5_11 C13_12 1.431(10) . ?
N5_11 C13_13 1.449(13) . ?
N5_11 C6_111 1.476(2) . ?
C6_11 C7_11 1.377(3) . ?
C6_11 H6_11 0.9500 . ?
C7_11 C8_11 1.386(3) . ?
C7_11 C12_11 1.509(3) . ?
C8_11 C9_11 1.392(3) . ?
C8_11 H8_11 0.9500 . ?
C9_11 C10_11 1.504(3) . ?
C10_11 H10A_11 0.9800 . ?
C10_11 H10B_11 0.9800 . ?
C10_11 H10C_11 0.9800 . ?
C11_11 H11A_11 0.9800 . ?
C11_11 H11B_11 0.9800 . ?
C11_11 H11C_11 0.9800 . ?
C12_11 H12A_11 0.9800 . ?
C12_11 H12B_11 0.9800 . ?
C12_11 H12C_11 0.9800 . ?
C13_12 C14_13 1.306(17) . ?
C13_12 C18_12 1.392(8) . ?
C13_12 C14_12 1.400(8) . ?
C13_12 C18_13 1.521(18) . ?
C14_12 C21_13 1.215(14) . ?
C14_12 C15_12 1.389(6) . ?
C14_12 C21_12 1.506(6) . ?
C14_12 C13_13 1.512(18) . ?
C14_12 C15_13 1.621(10) . ?
C15_12 C14_13 1.240(12) . ?
C15_12 C16_12 1.391(6) . ?
C15_12 C16_13 1.808(9) . ?
C15_12 H15_12 0.9500 . ?
C16_12 C15_13 0.966(9) . ?
C16_12 C17_12 1.376(6) . ?
C16_12 C20_12 1.513(6) . ?
C16_12 C20_13 1.637(9) . ?
C16_12 C17_13 1.787(9) . ?
C17_12 C16_13 0.998(8) . ?
C17_12 C18_12 1.403(6) . ?
C17_12 C18_13 1.565(11) . ?
C17_12 C15_13 1.982(10) . ?
C17_12 H17_12 0.9500 . ?
C18_12 C13_13 1.274(19) . ?
C18_12 C17_13 1.277(13) . ?
C18_12 C19_12 1.490(7) . ?
C18_12 C19_13 1.759(13) . ?
C19_12 C18_13 1.238(14) . ?
C19_12 H19A_12 0.9800 . ?
C19_12 H19B_12 0.9800 . ?
C19_12 H19C_12 0.9800 . ?
C20_12 C20_13 0.666(7) . ?
C20_12 C16_13 1.589(9) . ?
C20_12 H20A_12 0.9800 . ?
C20_12 H20B_12 0.9800 . ?
C20_12 H20C_12 0.9800 . ?
C21_12 C14_13 1.790(12) . ?
C21_12 H21A_12 0.9800 . ?
C21_12 H21B_12 0.9800 . ?
C21_12 H21C_12 0.9800 . ?
C13_13 C18_13 1.394(10) . ?
C13_13 C14_13 1.403(10) . ?
C14_13 C15_13 1.409(8) . ?
C14_13 C21_13 1.488(8) . ?
C15_13 C16_13 1.371(8) . ?
C15_13 H15_13 0.9500 . ?
C16_13 C17_13 1.394(7) . ?
C16_13 C20_13 1.510(7) . ?
C17_13 C18_13 1.381(8) . ?
C17_13 H17_13 0.9500 . ?
C18_13 C19_13 1.505(8) . ?
C19_13 H19A_13 0.9800 . ?
C19_13 H19B_13 0.9800 . ?
C19_13 H19C_13 0.9800 . ?
C20_13 H20A_13 0.9800 . ?
C20_13 H20B_13 0.9800 . ?
C20_13 H20C_13 0.9800 . ?
C21_13 H21A_13 0.9800 . ?
C21_13 H21B_13 0.9800 . ?
C21_13 H21C_13 0.9800 . ?
C1_9 C5_91 1.166(8) . ?
C1_9 C2_9 1.3900 . ?
C1_9 C6_9 1.3900 . ?
C1_9 C1_91 1.765(7) . ?
C1_9 H1_9 0.9500 . ?
C2_9 C4_91 1.249(9) . ?
C2_9 C3_9 1.3900 . ?
C2_9 C6_91 1.512(8) . ?
C2_9 H2_9 0.9500 . ?
C3_9 C4_91 0.522(9) . ?
C3_9 C3_91 1.071(8) . ?
C3_9 C4_9 1.3900 . ?
C3_9 C5_91 1.602(8) . ?
C3_9 H3_9 0.9500 . ?
C4_9 C2_91 1.044(7) . ?
C4_9 C5_9 1.3900 . ?
C4_9 C4_91 1.666(7) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C2_91 0.934(8) . ?
C5_9 C1_91 1.340(8) . ?
C5_9 C6_9 1.3900 . ?
C5_9 C3_91 1.805(6) . ?
C5_9 H5_9 0.9500 . ?
C6_9 C1_91 1.035(8) . ?
C6_9 C6_91 1.285(8) . ?
C6_9 C2_91 1.970(7) . ?
C6_9 H6_9 0.9500 . ?
C1_91 C2_91 1.3900 . ?
C1_91 C6_91 1.3900 . ?
C1_91 H1_91 0.9500 . ?
C2_91 C3_91 1.3900 . ?
C2_91 H2_91 0.9500 . ?
C3_91 C4_91 1.3900 . ?
C3_91 H3_91 0.9500 . ?
C4_91 C5_91 1.3900 . ?
C4_91 H4_91 0.9500 . ?
C5_91 C6_91 1.3900 . ?
C5_91 H5_91 0.9500 . ?
C6_91 H6_91 0.9500 . ?
C1_10 C3_101 0.797(8) . ?
C1_10 C4_101 0.968(8) . ?
C1_10 C2_10 1.3900 . ?
C1_10 C6_10 1.3900 . ?
C1_10 H1_10 0.9500 . ?
C2_10 C4_101 1.115(6) . ?
C2_10 C3_10 1.3900 . ?
C2_10 H2_10 0.9500 . ?
C3_10 C4_10 1.3900 . ?
C3_10 C5_101 1.516(8) . ?
C3_10 C4_101 1.596(7) . ?
C3_10 H3_10 0.9500 . ?
C4_10 C5_101 0.639(7) . ?
C4_10 C5_10 1.3900 . ?
C4_10 C6_101 1.673(9) . ?
C4_10 C4_101 1.883(8) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_101 0.609(6) . ?
C5_10 C5_101 0.929(8) . ?
C5_10 C6_10 1.3900 . ?
C5_10 C1_101 1.501(8) . ?
C5_10 C4_101 1.799(6) . ?
C5_10 H5_10 0.9500 . ?
C6_10 C3_101 0.949(6) . ?
C6_10 C2_101 1.070(6) . ?
C6_10 C4_101 1.391(6) . ?
C6_10 C1_101 1.556(6) . ?
C6_10 C5_101 1.791(7) . ?
C6_10 C6_101 1.858(6) . ?
C6_10 H6_10 0.9500 . ?
C1_101 C2_101 1.3900 . ?
C1_101 C6_101 1.3900 . ?
C1_101 H1_101 0.9500 . ?
C2_101 C3_101 1.3900 . ?
C2_101 H2_101 0.9500 . ?
C3_101 C4_101 1.3900 . ?
C3_101 H3_101 0.9500 . ?
C4_101 C5_101 1.3900 . ?
C4_101 H4_101 0.9500 . ?
C5_101 C6_101 1.3900 . ?
C5_101 H5_101 0.9500 . ?
C6_101 H6_101 0.9500 . ?
C1_14 C2_14 1.577(16) . ?
C1_14 H1A_14 0.9800 . ?
C1_14 H1B_14 0.9800 . ?
C1_14 H1C_14 0.9800 . ?
C2_14 C3_14 1.479(16) . ?
C2_14 H2A_14 0.9900 . ?
C2_14 H2AB_14 0.9900 . ?
C3_14 C4_14 1.560(16) . ?
C3_14 H3A_14 0.9900 . ?
C3_14 H3AB_14 0.9900 . ?
C4_14 C5_14 1.525(17) . ?
C4_14 H4A_14 0.9900 . ?
C4_14 H4AB_14 0.9900 . ?
C5_14 C6_14 1.499(17) . ?
C5_14 H5A_14 0.9900 . ?
C5_14 H5AB_14 0.9900 . ?
C6_14 H6A_14 0.9800 . ?
C6_14 H6B_14 0.9800 . ?
C6_14 H6C_14 0.9800 . ?
C5_111 C6_111 1.520(3) . ?
C5_111 H5A_111 0.9900 . ?
C5_111 H5AB_111 0.9900 . ?
C6_111 H6A_111 0.9900 . ?
C6_111 H6AB_111 0.9900 . ?
C5_51 C6_51 1.511(3) . ?
C5_51 H5A_51 0.9900 . ?
C5_51 H5AB_51 0.9900 . ?
C6_51 H6A_51 0.9900 . ?
C6_51 H6AB_51 0.9900 . ?
 
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
C14_1 C1_1 C2_1 117.68(18) . . ?
C14_1 C1_1 B1_3 119.34(18) . . ?
C2_1 C1_1 B1_3 122.75(16) . . ?
C3_1 C2_1 C1_1 120.96(17) . . ?
C3_1 C2_1 C11_1 120.04(18) . . ?
C1_1 C2_1 C11_1 118.97(17) . . ?
C2_1 C3_1 C4_1 118.74(17) . . ?
C2_1 C3_1 B2_3 117.60(17) . . ?
C4_1 C3_1 B2_3 123.49(17) . . ?
C3_1 C4_1 C5_1 123.25(17) . . ?
C3_1 C4_1 C9_1 120.46(18) . . ?
C5_1 C4_1 C9_1 116.26(18) . . ?
C6_1 C5_1 C4_1 122.29(19) . . ?
C6_1 C5_1 H5_1 118.9 . . ?
C4_1 C5_1 H5_1 118.9 . . ?
C5_1 C6_1 C7_1 120.8(2) . . ?
C5_1 C6_1 H6_1 119.6 . . ?
C7_1 C6_1 H6_1 119.6 . . ?
C8_1 C7_1 C6_1 119.5(2) . . ?
C8_1 C7_1 H7_1 120.2 . . ?
C6_1 C7_1 H7_1 120.2 . . ?
C7_1 C8_1 C9_1 121.46(19) . . ?
C7_1 C8_1 H8_1 119.3 . . ?
C9_1 C8_1 H8_1 119.3 . . ?
C10_1 C9_1 C8_1 120.99(18) . . ?
C10_1 C9_1 C4_1 119.34(19) . . ?
C8_1 C9_1 C4_1 119.65(19) . . ?
C9_1 C10_1 C11_1 121.80(18) . . ?
C9_1 C10_1 H10_1 119.1 . . ?
C11_1 C10_1 H10_1 119.1 . . ?
C10_1 C11_1 C12_1 121.06(19) . . ?
C10_1 C11_1 C2_1 119.42(18) . . ?
C12_1 C11_1 C2_1 119.48(19) . . ?
C13_1 C12_1 C11_1 119.88(19) . . ?
C13_1 C12_1 H12_1 120.1 . . ?
C11_1 C12_1 H12_1 120.1 . . ?
C12_1 C13_1 C14_1 120.66(19) . . ?
C12_1 C13_1 H13_1 119.7 . . ?
C14_1 C13_1 H13_1 119.7 . . ?
C1_1 C14_1 C13_1 122.6(2) . . ?
C1_1 C14_1 H14_1 118.7 . . ?
C13_1 C14_1 H14_1 118.7 . . ?
C14_2 C1_2 C2_2 118.43(17) . . ?
C14_2 C1_2 B2_3 116.70(16) . . ?
C2_2 C1_2 B2_3 124.77(17) . . ?
C1_2 C2_2 C3_2 121.19(17) . . ?
C1_2 C2_2 C7_2 120.86(17) . . ?
C3_2 C2_2 C7_2 117.94(17) . . ?
C4_2 C3_2 C2_2 121.63(19) . . ?
C4_2 C3_2 H3_2 119.2 . . ?
C2_2 C3_2 H3_2 119.2 . . ?
C3_2 C4_2 C5_2 120.10(19) . . ?
C3_2 C4_2 H4_2 120.0 . . ?
C5_2 C4_2 H4_2 120.0 . . ?
C6_2 C5_2 C4_2 120.50(18) . . ?
C6_2 C5_2 H5_2 119.7 . . ?
C4_2 C5_2 H5_2 119.7 . . ?
C5_2 C6_2 C7_2 121.20(19) . . ?
C5_2 C6_2 H6_2 119.4 . . ?
C7_2 C6_2 H6_2 119.4 . . ?
C8_2 C7_2 C6_2 122.16(18) . . ?
C8_2 C7_2 C2_2 119.23(17) . . ?
C6_2 C7_2 C2_2 118.61(18) . . ?
C7_2 C8_2 C9_2 121.38(18) . . ?
C7_2 C8_2 H8_2 119.3 . . ?
C9_2 C8_2 H8_2 119.3 . . ?
C8_2 C9_2 C10_2 121.84(18) . . ?
C8_2 C9_2 C14_2 119.27(17) . . ?
C10_2 C9_2 C14_2 118.88(17) . . ?
C11_2 C10_2 C9_2 120.99(19) . . ?
C11_2 C10_2 H10_2 119.5 . . ?
C9_2 C10_2 H10_2 119.5 . . ?
C10_2 C11_2 C12_2 120.63(19) . . ?
C10_2 C11_2 H11_2 119.7 . . ?
C12_2 C11_2 H11_2 119.7 . . ?
C13_2 C12_2 C11_2 120.19(18) . . ?
C13_2 C12_2 H12_2 119.9 . . ?
C11_2 C12_2 H12_2 119.9 . . ?
C12_2 C13_2 C14_2 121.59(18) . . ?
C12_2 C13_2 H13_2 119.2 . . ?
C14_2 C13_2 H13_2 119.2 . . ?
C1_2 C14_2 C9_2 120.78(17) . . ?
C1_2 C14_2 C13_2 121.54(17) . . ?
C9_2 C14_2 C13_2 117.66(17) . . ?
N1_4 B1_3 C1_1 109.21(16) . . ?
N1_4 B1_3 C4_51 111.17(15) . . ?
C1_1 B1_3 C4_51 111.62(15) . . ?
N1_4 B1_3 H1_3 110.1(9) . . ?
C1_1 B1_3 H1_3 111.0(9) . . ?
C4_51 B1_3 H1_3 103.7(10) . . ?
N1_4 B2_3 C3_1 118.00(17) . . ?
N1_4 B2_3 C1_2 117.11(16) . . ?
C3_1 B2_3 C1_2 124.20(17) . . ?
N2_4 N1_4 B2_3 112.16(15) . . ?
N2_4 N1_4 B1_3 122.87(15) . . ?
B2_3 N1_4 B1_3 123.92(15) . . ?
C2_4 C1_4 C6_4 119.88(18) . . ?
C2_4 C1_4 N3_4 118.17(17) . . ?
C6_4 C1_4 N3_4 121.85(17) . . ?
N3_4 N2_4 N1_4 114.62(15) . . ?
C1_4 C2_4 C3_4 120.07(19) . . ?
C1_4 C2_4 H2_4 120.0 . . ?
C3_4 C2_4 H2_4 120.0 . . ?
N2_4 N3_4 C1_4 110.46(15) . . ?
C5_4 C4_4 C3_4 119.66(19) . . ?
C5_4 C4_4 H4_4 120.2 . . ?
C3_4 C4_4 H4_4 120.2 . . ?
C4_4 C5_4 C6_4 120.8(2) . . ?
C4_4 C5_4 H5_4 119.6 . . ?
C6_4 C5_4 H5_4 119.6 . . ?
C5_4 C6_4 C1_4 119.38(19) . . ?
C5_4 C6_4 H6_4 120.3 . . ?
C1_4 C6_4 H6_4 120.3 . . ?
C4_4 C3_4 C2_4 120.2(2) . . ?
C4_4 C3_4 H3_4 119.9 . . ?
C2_4 C3_4 H3_4 119.9 . . ?
C9_5 C4_5 C5_5 121.35(18) . . ?
C9_5 C4_5 N4_5 120.13(17) . . ?
C5_5 C4_5 N4_5 118.34(17) . . ?
C4_51 N4_5 C4_5 128.21(16) . . ?
C4_51 N4_5 C5_51 112.49(15) . . ?
C4_5 N4_5 C5_51 118.87(16) . . ?
C6_5 C5_5 C4_5 117.65(19) . . ?
C6_5 C5_5 C11_5 119.84(19) . . ?
C4_5 C5_5 C11_5 122.51(19) . . ?
C4_51 N5_5 C13_5 126.57(16) . . ?
C4_51 N5_5 C6_51 111.98(16) . . ?
C13_5 N5_5 C6_51 119.79(15) . . ?
C7_5 C6_5 C5_5 122.63(19) . . ?
C7_5 C6_5 H6_5 118.7 . . ?
C5_5 C6_5 H6_5 118.7 . . ?
C6_5 C7_5 C8_5 118.06(19) . . ?
C6_5 C7_5 C12_5 120.75(19) . . ?
C8_5 C7_5 C12_5 121.17(19) . . ?
C7_5 C8_5 C9_5 121.77(19) . . ?
C7_5 C8_5 H8_5 119.1 . . ?
C9_5 C8_5 H8_5 119.1 . . ?
C8_5 C9_5 C4_5 118.40(18) . . ?
C8_5 C9_5 C10_5 119.99(18) . . ?
C4_5 C9_5 C10_5 121.61(17) . . ?
C9_5 C10_5 H10A_5 109.5 . . ?
C9_5 C10_5 H10B_5 109.5 . . ?
H10A_5 C10_5 H10B_5 109.5 . . ?
C9_5 C10_5 H10C_5 109.5 . . ?
H10A_5 C10_5 H10C_5 109.5 . . ?
H10B_5 C10_5 H10C_5 109.5 . . ?
C5_5 C11_5 H11A_5 109.5 . . ?
C5_5 C11_5 H11B_5 109.5 . . ?
H11A_5 C11_5 H11B_5 109.5 . . ?
C5_5 C11_5 H11C_5 109.5 . . ?
H11A_5 C11_5 H11C_5 109.5 . . ?
H11B_5 C11_5 H11C_5 109.5 . . ?
C7_5 C12_5 H12A_5 109.5 . . ?
C7_5 C12_5 H12B_5 109.5 . . ?
H12A_5 C12_5 H12B_5 109.5 . . ?
C7_5 C12_5 H12C_5 109.5 . . ?
H12A_5 C12_5 H12C_5 109.5 . . ?
H12B_5 C12_5 H12C_5 109.5 . . ?
C14_5 C13_5 C18_5 120.87(18) . . ?
C14_5 C13_5 N5_5 119.23(17) . . ?
C18_5 C13_5 N5_5 119.43(17) . . ?
C15_5 C14_5 C13_5 118.27(18) . . ?
C15_5 C14_5 C20_5 120.34(18) . . ?
C13_5 C14_5 C20_5 121.29(18) . . ?
C16_5 C15_5 C14_5 122.4(2) . . ?
C16_5 C15_5 H15_5 118.8 . . ?
C14_5 C15_5 H15_5 118.8 . . ?
C15_5 C16_5 C17_5 117.78(19) . . ?
C15_5 C16_5 C21_5 121.5(2) . . ?
C17_5 C16_5 C21_5 120.7(2) . . ?
C16_5 C17_5 C18_5 122.13(19) . . ?
C16_5 C17_5 H17_5 118.9 . . ?
C18_5 C17_5 H17_5 118.9 . . ?
C17_5 C18_5 C13_5 118.32(19) . . ?
C17_5 C18_5 C19_5 119.65(18) . . ?
C13_5 C18_5 C19_5 121.93(18) . . ?
C18_5 C19_5 H19A_5 109.5 . . ?
C18_5 C19_5 H19B_5 109.5 . . ?
H19A_5 C19_5 H19B_5 109.5 . . ?
C18_5 C19_5 H19C_5 109.5 . . ?
H19A_5 C19_5 H19C_5 109.5 . . ?
H19B_5 C19_5 H19C_5 109.5 . . ?
C14_5 C20_5 H20A_5 109.5 . . ?
C14_5 C20_5 H20B_5 109.5 . . ?
H20A_5 C20_5 H20B_5 109.5 . . ?
C14_5 C20_5 H20C_5 109.5 . . ?
H20A_5 C20_5 H20C_5 109.5 . . ?
H20B_5 C20_5 H20C_5 109.5 . . ?
C16_5 C21_5 H21A_5 109.5 . . ?
C16_5 C21_5 H21B_5 109.5 . . ?
H21A_5 C21_5 H21B_5 109.5 . . ?
C16_5 C21_5 H21C_5 109.5 . . ?
H21A_5 C21_5 H21C_5 109.5 . . ?
H21B_5 C21_5 H21C_5 109.5 . . ?
C14_6 C1_6 C2_6 117.34(17) . . ?
C14_6 C1_6 B1_8 119.49(17) . . ?
C2_6 C1_6 B1_8 123.01(16) . . ?
C3_6 C2_6 C11_6 120.33(17) . . ?
C3_6 C2_6 C1_6 120.61(17) . . ?
C11_6 C2_6 C1_6 119.00(17) . . ?
C2_6 C3_6 C4_6 118.55(17) . . ?
C2_6 C3_6 B2_8 117.29(16) . . ?
C4_6 C3_6 B2_8 123.58(17) . . ?
C5_6 C4_6 C3_6 123.15(18) . . ?
C5_6 C4_6 C9_6 116.58(17) . . ?
C3_6 C4_6 C9_6 120.26(18) . . ?
C6_6 C5_6 C4_6 121.7(2) . . ?
C6_6 C5_6 H5_6 119.2 . . ?
C4_6 C5_6 H5_6 119.2 . . ?
C5_6 C6_6 C7_6 120.9(2) . . ?
C5_6 C6_6 H6_6 119.6 . . ?
C7_6 C6_6 H6_6 119.6 . . ?
C8_6 C7_6 C6_6 119.77(19) . . ?
C8_6 C7_6 H7_6 120.1 . . ?
C6_6 C7_6 H7_6 120.1 . . ?
C7_6 C8_6 C9_6 121.2(2) . . ?
C7_6 C8_6 H8_6 119.4 . . ?
C9_6 C8_6 H8_6 119.4 . . ?
C10_6 C9_6 C8_6 120.85(19) . . ?
C10_6 C9_6 C4_6 119.56(18) . . ?
C8_6 C9_6 C4_6 119.50(19) . . ?
C9_6 C10_6 C11_6 121.94(19) . . ?
C9_6 C10_6 H10_6 119.0 . . ?
C11_6 C10_6 H10_6 119.0 . . ?
C10_6 C11_6 C12_6 120.90(19) . . ?
C10_6 C11_6 C2_6 119.29(18) . . ?
C12_6 C11_6 C2_6 119.64(19) . . ?
C13_6 C12_6 C11_6 120.23(19) . . ?
C13_6 C12_6 H12_6 119.9 . . ?
C11_6 C12_6 H12_6 119.9 . . ?
C12_6 C13_6 C14_6 120.1(2) . . ?
C12_6 C13_6 H13_6 120.0 . . ?
C14_6 C13_6 H13_6 120.0 . . ?
C1_6 C14_6 C13_6 123.1(2) . . ?
C1_6 C14_6 H14_6 118.5 . . ?
C13_6 C14_6 H14_6 118.5 . . ?
C14_7 C1_7 C2_7 118.89(17) . . ?
C14_7 C1_7 B2_8 126.06(16) . . ?
C2_7 C1_7 B2_8 115.03(16) . . ?
C1_7 C2_7 C3_7 121.86(16) . . ?
C1_7 C2_7 C7_7 120.45(17) . . ?
C3_7 C2_7 C7_7 117.66(17) . . ?
C4_7 C3_7 C2_7 121.86(18) . . ?
C4_7 C3_7 H3_7 119.1 . . ?
C2_7 C3_7 H3_7 119.1 . . ?
C3_7 C4_7 C5_7 120.02(18) . . ?
C3_7 C4_7 H4_7 120.0 . . ?
C5_7 C4_7 H4_7 120.0 . . ?
C6_7 C5_7 C4_7 120.37(18) . . ?
C6_7 C5_7 H5_7 119.8 . . ?
C4_7 C5_7 H5_7 119.8 . . ?
C5_7 C6_7 C7_7 121.73(18) . . ?
C5_7 C6_7 H6_7 119.1 . . ?
C7_7 C6_7 H6_7 119.1 . . ?
C8_7 C7_7 C6_7 122.48(17) . . ?
C8_7 C7_7 C2_7 119.18(17) . . ?
C6_7 C7_7 C2_7 118.33(17) . . ?
C7_7 C8_7 C9_7 121.66(17) . . ?
C7_7 C8_7 H8_7 119.2 . . ?
C9_7 C8_7 H8_7 119.2 . . ?
C8_7 C9_7 C10_7 122.63(18) . . ?
C8_7 C9_7 C14_7 118.92(17) . . ?
C10_7 C9_7 C14_7 118.44(18) . . ?
C11_7 C10_7 C9_7 121.53(19) . . ?
C11_7 C10_7 H10_7 119.2 . . ?
C9_7 C10_7 H10_7 119.2 . . ?
C10_7 C11_7 C12_7 120.3(2) . . ?
C10_7 C11_7 H11_7 119.9 . . ?
C12_7 C11_7 H11_7 119.9 . . ?
C13_7 C12_7 C11_7 120.1(2) . . ?
C13_7 C12_7 H12_7 119.9 . . ?
C11_7 C12_7 H12_7 119.9 . . ?
C12_7 C13_7 C14_7 121.97(19) . . ?
C12_7 C13_7 H13_7 119.0 . . ?
C14_7 C13_7 H13_7 119.0 . . ?
C1_7 C14_7 C13_7 121.59(17) . . ?
C1_7 C14_7 C9_7 120.78(17) . . ?
C13_7 C14_7 C9_7 117.63(17) . . ?
N1_8 B1_8 C1_6 109.50(15) . . ?
N1_8 B1_8 C4_111 112.87(15) . . ?
C1_6 B1_8 C4_111 109.86(15) . . ?
N1_8 B1_8 H1_8 108.5(9) . . ?
C1_6 B1_8 H1_8 110.7(9) . . ?
C4_111 B1_8 H1_8 105.4(9) . . ?
N2_8 N1_8 B2_8 112.62(14) . . ?
N2_8 N1_8 B1_8 122.62(14) . . ?
B2_8 N1_8 B1_8 123.18(15) . . ?
C6_8 C1_8 C2_8 119.11(18) . . ?
C6_8 C1_8 N3_8 117.49(17) . . ?
C2_8 C1_8 N3_8 123.33(17) . . ?
N1_8 B2_8 C3_6 119.03(16) . . ?
N1_8 B2_8 C1_7 117.98(16) . . ?
C3_6 B2_8 C1_7 121.87(16) . . ?
C3_8 C2_8 C1_8 120.04(19) . . ?
C3_8 C2_8 H2_8 120.0 . . ?
C1_8 C2_8 H2_8 120.0 . . ?
N2_8 N3_8 C1_8 111.40(15) . . ?
C5_8 C4_8 C3_8 119.4(2) . . ?
C5_8 C4_8 H4_8 120.3 . . ?
C3_8 C4_8 H4_8 120.3 . . ?
C4_8 C5_8 C6_8 120.3(2) . . ?
C4_8 C5_8 H5_8 119.8 . . ?
C6_8 C5_8 H5_8 119.8 . . ?
C1_8 C6_8 C5_8 120.4(2) . . ?
C1_8 C6_8 H6_8 119.8 . . ?
C5_8 C6_8 H6_8 119.8 . . ?
C2_8 C3_8 C4_8 120.6(2) . . ?
C2_8 C3_8 H3_8 119.7 . . ?
C4_8 C3_8 H3_8 119.7 . . ?
N3_8 N2_8 N1_8 114.38(14) . . ?
C5_11 C4_11 C9_11 121.70(17) . . ?
C5_11 C4_11 N4_11 119.97(17) . . ?
C9_11 C4_11 N4_11 118.13(16) . . ?
C4_111 N4_11 C4_11 129.16(15) . . ?
C4_111 N4_11 C5_111 112.37(15) . . ?
C4_11 N4_11 C5_111 118.40(14) . . ?
C6_11 C5_11 C4_11 117.86(18) . . ?
C6_11 C5_11 C11_11 120.24(18) . . ?
C4_11 C5_11 C11_11 121.90(17) . . ?
C4_111 N5_11 C13_12 125.4(8) . . ?
C4_111 N5_11 C13_13 127.5(10) . . ?
C13_12 N5_11 C13_13 5.2(8) . . ?
C4_111 N5_11 C6_111 112.81(14) . . ?
C13_12 N5_11 C6_111 119.0(8) . . ?
C13_13 N5_11 C6_111 118.4(10) . . ?
C7_11 C6_11 C5_11 122.20(19) . . ?
C7_11 C6_11 H6_11 118.9 . . ?
C5_11 C6_11 H6_11 118.9 . . ?
C6_11 C7_11 C8_11 118.31(18) . . ?
C6_11 C7_11 C12_11 120.96(19) . . ?
C8_11 C7_11 C12_11 120.72(19) . . ?
C7_11 C8_11 C9_11 122.22(19) . . ?
C7_11 C8_11 H8_11 118.9 . . ?
C9_11 C8_11 H8_11 118.9 . . ?
C8_11 C9_11 C4_11 117.65(17) . . ?
C8_11 C9_11 C10_11 119.57(17) . . ?
C4_11 C9_11 C10_11 122.78(17) . . ?
C9_11 C10_11 H10A_11 109.5 . . ?
C9_11 C10_11 H10B_11 109.5 . . ?
H10A_11 C10_11 H10B_11 109.5 . . ?
C9_11 C10_11 H10C_11 109.5 . . ?
H10A_11 C10_11 H10C_11 109.5 . . ?
H10B_11 C10_11 H10C_11 109.5 . . ?
C5_11 C11_11 H11A_11 109.5 . . ?
C5_11 C11_11 H11B_11 109.5 . . ?
H11A_11 C11_11 H11B_11 109.5 . . ?
C5_11 C11_11 H11C_11 109.5 . . ?
H11A_11 C11_11 H11C_11 109.5 . . ?
H11B_11 C11_11 H11C_11 109.5 . . ?
C7_11 C12_11 H12A_11 109.5 . . ?
C7_11 C12_11 H12B_11 109.5 . . ?
H12A_11 C12_11 H12B_11 109.5 . . ?
C7_11 C12_11 H12C_11 109.5 . . ?
H12A_11 C12_11 H12C_11 109.5 . . ?
H12B_11 C12_11 H12C_11 109.5 . . ?
C14_13 C13_12 C18_12 110.3(8) . . ?
C14_13 C13_12 C14_12 11.5(5) . . ?
C18_12 C13_12 C14_12 121.4(7) . . ?
C14_13 C13_12 N5_11 129.1(9) . . ?
C18_12 C13_12 N5_11 120.4(7) . . ?
C14_12 C13_12 N5_11 117.7(7) . . ?
C14_13 C13_12 C18_13 118.9(9) . . ?
C18_12 C13_12 C18_13 8.6(5) . . ?
C14_12 C13_12 C18_13 129.9(8) . . ?
N5_11 C13_12 C18_13 111.8(7) . . ?
C21_13 C14_12 C15_12 110.4(8) . . ?
C21_13 C14_12 C13_12 132.0(8) . . ?
C15_12 C14_12 C13_12 117.6(6) . . ?
C21_13 C14_12 C21_12 10.5(6) . . ?
C15_12 C14_12 C21_12 119.6(5) . . ?
C13_12 C14_12 C21_12 122.6(5) . . ?
C21_13 C14_12 C13_13 134.7(9) . . ?
C15_12 C14_12 C13_13 114.9(7) . . ?
C13_12 C14_12 C13_13 2.8(10) . . ?
C21_12 C14_12 C13_13 125.3(7) . . ?
C21_13 C14_12 C15_13 124.6(9) . . ?
C15_12 C14_12 C15_13 14.6(4) . . ?
C13_12 C14_12 C15_13 103.2(6) . . ?
C21_12 C14_12 C15_13 134.1(6) . . ?
C13_13 C14_12 C15_13 100.6(8) . . ?
C14_13 C15_12 C14_12 10.7(7) . . ?
C14_13 C15_12 C16_12 112.0(7) . . ?
C14_12 C15_12 C16_12 122.5(5) . . ?
C14_13 C15_12 C16_13 104.0(7) . . ?
C14_12 C15_12 C16_13 114.5(5) . . ?
C16_12 C15_12 C16_13 8.2(4) . . ?
C14_13 C15_12 H15_12 129.1 . . ?
C14_12 C15_12 H15_12 118.8 . . ?
C16_12 C15_12 H15_12 118.8 . . ?
C16_13 C15_12 H15_12 126.7 . . ?
C15_13 C16_12 C17_12 114.5(7) . . ?
C15_13 C16_12 C15_12 6.7(7) . . ?
C17_12 C16_12 C15_12 118.2(5) . . ?
C15_13 C16_12 C20_12 125.0(7) . . ?
C17_12 C16_12 C20_12 120.2(5) . . ?
C15_12 C16_12 C20_12 121.7(4) . . ?
C15_13 C16_12 C20_13 147.7(8) . . ?
C17_12 C16_12 C20_13 96.4(5) . . ?
C15_12 C16_12 C20_13 145.2(5) . . ?
C20_12 C16_12 C20_13 24.0(3) . . ?
C15_13 C16_12 C17_13 115.8(7) . . ?
C17_12 C16_12 C17_13 1.4(5) . . ?
C15_12 C16_12 C17_13 119.5(5) . . ?
C20_12 C16_12 C17_13 118.8(5) . . ?
C20_13 C16_12 C17_13 95.1(5) . . ?
C16_13 C17_12 C16_12 14.1(5) . . ?
C16_13 C17_12 C18_12 135.0(7) . . ?
C16_12 C17_12 C18_12 121.8(5) . . ?
C16_13 C17_12 C18_13 142.6(10) . . ?
C16_12 C17_12 C18_13 129.3(7) . . ?
C18_12 C17_12 C18_13 7.6(7) . . ?
C16_13 C17_12 C15_13 39.7(5) . . ?
C16_12 C17_12 C15_13 26.3(3) . . ?
C18_12 C17_12 C15_13 95.5(4) . . ?
C18_13 C17_12 C15_13 103.1(6) . . ?
C16_13 C17_12 H17_12 105.7 . . ?
C16_12 C17_12 H17_12 119.1 . . ?
C18_12 C17_12 H17_12 119.1 . . ?
C18_13 C17_12 H17_12 111.6 . . ?
C15_13 C17_12 H17_12 145.3 . . ?
C13_13 C18_12 C17_13 137.6(10) . . ?
C13_13 C18_12 C13_12 2.5(10) . . ?
C17_13 C18_12 C13_12 135.1(7) . . ?
C13_13 C18_12 C17_12 120.7(8) . . ?
C17_13 C18_12 C17_12 16.9(5) . . ?
C13_12 C18_12 C17_12 118.2(6) . . ?
C13_13 C18_12 C19_12 119.0(8) . . ?
C17_13 C18_12 C19_12 103.3(7) . . ?
C13_12 C18_12 C19_12 121.6(6) . . ?
C17_12 C18_12 C19_12 120.2(5) . . ?
C13_13 C18_12 C19_13 112.3(8) . . ?
C17_13 C18_12 C19_13 109.9(9) . . ?
C13_12 C18_12 C19_13 114.9(7) . . ?
C17_12 C18_12 C19_13 126.8(7) . . ?
C19_12 C18_12 C19_13 7.0(5) . . ?
C18_13 C19_12 C18_12 1.2(8) . . ?
C18_13 C19_12 H19A_12 110.6 . . ?
C18_12 C19_12 H19A_12 109.5 . . ?
C18_13 C19_12 H19B_12 108.7 . . ?
C18_12 C19_12 H19B_12 109.5 . . ?
H19A_12 C19_12 H19B_12 109.5 . . ?
C18_13 C19_12 H19C_12 109.1 . . ?
C18_12 C19_12 H19C_12 109.5 . . ?
H19A_12 C19_12 H19C_12 109.5 . . ?
H19B_12 C19_12 H19C_12 109.5 . . ?
C20_13 C20_12 C16_12 88.4(8) . . ?
C20_13 C20_12 C16_13 71.0(7) . . ?
C16_12 C20_12 C16_13 17.4(3) . . ?
C20_13 C20_12 H20A_12 42.0 . . ?
C16_12 C20_12 H20A_12 109.5 . . ?
C16_13 C20_12 H20A_12 95.5 . . ?
C20_13 C20_12 H20B_12 83.9 . . ?
C16_12 C20_12 H20B_12 109.5 . . ?
C16_13 C20_12 H20B_12 106.2 . . ?
H20A_12 C20_12 H20B_12 109.5 . . ?
C20_13 C20_12 H20C_12 151.2 . . ?
C16_12 C20_12 H20C_12 109.5 . . ?
C16_13 C20_12 H20C_12 125.4 . . ?
H20A_12 C20_12 H20C_12 109.5 . . ?
H20B_12 C20_12 H20C_12 109.5 . . ?
C14_12 C21_12 C14_13 1.6(6) . . ?
C14_12 C21_12 H21A_12 109.5 . . ?
C14_13 C21_12 H21A_12 108.3 . . ?
C14_12 C21_12 H21B_12 109.5 . . ?
C14_13 C21_12 H21B_12 111.0 . . ?
H21A_12 C21_12 H21B_12 109.5 . . ?
C14_12 C21_12 H21C_12 109.5 . . ?
C14_13 C21_12 H21C_12 109.1 . . ?
H21A_12 C21_12 H21C_12 109.5 . . ?
H21B_12 C21_12 H21C_12 109.5 . . ?
C18_12 C13_13 C18_13 9.6(6) . . ?
C18_12 C13_13 C14_13 111.6(10) . . ?
C18_13 C13_13 C14_13 121.2(9) . . ?
C18_12 C13_13 N5_11 128.1(10) . . ?
C18_13 C13_13 N5_11 118.5(8) . . ?
C14_13 C13_13 N5_11 120.1(9) . . ?
C18_12 C13_13 C14_12 121.7(11) . . ?
C18_13 C13_13 C14_12 131.2(10) . . ?
C14_13 C13_13 C14_12 10.5(4) . . ?
N5_11 C13_13 C14_12 109.9(9) . . ?
C15_12 C14_13 C13_12 139.2(10) . . ?
C15_12 C14_13 C13_13 135.4(8) . . ?
C13_12 C14_13 C13_13 3.8(10) . . ?
C15_12 C14_13 C15_13 18.0(4) . . ?
C13_12 C14_13 C15_13 121.8(8) . . ?
C13_13 C14_13 C15_13 118.0(7) . . ?
C15_12 C14_13 C21_13 103.0(7) . . ?
C13_12 C14_13 C21_13 117.5(8) . . ?
C13_13 C14_13 C21_13 121.2(7) . . ?
C15_13 C14_13 C21_13 120.7(6) . . ?
C15_12 C14_13 C21_12 110.1(9) . . ?
C13_12 C14_13 C21_12 109.9(7) . . ?
C13_13 C14_13 C21_12 113.6(8) . . ?
C15_13 C14_13 C21_12 128.0(7) . . ?
C21_13 C14_13 C21_12 8.2(5) . . ?
C16_12 C15_13 C16_13 12.3(5) . . ?
C16_12 C15_13 C14_13 132.9(8) . . ?
C16_13 C15_13 C14_13 121.6(6) . . ?
C16_12 C15_13 C14_12 139.5(9) . . ?
C16_13 C15_13 C14_12 128.6(7) . . ?
C14_13 C15_13 C14_12 7.4(6) . . ?
C16_12 C15_13 C17_12 39.2(5) . . ?
C16_13 C15_13 C17_12 27.7(4) . . ?
C14_13 C15_13 C17_12 93.9(5) . . ?
C14_12 C15_13 C17_12 100.9(5) . . ?
C16_12 C15_13 H15_13 107.7 . . ?
C16_13 C15_13 H15_13 119.2 . . ?
C14_13 C15_13 H15_13 119.2 . . ?
C14_12 C15_13 H15_13 112.1 . . ?
C17_12 C15_13 H15_13 146.8 . . ?
C17_12 C16_13 C15_13 112.6(8) . . ?
C17_12 C16_13 C17_13 5.7(7) . . ?
C15_13 C16_13 C17_13 118.2(6) . . ?
C17_12 C16_13 C20_13 126.6(8) . . ?
C15_13 C16_13 C20_13 120.8(6) . . ?
C17_13 C16_13 C20_13 121.0(6) . . ?
C17_12 C16_13 C20_12 150.3(9) . . ?
C15_13 C16_13 C20_12 96.5(5) . . ?
C17_13 C16_13 C20_12 144.9(6) . . ?
C20_13 C16_13 C20_12 24.7(3) . . ?
C17_12 C16_13 C15_12 112.3(7) . . ?
C15_13 C16_13 C15_12 3.4(5) . . ?
C17_13 C16_13 C15_12 118.0(6) . . ?
C20_13 C16_13 C15_12 120.9(5) . . ?
C20_12 C16_13 C15_12 96.4(5) . . ?
C18_12 C17_13 C18_13 10.0(7) . . ?
C18_12 C17_13 C16_13 112.6(8) . . ?
C18_13 C17_13 C16_13 122.7(6) . . ?
C18_12 C17_13 C16_12 103.6(7) . . ?
C18_13 C17_13 C16_12 113.5(6) . . ?
C16_13 C17_13 C16_12 9.7(4) . . ?
C18_12 C17_13 H17_13 128.7 . . ?
C18_13 C17_13 H17_13 118.7 . . ?
C16_13 C17_13 H17_13 118.7 . . ?
C16_12 C17_13 H17_13 127.7 . . ?
C19_12 C18_13 C17_13 112.2(9) . . ?
C19_12 C18_13 C13_13 129.8(9) . . ?
C17_13 C18_13 C13_13 118.0(7) . . ?
C19_12 C18_13 C19_13 8.4(6) . . ?
C17_13 C18_13 C19_13 120.1(7) . . ?
C13_13 C18_13 C19_13 121.8(8) . . ?
C19_12 C18_13 C13_12 131.3(9) . . ?
C17_13 C18_13 C13_12 116.5(7) . . ?
C13_13 C18_13 C13_12 1.6(9) . . ?
C19_13 C18_13 C13_12 123.3(8) . . ?
C19_12 C18_13 C17_12 126.6(11) . . ?
C17_13 C18_13 C17_12 14.4(5) . . ?
C13_13 C18_13 C17_12 103.6(8) . . ?
C19_13 C18_13 C17_12 134.5(8) . . ?
C13_12 C18_13 C17_12 102.0(7) . . ?
C18_13 C19_13 C18_12 0.2(8) . . ?
C18_13 C19_13 H19A_13 109.5 . . ?
C18_12 C19_13 H19A_13 109.7 . . ?
C18_13 C19_13 H19B_13 109.5 . . ?
C18_12 C19_13 H19B_13 109.3 . . ?
H19A_13 C19_13 H19B_13 109.5 . . ?
C18_13 C19_13 H19C_13 109.5 . . ?
C18_12 C19_13 H19C_13 109.4 . . ?
H19A_13 C19_13 H19C_13 109.5 . . ?
H19B_13 C19_13 H19C_13 109.5 . . ?
C20_12 C20_13 C16_13 84.3(8) . . ?
C20_12 C20_13 C16_12 67.6(8) . . ?
C16_13 C20_13 C16_12 16.7(3) . . ?
C20_12 C20_13 H20A_13 153.1 . . ?
C16_13 C20_13 H20A_13 109.5 . . ?
C16_12 C20_13 H20A_13 124.5 . . ?
C20_12 C20_13 H20B_13 86.1 . . ?
C16_13 C20_13 H20B_13 109.5 . . ?
C16_12 C20_13 H20B_13 107.1 . . ?
H20A_13 C20_13 H20B_13 109.5 . . ?
C20_12 C20_13 H20C_13 43.6 . . ?
C16_13 C20_13 H20C_13 109.5 . . ?
C16_12 C20_13 H20C_13 95.6 . . ?
H20A_13 C20_13 H20C_13 109.5 . . ?
H20B_13 C20_13 H20C_13 109.5 . . ?
C14_12 C21_13 C14_13 3.8(7) . . ?
C14_12 C21_13 H21A_13 113.2 . . ?
C14_13 C21_13 H21A_13 109.5 . . ?
C14_12 C21_13 H21B_13 106.9 . . ?
C14_13 C21_13 H21B_13 109.5 . . ?
H21A_13 C21_13 H21B_13 109.5 . . ?
C14_12 C21_13 H21C_13 108.3 . . ?
C14_13 C21_13 H21C_13 109.5 . . ?
H21A_13 C21_13 H21C_13 109.5 . . ?
H21B_13 C21_13 H21C_13 109.5 . . ?
C5_91 C1_9 C2_9 12.1(5) . . ?
C5_91 C1_9 C6_9 122.7(4) . . ?
C2_9 C1_9 C6_9 120.0 . . ?
C5_91 C1_9 C1_91 108.7(4) . . ?
C2_9 C1_9 C1_91 99.8(2) . . ?
C6_9 C1_9 C1_91 35.9(3) . . ?
C5_91 C1_9 H1_9 116.0 . . ?
C2_9 C1_9 H1_9 120.0 . . ?
C6_9 C1_9 H1_9 120.0 . . ?
C1_91 C1_9 H1_9 129.8 . . ?
C4_91 C2_9 C3_9 22.0(4) . . ?
C4_91 C2_9 C1_9 122.3(3) . . ?
C3_9 C2_9 C1_9 120.0 . . ?
C4_91 C2_9 C6_91 121.1(4) . . ?
C3_9 C2_9 C6_91 111.2(2) . . ?
C1_9 C2_9 C6_91 19.0(3) . . ?
C4_91 C2_9 H2_9 113.1 . . ?
C3_9 C2_9 H2_9 120.0 . . ?
C1_9 C2_9 H2_9 120.0 . . ?
C6_91 C2_9 H2_9 125.8 . . ?
C4_91 C3_9 C3_91 117.3(13) . . ?
C4_91 C3_9 C2_9 63.6(10) . . ?
C3_91 C3_9 C2_9 134.4(3) . . ?
C4_91 C3_9 C4_9 113.1(10) . . ?
C3_91 C3_9 C4_9 14.4(3) . . ?
C2_9 C3_9 C4_9 120.0 . . ?
C4_91 C3_9 C5_91 57.2(7) . . ?
C3_91 C3_9 C5_91 127.4(5) . . ?
C2_9 C3_9 C5_91 10.7(4) . . ?
C4_9 C3_9 C5_91 113.1(3) . . ?
C4_91 C3_9 H3_9 92.9 . . ?
C3_91 C3_9 H3_9 105.6 . . ?
C2_9 C3_9 H3_9 120.0 . . ?
C4_9 C3_9 H3_9 120.0 . . ?
C5_91 C3_9 H3_9 126.1 . . ?
C2_91 C4_9 C5_9 42.2(4) . . ?
C2_91 C4_9 C3_9 116.5(4) . . ?
C5_9 C4_9 C3_9 120.0 . . ?
C2_91 C4_9 C4_91 123.7(5) . . ?
C5_9 C4_9 C4_91 113.6(3) . . ?
C3_9 C4_9 C4_91 16.8(3) . . ?
C2_91 C4_9 H4_9 107.2 . . ?
C5_9 C4_9 H4_9 120.0 . . ?
C3_9 C4_9 H4_9 120.0 . . ?
C4_91 C4_9 H4_9 123.8 . . ?
C2_91 C5_9 C1_91 72.9(5) . . ?
C2_91 C5_9 C4_9 48.7(4) . . ?
C1_91 C5_9 C4_9 103.0(3) . . ?
C2_91 C5_9 C6_9 114.5(5) . . ?
C1_91 C5_9 C6_9 44.5(3) . . ?
C4_9 C5_9 C6_9 120.0 . . ?
C2_91 C5_9 C3_91 49.3(3) . . ?
C1_91 C5_9 C3_91 98.9(3) . . ?
C4_9 C5_9 C3_91 5.5(2) . . ?
C6_9 C5_9 C3_91 114.5(2) . . ?
C2_91 C5_9 H5_9 104.3 . . ?
C1_91 C5_9 H5_9 119.2 . . ?
C4_9 C5_9 H5_9 120.0 . . ?
C6_9 C5_9 H5_9 120.0 . . ?
C3_91 C5_9 H5_9 125.5 . . ?
C1_91 C6_9 C6_91 72.7(5) . . ?
C1_91 C6_9 C5_9 65.2(4) . . ?
C6_91 C6_9 C5_9 115.1(3) . . ?
C1_91 C6_9 C1_9 92.2(4) . . ?
C6_91 C6_9 C1_9 20.8(4) . . ?
C5_9 C6_9 C1_9 120.0 . . ?
C1_91 C6_9 C2_91 42.2(3) . . ?
C6_91 C6_9 C2_91 93.0(3) . . ?
C5_9 C6_9 C2_91 25.6(2) . . ?
C1_9 C6_9 C2_91 103.65(19) . . ?
C1_91 C6_9 H6_9 112.4 . . ?
C6_91 C6_9 H6_9 120.7 . . ?
C5_9 C6_9 H6_9 120.0 . . ?
C1_9 C6_9 H6_9 120.0 . . ?
C2_91 C6_9 H6_9 131.8 . . ?
C6_9 C1_91 C5_9 70.3(4) . . ?
C6_9 C1_91 C2_91 107.8(4) . . ?
C5_9 C1_91 C2_91 40.0(3) . . ?
C6_9 C1_91 C6_91 62.0(5) . . ?
C5_9 C1_91 C6_91 111.7(3) . . ?
C2_91 C1_91 C6_91 120.0 . . ?
C6_9 C1_91 C1_9 51.9(3) . . ?
C5_9 C1_91 C1_9 100.8(4) . . ?
C2_91 C1_91 C1_9 114.8(3) . . ?
C6_91 C1_91 C1_9 11.7(3) . . ?
C6_9 C1_91 H1_91 99.5 . . ?
C5_9 C1_91 H1_91 113.4 . . ?
C2_91 C1_91 H1_91 120.0 . . ?
C6_91 C1_91 H1_91 120.0 . . ?
C1_9 C1_91 H1_91 124.0 . . ?
C5_9 C2_91 C4_9 89.1(7) . . ?
C5_9 C2_91 C3_91 100.1(5) . . ?
C4_9 C2_91 C3_91 13.1(4) . . ?
C5_9 C2_91 C1_91 67.1(5) . . ?
C4_9 C2_91 C1_91 122.1(4) . . ?
C3_91 C2_91 C1_91 120.0 . . ?
C5_9 C2_91 C6_9 40.0(3) . . ?
C4_9 C2_91 C6_9 101.6(5) . . ?
C3_91 C2_91 C6_9 105.4(2) . . ?
C1_91 C2_91 C6_9 30.0(3) . . ?
C5_9 C2_91 H2_91 102.4 . . ?
C4_9 C2_91 H2_91 116.3 . . ?
C3_91 C2_91 H2_91 120.0 . . ?
C1_91 C2_91 H2_91 120.0 . . ?
C6_9 C2_91 H2_91 126.8 . . ?
C3_9 C3_91 C2_91 114.5(4) . . ?
C3_9 C3_91 C4_91 19.5(5) . . ?
C2_91 C3_91 C4_91 120.0 . . ?
C3_9 C3_91 C5_9 111.1(4) . . ?
C2_91 C3_91 C5_9 30.6(3) . . ?
C4_91 C3_91 C5_9 105.9(3) . . ?
C3_9 C3_91 H3_91 121.8 . . ?
C2_91 C3_91 H3_91 120.0 . . ?
C4_91 C3_91 H3_91 120.0 . . ?
C5_9 C3_91 H3_91 125.9 . . ?
C3_9 C4_91 C2_9 94.4(11) . . ?
C3_9 C4_91 C5_91 104.4(9) . . ?
C2_9 C4_91 C5_91 14.0(4) . . ?
C3_9 C4_91 C3_91 43.2(9) . . ?
C2_9 C4_91 C3_91 118.7(3) . . ?
C5_91 C4_91 C3_91 120.0 . . ?
C3_9 C4_91 C4_9 50.1(7) . . ?
C2_9 C4_91 C4_9 110.6(4) . . ?
C5_91 C4_91 C4_9 109.4(2) . . ?
C3_91 C4_91 C4_9 13.0(2) . . ?
C3_9 C4_91 H4_91 118.7 . . ?
C2_9 C4_91 H4_91 119.4 . . ?
C5_91 C4_91 H4_91 120.0 . . ?
C3_91 C4_91 H4_91 120.0 . . ?
C4_9 C4_91 H4_91 129.9 . . ?
C1_9 C5_91 C6_91 19.9(4) . . ?
C1_9 C5_91 C4_91 129.4(3) . . ?
C6_91 C5_91 C4_91 120.0 . . ?
C1_9 C5_91 C3_9 120.0(4) . . ?
C6_91 C5_91 C3_9 106.1(2) . . ?
C4_91 C5_91 C3_9 18.4(3) . . ?
C1_9 C5_91 H5_91 107.8 . . ?
C6_91 C5_91 H5_91 120.0 . . ?
C4_91 C5_91 H5_91 120.0 . . ?
C3_9 C5_91 H5_91 132.2 . . ?
C6_9 C6_91 C5_91 114.1(4) . . ?
C6_9 C6_91 C1_91 45.3(4) . . ?
C5_91 C6_91 C1_91 120.0 . . ?
C6_9 C6_91 C2_9 118.6(5) . . ?
C5_91 C6_91 C2_9 13.0(4) . . ?
C1_91 C6_91 C2_9 113.4(3) . . ?
C6_9 C6_91 H6_91 107.2 . . ?
C5_91 C6_91 H6_91 120.0 . . ?
C1_91 C6_91 H6_91 120.0 . . ?
C2_9 C6_91 H6_91 125.3 . . ?
C3_101 C1_10 C4_101 103.5(7) . . ?
C3_101 C1_10 C2_10 155.8(5) . . ?
C4_101 C1_10 C2_10 52.9(4) . . ?
C3_101 C1_10 C6_10 41.2(5) . . ?
C4_101 C1_10 C6_10 69.7(3) . . ?
C2_10 C1_10 C6_10 120.0 . . ?
C3_101 C1_10 H1_10 80.8 . . ?
C4_101 C1_10 H1_10 162.1 . . ?
C2_10 C1_10 H1_10 120.0 . . ?
C6_10 C1_10 H1_10 120.0 . . ?
C4_101 C2_10 C3_10 78.3(4) . . ?
C4_101 C2_10 C1_10 43.8(4) . . ?
C3_10 C2_10 C1_10 120.0 . . ?
C4_101 C2_10 H2_10 157.6 . . ?
C3_10 C2_10 H2_10 120.0 . . ?
C1_10 C2_10 H2_10 120.0 . . ?
C2_10 C3_10 C4_10 120.0 . . ?
C2_10 C3_10 C5_101 95.6(3) . . ?
C4_10 C3_10 C5_101 24.9(3) . . ?
C2_10 C3_10 C4_101 43.2(2) . . ?
C4_10 C3_10 C4_101 77.8(2) . . ?
C5_101 C3_10 C4_101 53.0(2) . . ?
C2_10 C3_10 H3_10 120.0 . . ?
C4_10 C3_10 H3_10 120.0 . . ?
C5_101 C3_10 H3_10 144.0 . . ?
C4_101 C3_10 H3_10 160.0 . . ?
C5_101 C4_10 C5_10 33.8(7) . . ?
C5_101 C4_10 C3_10 88.7(7) . . ?
C5_10 C4_10 C3_10 120.0 . . ?
C5_101 C4_10 C6_101 53.4(7) . . ?
C5_10 C4_10 C6_101 20.4(2) . . ?
C3_10 C4_10 C6_101 140.3(2) . . ?
C5_101 C4_10 C4_101 32.9(7) . . ?
C5_10 C4_10 C4_101 64.67(18) . . ?
C3_10 C4_10 C4_101 55.98(18) . . ?
C6_101 C4_10 C4_101 85.0(3) . . ?
C5_101 C4_10 H4_10 148.7 . . ?
C5_10 C4_10 H4_10 120.0 . . ?
C3_10 C4_10 H4_10 120.0 . . ?
C6_101 C4_10 H4_10 99.7 . . ?
C4_101 C4_10 H4_10 170.9 . . ?
C6_101 C5_10 C5_101 128.0(10) . . ?
C6_101 C5_10 C4_10 107.0(9) . . ?
C5_101 C5_10 C4_10 22.5(4) . . ?
C6_101 C5_10 C6_10 132.7(9) . . ?
C5_101 C5_10 C6_10 99.2(4) . . ?
C4_10 C5_10 C6_10 120.0 . . ?
C6_101 C5_10 C1_101 67.7(7) . . ?
C5_101 C5_10 C1_101 163.8(6) . . ?
C4_10 C5_10 C1_101 173.1(4) . . ?
C6_10 C5_10 C1_101 65.0(3) . . ?
C6_101 C5_10 C4_101 175.8(11) . . ?
C5_101 C5_10 C4_101 49.6(3) . . ?
C4_10 C5_10 C4_101 71.0(2) . . ?
C6_10 C5_10 C4_101 49.7(2) . . ?
C1_101 C5_10 C4_101 114.5(4) . . ?
C6_101 C5_10 H5_10 13.7 . . ?
C5_101 C5_10 H5_10 139.8 . . ?
C4_10 C5_10 H5_10 120.0 . . ?
C6_10 C5_10 H5_10 120.0 . . ?
C1_101 C5_10 H5_10 55.3 . . ?
C4_101 C5_10 H5_10 166.3 . . ?
C3_101 C6_10 C2_101 86.8(5) . . ?
C3_101 C6_10 C5_10 150.0(5) . . ?
C2_101 C6_10 C5_10 121.4(5) . . ?
C3_101 C6_10 C1_10 33.6(5) . . ?
C2_101 C6_10 C1_10 118.6(5) . . ?
C5_10 C6_10 C1_10 120.0 . . ?
C3_101 C6_10 C4_101 70.0(4) . . ?
C2_101 C6_10 C4_101 156.0(6) . . ?
C5_10 C6_10 C4_101 80.7(3) . . ?
C1_10 C6_10 C4_101 40.7(3) . . ?
C3_101 C6_10 C1_101 146.9(6) . . ?
C2_101 C6_10 C1_101 60.6(3) . . ?
C5_10 C6_10 C1_101 61.0(4) . . ?
C1_10 C6_10 C1_101 175.1(4) . . ?
C4_101 C6_10 C1_101 141.3(5) . . ?
C3_101 C6_10 C5_101 119.7(5) . . ?
C2_101 C6_10 C5_101 151.7(5) . . ?
C5_10 C6_10 C5_101 30.8(3) . . ?
C1_10 C6_10 C5_101 89.5(3) . . ?
C4_101 C6_10 C5_101 49.9(2) . . ?
C1_101 C6_10 C5_101 91.7(3) . . ?
C3_101 C6_10 C6_101 163.0(6) . . ?
C2_101 C6_10 C6_101 107.6(4) . . ?
C5_10 C6_10 C6_101 13.9(3) . . ?
C1_10 C6_10 C6_101 133.8(3) . . ?
C4_101 C6_10 C6_101 94.5(3) . . ?
C1_101 C6_10 C6_101 47.03(17) . . ?
C5_101 C6_10 C6_101 44.73(16) . . ?
C3_101 C6_10 H6_10 88.1 . . ?
C2_101 C6_10 H6_10 1.6 . . ?
C5_10 C6_10 H6_10 120.0 . . ?
C1_10 C6_10 H6_10 120.0 . . ?
C4_101 C6_10 H6_10 156.9 . . ?
C1_101 C6_10 H6_10 59.3 . . ?
C5_101 C6_10 H6_10 150.1 . . ?
C6_101 C6_10 H6_10 106.1 . . ?
C2_101 C1_101 C6_101 120.0 . . ?
C2_101 C1_101 C5_10 96.1(2) . . ?
C6_101 C1_101 C5_10 23.9(2) . . ?
C2_101 C1_101 C6_10 42.1(2) . . ?
C6_101 C1_101 C6_10 78.0(2) . . ?
C5_10 C1_101 C6_10 54.1(2) . . ?
C2_101 C1_101 H1_101 120.0 . . ?
C6_101 C1_101 H1_101 120.0 . . ?
C5_10 C1_101 H1_101 143.9 . . ?
C6_10 C1_101 H1_101 161.8 . . ?
C6_10 C2_101 C1_101 77.2(3) . . ?
C6_10 C2_101 C3_101 43.0(3) . . ?
C1_101 C2_101 C3_101 120.0 . . ?
C6_10 C2_101 H2_101 162.2 . . ?
C1_101 C2_101 H2_101 120.0 . . ?
C3_101 C2_101 H2_101 120.0 . . ?
C1_10 C3_101 C6_10 105.1(7) . . ?
C1_10 C3_101 C2_101 150.5(6) . . ?
C6_10 C3_101 C2_101 50.2(4) . . ?
C1_10 C3_101 C4_101 42.6(5) . . ?
C6_10 C3_101 C4_101 70.1(4) . . ?
C2_101 C3_101 C4_101 120.0 . . ?
C1_10 C3_101 H3_101 82.2 . . ?
C6_10 C3_101 H3_101 168.7 . . ?
C2_101 C3_101 H3_101 120.0 . . ?
C4_101 C3_101 H3_101 120.0 . . ?
C1_10 C4_101 C2_10 83.4(5) . . ?
C1_10 C4_101 C5_101 146.0(5) . . ?
C2_10 C4_101 C5_101 118.3(6) . . ?
C1_10 C4_101 C3_101 33.9(4) . . ?
C2_10 C4_101 C3_101 117.1(6) . . ?
C5_101 C4_101 C3_101 120.0 . . ?
C1_10 C4_101 C6_10 69.6(4) . . ?
C2_10 C4_101 C6_10 147.6(8) . . ?
C5_101 C4_101 C6_10 80.2(3) . . ?
C3_101 C4_101 C6_10 39.9(3) . . ?
C1_10 C4_101 C3_10 138.4(6) . . ?
C2_10 C4_101 C3_10 58.5(3) . . ?
C5_101 C4_101 C3_10 60.6(4) . . ?
C3_101 C4_101 C3_10 167.2(5) . . ?
C6_10 C4_101 C3_10 137.0(5) . . ?
C1_10 C4_101 C5_10 117.7(5) . . ?
C2_10 C4_101 C5_10 144.0(6) . . ?
C5_101 C4_101 C5_10 30.6(2) . . ?
C3_101 C4_101 C5_10 89.4(2) . . ?
C6_10 C4_101 C5_10 49.66(19) . . ?
C3_10 C4_101 C5_10 90.1(4) . . ?
C1_10 C4_101 C4_10 153.0(7) . . ?
C2_10 C4_101 C4_10 103.9(5) . . ?
C5_101 C4_101 C4_10 14.4(3) . . ?
C3_101 C4_101 C4_10 133.4(3) . . ?
C6_10 C4_101 C4_10 93.5(3) . . ?
C3_10 C4_101 C4_10 46.2(2) . . ?
C5_10 C4_101 C4_10 44.28(17) . . ?
C1_10 C4_101 H4_101 90.0 . . ?
C2_10 C4_101 H4_101 21.7 . . ?
C5_101 C4_101 H4_101 120.0 . . ?
C3_101 C4_101 H4_101 120.0 . . ?
C6_10 C4_101 H4_101 159.5 . . ?
C3_10 C4_101 H4_101 61.1 . . ?
C5_10 C4_101 H4_101 150.6 . . ?
C4_10 C4_101 H4_101 106.3 . . ?
C4_10 C5_101 C5_10 123.8(11) . . ?
C4_10 C5_101 C6_101 105.0(9) . . ?
C5_10 C5_101 C6_101 20.2(4) . . ?
C4_10 C5_101 C4_101 132.7(9) . . ?
C5_10 C5_101 C4_101 99.9(4) . . ?
C6_101 C5_101 C4_101 120.0 . . ?
C4_10 C5_101 C3_10 66.4(6) . . ?
C5_10 C5_101 C3_10 159.1(9) . . ?
C6_101 C5_101 C3_10 165.4(5) . . ?
C4_101 C5_101 C3_10 66.5(4) . . ?
C4_10 C5_101 C6_10 162.1(12) . . ?
C5_10 C5_101 C6_10 50.0(3) . . ?
C6_101 C5_101 C6_10 70.2(2) . . ?
C4_101 C5_101 C6_10 49.9(2) . . ?
C3_10 C5_101 C6_10 114.1(5) . . ?
C4_10 C5_101 H5_101 20.5 . . ?
C5_10 C5_101 H5_101 140.1 . . ?
C6_101 C5_101 H5_101 120.0 . . ?
C4_101 C5_101 H5_101 120.0 . . ?
C3_10 C5_101 H5_101 55.4 . . ?
C6_10 C5_101 H5_101 169.5 . . ?
C5_10 C6_101 C5_101 31.8(7) . . ?
C5_10 C6_101 C1_101 88.3(7) . . ?
C5_101 C6_101 C1_101 120.0 . . ?
C5_10 C6_101 C4_10 52.6(7) . . ?
C5_101 C6_101 C4_10 21.6(3) . . ?
C1_101 C6_101 C4_10 140.6(3) . . ?
C5_10 C6_101 C6_10 33.3(6) . . ?
C5_101 C6_101 C6_10 65.09(19) . . ?
C1_101 C6_101 C6_10 54.98(19) . . ?
C4_10 C6_101 C6_10 85.8(3) . . ?
C5_10 C6_101 H6_101 151.6 . . ?
C5_101 C6_101 H6_101 120.0 . . ?
C1_101 C6_101 H6_101 120.0 . . ?
C4_10 C6_101 H6_101 99.0 . . ?
C6_10 C6_101 H6_101 174.3 . . ?
C2_14 C1_14 H1A_14 109.5 . . ?
C2_14 C1_14 H1B_14 109.5 . . ?
H1A_14 C1_14 H1B_14 109.5 . . ?
C2_14 C1_14 H1C_14 109.5 . . ?
H1A_14 C1_14 H1C_14 109.5 . . ?
H1B_14 C1_14 H1C_14 109.5 . . ?
C3_14 C2_14 C1_14 116.1(15) . . ?
C3_14 C2_14 H2A_14 108.3 . . ?
C1_14 C2_14 H2A_14 108.3 . . ?
C3_14 C2_14 H2AB_14 108.3 . . ?
C1_14 C2_14 H2AB_14 108.3 . . ?
H2A_14 C2_14 H2AB_14 107.4 . . ?
C2_14 C3_14 C4_14 114.7(14) . . ?
C2_14 C3_14 H3A_14 108.6 . . ?
C4_14 C3_14 H3A_14 108.6 . . ?
C2_14 C3_14 H3AB_14 108.6 . . ?
C4_14 C3_14 H3AB_14 108.6 . . ?
H3A_14 C3_14 H3AB_14 107.6 . . ?
C5_14 C4_14 C3_14 112.1(14) . . ?
C5_14 C4_14 H4A_14 109.2 . . ?
C3_14 C4_14 H4A_14 109.2 . . ?
C5_14 C4_14 H4AB_14 109.2 . . ?
C3_14 C4_14 H4AB_14 109.2 . . ?
H4A_14 C4_14 H4AB_14 107.9 . . ?
C6_14 C5_14 C4_14 121.5(17) . . ?
C6_14 C5_14 H5A_14 107.0 . . ?
C4_14 C5_14 H5A_14 107.0 . . ?
C6_14 C5_14 H5AB_14 107.0 . . ?
C4_14 C5_14 H5AB_14 107.0 . . ?
H5A_14 C5_14 H5AB_14 106.7 . . ?
C5_14 C6_14 H6A_14 109.5 . . ?
C5_14 C6_14 H6B_14 109.5 . . ?
H6A_14 C6_14 H6B_14 109.5 . . ?
C5_14 C6_14 H6C_14 109.5 . . ?
H6A_14 C6_14 H6C_14 109.5 . . ?
H6B_14 C6_14 H6C_14 109.5 . . ?
N5_11 C4_111 N4_11 108.85(15) . . ?
N5_11 C4_111 B1_8 127.11(15) . . ?
N4_11 C4_111 B1_8 124.01(16) . . ?
N4_11 C5_111 C6_111 103.15(14) . . ?
N4_11 C5_111 H5A_111 111.1 . . ?
C6_111 C5_111 H5A_111 111.1 . . ?
N4_11 C5_111 H5AB_111 111.1 . . ?
C6_111 C5_111 H5AB_111 111.1 . . ?
H5A_111 C5_111 H5AB_111 109.1 . . ?
N5_11 C6_111 C5_111 102.38(15) . . ?
N5_11 C6_111 H6A_111 111.3 . . ?
C5_111 C6_111 H6A_111 111.3 . . ?
N5_11 C6_111 H6AB_111 111.3 . . ?
C5_111 C6_111 H6AB_111 111.3 . . ?
H6A_111 C6_111 H6AB_111 109.2 . . ?
N4_5 C4_51 N5_5 109.09(17) . . ?
N4_5 C4_51 B1_3 123.77(16) . . ?
N5_5 C4_51 B1_3 126.88(17) . . ?
N4_5 C5_51 C6_51 103.15(16) . . ?
N4_5 C5_51 H5A_51 111.1 . . ?
C6_51 C5_51 H5A_51 111.1 . . ?
N4_5 C5_51 H5AB_51 111.1 . . ?
C6_51 C5_51 H5AB_51 111.1 . . ?
H5A_51 C5_51 H5AB_51 109.1 . . ?
N5_5 C6_51 C5_51 103.07(15) . . ?
N5_5 C6_51 H6A_51 111.2 . . ?
C5_51 C6_51 H6A_51 111.2 . . ?
N5_5 C6_51 H6AB_51 111.2 . . ?
C5_51 C6_51 H6AB_51 111.2 . . ?
H6A_51 C6_51 H6AB_51 109.1 . . ?
 
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
C14_1 C1_1 C2_1 C3_1 168.09(18) . . . . ?
B1_3 C1_1 C2_1 C3_1 -17.5(3) . . . . ?
C14_1 C1_1 C2_1 C11_1 -9.9(3) . . . . ?
B1_3 C1_1 C2_1 C11_1 164.60(17) . . . . ?
C1_1 C2_1 C3_1 C4_1 177.23(17) . . . . ?
C11_1 C2_1 C3_1 C4_1 -4.8(3) . . . . ?
C1_1 C2_1 C3_1 B2_3 -7.2(3) . . . . ?
C11_1 C2_1 C3_1 B2_3 170.75(17) . . . . ?
C2_1 C3_1 C4_1 C5_1 -176.27(18) . . . . ?
B2_3 C3_1 C4_1 C5_1 8.4(3) . . . . ?
C2_1 C3_1 C4_1 C9_1 1.8(3) . . . . ?
B2_3 C3_1 C4_1 C9_1 -173.54(17) . . . . ?
C3_1 C4_1 C5_1 C6_1 179.49(19) . . . . ?
C9_1 C4_1 C5_1 C6_1 1.4(3) . . . . ?
C4_1 C5_1 C6_1 C7_1 -0.3(3) . . . . ?
C5_1 C6_1 C7_1 C8_1 -0.7(3) . . . . ?
C6_1 C7_1 C8_1 C9_1 0.6(3) . . . . ?
C7_1 C8_1 C9_1 C10_1 179.4(2) . . . . ?
C7_1 C8_1 C9_1 C4_1 0.5(3) . . . . ?
C3_1 C4_1 C9_1 C10_1 1.5(3) . . . . ?
C5_1 C4_1 C9_1 C10_1 179.65(18) . . . . ?
C3_1 C4_1 C9_1 C8_1 -179.60(18) . . . . ?
C5_1 C4_1 C9_1 C8_1 -1.4(3) . . . . ?
C8_1 C9_1 C10_1 C11_1 179.46(19) . . . . ?
C4_1 C9_1 C10_1 C11_1 -1.6(3) . . . . ?
C9_1 C10_1 C11_1 C12_1 176.2(2) . . . . ?
C9_1 C10_1 C11_1 C2_1 -1.4(3) . . . . ?
C3_1 C2_1 C11_1 C10_1 4.7(3) . . . . ?
C1_1 C2_1 C11_1 C10_1 -177.29(18) . . . . ?
C3_1 C2_1 C11_1 C12_1 -172.91(18) . . . . ?
C1_1 C2_1 C11_1 C12_1 5.1(3) . . . . ?
C10_1 C11_1 C12_1 C13_1 -175.2(2) . . . . ?
C2_1 C11_1 C12_1 C13_1 2.4(3) . . . . ?
C11_1 C12_1 C13_1 C14_1 -5.0(3) . . . . ?
C2_1 C1_1 C14_1 C13_1 7.6(3) . . . . ?
B1_3 C1_1 C14_1 C13_1 -167.02(18) . . . . ?
C12_1 C13_1 C14_1 C1_1 -0.1(3) . . . . ?
C14_2 C1_2 C2_2 C3_2 178.42(17) . . . . ?
B2_3 C1_2 C2_2 C3_2 2.2(3) . . . . ?
C14_2 C1_2 C2_2 C7_2 -2.4(3) . . . . ?
B2_3 C1_2 C2_2 C7_2 -178.62(17) . . . . ?
C1_2 C2_2 C3_2 C4_2 178.72(18) . . . . ?
C7_2 C2_2 C3_2 C4_2 -0.5(3) . . . . ?
C2_2 C3_2 C4_2 C5_2 -0.5(3) . . . . ?
C3_2 C4_2 C5_2 C6_2 1.0(3) . . . . ?
C4_2 C5_2 C6_2 C7_2 -0.4(3) . . . . ?
C5_2 C6_2 C7_2 C8_2 -179.55(18) . . . . ?
C5_2 C6_2 C7_2 C2_2 -0.7(3) . . . . ?
C1_2 C2_2 C7_2 C8_2 0.8(3) . . . . ?
C3_2 C2_2 C7_2 C8_2 180.00(17) . . . . ?
C1_2 C2_2 C7_2 C6_2 -178.14(17) . . . . ?
C3_2 C2_2 C7_2 C6_2 1.1(3) . . . . ?
C6_2 C7_2 C8_2 C9_2 -179.99(18) . . . . ?
C2_2 C7_2 C8_2 C9_2 1.2(3) . . . . ?
C7_2 C8_2 C9_2 C10_2 179.62(18) . . . . ?
C7_2 C8_2 C9_2 C14_2 -1.4(3) . . . . ?
C8_2 C9_2 C10_2 C11_2 -178.95(18) . . . . ?
C14_2 C9_2 C10_2 C11_2 2.1(3) . . . . ?
C9_2 C10_2 C11_2 C12_2 -0.2(3) . . . . ?
C10_2 C11_2 C12_2 C13_2 -1.3(3) . . . . ?
C11_2 C12_2 C13_2 C14_2 0.8(3) . . . . ?
C2_2 C1_2 C14_2 C9_2 2.1(3) . . . . ?
B2_3 C1_2 C14_2 C9_2 178.68(16) . . . . ?
C2_2 C1_2 C14_2 C13_2 -176.59(16) . . . . ?
B2_3 C1_2 C14_2 C13_2 0.0(3) . . . . ?
C8_2 C9_2 C14_2 C1_2 -0.3(3) . . . . ?
C10_2 C9_2 C14_2 C1_2 178.72(17) . . . . ?
C8_2 C9_2 C14_2 C13_2 178.47(16) . . . . ?
C10_2 C9_2 C14_2 C13_2 -2.5(3) . . . . ?
C12_2 C13_2 C14_2 C1_2 179.91(17) . . . . ?
C12_2 C13_2 C14_2 C9_2 1.1(3) . . . . ?
C14_1 C1_1 B1_3 N1_4 -164.12(17) . . . . ?
C2_1 C1_1 B1_3 N1_4 21.5(2) . . . . ?
C14_1 C1_1 B1_3 C4_51 72.6(2) . . . . ?
C2_1 C1_1 B1_3 C4_51 -101.8(2) . . . . ?
C2_1 C3_1 B2_3 N1_4 26.6(3) . . . . ?
C4_1 C3_1 B2_3 N1_4 -158.08(17) . . . . ?
C2_1 C3_1 B2_3 C1_2 -143.59(18) . . . . ?
C4_1 C3_1 B2_3 C1_2 31.8(3) . . . . ?
C14_2 C1_2 B2_3 N1_4 -92.1(2) . . . . ?
C2_2 C1_2 B2_3 N1_4 84.2(2) . . . . ?
C14_2 C1_2 B2_3 C3_1 78.1(2) . . . . ?
C2_2 C1_2 B2_3 C3_1 -105.6(2) . . . . ?
C3_1 B2_3 N1_4 N2_4 170.02(15) . . . . ?
C1_2 B2_3 N1_4 N2_4 -19.1(2) . . . . ?
C3_1 B2_3 N1_4 B1_3 -21.4(3) . . . . ?
C1_2 B2_3 N1_4 B1_3 149.43(16) . . . . ?
C1_1 B1_3 N1_4 N2_4 166.17(15) . . . . ?
C4_51 B1_3 N1_4 N2_4 -70.2(2) . . . . ?
C1_1 B1_3 N1_4 B2_3 -1.2(2) . . . . ?
C4_51 B1_3 N1_4 B2_3 122.39(18) . . . . ?
B2_3 N1_4 N2_4 N3_4 -177.94(15) . . . . ?
B1_3 N1_4 N2_4 N3_4 13.4(2) . . . . ?
C6_4 C1_4 C2_4 C3_4 0.8(3) . . . . ?
N3_4 C1_4 C2_4 C3_4 177.31(17) . . . . ?
N1_4 N2_4 N3_4 C1_4 174.67(14) . . . . ?
C2_4 C1_4 N3_4 N2_4 147.57(17) . . . . ?
C6_4 C1_4 N3_4 N2_4 -36.0(2) . . . . ?
C3_4 C4_4 C5_4 C6_4 0.3(3) . . . . ?
C4_4 C5_4 C6_4 C1_4 -0.5(3) . . . . ?
C2_4 C1_4 C6_4 C5_4 -0.1(3) . . . . ?
N3_4 C1_4 C6_4 C5_4 -176.42(17) . . . . ?
C5_4 C4_4 C3_4 C2_4 0.5(3) . . . . ?
C1_4 C2_4 C3_4 C4_4 -1.0(3) . . . . ?
C9_5 C4_5 N4_5 C4_51 -93.9(2) . . . . ?
C5_5 C4_5 N4_5 C4_51 91.0(2) . . . . ?
C9_5 C4_5 N4_5 C5_51 94.3(2) . . . . ?
C5_5 C4_5 N4_5 C5_51 -80.9(2) . . . . ?
C9_5 C4_5 C5_5 C6_5 4.3(3) . . . . ?
N4_5 C4_5 C5_5 C6_5 179.35(18) . . . . ?
C9_5 C4_5 C5_5 C11_5 -174.8(2) . . . . ?
N4_5 C4_5 C5_5 C11_5 0.3(3) . . . . ?
C4_5 C5_5 C6_5 C7_5 -2.1(3) . . . . ?
C11_5 C5_5 C6_5 C7_5 177.0(2) . . . . ?
C5_5 C6_5 C7_5 C8_5 -0.8(3) . . . . ?
C5_5 C6_5 C7_5 C12_5 -179.4(2) . . . . ?
C6_5 C7_5 C8_5 C9_5 1.5(3) . . . . ?
C12_5 C7_5 C8_5 C9_5 -179.81(19) . . . . ?
C7_5 C8_5 C9_5 C4_5 0.6(3) . . . . ?
C7_5 C8_5 C9_5 C10_5 -179.80(19) . . . . ?
C5_5 C4_5 C9_5 C8_5 -3.6(3) . . . . ?
N4_5 C4_5 C9_5 C8_5 -178.57(17) . . . . ?
C5_5 C4_5 C9_5 C10_5 176.83(19) . . . . ?
N4_5 C4_5 C9_5 C10_5 1.8(3) . . . . ?
C4_51 N5_5 C13_5 C14_5 118.7(2) . . . . ?
C6_51 N5_5 C13_5 C14_5 -77.2(2) . . . . ?
C4_51 N5_5 C13_5 C18_5 -69.1(3) . . . . ?
C6_51 N5_5 C13_5 C18_5 95.0(2) . . . . ?
C18_5 C13_5 C14_5 C15_5 4.7(3) . . . . ?
N5_5 C13_5 C14_5 C15_5 176.80(17) . . . . ?
C18_5 C13_5 C14_5 C20_5 -171.59(18) . . . . ?
N5_5 C13_5 C14_5 C20_5 0.5(3) . . . . ?
C13_5 C14_5 C15_5 C16_5 -0.7(3) . . . . ?
C20_5 C14_5 C15_5 C16_5 175.65(19) . . . . ?
C14_5 C15_5 C16_5 C17_5 -2.6(3) . . . . ?
C14_5 C15_5 C16_5 C21_5 178.3(2) . . . . ?
C15_5 C16_5 C17_5 C18_5 1.9(3) . . . . ?
C21_5 C16_5 C17_5 C18_5 -179.0(2) . . . . ?
C16_5 C17_5 C18_5 C13_5 2.0(3) . . . . ?
C16_5 C17_5 C18_5 C19_5 -174.60(19) . . . . ?
C14_5 C13_5 C18_5 C17_5 -5.3(3) . . . . ?
N5_5 C13_5 C18_5 C17_5 -177.40(17) . . . . ?
C14_5 C13_5 C18_5 C19_5 171.14(18) . . . . ?
N5_5 C13_5 C18_5 C19_5 -0.9(3) . . . . ?
C14_6 C1_6 C2_6 C3_6 -168.32(18) . . . . ?
B1_8 C1_6 C2_6 C3_6 16.2(3) . . . . ?
C14_6 C1_6 C2_6 C11_6 8.7(3) . . . . ?
B1_8 C1_6 C2_6 C11_6 -166.87(17) . . . . ?
C11_6 C2_6 C3_6 C4_6 2.6(3) . . . . ?
C1_6 C2_6 C3_6 C4_6 179.57(17) . . . . ?
C11_6 C2_6 C3_6 B2_8 -168.93(17) . . . . ?
C1_6 C2_6 C3_6 B2_8 8.0(3) . . . . ?
C2_6 C3_6 C4_6 C5_6 176.15(17) . . . . ?
B2_8 C3_6 C4_6 C5_6 -12.9(3) . . . . ?
C2_6 C3_6 C4_6 C9_6 -2.6(3) . . . . ?
B2_8 C3_6 C4_6 C9_6 168.41(17) . . . . ?
C3_6 C4_6 C5_6 C6_6 176.42(19) . . . . ?
C9_6 C4_6 C5_6 C6_6 -4.8(3) . . . . ?
C4_6 C5_6 C6_6 C7_6 -0.1(3) . . . . ?
C5_6 C6_6 C7_6 C8_6 3.3(3) . . . . ?
C6_6 C7_6 C8_6 C9_6 -1.4(3) . . . . ?
C7_6 C8_6 C9_6 C10_6 179.7(2) . . . . ?
C7_6 C8_6 C9_6 C4_6 -3.6(3) . . . . ?
C5_6 C4_6 C9_6 C10_6 -176.76(18) . . . . ?
C3_6 C4_6 C9_6 C10_6 2.1(3) . . . . ?
C5_6 C4_6 C9_6 C8_6 6.6(3) . . . . ?
C3_6 C4_6 C9_6 C8_6 -174.63(18) . . . . ?
C8_6 C9_6 C10_6 C11_6 175.07(19) . . . . ?
C4_6 C9_6 C10_6 C11_6 -1.6(3) . . . . ?
C9_6 C10_6 C11_6 C12_6 -173.58(19) . . . . ?
C9_6 C10_6 C11_6 C2_6 1.6(3) . . . . ?
C3_6 C2_6 C11_6 C10_6 -2.2(3) . . . . ?
C1_6 C2_6 C11_6 C10_6 -179.14(18) . . . . ?
C3_6 C2_6 C11_6 C12_6 173.11(18) . . . . ?
C1_6 C2_6 C11_6 C12_6 -3.9(3) . . . . ?
C10_6 C11_6 C12_6 C13_6 172.3(2) . . . . ?
C2_6 C11_6 C12_6 C13_6 -2.9(3) . . . . ?
C11_6 C12_6 C13_6 C14_6 4.7(3) . . . . ?
C2_6 C1_6 C14_6 C13_6 -7.2(3) . . . . ?
B1_8 C1_6 C14_6 C13_6 168.49(19) . . . . ?
C12_6 C13_6 C14_6 C1_6 0.5(3) . . . . ?
C14_7 C1_7 C2_7 C3_7 174.80(16) . . . . ?
B2_8 C1_7 C2_7 C3_7 -3.8(2) . . . . ?
C14_7 C1_7 C2_7 C7_7 -3.2(2) . . . . ?
B2_8 C1_7 C2_7 C7_7 178.22(16) . . . . ?
C1_7 C2_7 C3_7 C4_7 -178.65(17) . . . . ?
C7_7 C2_7 C3_7 C4_7 -0.6(3) . . . . ?
C2_7 C3_7 C4_7 C5_7 -0.8(3) . . . . ?
C3_7 C4_7 C5_7 C6_7 1.1(3) . . . . ?
C4_7 C5_7 C6_7 C7_7 0.0(3) . . . . ?
C5_7 C6_7 C7_7 C8_7 177.79(19) . . . . ?
C5_7 C6_7 C7_7 C2_7 -1.4(3) . . . . ?
C1_7 C2_7 C7_7 C8_7 0.5(3) . . . . ?
C3_7 C2_7 C7_7 C8_7 -177.57(16) . . . . ?
C1_7 C2_7 C7_7 C6_7 179.71(16) . . . . ?
C3_7 C2_7 C7_7 C6_7 1.6(2) . . . . ?
C6_7 C7_7 C8_7 C9_7 -177.22(18) . . . . ?
C2_7 C7_7 C8_7 C9_7 1.9(3) . . . . ?
C7_7 C8_7 C9_7 C10_7 177.46(18) . . . . ?
C7_7 C8_7 C9_7 C14_7 -1.6(3) . . . . ?
C8_7 C9_7 C10_7 C11_7 -178.5(2) . . . . ?
C14_7 C9_7 C10_7 C11_7 0.6(3) . . . . ?
C9_7 C10_7 C11_7 C12_7 0.1(3) . . . . ?
C10_7 C11_7 C12_7 C13_7 -0.8(3) . . . . ?
C11_7 C12_7 C13_7 C14_7 1.0(3) . . . . ?
C2_7 C1_7 C14_7 C13_7 -176.31(17) . . . . ?
B2_8 C1_7 C14_7 C13_7 2.1(3) . . . . ?
C2_7 C1_7 C14_7 C9_7 3.6(3) . . . . ?
B2_8 C1_7 C14_7 C9_7 -178.05(17) . . . . ?
C12_7 C13_7 C14_7 C1_7 179.55(19) . . . . ?
C12_7 C13_7 C14_7 C9_7 -0.3(3) . . . . ?
C8_7 C9_7 C14_7 C1_7 -1.2(3) . . . . ?
C10_7 C9_7 C14_7 C1_7 179.70(17) . . . . ?
C8_7 C9_7 C14_7 C13_7 178.68(17) . . . . ?
C10_7 C9_7 C14_7 C13_7 -0.4(3) . . . . ?
C14_6 C1_6 B1_8 N1_8 163.93(17) . . . . ?
C2_6 C1_6 B1_8 N1_8 -20.6(2) . . . . ?
C14_6 C1_6 B1_8 C4_111 -71.6(2) . . . . ?
C2_6 C1_6 B1_8 C4_111 103.86(19) . . . . ?
C1_6 B1_8 N1_8 N2_8 -163.69(15) . . . . ?
C4_111 B1_8 N1_8 N2_8 73.6(2) . . . . ?
C1_6 B1_8 N1_8 B2_8 0.9(2) . . . . ?
C4_111 B1_8 N1_8 B2_8 -121.82(18) . . . . ?
N2_8 N1_8 B2_8 C3_6 -172.32(15) . . . . ?
B1_8 N1_8 B2_8 C3_6 21.7(3) . . . . ?
N2_8 N1_8 B2_8 C1_7 19.6(2) . . . . ?
B1_8 N1_8 B2_8 C1_7 -146.42(17) . . . . ?
C2_6 C3_6 B2_8 N1_8 -27.1(3) . . . . ?
C4_6 C3_6 B2_8 N1_8 161.76(17) . . . . ?
C2_6 C3_6 B2_8 C1_7 140.51(18) . . . . ?
C4_6 C3_6 B2_8 C1_7 -30.6(3) . . . . ?
C14_7 C1_7 B2_8 N1_8 -84.9(2) . . . . ?
C2_7 C1_7 B2_8 N1_8 93.5(2) . . . . ?
C14_7 C1_7 B2_8 C3_6 107.3(2) . . . . ?
C2_7 C1_7 B2_8 C3_6 -74.3(2) . . . . ?
C6_8 C1_8 C2_8 C3_8 0.1(3) . . . . ?
N3_8 C1_8 C2_8 C3_8 176.95(19) . . . . ?
C6_8 C1_8 N3_8 N2_8 -151.50(19) . . . . ?
C2_8 C1_8 N3_8 N2_8 31.6(2) . . . . ?
C3_8 C4_8 C5_8 C6_8 -0.2(4) . . . . ?
C2_8 C1_8 C6_8 C5_8 -1.1(3) . . . . ?
N3_8 C1_8 C6_8 C5_8 -178.2(2) . . . . ?
C4_8 C5_8 C6_8 C1_8 1.2(4) . . . . ?
C1_8 C2_8 C3_8 C4_8 0.9(3) . . . . ?
C5_8 C4_8 C3_8 C2_8 -0.8(4) . . . . ?
C1_8 N3_8 N2_8 N1_8 -175.68(14) . . . . ?
B2_8 N1_8 N2_8 N3_8 178.16(16) . . . . ?
B1_8 N1_8 N2_8 N3_8 -15.8(2) . . . . ?
C5_11 C4_11 N4_11 C4_111 87.5(2) . . . . ?
C9_11 C4_11 N4_11 C4_111 -97.4(2) . . . . ?
C5_11 C4_11 N4_11 C5_111 -95.5(2) . . . . ?
C9_11 C4_11 N4_11 C5_111 79.5(2) . . . . ?
C9_11 C4_11 C5_11 C6_11 2.5(3) . . . . ?
N4_11 C4_11 C5_11 C6_11 177.28(16) . . . . ?
C9_11 C4_11 C5_11 C11_11 -177.70(18) . . . . ?
N4_11 C4_11 C5_11 C11_11 -2.9(3) . . . . ?
C4_11 C5_11 C6_11 C7_11 -0.7(3) . . . . ?
C11_11 C5_11 C6_11 C7_11 179.44(19) . . . . ?
C5_11 C6_11 C7_11 C8_11 -0.4(3) . . . . ?
C5_11 C6_11 C7_11 C12_11 -179.7(2) . . . . ?
C6_11 C7_11 C8_11 C9_11 -0.2(3) . . . . ?
C12_11 C7_11 C8_11 C9_11 179.07(19) . . . . ?
C7_11 C8_11 C9_11 C4_11 1.9(3) . . . . ?
C7_11 C8_11 C9_11 C10_11 -177.39(18) . . . . ?
C5_11 C4_11 C9_11 C8_11 -3.0(3) . . . . ?
N4_11 C4_11 C9_11 C8_11 -177.93(16) . . . . ?
C5_11 C4_11 C9_11 C10_11 176.23(17) . . . . ?
N4_11 C4_11 C9_11 C10_11 1.3(3) . . . . ?
C4_111 N5_11 C13_12 C14_13 72(2) . . . . ?
C13_13 N5_11 C13_12 C14_13 -173(22) . . . . ?
C6_111 N5_11 C13_12 C14_13 -88(2) . . . . ?
C4_111 N5_11 C13_12 C18_12 -114.2(12) . . . . ?
C13_13 N5_11 C13_12 C18_12 1(19) . . . . ?
C6_111 N5_11 C13_12 C18_12 86.1(14) . . . . ?
C4_111 N5_11 C13_12 C14_12 73.7(15) . . . . ?
C13_13 N5_11 C13_12 C14_12 -171(21) . . . . ?
C6_111 N5_11 C13_12 C14_12 -85.9(13) . . . . ?
C4_111 N5_11 C13_12 C18_13 -114.4(12) . . . . ?
C13_13 N5_11 C13_12 C18_13 1(19) . . . . ?
C6_111 N5_11 C13_12 C18_13 86.0(14) . . . . ?
C14_13 C13_12 C14_12 C21_13 167(5) . . . . ?
C18_12 C13_12 C14_12 C21_13 -176.1(13) . . . . ?
N5_11 C13_12 C14_12 C21_13 -4(2) . . . . ?
C18_13 C13_12 C14_12 C21_13 -174.3(17) . . . . ?
C14_13 C13_12 C14_12 C15_12 -11(4) . . . . ?
C18_12 C13_12 C14_12 C15_12 6.1(18) . . . . ?
N5_11 C13_12 C14_12 C15_12 178.1(10) . . . . ?
C18_13 C13_12 C14_12 C15_12 8(2) . . . . ?
C14_13 C13_12 C14_12 C21_12 173(5) . . . . ?
C18_12 C13_12 C14_12 C21_12 -170.1(11) . . . . ?
N5_11 C13_12 C14_12 C21_12 1.9(18) . . . . ?
C18_13 C13_12 C14_12 C21_12 -168.3(15) . . . . ?
C14_13 C13_12 C14_12 C13_13 -25(35) . . . . ?
C18_12 C13_12 C14_12 C13_13 -8(35) . . . . ?
N5_11 C13_12 C14_12 C13_13 163(37) . . . . ?
C18_13 C13_12 C14_12 C13_13 -7(34) . . . . ?
C14_13 C13_12 C14_12 C15_13 -8(4) . . . . ?
C18_12 C13_12 C14_12 C15_13 9.0(16) . . . . ?
N5_11 C13_12 C14_12 C15_13 -179.1(13) . . . . ?
C18_13 C13_12 C14_12 C15_13 11(2) . . . . ?
C21_13 C14_12 C15_12 C14_13 -166(5) . . . . ?
C13_12 C14_12 C15_12 C14_13 12(5) . . . . ?
C21_12 C14_12 C15_12 C14_13 -172(5) . . . . ?
C13_13 C14_12 C15_12 C14_13 13(4) . . . . ?
C15_13 C14_12 C15_12 C14_13 1(5) . . . . ?
C21_13 C14_12 C15_12 C16_12 179.5(8) . . . . ?
C13_12 C14_12 C15_12 C16_12 -2.3(12) . . . . ?
C21_12 C14_12 C15_12 C16_12 174.0(6) . . . . ?
C13_13 C14_12 C15_12 C16_12 -1.5(15) . . . . ?
C15_13 C14_12 C15_12 C16_12 -13.3(17) . . . . ?
C21_13 C14_12 C15_12 C16_13 -178.5(9) . . . . ?
C13_12 C14_12 C15_12 C16_13 -0.2(12) . . . . ?
C21_12 C14_12 C15_12 C16_13 176.1(6) . . . . ?
C13_13 C14_12 C15_12 C16_13 0.5(14) . . . . ?
C15_13 C14_12 C15_12 C16_13 -11.3(17) . . . . ?
C14_13 C15_12 C16_12 C15_13 53(6) . . . . ?
C14_12 C15_12 C16_12 C15_13 56(6) . . . . ?
C16_13 C15_12 C16_12 C15_13 43(6) . . . . ?
C14_13 C15_12 C16_12 C17_12 -4.8(9) . . . . ?
C14_12 C15_12 C16_12 C17_12 -1.9(8) . . . . ?
C16_13 C15_12 C16_12 C17_12 -15(3) . . . . ?
C14_13 C15_12 C16_12 C20_12 175.4(8) . . . . ?
C14_12 C15_12 C16_12 C20_12 178.2(5) . . . . ?
C16_13 C15_12 C16_12 C20_12 165(3) . . . . ?
C14_13 C15_12 C16_12 C20_13 169.0(10) . . . . ?
C14_12 C15_12 C16_12 C20_13 171.9(8) . . . . ?
C16_13 C15_12 C16_12 C20_13 159(4) . . . . ?
C14_13 C15_12 C16_12 C17_13 -4.9(9) . . . . ?
C14_12 C15_12 C16_12 C17_13 -2.1(8) . . . . ?
C16_13 C15_12 C16_12 C17_13 -15(3) . . . . ?
C15_13 C16_12 C17_12 C16_13 158(3) . . . . ?
C15_12 C16_12 C17_12 C16_13 164(3) . . . . ?
C20_12 C16_12 C17_12 C16_13 -16(3) . . . . ?
C20_13 C16_12 C17_12 C16_13 -12(3) . . . . ?
C17_13 C16_12 C17_12 C16_13 -22(20) . . . . ?
C15_13 C16_12 C17_12 C18_12 -3.9(10) . . . . ?
C15_12 C16_12 C17_12 C18_12 2.4(8) . . . . ?
C20_12 C16_12 C17_12 C18_12 -177.7(5) . . . . ?
C20_13 C16_12 C17_12 C18_12 -174.0(6) . . . . ?
C17_13 C16_12 C17_12 C18_12 176(100) . . . . ?
C15_13 C16_12 C17_12 C18_13 -4.7(12) . . . . ?
C15_12 C16_12 C17_12 C18_13 1.6(10) . . . . ?
C20_12 C16_12 C17_12 C18_13 -178.6(8) . . . . ?
C20_13 C16_12 C17_12 C18_13 -174.9(9) . . . . ?
C17_13 C16_12 C17_12 C18_13 175(100) . . . . ?
C15_12 C16_12 C17_12 C15_13 6.3(8) . . . . ?
C20_12 C16_12 C17_12 C15_13 -173.9(10) . . . . ?
C20_13 C16_12 C17_12 C15_13 -170.1(10) . . . . ?
C17_13 C16_12 C17_12 C15_13 180(100) . . . . ?
C14_13 C13_12 C18_12 C13_13 172(47) . . . . ?
C14_12 C13_12 C18_12 C13_13 169(47) . . . . ?
N5_11 C13_12 C18_12 C13_13 -3(45) . . . . ?
C18_13 C13_12 C18_12 C13_13 -2(45) . . . . ?
C14_13 C13_12 C18_12 C17_13 -2(2) . . . . ?
C14_12 C13_12 C18_12 C17_13 -6(2) . . . . ?
N5_11 C13_12 C18_12 C17_13 -177.7(13) . . . . ?
C18_13 C13_12 C18_12 C17_13 -177(6) . . . . ?
C14_13 C13_12 C18_12 C17_12 -2.1(18) . . . . ?
C14_12 C13_12 C18_12 C17_12 -5.7(18) . . . . ?
N5_11 C13_12 C18_12 C17_12 -177.4(11) . . . . ?
C18_13 C13_12 C18_12 C17_12 -176(6) . . . . ?
C14_13 C13_12 C18_12 C19_12 176.0(12) . . . . ?
C14_12 C13_12 C18_12 C19_12 172.4(11) . . . . ?
N5_11 C13_12 C18_12 C19_12 0.7(19) . . . . ?
C18_13 C13_12 C18_12 C19_12 2(5) . . . . ?
C14_13 C13_12 C18_12 C19_13 173.6(14) . . . . ?
C14_12 C13_12 C18_12 C19_13 170.1(13) . . . . ?
N5_11 C13_12 C18_12 C19_13 -1.6(17) . . . . ?
C18_13 C13_12 C18_12 C19_13 -1(5) . . . . ?
C16_13 C17_12 C18_12 C13_13 -5(2) . . . . ?
C16_12 C17_12 C18_12 C13_13 1.0(18) . . . . ?
C18_13 C17_12 C18_12 C13_13 176(7) . . . . ?
C15_13 C17_12 C18_12 C13_13 -0.7(16) . . . . ?
C16_13 C17_12 C18_12 C17_13 174(3) . . . . ?
C16_12 C17_12 C18_12 C17_13 -180(2) . . . . ?
C18_13 C17_12 C18_12 C17_13 -5(6) . . . . ?
C15_13 C17_12 C18_12 C17_13 179(2) . . . . ?
C16_13 C17_12 C18_12 C13_12 -5.0(16) . . . . ?
C16_12 C17_12 C18_12 C13_12 1.3(12) . . . . ?
C18_13 C17_12 C18_12 C13_12 176(6) . . . . ?
C15_13 C17_12 C18_12 C13_12 -0.5(11) . . . . ?
C16_13 C17_12 C18_12 C19_12 176.9(10) . . . . ?
C16_12 C17_12 C18_12 C19_12 -176.9(6) . . . . ?
C18_13 C17_12 C18_12 C19_12 -2(6) . . . . ?
C15_13 C17_12 C18_12 C19_12 -178.6(6) . . . . ?
C16_13 C17_12 C18_12 C19_13 179.8(12) . . . . ?
C16_12 C17_12 C18_12 C19_13 -174.0(8) . . . . ?
C18_13 C17_12 C18_12 C19_13 1(5) . . . . ?
C15_13 C17_12 C18_12 C19_13 -175.7(9) . . . . ?
C13_13 C18_12 C19_12 C18_13 -15(44) . . . . ?
C17_13 C18_12 C19_12 C18_13 164(45) . . . . ?
C13_12 C18_12 C19_12 C18_13 -15(45) . . . . ?
C17_12 C18_12 C19_12 C18_13 163(45) . . . . ?
C19_13 C18_12 C19_12 C18_13 3(44) . . . . ?
C15_13 C16_12 C20_12 C20_13 -164.1(13) . . . . ?
C17_12 C16_12 C20_12 C20_13 9.1(10) . . . . ?
C15_12 C16_12 C20_12 C20_13 -171.1(10) . . . . ?
C17_13 C16_12 C20_12 C20_13 9.2(10) . . . . ?
C15_13 C16_12 C20_12 C16_13 -165(2) . . . . ?
C17_12 C16_12 C20_12 C16_13 8.1(13) . . . . ?
C15_12 C16_12 C20_12 C16_13 -172.0(18) . . . . ?
C20_13 C16_12 C20_12 C16_13 -1.0(15) . . . . ?
C17_13 C16_12 C20_12 C16_13 8.3(12) . . . . ?
C21_13 C14_12 C21_12 C14_13 14(22) . . . . ?
C15_12 C14_12 C21_12 C14_13 43(23) . . . . ?
C13_12 C14_12 C21_12 C14_13 -140(24) . . . . ?
C13_13 C14_12 C21_12 C14_13 -142(24) . . . . ?
C15_13 C14_12 C21_12 C14_13 41(23) . . . . ?
C17_13 C18_12 C13_13 C18_13 -176(7) . . . . ?
C13_12 C18_12 C13_13 C18_13 178(100) . . . . ?
C17_12 C18_12 C13_13 C18_13 -176(6) . . . . ?
C19_12 C18_12 C13_13 C18_13 2(5) . . . . ?
C19_13 C18_12 C13_13 C18_13 -1(5) . . . . ?
C17_13 C18_12 C13_13 C14_13 -2(3) . . . . ?
C13_12 C18_12 C13_13 C14_13 -7(44) . . . . ?
C17_12 C18_12 C13_13 C14_13 -2(3) . . . . ?
C19_12 C18_12 C13_13 C14_13 176.3(10) . . . . ?
C19_13 C18_12 C13_13 C14_13 174.1(11) . . . . ?
C17_13 C18_12 C13_13 N5_11 -177.7(12) . . . . ?
C13_12 C18_12 C13_13 N5_11 177(100) . . . . ?
C17_12 C18_12 C13_13 N5_11 -177.5(15) . . . . ?
C19_12 C18_12 C13_13 N5_11 0(3) . . . . ?
C19_13 C18_12 C13_13 N5_11 -2(3) . . . . ?
C17_13 C18_12 C13_13 C14_12 -5(4) . . . . ?
C13_12 C18_12 C13_13 C14_12 -10(44) . . . . ?
C17_12 C18_12 C13_13 C14_12 -5(3) . . . . ?
C19_12 C18_12 C13_13 C14_12 173.2(13) . . . . ?
C19_13 C18_12 C13_13 C14_12 170.9(15) . . . . ?
C4_111 N5_11 C13_13 C18_12 -110(2) . . . . ?
C13_12 N5_11 C13_13 C18_12 -178(100) . . . . ?
C6_111 N5_11 C13_13 C18_12 84(3) . . . . ?
C4_111 N5_11 C13_13 C18_13 -110.7(15) . . . . ?
C13_12 N5_11 C13_13 C18_13 -179(100) . . . . ?
C6_111 N5_11 C13_13 C18_13 83.3(17) . . . . ?
C4_111 N5_11 C13_13 C14_13 74(2) . . . . ?
C13_12 N5_11 C13_13 C14_13 6(18) . . . . ?
C6_111 N5_11 C13_13 C14_13 -92.1(17) . . . . ?
C4_111 N5_11 C13_13 C14_12 76.1(18) . . . . ?
C13_12 N5_11 C13_13 C14_12 8(19) . . . . ?
C6_111 N5_11 C13_13 C14_12 -89.9(15) . . . . ?
C21_13 C14_12 C13_13 C18_12 -176.3(14) . . . . ?
C15_12 C14_12 C13_13 C18_12 5(3) . . . . ?
C13_12 C14_12 C13_13 C18_12 171(38) . . . . ?
C21_12 C14_12 C13_13 C18_12 -170.3(15) . . . . ?
C15_13 C14_12 C13_13 C18_12 8(3) . . . . ?
C21_13 C14_12 C13_13 C18_13 -174.5(15) . . . . ?
C15_12 C14_12 C13_13 C18_13 7(3) . . . . ?
C13_12 C14_12 C13_13 C18_13 173(38) . . . . ?
C21_12 C14_12 C13_13 C18_13 -168.4(15) . . . . ?
C15_13 C14_12 C13_13 C18_13 10(3) . . . . ?
C21_13 C14_12 C13_13 C14_13 167(5) . . . . ?
C15_12 C14_12 C13_13 C14_13 -12(4) . . . . ?
C13_12 C14_12 C13_13 C14_13 154(36) . . . . ?
C21_12 C14_12 C13_13 C14_13 173(5) . . . . ?
C15_13 C14_12 C13_13 C14_13 -9(4) . . . . ?
C21_13 C14_12 C13_13 N5_11 -2(3) . . . . ?
C15_12 C14_12 C13_13 N5_11 178.9(10) . . . . ?
C13_12 C14_12 C13_13 N5_11 -15(34) . . . . ?
C21_12 C14_12 C13_13 N5_11 4(2) . . . . ?
C15_13 C14_12 C13_13 N5_11 -178.1(12) . . . . ?
C14_12 C15_12 C14_13 C13_12 -162(7) . . . . ?
C16_12 C15_12 C14_13 C13_12 5(3) . . . . ?
C16_13 C15_12 C14_13 C13_12 6(3) . . . . ?
C14_12 C15_12 C14_13 C13_13 -162(6) . . . . ?
C16_12 C15_12 C14_13 C13_13 5.0(19) . . . . ?
C16_13 C15_12 C14_13 C13_13 6.5(19) . . . . ?
C14_12 C15_12 C14_13 C15_13 -179(4) . . . . ?
C16_12 C15_12 C14_13 C15_13 -12.1(16) . . . . ?
C16_13 C15_12 C14_13 C15_13 -10.6(16) . . . . ?
C14_12 C15_12 C14_13 C21_13 11(4) . . . . ?
C16_12 C15_12 C14_13 C21_13 177.8(5) . . . . ?
C16_13 C15_12 C14_13 C21_13 179.3(5) . . . . ?
C14_12 C15_12 C14_13 C21_12 6(4) . . . . ?
C16_12 C15_12 C14_13 C21_12 173.5(6) . . . . ?
C16_13 C15_12 C14_13 C21_12 175.0(6) . . . . ?
C18_12 C13_12 C14_13 C15_12 -1(3) . . . . ?
C14_12 C13_12 C14_13 C15_12 164(6) . . . . ?
N5_11 C13_12 C14_13 C15_12 173.6(12) . . . . ?
C18_13 C13_12 C14_13 C15_12 0(3) . . . . ?
C18_12 C13_12 C14_13 C13_13 -5(28) . . . . ?
C14_12 C13_12 C14_13 C13_13 160(28) . . . . ?
N5_11 C13_12 C14_13 C13_13 170(31) . . . . ?
C18_13 C13_12 C14_13 C13_13 -4(27) . . . . ?
C18_12 C13_12 C14_13 C15_13 5(2) . . . . ?
C14_12 C13_12 C14_13 C15_13 170(5) . . . . ?
N5_11 C13_12 C14_13 C15_13 179.6(12) . . . . ?
C18_13 C13_12 C14_13 C15_13 6(3) . . . . ?
C18_12 C13_12 C14_13 C21_13 -173.5(9) . . . . ?
C14_12 C13_12 C14_13 C21_13 -9(4) . . . . ?
N5_11 C13_12 C14_13 C21_13 1(3) . . . . ?
C18_13 C13_12 C14_13 C21_13 -172.6(12) . . . . ?
C18_12 C13_12 C14_13 C21_12 -169.9(9) . . . . ?
C14_12 C13_12 C14_13 C21_12 -5(4) . . . . ?
N5_11 C13_12 C14_13 C21_12 5(3) . . . . ?
C18_13 C13_12 C14_13 C21_12 -168.9(13) . . . . ?
C18_12 C13_13 C14_13 C15_12 -2(3) . . . . ?
C18_13 C13_13 C14_13 C15_12 -1(3) . . . . ?
N5_11 C13_13 C14_13 C15_12 174.5(15) . . . . ?
C14_12 C13_13 C14_13 C15_12 163(5) . . . . ?
C18_12 C13_13 C14_13 C13_12 175(31) . . . . ?
C18_13 C13_13 C14_13 C13_12 176(31) . . . . ?
N5_11 C13_13 C14_13 C13_12 -9(27) . . . . ?
C14_12 C13_13 C14_13 C13_12 -20(29) . . . . ?
C18_12 C13_13 C14_13 C15_13 4(2) . . . . ?
C18_13 C13_13 C14_13 C15_13 5(2) . . . . ?
N5_11 C13_13 C14_13 C15_13 -179.6(14) . . . . ?
C14_12 C13_13 C14_13 C15_13 169(5) . . . . ?
C18_12 C13_13 C14_13 C21_13 -173.6(15) . . . . ?
C18_13 C13_13 C14_13 C21_13 -172.6(14) . . . . ?
N5_11 C13_13 C14_13 C21_13 3(2) . . . . ?
C14_12 C13_13 C14_13 C21_13 -9(4) . . . . ?
C18_12 C13_13 C14_13 C21_12 -170.0(16) . . . . ?
C18_13 C13_13 C14_13 C21_12 -169.0(15) . . . . ?
N5_11 C13_13 C14_13 C21_12 6(2) . . . . ?
C14_12 C13_13 C14_13 C21_12 -5(4) . . . . ?
C14_12 C21_12 C14_13 C15_12 -135(24) . . . . ?
C14_12 C21_12 C14_13 C13_12 38(23) . . . . ?
C14_12 C21_12 C14_13 C13_13 37(23) . . . . ?
C14_12 C21_12 C14_13 C15_13 -137(24) . . . . ?
C14_12 C21_12 C14_13 C21_13 -165(23) . . . . ?
C17_12 C16_12 C15_13 C16_13 -18(3) . . . . ?
C15_12 C16_12 C15_13 C16_13 -143(5) . . . . ?
C20_12 C16_12 C15_13 C16_13 155(4) . . . . ?
C20_13 C16_12 C15_13 C16_13 143(4) . . . . ?
C17_13 C16_12 C15_13 C16_13 -18(3) . . . . ?
C17_12 C16_12 C15_13 C14_13 8.0(13) . . . . ?
C15_12 C16_12 C15_13 C14_13 -117(6) . . . . ?
C20_12 C16_12 C15_13 C14_13 -178.5(7) . . . . ?
C20_13 C16_12 C15_13 C14_13 169.5(10) . . . . ?
C17_13 C16_12 C15_13 C14_13 8.0(14) . . . . ?
C17_12 C16_12 C15_13 C14_12 12.5(17) . . . . ?
C15_12 C16_12 C15_13 C14_12 -112(7) . . . . ?
C20_12 C16_12 C15_13 C14_12 -174.0(9) . . . . ?
C20_13 C16_12 C15_13 C14_12 174.0(8) . . . . ?
C17_13 C16_12 C15_13 C14_12 12.5(18) . . . . ?
C15_12 C16_12 C15_13 C17_12 -125(6) . . . . ?
C20_12 C16_12 C15_13 C17_12 173.5(11) . . . . ?
C20_13 C16_12 C15_13 C17_12 161.5(18) . . . . ?
C17_13 C16_12 C15_13 C17_12 0.0(5) . . . . ?
C15_12 C14_13 C15_13 C16_12 158(3) . . . . ?
C13_12 C14_13 C15_13 C16_12 -9.6(19) . . . . ?
C13_13 C14_13 C15_13 C16_12 -8.9(18) . . . . ?
C21_13 C14_13 C15_13 C16_12 168.8(11) . . . . ?
C21_12 C14_13 C15_13 C16_12 164.2(12) . . . . ?
C15_12 C14_13 C15_13 C16_13 164(2) . . . . ?
C13_12 C14_13 C15_13 C16_13 -3.2(17) . . . . ?
C13_13 C14_13 C15_13 C16_13 -2.5(15) . . . . ?
C21_13 C14_13 C15_13 C16_13 175.2(7) . . . . ?
C21_12 C14_13 C15_13 C16_13 170.6(8) . . . . ?
C15_12 C14_13 C15_13 C14_12 1(5) . . . . ?
C13_12 C14_13 C15_13 C14_12 -166(7) . . . . ?
C13_13 C14_13 C15_13 C14_12 -165(6) . . . . ?
C21_13 C14_13 C15_13 C14_12 12(5) . . . . ?
C21_12 C14_13 C15_13 C14_12 8(5) . . . . ?
C15_12 C14_13 C15_13 C17_12 163(2) . . . . ?
C13_12 C14_13 C15_13 C17_12 -4.5(14) . . . . ?
C13_13 C14_13 C15_13 C17_12 -3.8(13) . . . . ?
C21_13 C14_13 C15_13 C17_12 173.9(8) . . . . ?
C21_12 C14_13 C15_13 C17_12 169.3(9) . . . . ?
C21_13 C14_12 C15_13 C16_12 169.1(11) . . . . ?
C15_12 C14_12 C15_13 C16_12 154(3) . . . . ?
C13_12 C14_12 C15_13 C16_12 -15.5(17) . . . . ?
C21_12 C14_12 C15_13 C16_12 163.4(10) . . . . ?
C13_13 C14_12 C15_13 C16_12 -15(2) . . . . ?
C21_13 C14_12 C15_13 C16_13 177.1(9) . . . . ?
C15_12 C14_12 C15_13 C16_13 163(3) . . . . ?
C13_12 C14_12 C15_13 C16_13 -7.5(12) . . . . ?
C21_12 C14_12 C15_13 C16_13 171.4(7) . . . . ?
C13_13 C14_12 C15_13 C16_13 -6.6(15) . . . . ?
C21_13 C14_12 C15_13 C14_13 -164(7) . . . . ?
C15_12 C14_12 C15_13 C14_13 -179(100) . . . . ?
C13_12 C14_12 C15_13 C14_13 11(6) . . . . ?
C21_12 C14_12 C15_13 C14_13 -170(7) . . . . ?
C13_13 C14_12 C15_13 C14_13 12(5) . . . . ?
C21_13 C14_12 C15_13 C17_12 177.1(9) . . . . ?
C15_12 C14_12 C15_13 C17_12 162(2) . . . . ?
C13_12 C14_12 C15_13 C17_12 -7.5(9) . . . . ?
C21_12 C14_12 C15_13 C17_12 171.4(7) . . . . ?
C13_13 C14_12 C15_13 C17_12 -6.6(13) . . . . ?
C16_12 C17_12 C16_13 C15_13 -15(2) . . . . ?
C18_12 C17_12 C16_13 C15_13 7.0(13) . . . . ?
C18_13 C17_12 C16_13 C15_13 7.3(19) . . . . ?
C16_12 C17_12 C16_13 C17_13 173(6) . . . . ?
C18_12 C17_12 C16_13 C17_13 -164(8) . . . . ?
C18_13 C17_12 C16_13 C17_13 -164(8) . . . . ?
C15_13 C17_12 C16_13 C17_13 -171(7) . . . . ?
C16_12 C17_12 C16_13 C20_13 163(3) . . . . ?
C18_12 C17_12 C16_13 C20_13 -174.4(7) . . . . ?
C18_13 C17_12 C16_13 C20_13 -174.2(11) . . . . ?
C15_13 C17_12 C16_13 C20_13 178.5(13) . . . . ?
C16_12 C17_12 C16_13 C20_12 153(4) . . . . ?
C18_12 C17_12 C16_13 C20_12 174.9(11) . . . . ?
C18_13 C17_12 C16_13 C20_12 175.1(10) . . . . ?
C15_13 C17_12 C16_13 C20_12 168(2) . . . . ?
C16_12 C17_12 C16_13 C15_12 -12(2) . . . . ?
C18_12 C17_12 C16_13 C15_12 10.6(13) . . . . ?
C18_13 C17_12 C16_13 C15_12 10.9(19) . . . . ?
C15_13 C17_12 C16_13 C15_12 3.6(5) . . . . ?
C16_12 C15_13 C16_13 C17_12 155(4) . . . . ?
C14_13 C15_13 C16_13 C17_12 -2.8(11) . . . . ?
C14_12 C15_13 C16_13 C17_12 0.0(12) . . . . ?
C16_12 C15_13 C16_13 C17_13 156(3) . . . . ?
C14_13 C15_13 C16_13 C17_13 -1.9(10) . . . . ?
C14_12 C15_13 C16_13 C17_13 0.9(11) . . . . ?
C17_12 C15_13 C16_13 C17_13 1.0(7) . . . . ?
C16_12 C15_13 C16_13 C20_13 -24(3) . . . . ?
C14_13 C15_13 C16_13 C20_13 178.5(7) . . . . ?
C14_12 C15_13 C16_13 C20_13 -178.7(7) . . . . ?
C17_12 C15_13 C16_13 C20_13 -178.6(12) . . . . ?
C16_12 C15_13 C16_13 C20_12 -19(3) . . . . ?
C14_13 C15_13 C16_13 C20_12 -176.8(7) . . . . ?
C14_12 C15_13 C16_13 C20_12 -174.0(8) . . . . ?
C17_12 C15_13 C16_13 C20_12 -174.0(11) . . . . ?
C16_12 C15_13 C16_13 C15_12 69(8) . . . . ?
C14_13 C15_13 C16_13 C15_12 -89(8) . . . . ?
C14_12 C15_13 C16_13 C15_12 -86(8) . . . . ?
C17_12 C15_13 C16_13 C15_12 -86(8) . . . . ?
C20_13 C20_12 C16_13 C17_12 21(2) . . . . ?
C16_12 C20_12 C16_13 C17_12 -160(3) . . . . ?
C20_13 C20_12 C16_13 C15_13 -170.4(9) . . . . ?
C16_12 C20_12 C16_13 C15_13 8.6(13) . . . . ?
C20_13 C20_12 C16_13 C17_13 17.4(15) . . . . ?
C16_12 C20_12 C16_13 C17_13 -164(2) . . . . ?
C16_12 C20_12 C16_13 C20_13 179.0(16) . . . . ?
C20_13 C20_12 C16_13 C15_12 -173.7(9) . . . . ?
C16_12 C20_12 C16_13 C15_12 5.2(12) . . . . ?
C14_13 C15_12 C16_13 C17_12 -10.1(12) . . . . ?
C14_12 C15_12 C16_13 C17_12 -7.7(10) . . . . ?
C16_12 C15_12 C16_13 C17_12 160(4) . . . . ?
C14_13 C15_12 C16_13 C15_13 85(7) . . . . ?
C14_12 C15_12 C16_13 C15_13 87(7) . . . . ?
C16_12 C15_12 C16_13 C15_13 -105(8) . . . . ?
C14_13 C15_12 C16_13 C17_13 -9.5(10) . . . . ?
C14_12 C15_12 C16_13 C17_13 -7.2(8) . . . . ?
C16_12 C15_12 C16_13 C17_13 161(3) . . . . ?
C14_13 C15_12 C16_13 C20_13 174.7(7) . . . . ?
C14_12 C15_12 C16_13 C20_13 177.0(6) . . . . ?
C16_12 C15_12 C16_13 C20_13 -15(3) . . . . ?
C14_13 C15_12 C16_13 C20_12 177.7(7) . . . . ?
C14_12 C15_12 C16_13 C20_12 -180.0(5) . . . . ?
C16_12 C15_12 C16_13 C20_12 -12(3) . . . . ?
C13_13 C18_12 C17_13 C18_13 177(7) . . . . ?
C13_12 C18_12 C17_13 C18_13 177(6) . . . . ?
C17_12 C18_12 C17_13 C18_13 176(5) . . . . ?
C19_12 C18_12 C17_13 C18_13 -2(5) . . . . ?
C19_13 C18_12 C17_13 C18_13 1(5) . . . . ?
C13_13 C18_12 C17_13 C16_13 -2(3) . . . . ?
C13_12 C18_12 C17_13 C16_13 -2.1(17) . . . . ?
C17_12 C18_12 C17_13 C16_13 -3.2(16) . . . . ?
C19_12 C18_12 C17_13 C16_13 179.2(5) . . . . ?
C19_13 C18_12 C17_13 C16_13 -178.4(6) . . . . ?
C13_13 C18_12 C17_13 C16_12 1(3) . . . . ?
C13_12 C18_12 C17_13 C16_12 1.3(16) . . . . ?
C17_12 C18_12 C17_13 C16_12 0.3(16) . . . . ?
C19_12 C18_12 C17_13 C16_12 -177.3(5) . . . . ?
C19_13 C18_12 C17_13 C16_12 -174.9(6) . . . . ?
C17_12 C16_13 C17_13 C18_12 13(6) . . . . ?
C15_13 C16_13 C17_13 C18_12 4.1(10) . . . . ?
C20_13 C16_13 C17_13 C18_12 -176.3(8) . . . . ?
C20_12 C16_13 C17_13 C18_12 175.3(11) . . . . ?
C15_12 C16_13 C17_13 C18_12 7.9(10) . . . . ?
C17_12 C16_13 C17_13 C18_13 13(7) . . . . ?
C15_13 C16_13 C17_13 C18_13 3.9(10) . . . . ?
C20_13 C16_13 C17_13 C18_13 -176.5(7) . . . . ?
C20_12 C16_13 C17_13 C18_13 175.1(9) . . . . ?
C15_12 C16_13 C17_13 C18_13 7.7(10) . . . . ?
C17_12 C16_13 C17_13 C16_12 -7(7) . . . . ?
C15_13 C16_13 C17_13 C16_12 -16(2) . . . . ?
C20_13 C16_13 C17_13 C16_12 163(3) . . . . ?
C20_12 C16_13 C17_13 C16_12 155(4) . . . . ?
C15_12 C16_13 C17_13 C16_12 -13(2) . . . . ?
C15_13 C16_12 C17_13 C18_12 -3.7(12) . . . . ?
C17_12 C16_12 C17_13 C18_12 -4(20) . . . . ?
C15_12 C16_12 C17_13 C18_12 2.7(10) . . . . ?
C20_12 C16_12 C17_13 C18_12 -177.6(6) . . . . ?
C20_13 C16_12 C17_13 C18_12 -173.9(7) . . . . ?
C15_13 C16_12 C17_13 C18_13 -4.5(11) . . . . ?
C17_12 C16_12 C17_13 C18_13 -5(20) . . . . ?
C15_12 C16_12 C17_13 C18_13 1.8(9) . . . . ?
C20_12 C16_12 C17_13 C18_13 -178.5(6) . . . . ?
C20_13 C16_12 C17_13 C18_13 -174.7(6) . . . . ?
C15_13 C16_12 C17_13 C16_13 157(3) . . . . ?
C17_12 C16_12 C17_13 C16_13 157(20) . . . . ?
C15_12 C16_12 C17_13 C16_13 163(3) . . . . ?
C20_12 C16_12 C17_13 C16_13 -17(2) . . . . ?
C20_13 C16_12 C17_13 C16_13 -13(2) . . . . ?
C18_12 C19_12 C18_13 C17_13 -16(44) . . . . ?
C18_12 C19_12 C18_13 C13_13 165(46) . . . . ?
C18_12 C19_12 C18_13 C19_13 -177(100) . . . . ?
C18_12 C19_12 C18_13 C13_12 165(46) . . . . ?
C18_12 C19_12 C18_13 C17_12 -16(44) . . . . ?
C18_12 C17_13 C18_13 C19_12 178(6) . . . . ?
C16_13 C17_13 C18_13 C19_12 178.9(9) . . . . ?
C16_12 C17_13 C18_13 C19_12 -177.5(10) . . . . ?
C18_12 C17_13 C18_13 C13_13 -2(5) . . . . ?
C16_13 C17_13 C18_13 C13_13 -1.4(15) . . . . ?
C16_12 C17_13 C18_13 C13_13 2.3(14) . . . . ?
C18_12 C17_13 C18_13 C19_13 -179(100) . . . . ?
C16_13 C17_13 C18_13 C19_13 -178.1(7) . . . . ?
C16_12 C17_13 C18_13 C19_13 -174.5(7) . . . . ?
C18_12 C17_13 C18_13 C13_12 -2(4) . . . . ?
C16_13 C17_13 C18_13 C13_12 -1.2(15) . . . . ?
C16_12 C17_13 C18_13 C13_12 2.4(14) . . . . ?
C18_12 C17_13 C18_13 C17_12 -4(5) . . . . ?
C16_13 C17_13 C18_13 C17_12 -3.3(17) . . . . ?
C16_12 C17_13 C18_13 C17_12 0.4(17) . . . . ?
C18_12 C13_13 C18_13 C19_12 -178(6) . . . . ?
C14_13 C13_13 C18_13 C19_12 176.5(16) . . . . ?
N5_11 C13_13 C18_13 C19_12 1(3) . . . . ?
C14_12 C13_13 C18_13 C19_12 173(2) . . . . ?
C18_12 C13_13 C18_13 C17_13 2(5) . . . . ?
C14_13 C13_13 C18_13 C17_13 -3(2) . . . . ?
N5_11 C13_13 C18_13 C17_13 -178.6(14) . . . . ?
C14_12 C13_13 C18_13 C17_13 -7(3) . . . . ?
C18_12 C13_13 C18_13 C19_13 179(100) . . . . ?
C14_13 C13_13 C18_13 C19_13 173.4(14) . . . . ?
N5_11 C13_13 C18_13 C19_13 -2(2) . . . . ?
C14_12 C13_13 C18_13 C19_13 169.6(18) . . . . ?
C18_12 C13_13 C18_13 C13_12 -3(67) . . . . ?
C14_13 C13_13 C18_13 C13_12 -9(67) . . . . ?
N5_11 C13_13 C18_13 C13_12 176(100) . . . . ?
C14_12 C13_13 C18_13 C13_12 -13(66) . . . . ?
C18_12 C13_13 C18_13 C17_12 3(5) . . . . ?
C14_13 C13_13 C18_13 C17_12 -3(2) . . . . ?
N5_11 C13_13 C18_13 C17_12 -178.1(16) . . . . ?
C14_12 C13_13 C18_13 C17_12 -7(2) . . . . ?
C14_13 C13_12 C18_13 C19_12 176.2(13) . . . . ?
C18_12 C13_12 C18_13 C19_12 -178(7) . . . . ?
C14_12 C13_12 C18_13 C19_12 172.0(12) . . . . ?
N5_11 C13_12 C18_13 C19_12 1(3) . . . . ?
C14_13 C13_12 C18_13 C17_13 -4(2) . . . . ?
C18_12 C13_12 C18_13 C17_13 2(5) . . . . ?
C14_12 C13_12 C18_13 C17_13 -8(2) . . . . ?
N5_11 C13_12 C18_13 C17_13 -178.5(9) . . . . ?
C14_13 C13_12 C18_13 C13_13 171(70) . . . . ?
C18_12 C13_12 C18_13 C13_13 177(100) . . . . ?
C14_12 C13_12 C18_13 C13_13 167(70) . . . . ?
N5_11 C13_12 C18_13 C13_13 -4(67) . . . . ?
C14_13 C13_12 C18_13 C19_13 173.0(12) . . . . ?
C18_12 C13_12 C18_13 C19_13 179(100) . . . . ?
C14_12 C13_12 C18_13 C19_13 168.9(12) . . . . ?
N5_11 C13_12 C18_13 C19_13 -2(2) . . . . ?
C14_13 C13_12 C18_13 C17_12 -3(2) . . . . ?
C18_12 C13_12 C18_13 C17_12 3(5) . . . . ?
C14_12 C13_12 C18_13 C17_12 -7(2) . . . . ?
N5_11 C13_12 C18_13 C17_12 -178.0(10) . . . . ?
C16_13 C17_12 C18_13 C19_12 176.1(11) . . . . ?
C16_12 C17_12 C18_13 C19_12 -177.0(9) . . . . ?
C18_12 C17_12 C18_13 C19_12 177(7) . . . . ?
C15_13 C17_12 C18_13 C19_12 -179.1(11) . . . . ?
C16_13 C17_12 C18_13 C17_13 174(3) . . . . ?
C16_12 C17_12 C18_13 C17_13 -179(3) . . . . ?
C18_12 C17_12 C18_13 C17_13 175(6) . . . . ?
C15_13 C17_12 C18_13 C17_13 178(2) . . . . ?
C16_13 C17_12 C18_13 C13_13 -4.6(19) . . . . ?
C16_12 C17_12 C18_13 C13_13 2.3(14) . . . . ?
C18_12 C17_12 C18_13 C13_13 -3(6) . . . . ?
C15_13 C17_12 C18_13 C13_13 0.1(11) . . . . ?
C16_13 C17_12 C18_13 C19_13 179.9(11) . . . . ?
C16_12 C17_12 C18_13 C19_13 -173.2(8) . . . . ?
C18_12 C17_12 C18_13 C19_13 -179(100) . . . . ?
C15_13 C17_12 C18_13 C19_13 -175.3(9) . . . . ?
C16_13 C17_12 C18_13 C13_12 -4(2) . . . . ?
C16_12 C17_12 C18_13 C13_12 2.5(16) . . . . ?
C18_12 C17_12 C18_13 C13_12 -3(5) . . . . ?
C15_13 C17_12 C18_13 C13_12 0.3(13) . . . . ?
C19_12 C18_13 C19_13 C18_12 167(100) . . . . ?
C17_13 C18_13 C19_13 C18_12 147(100) . . . . ?
C13_13 C18_13 C19_13 C18_12 -29(100) . . . . ?
C13_12 C18_13 C19_13 C18_12 -29(100) . . . . ?
C17_12 C18_13 C19_13 C18_12 145(100) . . . . ?
C13_13 C18_12 C19_13 C18_13 150(100) . . . . ?
C17_13 C18_12 C19_13 C18_13 -33(100) . . . . ?
C13_12 C18_12 C19_13 C18_13 150(100) . . . . ?
C17_12 C18_12 C19_13 C18_13 -34(100) . . . . ?
C19_12 C18_12 C19_13 C18_13 -13(100) . . . . ?
C16_12 C20_12 C20_13 C16_13 -0.3(5) . . . . ?
C16_13 C20_12 C20_13 C16_12 0.3(5) . . . . ?
C17_12 C16_13 C20_13 C20_12 -167.3(13) . . . . ?
C15_13 C16_13 C20_13 C20_12 11.1(11) . . . . ?
C17_13 C16_13 C20_13 C20_12 -168.4(10) . . . . ?
C15_12 C16_13 C20_13 C20_12 7.2(10) . . . . ?
C17_12 C16_13 C20_13 C16_12 -168(2) . . . . ?
C15_13 C16_13 C20_13 C16_12 10.2(13) . . . . ?
C17_13 C16_13 C20_13 C16_12 -169(2) . . . . ?
C20_12 C16_13 C20_13 C16_12 -1.0(15) . . . . ?
C15_12 C16_13 C20_13 C16_12 6.3(11) . . . . ?
C15_13 C16_12 C20_13 C20_12 24.8(19) . . . . ?
C17_12 C16_12 C20_13 C20_12 -172.1(9) . . . . ?
C15_12 C16_12 C20_13 C20_12 13.4(14) . . . . ?
C17_13 C16_12 C20_13 C20_12 -171.9(8) . . . . ?
C15_13 C16_12 C20_13 C16_13 -156(3) . . . . ?
C17_12 C16_12 C20_13 C16_13 6.9(14) . . . . ?
C15_12 C16_12 C20_13 C16_13 -168(2) . . . . ?
C20_12 C16_12 C20_13 C16_13 179.0(17) . . . . ?
C17_13 C16_12 C20_13 C16_13 7.1(13) . . . . ?
C15_12 C14_12 C21_13 C14_13 34(12) . . . . ?
C13_12 C14_12 C21_13 C14_13 -144(13) . . . . ?
C21_12 C14_12 C21_13 C14_13 -173(11) . . . . ?
C13_13 C14_12 C21_13 C14_13 -145(14) . . . . ?
C15_13 C14_12 C21_13 C14_13 30(12) . . . . ?
C15_12 C14_13 C21_13 C14_12 -143(13) . . . . ?
C13_12 C14_13 C21_13 C14_12 32(12) . . . . ?
C13_13 C14_13 C21_13 C14_12 31(12) . . . . ?
C15_13 C14_13 C21_13 C14_12 -147(13) . . . . ?
C21_12 C14_13 C21_13 C14_12 7(12) . . . . ?
C5_91 C1_9 C2_9 C4_91 -80.7(19) . . . . ?
C6_9 C1_9 C2_9 C4_91 25.6(5) . . . . ?
C1_91 C1_9 C2_9 C4_91 57.4(6) . . . . ?
C5_91 C1_9 C2_9 C3_9 -106.3(19) . . . . ?
C6_9 C1_9 C2_9 C3_9 0.0 . . . . ?
C1_91 C1_9 C2_9 C3_9 31.8(3) . . . . ?
C5_91 C1_9 C2_9 C6_91 -173(3) . . . . ?
C6_9 C1_9 C2_9 C6_91 -66.7(8) . . . . ?
C1_91 C1_9 C2_9 C6_91 -34.9(7) . . . . ?
C1_9 C2_9 C3_9 C4_91 102.7(9) . . . . ?
C6_91 C2_9 C3_9 C4_91 121.4(10) . . . . ?
C4_91 C2_9 C3_9 C3_91 -103.4(13) . . . . ?
C1_9 C2_9 C3_9 C3_91 -0.7(7) . . . . ?
C6_91 C2_9 C3_9 C3_91 18.0(9) . . . . ?
C4_91 C2_9 C3_9 C4_9 -102.7(9) . . . . ?
C1_9 C2_9 C3_9 C4_9 0.0 . . . . ?
C6_91 C2_9 C3_9 C4_9 18.7(4) . . . . ?
C4_91 C2_9 C3_9 C5_91 -50.4(17) . . . . ?
C1_9 C2_9 C3_9 C5_91 52.3(15) . . . . ?
C6_91 C2_9 C3_9 C5_91 70.9(14) . . . . ?
C4_91 C3_9 C4_9 C2_91 -120.0(11) . . . . ?
C3_91 C3_9 C4_9 C2_91 130(2) . . . . ?
C2_9 C3_9 C4_9 C2_91 -48.1(4) . . . . ?
C5_91 C3_9 C4_9 C2_91 -57.3(7) . . . . ?
C4_91 C3_9 C4_9 C5_9 -71.9(9) . . . . ?
C3_91 C3_9 C4_9 C5_9 178(2) . . . . ?
C2_9 C3_9 C4_9 C5_9 0.0 . . . . ?
C5_91 C3_9 C4_9 C5_9 -9.2(4) . . . . ?
C3_91 C3_9 C4_9 C4_91 -110(2) . . . . ?
C2_9 C3_9 C4_9 C4_91 71.9(9) . . . . ?
C5_91 C3_9 C4_9 C4_91 62.7(8) . . . . ?
C3_9 C4_9 C5_9 C2_91 -97.4(6) . . . . ?
C4_91 C4_9 C5_9 C2_91 -114.8(7) . . . . ?
C2_91 C4_9 C5_9 C1_91 52.8(5) . . . . ?
C3_9 C4_9 C5_9 C1_91 -44.6(3) . . . . ?
C4_91 C4_9 C5_9 C1_91 -62.0(5) . . . . ?
C2_91 C4_9 C5_9 C6_9 97.4(6) . . . . ?
C3_9 C4_9 C5_9 C6_9 0.0 . . . . ?
C4_91 C4_9 C5_9 C6_9 -17.4(4) . . . . ?
C2_91 C4_9 C5_9 C3_91 95(3) . . . . ?
C3_9 C4_9 C5_9 C3_91 -3(3) . . . . ?
C4_91 C4_9 C5_9 C3_91 -20(3) . . . . ?
C2_91 C5_9 C6_9 C1_91 -22.6(4) . . . . ?
C4_9 C5_9 C6_9 C1_91 -77.5(4) . . . . ?
C3_91 C5_9 C6_9 C1_91 -77.1(4) . . . . ?
C2_91 C5_9 C6_9 C6_91 32.1(6) . . . . ?
C1_91 C5_9 C6_9 C6_91 54.6(4) . . . . ?
C4_9 C5_9 C6_9 C6_91 -22.8(4) . . . . ?
C3_91 C5_9 C6_9 C6_91 -22.5(6) . . . . ?
C2_91 C5_9 C6_9 C1_9 54.9(4) . . . . ?
C1_91 C5_9 C6_9 C1_9 77.5(4) . . . . ?
C4_9 C5_9 C6_9 C1_9 0.0 . . . . ?
C3_91 C5_9 C6_9 C1_9 0.3(3) . . . . ?
C1_91 C5_9 C6_9 C2_91 22.6(4) . . . . ?
C4_9 C5_9 C6_9 C2_91 -54.9(4) . . . . ?
C3_91 C5_9 C6_9 C2_91 -54.6(4) . . . . ?
C5_91 C1_9 C6_9 C1_91 76.3(7) . . . . ?
C2_9 C1_9 C6_9 C1_91 62.4(3) . . . . ?
C5_91 C1_9 C6_9 C6_91 95.9(10) . . . . ?
C2_9 C1_9 C6_9 C6_91 82.0(8) . . . . ?
C1_91 C1_9 C6_9 C6_91 19.6(7) . . . . ?
C5_91 C1_9 C6_9 C5_9 13.9(6) . . . . ?
C2_9 C1_9 C6_9 C5_9 0.0 . . . . ?
C1_91 C1_9 C6_9 C5_9 -62.4(3) . . . . ?
C5_91 C1_9 C6_9 C2_91 35.2(7) . . . . ?
C2_9 C1_9 C6_9 C2_91 21.3(3) . . . . ?
C1_91 C1_9 C6_9 C2_91 -41.1(2) . . . . ?
C6_91 C6_9 C1_91 C5_9 -129.4(2) . . . . ?
C1_9 C6_9 C1_91 C5_9 -122.22(16) . . . . ?
C2_91 C6_9 C1_91 C5_9 -14.3(2) . . . . ?
C6_91 C6_9 C1_91 C2_91 -115.1(2) . . . . ?
C5_9 C6_9 C1_91 C2_91 14.3(2) . . . . ?
C1_9 C6_9 C1_91 C2_91 -108.0(3) . . . . ?
C5_9 C6_9 C1_91 C6_91 129.4(2) . . . . ?
C1_9 C6_9 C1_91 C6_91 7.2(3) . . . . ?
C2_91 C6_9 C1_91 C6_91 115.1(2) . . . . ?
C6_91 C6_9 C1_91 C1_9 -7.2(3) . . . . ?
C5_9 C6_9 C1_91 C1_9 122.22(16) . . . . ?
C2_91 C6_9 C1_91 C1_9 108.0(3) . . . . ?
C2_91 C5_9 C1_91 C6_9 158.6(3) . . . . ?
C4_9 C5_9 C1_91 C6_9 119.8(3) . . . . ?
C3_91 C5_9 C1_91 C6_9 116.1(3) . . . . ?
C4_9 C5_9 C1_91 C2_91 -38.7(3) . . . . ?
C6_9 C5_9 C1_91 C2_91 -158.6(3) . . . . ?
C3_91 C5_9 C1_91 C2_91 -42.4(2) . . . . ?
C2_91 C5_9 C1_91 C6_91 111.3(4) . . . . ?
C4_9 C5_9 C1_91 C6_91 72.6(4) . . . . ?
C6_9 C5_9 C1_91 C6_91 -47.3(4) . . . . ?
C3_91 C5_9 C1_91 C6_91 68.9(4) . . . . ?
C2_91 C5_9 C1_91 C1_9 115.9(4) . . . . ?
C4_9 C5_9 C1_91 C1_9 77.2(3) . . . . ?
C6_9 C5_9 C1_91 C1_9 -42.7(2) . . . . ?
C3_91 C5_9 C1_91 C1_9 73.5(4) . . . . ?
C5_91 C1_9 C1_91 C6_9 -120.3(6) . . . . ?
C2_9 C1_9 C1_91 C6_9 -128.8(3) . . . . ?
C5_91 C1_9 C1_91 C5_9 -66.1(6) . . . . ?
C2_9 C1_9 C1_91 C5_9 -74.6(4) . . . . ?
C6_9 C1_9 C1_91 C5_9 54.2(4) . . . . ?
C5_91 C1_9 C1_91 C2_91 -26.6(8) . . . . ?
C2_9 C1_9 C1_91 C2_91 -35.1(4) . . . . ?
C6_9 C1_9 C1_91 C2_91 93.7(5) . . . . ?
C5_91 C1_9 C1_91 C6_91 92.4(14) . . . . ?
C2_9 C1_9 C1_91 C6_91 83.9(13) . . . . ?
C6_9 C1_9 C1_91 C6_91 -147.3(12) . . . . ?
C1_91 C5_9 C2_91 C4_9 -125.7(3) . . . . ?
C6_9 C5_9 C2_91 C4_9 -109.3(4) . . . . ?
C3_91 C5_9 C2_91 C4_9 -7.2(3) . . . . ?
C1_91 C5_9 C2_91 C3_91 -118.45(18) . . . . ?
C4_9 C5_9 C2_91 C3_91 7.2(3) . . . . ?
C6_9 C5_9 C2_91 C3_91 -102.1(4) . . . . ?
C4_9 C5_9 C2_91 C1_91 125.7(3) . . . . ?
C6_9 C5_9 C2_91 C1_91 16.3(3) . . . . ?
C3_91 C5_9 C2_91 C1_91 118.45(18) . . . . ?
C1_91 C5_9 C2_91 C6_9 -16.3(3) . . . . ?
C4_9 C5_9 C2_91 C6_9 109.3(4) . . . . ?
C3_91 C5_9 C2_91 C6_9 102.1(4) . . . . ?
C3_9 C4_9 C2_91 C5_9 106.4(5) . . . . ?
C4_91 C4_9 C2_91 C5_9 88.9(7) . . . . ?
C5_9 C4_9 C2_91 C3_91 -146.7(14) . . . . ?
C3_9 C4_9 C2_91 C3_91 -40.3(14) . . . . ?
C4_91 C4_9 C2_91 C3_91 -57.8(13) . . . . ?
C5_9 C4_9 C2_91 C1_91 -62.1(5) . . . . ?
C3_9 C4_9 C2_91 C1_91 44.4(7) . . . . ?
C4_91 C4_9 C2_91 C1_91 26.9(9) . . . . ?
C5_9 C4_9 C2_91 C6_9 -38.2(2) . . . . ?
C3_9 C4_9 C2_91 C6_9 68.2(5) . . . . ?
C4_91 C4_9 C2_91 C6_9 50.7(7) . . . . ?
C6_9 C1_91 C2_91 C5_9 -21.2(4) . . . . ?
C6_91 C1_91 C2_91 C5_9 -88.6(5) . . . . ?
C1_9 C1_91 C2_91 C5_9 -76.7(5) . . . . ?
C6_9 C1_91 C2_91 C4_9 52.3(7) . . . . ?
C5_9 C1_91 C2_91 C4_9 73.5(7) . . . . ?
C6_91 C1_91 C2_91 C4_9 -15.1(5) . . . . ?
C1_9 C1_91 C2_91 C4_9 -3.2(7) . . . . ?
C6_9 C1_91 C2_91 C3_91 67.4(5) . . . . ?
C5_9 C1_91 C2_91 C3_91 88.6(5) . . . . ?
C6_91 C1_91 C2_91 C3_91 0.0 . . . . ?
C1_9 C1_91 C2_91 C3_91 11.8(3) . . . . ?
C5_9 C1_91 C2_91 C6_9 21.2(4) . . . . ?
C6_91 C1_91 C2_91 C6_9 -67.4(5) . . . . ?
C1_9 C1_91 C2_91 C6_9 -55.5(4) . . . . ?
C4_91 C3_9 C3_91 C2_91 -111.0(9) . . . . ?
C2_9 C3_9 C3_91 C2_91 -32.2(9) . . . . ?
C4_9 C3_9 C3_91 C2_91 -34.5(16) . . . . ?
C5_91 C3_9 C3_91 C2_91 -42.9(10) . . . . ?
C2_9 C3_9 C3_91 C4_91 78.8(11) . . . . ?
C4_9 C3_9 C3_91 C4_91 77(2) . . . . ?
C5_91 C3_9 C3_91 C4_91 68.0(10) . . . . ?
C4_91 C3_9 C3_91 C5_9 -77.9(11) . . . . ?
C2_9 C3_9 C3_91 C5_9 0.9(10) . . . . ?
C4_9 C3_9 C3_91 C5_9 -1.3(15) . . . . ?
C5_91 C3_9 C3_91 C5_9 -9.8(10) . . . . ?
C5_9 C2_91 C3_91 C3_9 90.4(7) . . . . ?
C4_9 C2_91 C3_91 C3_9 124.2(19) . . . . ?
C1_91 C2_91 C3_91 C3_9 21.1(5) . . . . ?
C6_9 C2_91 C3_91 C3_9 49.7(6) . . . . ?
C5_9 C2_91 C3_91 C4_91 69.3(4) . . . . ?
C4_9 C2_91 C3_91 C4_91 103.1(17) . . . . ?
C1_91 C2_91 C3_91 C4_91 0.0 . . . . ?
C6_9 C2_91 C3_91 C4_91 28.6(3) . . . . ?
C4_9 C2_91 C3_91 C5_9 33.8(14) . . . . ?
C1_91 C2_91 C3_91 C5_9 -69.3(4) . . . . ?
C6_9 C2_91 C3_91 C5_9 -40.7(3) . . . . ?
C2_91 C5_9 C3_91 C3_9 -102.8(7) . . . . ?
C1_91 C5_9 C3_91 C3_9 -44.5(8) . . . . ?
C4_9 C5_9 C3_91 C3_9 177(4) . . . . ?
C6_9 C5_9 C3_91 C3_9 -0.7(8) . . . . ?
C1_91 C5_9 C3_91 C2_91 58.3(4) . . . . ?
C4_9 C5_9 C3_91 C2_91 -81(3) . . . . ?
C6_9 C5_9 C3_91 C2_91 102.0(5) . . . . ?
C2_91 C5_9 C3_91 C4_91 -122.6(4) . . . . ?
C1_91 C5_9 C3_91 C4_91 -64.3(5) . . . . ?
C4_9 C5_9 C3_91 C4_91 157(3) . . . . ?
C6_9 C5_9 C3_91 C4_91 -20.6(5) . . . . ?
C3_91 C3_9 C4_91 C2_9 128.5(6) . . . . ?
C4_9 C3_9 C4_91 C2_9 113.3(6) . . . . ?
C5_91 C3_9 C4_91 C2_9 9.8(3) . . . . ?
C3_91 C3_9 C4_91 C5_91 118.7(8) . . . . ?
C2_9 C3_9 C4_91 C5_91 -9.8(3) . . . . ?
C4_9 C3_9 C4_91 C5_91 103.5(6) . . . . ?
C2_9 C3_9 C4_91 C3_91 -128.5(6) . . . . ?
C4_9 C3_9 C4_91 C3_91 -15.2(4) . . . . ?
C5_91 C3_9 C4_91 C3_91 -118.7(8) . . . . ?
C3_91 C3_9 C4_91 C4_9 15.2(4) . . . . ?
C2_9 C3_9 C4_91 C4_9 -113.3(5) . . . . ?
C5_91 C3_9 C4_91 C4_9 -103.5(6) . . . . ?
C1_9 C2_9 C4_91 C3_9 -90.7(10) . . . . ?
C6_91 C2_9 C4_91 C3_9 -68.4(12) . . . . ?
C3_9 C2_9 C4_91 C5_91 136.9(12) . . . . ?
C1_9 C2_9 C4_91 C5_91 46.1(11) . . . . ?
C6_91 C2_9 C4_91 C5_91 68.4(11) . . . . ?
C3_9 C2_9 C4_91 C3_91 37.6(6) . . . . ?
C1_9 C2_9 C4_91 C3_91 -53.1(7) . . . . ?
C6_91 C2_9 C4_91 C3_91 -30.8(9) . . . . ?
C3_9 C2_9 C4_91 C4_9 48.8(5) . . . . ?
C1_9 C2_9 C4_91 C4_9 -41.9(8) . . . . ?
C6_91 C2_9 C4_91 C4_9 -19.6(9) . . . . ?
C2_91 C3_91 C4_91 C3_9 78.8(10) . . . . ?
C5_9 C3_91 C4_91 C3_9 108.5(11) . . . . ?
C3_9 C3_91 C4_91 C2_9 -62.8(10) . . . . ?
C2_91 C3_91 C4_91 C2_9 16.0(5) . . . . ?
C5_9 C3_91 C4_91 C2_9 45.7(6) . . . . ?
C3_9 C3_91 C4_91 C5_91 -78.8(10) . . . . ?
C2_91 C3_91 C4_91 C5_91 0.0 . . . . ?
C5_9 C3_91 C4_91 C5_91 29.7(3) . . . . ?
C3_9 C3_91 C4_91 C4_9 -116.6(19) . . . . ?
C2_91 C3_91 C4_91 C4_9 -37.8(13) . . . . ?
C5_9 C3_91 C4_91 C4_9 -8.1(11) . . . . ?
C2_91 C4_9 C4_91 C3_9 68.9(11) . . . . ?
C5_9 C4_9 C4_91 C3_9 116.0(8) . . . . ?
C2_91 C4_9 C4_91 C2_9 -9.1(10) . . . . ?
C5_9 C4_9 C4_91 C2_9 38.0(7) . . . . ?
C3_9 C4_9 C4_91 C2_9 -78.0(10) . . . . ?
C2_91 C4_9 C4_91 C5_91 -24.0(8) . . . . ?
C5_9 C4_9 C4_91 C5_91 23.2(5) . . . . ?
C3_9 C4_9 C4_91 C5_91 -92.8(10) . . . . ?
C2_91 C4_9 C4_91 C3_91 121.8(19) . . . . ?
C5_9 C4_9 C4_91 C3_91 168.9(15) . . . . ?
C3_9 C4_9 C4_91 C3_91 52.9(18) . . . . ?
C2_9 C1_9 C5_91 C6_91 7(3) . . . . ?
C6_9 C1_9 C5_91 C6_91 -73.6(9) . . . . ?
C1_91 C1_9 C5_91 C6_91 -36.7(7) . . . . ?
C2_9 C1_9 C5_91 C4_91 75.7(16) . . . . ?
C6_9 C1_9 C5_91 C4_91 -5.2(9) . . . . ?
C1_91 C1_9 C5_91 C4_91 31.7(9) . . . . ?
C2_9 C1_9 C5_91 C3_9 56.4(14) . . . . ?
C6_9 C1_9 C5_91 C3_9 -24.6(10) . . . . ?
C1_91 C1_9 C5_91 C3_9 12.4(9) . . . . ?
C3_9 C4_91 C5_91 C1_9 -65.3(9) . . . . ?
C2_9 C4_91 C5_91 C1_9 -110.0(16) . . . . ?
C3_91 C4_91 C5_91 C1_9 -21.4(6) . . . . ?
C4_9 C4_91 C5_91 C1_9 -13.0(8) . . . . ?
C3_9 C4_91 C5_91 C6_91 -43.9(8) . . . . ?
C2_9 C4_91 C5_91 C6_91 -88.6(13) . . . . ?
C3_91 C4_91 C5_91 C6_91 0.0 . . . . ?
C4_9 C4_91 C5_91 C6_91 8.4(3) . . . . ?
C2_9 C4_91 C5_91 C3_9 -44.7(14) . . . . ?
C3_91 C4_91 C5_91 C3_9 43.9(8) . . . . ?
C4_9 C4_91 C5_91 C3_9 52.3(7) . . . . ?
C4_91 C3_9 C5_91 C1_9 125.8(8) . . . . ?
C3_91 C3_9 C5_91 C1_9 24.6(13) . . . . ?
C2_9 C3_9 C5_91 C1_9 -109(2) . . . . ?
C4_9 C3_9 C5_91 C1_9 22.4(10) . . . . ?
C4_91 C3_9 C5_91 C6_91 141.3(7) . . . . ?
C3_91 C3_9 C5_91 C6_91 40.1(10) . . . . ?
C2_9 C3_9 C5_91 C6_91 -94.0(17) . . . . ?
C4_9 C3_9 C5_91 C6_91 37.9(5) . . . . ?
C3_91 C3_9 C5_91 C4_91 -101.2(14) . . . . ?
C2_9 C3_9 C5_91 C4_91 124.7(18) . . . . ?
C4_9 C3_9 C5_91 C4_91 -103.5(10) . . . . ?
C1_91 C6_9 C6_91 C5_91 109.1(3) . . . . ?
C5_9 C6_9 C6_91 C5_91 58.3(5) . . . . ?
C1_9 C6_9 C6_91 C5_91 -50.3(8) . . . . ?
C2_91 C6_9 C6_91 C5_91 71.6(4) . . . . ?
C5_9 C6_9 C6_91 C1_91 -50.8(3) . . . . ?
C1_9 C6_9 C6_91 C1_91 -159.5(7) . . . . ?
C2_91 C6_9 C6_91 C1_91 -37.54(17) . . . . ?
C1_91 C6_9 C6_91 C2_9 95.5(5) . . . . ?
C5_9 C6_9 C6_91 C2_9 44.7(7) . . . . ?
C1_9 C6_9 C6_91 C2_9 -63.9(8) . . . . ?
C2_91 C6_9 C6_91 C2_9 58.0(6) . . . . ?
C1_9 C5_91 C6_91 C6_9 73.1(11) . . . . ?
C4_91 C5_91 C6_91 C6_9 -50.8(3) . . . . ?
C3_9 C5_91 C6_91 C6_9 -64.0(5) . . . . ?
C1_9 C5_91 C6_91 C1_91 123.9(12) . . . . ?
C4_91 C5_91 C6_91 C1_91 0.0 . . . . ?
C3_9 C5_91 C6_91 C1_91 -13.2(3) . . . . ?
C1_9 C5_91 C6_91 C2_9 -174(2) . . . . ?
C4_91 C5_91 C6_91 C2_9 62.4(13) . . . . ?
C3_9 C5_91 C6_91 C2_9 49.2(11) . . . . ?
C5_9 C1_91 C6_91 C6_9 51.6(4) . . . . ?
C2_91 C1_91 C6_91 C6_9 95.3(4) . . . . ?
C1_9 C1_91 C6_91 C6_9 28.8(11) . . . . ?
C6_9 C1_91 C6_91 C5_91 -95.3(4) . . . . ?
C5_9 C1_91 C6_91 C5_91 -43.7(3) . . . . ?
C2_91 C1_91 C6_91 C5_91 0.0 . . . . ?
C1_9 C1_91 C6_91 C5_91 -66.5(12) . . . . ?
C6_9 C1_91 C6_91 C2_9 -107.8(6) . . . . ?
C5_9 C1_91 C6_91 C2_9 -56.2(5) . . . . ?
C2_91 C1_91 C6_91 C2_9 -12.5(4) . . . . ?
C1_9 C1_91 C6_91 C2_9 -79.0(13) . . . . ?
C4_91 C2_9 C6_91 C6_9 -21.2(10) . . . . ?
C3_9 C2_9 C6_91 C6_9 -43.1(7) . . . . ?
C1_9 C2_9 C6_91 C6_9 78.4(10) . . . . ?
C4_91 C2_9 C6_91 C5_91 -94.0(17) . . . . ?
C3_9 C2_9 C6_91 C5_91 -116.0(15) . . . . ?
C1_9 C2_9 C6_91 C5_91 6(2) . . . . ?
C4_91 C2_9 C6_91 C1_91 29.3(9) . . . . ?
C3_9 C2_9 C6_91 C1_91 7.3(6) . . . . ?
C1_9 C2_9 C6_91 C1_91 128.8(11) . . . . ?
C3_101 C1_10 C2_10 C4_101 -13.9(12) . . . . ?
C6_10 C1_10 C2_10 C4_101 19.8(6) . . . . ?
C3_101 C1_10 C2_10 C3_10 -33.7(15) . . . . ?
C4_101 C1_10 C2_10 C3_10 -19.8(6) . . . . ?
C6_10 C1_10 C2_10 C3_10 0.0 . . . . ?
C4_101 C2_10 C3_10 C4_10 -13.9(4) . . . . ?
C1_10 C2_10 C3_10 C4_10 0.0 . . . . ?
C4_101 C2_10 C3_10 C5_101 -8.3(3) . . . . ?
C1_10 C2_10 C3_10 C5_101 5.5(4) . . . . ?
C1_10 C2_10 C3_10 C4_101 13.9(4) . . . . ?
C2_10 C3_10 C4_10 C5_101 13.2(9) . . . . ?
C4_101 C3_10 C4_10 C5_101 3.5(7) . . . . ?
C2_10 C3_10 C4_10 C5_10 0.0 . . . . ?
C5_101 C3_10 C4_10 C5_10 -13.2(9) . . . . ?
C4_101 C3_10 C4_10 C5_10 -9.6(3) . . . . ?
C2_10 C3_10 C4_10 C6_101 -2.7(6) . . . . ?
C5_101 C3_10 C4_10 C6_101 -15.9(5) . . . . ?
C4_101 C3_10 C4_10 C6_101 -12.3(6) . . . . ?
C2_10 C3_10 C4_10 C4_101 9.6(3) . . . . ?
C5_101 C3_10 C4_10 C4_101 -3.5(7) . . . . ?
C5_101 C4_10 C5_10 C6_101 161(3) . . . . ?
C3_10 C4_10 C5_10 C6_101 -175.1(11) . . . . ?
C4_101 C4_10 C5_10 C6_101 176.1(12) . . . . ?
C3_10 C4_10 C5_10 C5_101 24.2(16) . . . . ?
C6_101 C4_10 C5_10 C5_101 -161(3) . . . . ?
C4_101 C4_10 C5_10 C5_101 15.4(14) . . . . ?
C5_101 C4_10 C5_10 C6_10 -24.2(16) . . . . ?
C3_10 C4_10 C5_10 C6_10 0.0 . . . . ?
C6_101 C4_10 C5_10 C6_10 175.1(11) . . . . ?
C4_101 C4_10 C5_10 C6_10 -8.8(3) . . . . ?
C5_101 C4_10 C5_10 C4_101 -15.4(14) . . . . ?
C3_10 C4_10 C5_10 C4_101 8.8(3) . . . . ?
C6_101 C4_10 C5_10 C4_101 -176.1(12) . . . . ?
C6_101 C5_10 C6_10 C3_101 -163.9(17) . . . . ?
C5_101 C5_10 C6_10 C3_101 13.4(12) . . . . ?
C4_10 C5_10 C6_10 C3_101 22.5(11) . . . . ?
C1_101 C5_10 C6_10 C3_101 -162.9(13) . . . . ?
C4_101 C5_10 C6_10 C3_101 11.5(9) . . . . ?
C6_101 C5_10 C6_10 C2_101 -5.5(14) . . . . ?
C5_101 C5_10 C6_10 C2_101 171.7(9) . . . . ?
C4_10 C5_10 C6_10 C2_101 -179.1(6) . . . . ?
C1_101 C5_10 C6_10 C2_101 -4.6(4) . . . . ?
C4_101 C5_10 C6_10 C2_101 169.9(8) . . . . ?
C6_101 C5_10 C6_10 C1_10 173.6(14) . . . . ?
C5_101 C5_10 C6_10 C1_10 -9.1(6) . . . . ?
C4_10 C5_10 C6_10 C1_10 0.0 . . . . ?
C1_101 C5_10 C6_10 C1_10 174.5(4) . . . . ?
C4_101 C5_10 C6_10 C1_10 -11.0(3) . . . . ?
C6_101 C5_10 C6_10 C4_101 -175.4(15) . . . . ?
C5_101 C5_10 C6_10 C4_101 1.8(5) . . . . ?
C4_10 C5_10 C6_10 C4_101 11.0(3) . . . . ?
C1_101 C5_10 C6_10 C4_101 -174.5(6) . . . . ?
C6_101 C5_10 C6_10 C1_101 -0.9(11) . . . . ?
C5_101 C5_10 C6_10 C1_101 176.3(9) . . . . ?
C4_10 C5_10 C6_10 C1_101 -174.5(4) . . . . ?
C4_101 C5_10 C6_10 C1_101 174.5(6) . . . . ?
C6_101 C5_10 C6_10 C5_101 -177(2) . . . . ?
C4_10 C5_10 C6_10 C5_101 9.1(6) . . . . ?
C1_101 C5_10 C6_10 C5_101 -176.3(9) . . . . ?
C4_101 C5_10 C6_10 C5_101 -1.8(5) . . . . ?
C5_101 C5_10 C6_10 C6_101 177.2(19) . . . . ?
C4_10 C5_10 C6_10 C6_101 -173.6(14) . . . . ?
C1_101 C5_10 C6_10 C6_101 0.9(11) . . . . ?
C4_101 C5_10 C6_10 C6_101 175.4(15) . . . . ?
C4_101 C1_10 C6_10 C3_101 -143.0(14) . . . . ?
C2_10 C1_10 C6_10 C3_101 -159.8(10) . . . . ?
C3_101 C1_10 C6_10 C2_101 -21.1(7) . . . . ?
C4_101 C1_10 C6_10 C2_101 -164.1(9) . . . . ?
C2_10 C1_10 C6_10 C2_101 179.2(6) . . . . ?
C3_101 C1_10 C6_10 C5_10 159.8(10) . . . . ?
C4_101 C1_10 C6_10 C5_10 16.7(5) . . . . ?
C2_10 C1_10 C6_10 C5_10 0.0 . . . . ?
C3_101 C1_10 C6_10 C4_101 143.0(14) . . . . ?
C2_10 C1_10 C6_10 C4_101 -16.7(5) . . . . ?
C3_101 C1_10 C6_10 C5_101 155.1(11) . . . . ?
C4_101 C1_10 C6_10 C5_101 12.1(4) . . . . ?
C2_10 C1_10 C6_10 C5_101 -4.7(3) . . . . ?
C3_101 C1_10 C6_10 C6_101 161.9(11) . . . . ?
C4_101 C1_10 C6_10 C6_101 18.9(6) . . . . ?
C2_10 C1_10 C6_10 C6_101 2.1(5) . . . . ?
C6_101 C5_10 C1_101 C2_101 -177.7(7) . . . . ?
C5_101 C5_10 C1_101 C2_101 -10(3) . . . . ?
C6_10 C5_10 C1_101 C2_101 3.0(3) . . . . ?
C4_101 C5_10 C1_101 C2_101 -1.6(5) . . . . ?
C5_101 C5_10 C1_101 C6_101 168(4) . . . . ?
C6_10 C5_10 C1_101 C6_101 -179.3(9) . . . . ?
C4_101 C5_10 C1_101 C6_101 176.1(12) . . . . ?
C6_101 C5_10 C1_101 C6_10 179.3(9) . . . . ?
C5_101 C5_10 C1_101 C6_10 -13(3) . . . . ?
C4_101 C5_10 C1_101 C6_10 -4.6(5) . . . . ?
C3_101 C6_10 C1_101 C2_101 -11.1(9) . . . . ?
C5_10 C6_10 C1_101 C2_101 -175.5(4) . . . . ?
C4_101 C6_10 C1_101 C2_101 -166.8(11) . . . . ?
C5_101 C6_10 C1_101 C2_101 -173.6(5) . . . . ?
C6_101 C6_10 C1_101 C2_101 -175.8(3) . . . . ?
C3_101 C6_10 C1_101 C6_101 164.7(13) . . . . ?
C2_101 C6_10 C1_101 C6_101 175.8(3) . . . . ?
C5_10 C6_10 C1_101 C6_101 0.3(4) . . . . ?
C4_101 C6_10 C1_101 C6_101 9.0(7) . . . . ?
C5_101 C6_10 C1_101 C6_101 2.18(18) . . . . ?
C3_101 C6_10 C1_101 C5_10 164.4(12) . . . . ?
C2_101 C6_10 C1_101 C5_10 175.5(4) . . . . ?
C4_101 C6_10 C1_101 C5_10 8.7(9) . . . . ?
C5_101 C6_10 C1_101 C5_10 1.9(5) . . . . ?
C6_101 C6_10 C1_101 C5_10 -0.3(4) . . . . ?
C3_101 C6_10 C2_101 C1_101 174.0(5) . . . . ?
C5_10 C6_10 C2_101 C1_101 4.6(4) . . . . ?
C1_10 C6_10 C2_101 C1_101 -174.5(4) . . . . ?
C4_101 C6_10 C2_101 C1_101 159.4(16) . . . . ?
C5_101 C6_10 C2_101 C1_101 13.5(11) . . . . ?
C6_101 C6_10 C2_101 C1_101 3.2(3) . . . . ?
C5_10 C6_10 C2_101 C3_101 -169.4(8) . . . . ?
C1_10 C6_10 C2_101 C3_101 11.5(4) . . . . ?
C4_101 C6_10 C2_101 C3_101 -14.6(12) . . . . ?
C1_101 C6_10 C2_101 C3_101 -174.0(5) . . . . ?
C5_101 C6_10 C2_101 C3_101 -160.4(16) . . . . ?
C6_101 C6_10 C2_101 C3_101 -170.8(8) . . . . ?
C6_101 C1_101 C2_101 C6_10 -4.7(4) . . . . ?
C5_10 C1_101 C2_101 C6_10 -3.7(3) . . . . ?
C6_101 C1_101 C2_101 C3_101 0.0 . . . . ?
C5_10 C1_101 C2_101 C3_101 1.1(3) . . . . ?
C6_10 C1_101 C2_101 C3_101 4.7(4) . . . . ?
C4_101 C1_10 C3_101 C6_10 35.4(13) . . . . ?
C2_10 C1_10 C3_101 C6_10 47(2) . . . . ?
C4_101 C1_10 C3_101 C2_101 65.0(17) . . . . ?
C2_10 C1_10 C3_101 C2_101 76(2) . . . . ?
C6_10 C1_10 C3_101 C2_101 29.6(7) . . . . ?
C2_10 C1_10 C3_101 C4_101 11.3(9) . . . . ?
C6_10 C1_10 C3_101 C4_101 -35.4(13) . . . . ?
C2_101 C6_10 C3_101 C1_10 161.6(6) . . . . ?
C5_10 C6_10 C3_101 C1_10 -36.8(17) . . . . ?
C4_101 C6_10 C3_101 C1_10 -24.7(10) . . . . ?
C1_101 C6_10 C3_101 C1_10 171.2(7) . . . . ?
C5_101 C6_10 C3_101 C1_10 -29.0(12) . . . . ?
C6_101 C6_10 C3_101 C1_10 -50(3) . . . . ?
C5_10 C6_10 C3_101 C2_101 161.6(13) . . . . ?
C1_10 C6_10 C3_101 C2_101 -161.6(6) . . . . ?
C4_101 C6_10 C3_101 C2_101 173.7(5) . . . . ?
C1_101 C6_10 C3_101 C2_101 9.6(8) . . . . ?
C5_101 C6_10 C3_101 C2_101 169.5(9) . . . . ?
C6_101 C6_10 C3_101 C2_101 148(2) . . . . ?
C2_101 C6_10 C3_101 C4_101 -173.7(5) . . . . ?
C5_10 C6_10 C3_101 C4_101 -12.1(9) . . . . ?
C1_10 C6_10 C3_101 C4_101 24.7(10) . . . . ?
C1_101 C6_10 C3_101 C4_101 -164.1(13) . . . . ?
C5_101 C6_10 C3_101 C4_101 -4.3(3) . . . . ?
C6_101 C6_10 C3_101 C4_101 -25.4(19) . . . . ?
C6_10 C2_101 C3_101 C1_10 -38.4(10) . . . . ?
C1_101 C2_101 C3_101 C1_10 -45.1(13) . . . . ?
C1_101 C2_101 C3_101 C6_10 -6.8(6) . . . . ?
C6_10 C2_101 C3_101 C4_101 6.8(6) . . . . ?
C1_101 C2_101 C3_101 C4_101 0.0 . . . . ?
C3_101 C1_10 C4_101 C2_10 174.2(5) . . . . ?
C6_10 C1_10 C4_101 C2_10 -161.8(5) . . . . ?
C3_101 C1_10 C4_101 C5_101 -52.9(15) . . . . ?
C2_10 C1_10 C4_101 C5_101 132.9(12) . . . . ?
C6_10 C1_10 C4_101 C5_101 -28.8(8) . . . . ?
C2_10 C1_10 C4_101 C3_101 -174.2(5) . . . . ?
C6_10 C1_10 C4_101 C3_101 24.1(9) . . . . ?
C3_101 C1_10 C4_101 C6_10 -24.1(9) . . . . ?
C2_10 C1_10 C4_101 C6_10 161.8(5) . . . . ?
C3_101 C1_10 C4_101 C3_10 -163.2(6) . . . . ?
C2_10 C1_10 C4_101 C3_10 22.6(6) . . . . ?
C6_10 C1_10 C4_101 C3_10 -139.1(10) . . . . ?
C3_101 C1_10 C4_101 C5_10 -36.6(12) . . . . ?
C2_10 C1_10 C4_101 C5_10 149.2(9) . . . . ?
C6_10 C1_10 C4_101 C5_10 -12.6(4) . . . . ?
C3_101 C1_10 C4_101 C4_10 -78.2(16) . . . . ?
C2_10 C1_10 C4_101 C4_10 107.6(14) . . . . ?
C6_10 C1_10 C4_101 C4_10 -54.1(11) . . . . ?
C3_10 C2_10 C4_101 C1_10 162.6(5) . . . . ?
C3_10 C2_10 C4_101 C5_101 10.3(4) . . . . ?
C1_10 C2_10 C4_101 C5_101 -152.3(8) . . . . ?
C3_10 C2_10 C4_101 C3_101 166.2(5) . . . . ?
C1_10 C2_10 C4_101 C3_101 3.6(3) . . . . ?
C3_10 C2_10 C4_101 C6_10 129.4(13) . . . . ?
C1_10 C2_10 C4_101 C6_10 -33.2(9) . . . . ?
C1_10 C2_10 C4_101 C3_10 -162.6(5) . . . . ?
C3_10 C2_10 C4_101 C5_10 33.0(10) . . . . ?
C1_10 C2_10 C4_101 C5_10 -129.6(14) . . . . ?
C3_10 C2_10 C4_101 C4_10 9.1(3) . . . . ?
C1_10 C2_10 C4_101 C4_10 -153.5(8) . . . . ?
C6_10 C3_101 C4_101 C1_10 -143.5(13) . . . . ?
C2_101 C3_101 C4_101 C1_10 -149.0(10) . . . . ?
C1_10 C3_101 C4_101 C2_10 -6.5(6) . . . . ?
C6_10 C3_101 C4_101 C2_10 -150.0(10) . . . . ?
C2_101 C3_101 C4_101 C2_10 -155.5(7) . . . . ?
C1_10 C3_101 C4_101 C5_101 149.0(10) . . . . ?
C6_10 C3_101 C4_101 C5_101 5.5(5) . . . . ?
C2_101 C3_101 C4_101 C5_101 0.0 . . . . ?
C1_10 C3_101 C4_101 C6_10 143.5(13) . . . . ?
C2_101 C3_101 C4_101 C6_10 -5.5(5) . . . . ?
C1_10 C3_101 C4_101 C3_10 60.2(19) . . . . ?
C6_10 C3_101 C4_101 C3_10 -83.3(19) . . . . ?
C2_101 C3_101 C4_101 C3_10 -88.8(18) . . . . ?
C1_10 C3_101 C4_101 C5_10 148.1(11) . . . . ?
C6_10 C3_101 C4_101 C5_10 4.6(4) . . . . ?
C2_101 C3_101 C4_101 C5_10 -0.9(3) . . . . ?
C1_10 C3_101 C4_101 C4_10 142.2(11) . . . . ?
C6_10 C3_101 C4_101 C4_10 -1.2(6) . . . . ?
C2_101 C3_101 C4_101 C4_10 -6.8(5) . . . . ?
C3_101 C6_10 C4_101 C1_10 20.8(8) . . . . ?
C2_101 C6_10 C4_101 C1_10 36.3(19) . . . . ?
C5_10 C6_10 C4_101 C1_10 -165.4(4) . . . . ?
C1_101 C6_10 C4_101 C1_10 -173.1(6) . . . . ?
C5_101 C6_10 C4_101 C1_10 -164.1(5) . . . . ?
C6_101 C6_10 C4_101 C1_10 -166.5(4) . . . . ?
C3_101 C6_10 C4_101 C2_10 56.2(15) . . . . ?
C2_101 C6_10 C4_101 C2_10 72(2) . . . . ?
C5_10 C6_10 C4_101 C2_10 -129.9(13) . . . . ?
C1_10 C6_10 C4_101 C2_10 35.4(10) . . . . ?
C1_101 C6_10 C4_101 C2_10 -137.6(12) . . . . ?
C5_101 C6_10 C4_101 C2_10 -128.7(13) . . . . ?
C6_101 C6_10 C4_101 C2_10 -131.0(12) . . . . ?
C3_101 C6_10 C4_101 C5_101 -175.1(4) . . . . ?
C2_101 C6_10 C4_101 C5_101 -159.6(16) . . . . ?
C5_10 C6_10 C4_101 C5_101 -1.2(3) . . . . ?
C1_10 C6_10 C4_101 C5_101 164.1(5) . . . . ?
C1_101 C6_10 C4_101 C5_101 -9.0(7) . . . . ?
C6_101 C6_10 C4_101 C5_101 -2.34(19) . . . . ?
C2_101 C6_10 C4_101 C3_101 15.5(12) . . . . ?
C5_10 C6_10 C4_101 C3_101 173.9(5) . . . . ?
C1_10 C6_10 C4_101 C3_101 -20.8(8) . . . . ?
C1_101 C6_10 C4_101 C3_101 166.2(11) . . . . ?
C5_101 C6_10 C4_101 C3_101 175.1(4) . . . . ?
C6_101 C6_10 C4_101 C3_101 172.8(6) . . . . ?
C3_101 C6_10 C4_101 C3_10 161.2(7) . . . . ?
C2_101 C6_10 C4_101 C3_10 176.7(13) . . . . ?
C5_10 C6_10 C4_101 C3_10 -24.9(8) . . . . ?
C1_10 C6_10 C4_101 C3_10 140.4(12) . . . . ?
C1_101 C6_10 C4_101 C3_10 -32.6(14) . . . . ?
C5_101 C6_10 C4_101 C3_10 -23.7(9) . . . . ?
C6_101 C6_10 C4_101 C3_10 -26.0(10) . . . . ?
C3_101 C6_10 C4_101 C5_10 -173.9(5) . . . . ?
C2_101 C6_10 C4_101 C5_10 -158.4(16) . . . . ?
C1_10 C6_10 C4_101 C5_10 165.4(4) . . . . ?
C1_101 C6_10 C4_101 C5_10 -7.7(8) . . . . ?
C5_101 C6_10 C4_101 C5_10 1.2(3) . . . . ?
C6_101 C6_10 C4_101 C5_10 -1.1(4) . . . . ?
C3_101 C6_10 C4_101 C4_10 179.1(4) . . . . ?
C2_101 C6_10 C4_101 C4_10 -165.4(15) . . . . ?
C5_10 C6_10 C4_101 C4_10 -7.0(2) . . . . ?
C1_10 C6_10 C4_101 C4_10 158.3(7) . . . . ?
C1_101 C6_10 C4_101 C4_10 -14.7(10) . . . . ?
C5_101 C6_10 C4_101 C4_10 -5.8(4) . . . . ?
C6_101 C6_10 C4_101 C4_10 -8.1(5) . . . . ?
C2_10 C3_10 C4_101 C1_10 -26.6(7) . . . . ?
C4_10 C3_10 C4_101 C1_10 141.1(10) . . . . ?
C5_101 C3_10 C4_101 C1_10 143.0(9) . . . . ?
C4_10 C3_10 C4_101 C2_10 167.8(4) . . . . ?
C5_101 C3_10 C4_101 C2_10 169.6(4) . . . . ?
C2_10 C3_10 C4_101 C5_101 -169.6(4) . . . . ?
C4_10 C3_10 C4_101 C5_101 -1.9(4) . . . . ?
C2_10 C3_10 C4_101 C3_101 -73.5(18) . . . . ?
C4_10 C3_10 C4_101 C3_101 94.3(18) . . . . ?
C5_101 C3_10 C4_101 C3_101 96.2(18) . . . . ?
C2_10 C3_10 C4_101 C6_10 -142.6(11) . . . . ?
C4_10 C3_10 C4_101 C6_10 25.2(8) . . . . ?
C5_101 C3_10 C4_101 C6_10 27.0(10) . . . . ?
C2_10 C3_10 C4_101 C5_10 -161.3(6) . . . . ?
C4_10 C3_10 C4_101 C5_10 6.4(2) . . . . ?
C5_101 C3_10 C4_101 C5_10 8.3(5) . . . . ?
C2_10 C3_10 C4_101 C4_10 -167.8(4) . . . . ?
C5_101 C3_10 C4_101 C4_10 1.9(4) . . . . ?
C5_101 C5_10 C4_101 C1_10 -162.1(7) . . . . ?
C4_10 C5_10 C4_101 C1_10 -154.4(8) . . . . ?
C6_10 C5_10 C4_101 C1_10 15.5(5) . . . . ?
C1_101 C5_10 C4_101 C1_10 21.0(9) . . . . ?
C5_101 C5_10 C4_101 C2_10 -42.0(15) . . . . ?
C4_10 C5_10 C4_101 C2_10 -34.3(10) . . . . ?
C6_10 C5_10 C4_101 C2_10 135.6(13) . . . . ?
C1_101 C5_10 C4_101 C2_10 141.1(11) . . . . ?
C4_10 C5_10 C4_101 C5_101 7.7(7) . . . . ?
C6_10 C5_10 C4_101 C5_101 177.6(6) . . . . ?
C1_101 C5_10 C4_101 C5_101 -176.9(10) . . . . ?
C5_101 C5_10 C4_101 C3_101 178.5(5) . . . . ?
C4_10 C5_10 C4_101 C3_101 -173.9(3) . . . . ?
C6_10 C5_10 C4_101 C3_101 -3.9(3) . . . . ?
C1_101 C5_10 C4_101 C3_101 1.6(5) . . . . ?
C5_101 C5_10 C4_101 C6_10 -177.6(6) . . . . ?
C4_10 C5_10 C4_101 C6_10 -169.9(3) . . . . ?
C1_101 C5_10 C4_101 C6_10 5.5(6) . . . . ?
C5_101 C5_10 C4_101 C3_10 -14.3(8) . . . . ?
C4_10 C5_10 C4_101 C3_10 -6.7(2) . . . . ?
C6_10 C5_10 C4_101 C3_10 163.3(5) . . . . ?
C1_101 C5_10 C4_101 C3_10 168.8(5) . . . . ?
C5_101 C5_10 C4_101 C4_10 -7.7(7) . . . . ?
C6_10 C5_10 C4_101 C4_10 169.9(3) . . . . ?
C1_101 C5_10 C4_101 C4_10 175.4(4) . . . . ?
C5_101 C4_10 C4_101 C1_10 73(2) . . . . ?
C5_10 C4_10 C4_101 C1_10 57.2(12) . . . . ?
C3_10 C4_10 C4_101 C1_10 -113.6(14) . . . . ?
C6_101 C4_10 C4_101 C1_10 58.6(13) . . . . ?
C5_101 C4_10 C4_101 C2_10 175.8(12) . . . . ?
C5_10 C4_10 C4_101 C2_10 160.0(6) . . . . ?
C3_10 C4_10 C4_101 C2_10 -10.7(3) . . . . ?
C6_101 C4_10 C4_101 C2_10 161.4(6) . . . . ?
C5_10 C4_10 C4_101 C5_101 -15.8(14) . . . . ?
C3_10 C4_10 C4_101 C5_101 173.5(13) . . . . ?
C6_101 C4_10 C4_101 C5_101 -14.4(11) . . . . ?
C5_101 C4_10 C4_101 C3_101 24.2(18) . . . . ?
C5_10 C4_10 C4_101 C3_101 8.5(4) . . . . ?
C3_10 C4_10 C4_101 C3_101 -162.3(6) . . . . ?
C6_101 C4_10 C4_101 C3_101 9.8(7) . . . . ?
C5_101 C4_10 C4_101 C6_10 23.4(16) . . . . ?
C5_10 C4_10 C4_101 C6_10 7.7(2) . . . . ?
C3_10 C4_10 C4_101 C6_10 -163.1(5) . . . . ?
C6_101 C4_10 C4_101 C6_10 9.0(6) . . . . ?
C5_101 C4_10 C4_101 C3_10 -173.5(13) . . . . ?
C5_10 C4_10 C4_101 C3_10 170.8(3) . . . . ?
C6_101 C4_10 C4_101 C3_10 172.1(4) . . . . ?
C5_101 C4_10 C4_101 C5_10 15.8(14) . . . . ?
C3_10 C4_10 C4_101 C5_10 -170.8(3) . . . . ?
C6_101 C4_10 C4_101 C5_10 1.4(4) . . . . ?
C3_10 C4_10 C5_101 C5_10 -159.2(13) . . . . ?
C6_101 C4_10 C5_101 C5_10 8.3(11) . . . . ?
C4_101 C4_10 C5_101 C5_10 -154(2) . . . . ?
C5_10 C4_10 C5_101 C6_101 -8.3(11) . . . . ?
C3_10 C4_10 C5_101 C6_101 -167.4(4) . . . . ?
C4_101 C4_10 C5_101 C6_101 -162.0(13) . . . . ?
C5_10 C4_10 C5_101 C4_101 154(2) . . . . ?
C3_10 C4_10 C5_101 C4_101 -5.4(11) . . . . ?
C6_101 C4_10 C5_101 C4_101 162.0(13) . . . . ?
C5_10 C4_10 C5_101 C3_10 159.2(13) . . . . ?
C6_101 C4_10 C5_101 C3_10 167.4(4) . . . . ?
C4_101 C4_10 C5_101 C3_10 5.4(11) . . . . ?
C5_10 C4_10 C5_101 C6_10 64(3) . . . . ?
C3_10 C4_10 C5_101 C6_10 -96(3) . . . . ?
C6_101 C4_10 C5_101 C6_10 72(3) . . . . ?
C4_101 C4_10 C5_101 C6_10 -90(3) . . . . ?
C6_101 C5_10 C5_101 C4_10 -24(3) . . . . ?
C6_10 C5_10 C5_101 C4_10 158.9(14) . . . . ?
C1_101 C5_10 C5_101 C4_10 170.9(18) . . . . ?
C4_101 C5_10 C5_101 C4_10 160.7(17) . . . . ?
C4_10 C5_10 C5_101 C6_101 24(3) . . . . ?
C6_10 C5_10 C5_101 C6_101 -177.4(18) . . . . ?
C1_101 C5_10 C5_101 C6_101 -165(5) . . . . ?
C4_101 C5_10 C5_101 C6_101 -175.6(14) . . . . ?
C6_101 C5_10 C5_101 C4_101 175.6(14) . . . . ?
C4_10 C5_10 C5_101 C4_101 -160.7(17) . . . . ?
C6_10 C5_10 C5_101 C4_101 -1.8(5) . . . . ?
C1_101 C5_10 C5_101 C4_101 10(3) . . . . ?
C6_101 C5_10 C5_101 C3_10 -137.4(15) . . . . ?
C4_10 C5_10 C5_101 C3_10 -114(3) . . . . ?
C6_10 C5_10 C5_101 C3_10 45(2) . . . . ?
C1_101 C5_10 C5_101 C3_10 57(5) . . . . ?
C4_101 C5_10 C5_101 C3_10 47(2) . . . . ?
C6_101 C5_10 C5_101 C6_10 177.4(18) . . . . ?
C4_10 C5_10 C5_101 C6_10 -158.9(14) . . . . ?
C1_101 C5_10 C5_101 C6_10 12(3) . . . . ?
C4_101 C5_10 C5_101 C6_10 1.8(5) . . . . ?
C1_10 C4_101 C5_101 C4_10 -128.9(18) . . . . ?
C2_10 C4_101 C5_101 C4_10 -4.6(13) . . . . ?
C3_101 C4_101 C5_101 C4_10 -159.9(15) . . . . ?
C6_10 C4_101 C5_101 C4_10 -156.2(16) . . . . ?
C3_10 C4_101 C5_101 C4_10 5.4(11) . . . . ?
C5_10 C4_101 C5_101 C4_10 -158(2) . . . . ?
C1_10 C4_101 C5_101 C5_10 29.2(11) . . . . ?
C2_10 C4_101 C5_101 C5_10 153.5(10) . . . . ?
C3_101 C4_101 C5_101 C5_10 -1.8(6) . . . . ?
C6_10 C4_101 C5_101 C5_10 1.8(5) . . . . ?
C3_10 C4_101 C5_101 C5_10 163.5(10) . . . . ?
C4_10 C4_101 C5_101 C5_10 158(2) . . . . ?
C1_10 C4_101 C5_101 C6_101 30.9(9) . . . . ?
C2_10 C4_101 C5_101 C6_101 155.2(7) . . . . ?
C3_101 C4_101 C5_101 C6_101 0.0 . . . . ?
C6_10 C4_101 C5_101 C6_101 3.6(3) . . . . ?
C3_10 C4_101 C5_101 C6_101 165.3(5) . . . . ?
C5_10 C4_101 C5_101 C6_101 1.8(6) . . . . ?
C4_10 C4_101 C5_101 C6_101 159.9(15) . . . . ?
C1_10 C4_101 C5_101 C3_10 -134.3(12) . . . . ?
C2_10 C4_101 C5_101 C3_10 -10.0(4) . . . . ?
C3_101 C4_101 C5_101 C3_10 -165.3(5) . . . . ?
C6_10 C4_101 C5_101 C3_10 -161.7(7) . . . . ?
C5_10 C4_101 C5_101 C3_10 -163.5(10) . . . . ?
C4_10 C4_101 C5_101 C3_10 -5.4(11) . . . . ?
C1_10 C4_101 C5_101 C6_10 27.3(8) . . . . ?
C2_10 C4_101 C5_101 C6_10 151.6(9) . . . . ?
C3_101 C4_101 C5_101 C6_10 -3.6(3) . . . . ?
C3_10 C4_101 C5_101 C6_10 161.7(7) . . . . ?
C5_10 C4_101 C5_101 C6_10 -1.8(5) . . . . ?
C4_10 C4_101 C5_101 C6_10 156.2(16) . . . . ?
C2_10 C3_10 C5_101 C4_10 -168.5(8) . . . . ?
C4_101 C3_10 C5_101 C4_10 -175.7(9) . . . . ?
C2_10 C3_10 C5_101 C5_10 -45(2) . . . . ?
C4_10 C3_10 C5_101 C5_10 124(3) . . . . ?
C4_101 C3_10 C5_101 C5_10 -52(2) . . . . ?
C2_10 C3_10 C5_101 C6_101 -112.3(16) . . . . ?
C4_10 C3_10 C5_101 C6_101 56.3(15) . . . . ?
C4_101 C3_10 C5_101 C6_101 -119.4(16) . . . . ?
C2_10 C3_10 C5_101 C4_101 7.1(3) . . . . ?
C4_10 C3_10 C5_101 C4_101 175.7(9) . . . . ?
C2_10 C3_10 C5_101 C6_10 -8.2(5) . . . . ?
C4_10 C3_10 C5_101 C6_10 160.4(13) . . . . ?
C4_101 C3_10 C5_101 C6_10 -15.3(5) . . . . ?
C3_101 C6_10 C5_101 C4_10 111(3) . . . . ?
C2_101 C6_10 C5_101 C4_10 -91(4) . . . . ?
C5_10 C6_10 C5_101 C4_10 -76(3) . . . . ?
C1_10 C6_10 C5_101 C4_10 96(3) . . . . ?
C4_101 C6_10 C5_101 C4_10 106(3) . . . . ?
C1_101 C6_10 C5_101 C4_10 -80(3) . . . . ?
C6_101 C6_10 C5_101 C4_10 -77(3) . . . . ?
C3_101 C6_10 C5_101 C5_10 -172.4(7) . . . . ?
C2_101 C6_10 C5_101 C5_10 -15.0(16) . . . . ?
C1_10 C6_10 C5_101 C5_10 172.1(5) . . . . ?
C4_101 C6_10 C5_101 C5_10 -177.6(6) . . . . ?
C1_101 C6_10 C5_101 C5_10 -3.2(8) . . . . ?
C6_101 C6_10 C5_101 C5_10 -0.9(7) . . . . ?
C3_101 C6_10 C5_101 C6_101 -171.4(7) . . . . ?
C2_101 C6_10 C5_101 C6_101 -14.1(11) . . . . ?
C5_10 C6_10 C5_101 C6_101 0.9(7) . . . . ?
C1_10 C6_10 C5_101 C6_101 173.0(3) . . . . ?
C4_101 C6_10 C5_101 C6_101 -176.7(3) . . . . ?
C1_101 C6_10 C5_101 C6_101 -2.27(19) . . . . ?
C3_101 C6_10 C5_101 C4_101 5.3(4) . . . . ?
C2_101 C6_10 C5_101 C4_101 162.6(14) . . . . ?
C5_10 C6_10 C5_101 C4_101 177.6(6) . . . . ?
C1_10 C6_10 C5_101 C4_101 -10.3(3) . . . . ?
C1_101 C6_10 C5_101 C4_101 174.4(5) . . . . ?
C6_101 C6_10 C5_101 C4_101 176.7(3) . . . . ?
C3_101 C6_10 C5_101 C3_10 23.7(10) . . . . ?
C2_101 C6_10 C5_101 C3_10 -178.9(11) . . . . ?
C5_10 C6_10 C5_101 C3_10 -163.9(11) . . . . ?
C1_10 C6_10 C5_101 C3_10 8.1(5) . . . . ?
C4_101 C6_10 C5_101 C3_10 18.4(7) . . . . ?
C1_101 C6_10 C5_101 C3_10 -167.2(5) . . . . ?
C6_101 C6_10 C5_101 C3_10 -164.9(5) . . . . ?
C4_10 C5_10 C6_101 C5_101 -9.2(12) . . . . ?
C6_10 C5_10 C6_101 C5_101 177(2) . . . . ?
C1_101 C5_10 C6_101 C5_101 175.6(14) . . . . ?
C5_101 C5_10 C6_101 C1_101 -175.6(14) . . . . ?
C4_10 C5_10 C6_101 C1_101 175.1(4) . . . . ?
C6_10 C5_10 C6_101 C1_101 0.9(11) . . . . ?
C5_101 C5_10 C6_101 C4_10 9.2(12) . . . . ?
C6_10 C5_10 C6_101 C4_10 -174.2(13) . . . . ?
C1_101 C5_10 C6_101 C4_10 -175.1(4) . . . . ?
C5_101 C5_10 C6_101 C6_10 -177(2) . . . . ?
C4_10 C5_10 C6_101 C6_10 174.2(13) . . . . ?
C1_101 C5_10 C6_101 C6_10 -0.9(11) . . . . ?
C4_10 C5_101 C6_101 C5_10 160(3) . . . . ?
C4_101 C5_101 C6_101 C5_10 -5.0(16) . . . . ?
C3_10 C5_101 C6_101 C5_10 108(3) . . . . ?
C6_10 C5_101 C6_101 C5_10 -2.1(15) . . . . ?
C4_10 C5_101 C6_101 C1_101 164.8(11) . . . . ?
C5_10 C5_101 C6_101 C1_101 5.0(16) . . . . ?
C4_101 C5_101 C6_101 C1_101 0.0 . . . . ?
C3_10 C5_101 C6_101 C1_101 112.7(17) . . . . ?
C6_10 C5_101 C6_101 C1_101 2.9(2) . . . . ?
C5_10 C5_101 C6_101 C4_10 -160(3) . . . . ?
C4_101 C5_101 C6_101 C4_10 -164.8(11) . . . . ?
C3_10 C5_101 C6_101 C4_10 -52.1(14) . . . . ?
C6_10 C5_101 C6_101 C4_10 -161.9(12) . . . . ?
C4_10 C5_101 C6_101 C6_10 161.9(12) . . . . ?
C5_10 C5_101 C6_101 C6_10 2.1(15) . . . . ?
C4_101 C5_101 C6_101 C6_10 -2.9(2) . . . . ?
C3_10 C5_101 C6_101 C6_10 109.8(18) . . . . ?
C2_101 C1_101 C6_101 C5_10 2.6(8) . . . . ?
C6_10 C1_101 C6_101 C5_10 -0.6(7) . . . . ?
C2_101 C1_101 C6_101 C5_101 0.0 . . . . ?
C5_10 C1_101 C6_101 C5_101 -2.6(8) . . . . ?
C6_10 C1_101 C6_101 C5_101 -3.2(3) . . . . ?
C2_101 C1_101 C6_101 C4_10 8.8(7) . . . . ?
C5_10 C1_101 C6_101 C4_10 6.1(4) . . . . ?
C6_10 C1_101 C6_101 C4_10 5.5(6) . . . . ?
C2_101 C1_101 C6_101 C6_10 3.2(3) . . . . ?
C5_10 C1_101 C6_101 C6_10 0.6(7) . . . . ?
C5_101 C4_10 C6_101 C5_10 -13.3(17) . . . . ?
C3_10 C4_10 C6_101 C5_10 6.6(15) . . . . ?
C4_101 C4_10 C6_101 C5_10 -3.6(11) . . . . ?
C5_10 C4_10 C6_101 C5_101 13.3(17) . . . . ?
C3_10 C4_10 C6_101 C5_101 19.9(7) . . . . ?
C4_101 C4_10 C6_101 C5_101 9.7(7) . . . . ?
C5_101 C4_10 C6_101 C1_101 -21.0(16) . . . . ?
C5_10 C4_10 C6_101 C1_101 -7.7(6) . . . . ?
C3_10 C4_10 C6_101 C1_101 -1.1(12) . . . . ?
C4_101 C4_10 C6_101 C1_101 -11.3(9) . . . . ?
C5_101 C4_10 C6_101 C6_10 -16.4(11) . . . . ?
C5_10 C4_10 C6_101 C6_10 -3.2(7) . . . . ?
C3_10 C4_10 C6_101 C6_10 3.5(8) . . . . ?
C4_101 C4_10 C6_101 C6_10 -6.8(4) . . . . ?
C3_101 C6_10 C6_101 C5_10 28(3) . . . . ?
C2_101 C6_10 C6_101 C5_10 175.1(13) . . . . ?
C1_10 C6_10 C6_101 C5_10 -7.7(17) . . . . ?
C4_101 C6_10 C6_101 C5_10 4.6(15) . . . . ?
C1_101 C6_10 C6_101 C5_10 178.9(13) . . . . ?
C5_101 C6_10 C6_101 C5_10 2.0(14) . . . . ?
C3_101 C6_10 C6_101 C5_101 26.4(19) . . . . ?
C2_101 C6_10 C6_101 C5_101 173.1(6) . . . . ?
C5_10 C6_10 C6_101 C5_101 -2.0(14) . . . . ?
C1_10 C6_10 C6_101 C5_101 -9.7(4) . . . . ?
C4_101 C6_10 C6_101 C5_101 2.5(2) . . . . ?
C1_101 C6_10 C6_101 C5_101 176.9(3) . . . . ?
C3_101 C6_10 C6_101 C1_101 -150(2) . . . . ?
C2_101 C6_10 C6_101 C1_101 -3.8(3) . . . . ?
C5_10 C6_10 C6_101 C1_101 -178.9(13) . . . . ?
C1_10 C6_10 C6_101 C1_101 173.4(5) . . . . ?
C4_101 C6_10 C6_101 C1_101 -174.4(5) . . . . ?
C5_101 C6_10 C6_101 C1_101 -176.9(3) . . . . ?
C3_101 C6_10 C6_101 C4_10 33(2) . . . . ?
C2_101 C6_10 C6_101 C4_10 179.7(6) . . . . ?
C5_10 C6_10 C6_101 C4_10 4.6(10) . . . . ?
C1_10 C6_10 C6_101 C4_10 -3.1(7) . . . . ?
C4_101 C6_10 C6_101 C4_10 9.2(6) . . . . ?
C1_101 C6_10 C6_101 C4_10 -176.5(4) . . . . ?
C5_101 C6_10 C6_101 C4_10 6.6(5) . . . . ?
C1_14 C2_14 C3_14 C4_14 179(2) . . . . ?
C2_14 C3_14 C4_14 C5_14 179(2) . . . . ?
C3_14 C4_14 C5_14 C6_14 -179(2) . . . . ?
C13_12 N5_11 C4_111 N4_11 -160.7(6) . . . . ?
C13_13 N5_11 C4_111 N4_11 -166.7(7) . . . . ?
C6_111 N5_11 C4_111 N4_11 0.0(2) . . . . ?
C13_12 N5_11 C4_111 B1_8 21.5(6) . . . . ?
C13_13 N5_11 C4_111 B1_8 15.6(7) . . . . ?
C6_111 N5_11 C4_111 B1_8 -177.76(17) . . . . ?
C4_11 N4_11 C4_111 N5_11 172.73(16) . . . . ?
C5_111 N4_11 C4_111 N5_11 -4.4(2) . . . . ?
C4_11 N4_11 C4_111 B1_8 -9.4(3) . . . . ?
C5_111 N4_11 C4_111 B1_8 173.45(16) . . . . ?
N1_8 B1_8 C4_111 N5_11 32.3(3) . . . . ?
C1_6 B1_8 C4_111 N5_11 -90.2(2) . . . . ?
N1_8 B1_8 C4_111 N4_11 -145.10(17) . . . . ?
C1_6 B1_8 C4_111 N4_11 92.4(2) . . . . ?
C4_111 N4_11 C5_111 C6_111 6.7(2) . . . . ?
C4_11 N4_11 C5_111 C6_111 -170.78(16) . . . . ?
C4_111 N5_11 C6_111 C5_111 4.0(2) . . . . ?
C13_12 N5_11 C6_111 C5_111 166.1(4) . . . . ?
C13_13 N5_11 C6_111 C5_111 172.0(6) . . . . ?
N4_11 C5_111 C6_111 N5_11 -5.97(19) . . . . ?
C4_5 N4_5 C4_51 N5_5 -169.10(17) . . . . ?
C5_51 N4_5 C4_51 N5_5 3.2(2) . . . . ?
C4_5 N4_5 C4_51 B1_3 16.4(3) . . . . ?
C5_51 N4_5 C4_51 B1_3 -171.27(17) . . . . ?
C13_5 N5_5 C4_51 N4_5 160.19(17) . . . . ?
C6_51 N5_5 C4_51 N4_5 -5.0(2) . . . . ?
C13_5 N5_5 C4_51 B1_3 -25.6(3) . . . . ?
C6_51 N5_5 C4_51 B1_3 169.29(17) . . . . ?
N1_4 B1_3 C4_51 N4_5 139.11(17) . . . . ?
C1_1 B1_3 C4_51 N4_5 -98.7(2) . . . . ?
N1_4 B1_3 C4_51 N5_5 -34.4(2) . . . . ?
C1_1 B1_3 C4_51 N5_5 87.8(2) . . . . ?
C4_51 N4_5 C5_51 C6_51 -0.2(2) . . . . ?
C4_5 N4_5 C5_51 C6_51 172.85(16) . . . . ?
C4_51 N5_5 C6_51 C5_51 4.6(2) . . . . ?
C13_5 N5_5 C6_51 C5_51 -161.67(17) . . . . ?
N4_5 C5_51 C6_51 N5_5 -2.5(2) . . . . ?
 
_refine_diff_density_max    0.422
_refine_diff_density_min   -0.344
_refine_diff_density_rms    0.043



