# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mk1211_0m
_database_code_depnum_ccdc_archive 'CCDC 2071514'
loop_
_audit_author_name
_audit_author_address
'Guang Wu'
;UC Santa Barbara
United States of America
;
_audit_update_record             
;
2021-11-24 deposited with the CCDC.	2022-02-21 downloaded from the CCDC.
;
_audit_creation_date             2021-10-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H60 B20 Cs2 O4 P4, C40 H60 Co2'
_chemical_formula_sum            'C92 H120 B20 Co2 Cs2 O4 P4'
_chemical_formula_weight         2013.63
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.1327(15)
_cell_length_b                   17.9260(18)
_cell_length_c                   22.865(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.927(4)
_cell_angle_gamma                90
_cell_volume                     4826.8(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    861
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      3.51
_shelx_estimated_absorpt_T_max   0.889
_shelx_estimated_absorpt_T_min   0.795
_exptl_absorpt_coefficient_mu    1.202
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.7009
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0459 before and 0.0406 after correction.
The Ratio of minimum to maximum transmission is 0.9402.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            34189
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.157
_diffrn_reflns_theta_min         1.460
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8812
_reflns_number_total             10682
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL n/a (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.932
_refine_diff_density_min         -0.774
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         10682
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0344
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0407P)²+6.1259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0844
_refine_ls_wR_factor_ref         0.0898
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2A), C3(H3A), C4(H4A), C5(H5A), C6(H6A), C8(H8A), C9(H9A), C10(H10A),
 C11(H11), C12(H12), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22),
  C23(H23), C24(H24), C25(H25), C26(H26)
2.b Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C), C36(H36A,H36B,H36C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C)
2.c Boron cage BH refined with riding coordinates:
 B1(H1), B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B9(H9), B10(H10)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
B1 B 0.8453(2) 0.70131(16) 0.64779(12) 0.0133(6) Uani 1 1 d . . . . .
H1 H 0.7746 0.6708 0.6611 0.016 Uiso 1 1 calc R U . . .
B2 B 0.8732(2) 0.78824(16) 0.61109(12) 0.0128(5) Uani 1 1 d . . . . .
H2 H 0.8271 0.8429 0.6060 0.015 Uiso 1 1 calc R U . . .
B3 B 0.9327(2) 0.73583(16) 0.55615(12) 0.0114(5) Uani 1 1 d . . . . .
H3 H 0.9069 0.7477 0.5066 0.014 Uiso 1 1 calc R U . . .
B4 B 0.9652(2) 0.75484(16) 0.68030(12) 0.0125(5) Uani 1 1 d . . . . .
H4 H 0.9639 0.7850 0.7230 0.015 Uiso 1 1 calc R U . . .
B5 B 1.0215(2) 0.78808(16) 0.61908(12) 0.0126(5) Uani 1 1 d . . . . .
H5 H 1.0598 0.8443 0.6157 0.015 Uiso 1 1 calc R U . . .
B6 B 1.0783(2) 0.70904(16) 0.59013(12) 0.0122(5) Uani 1 1 d . . . . .
H6 H 1.1425 0.7179 0.5629 0.015 Uiso 1 1 calc R U . . .
B7 B 1.0986(2) 0.72319(16) 0.66973(12) 0.0130(6) Uani 1 1 d . . . . .
H7 H 1.1788 0.7413 0.7022 0.016 Uiso 1 1 calc R U . . .
B8 B 0.9855(2) 0.63235(16) 0.57120(12) 0.0121(5) Uani 1 1 d . . . . .
B9 B 1.1005(2) 0.63183(16) 0.64126(12) 0.0127(5) Uani 1 1 d . . . . .
H9 H 1.1829 0.6094 0.6687 0.015 Uiso 1 1 calc R U . . .
B10 B 0.9950(2) 0.65465(15) 0.68597(12) 0.0113(5) Uani 1 1 d . . . . .
H10 H 0.9909 0.6235 0.7278 0.014 Uiso 1 1 calc R U . . .
C1 C 0.8289(2) 0.47178(14) 0.65119(11) 0.0153(5) Uani 1 1 d . . . . .
C2 C 0.7303(2) 0.50784(15) 0.62032(13) 0.0215(6) Uani 1 1 d . . . . .
H2A H 0.7358 0.5499 0.5959 0.026 Uiso 1 1 calc R U . . .
C3 C 0.6241(3) 0.48306(18) 0.62480(15) 0.0299(7) Uani 1 1 d . . . . .
H3A H 0.5575 0.5071 0.6024 0.036 Uiso 1 1 calc R U . . .
C4 C 0.6153(3) 0.42340(18) 0.66184(15) 0.0311(7) Uani 1 1 d . . . . .
H4A H 0.5428 0.4071 0.6655 0.037 Uiso 1 1 calc R U . . .
C5 C 0.7126(3) 0.38763(17) 0.69352(14) 0.0291(7) Uani 1 1 d . . . . .
H5A H 0.7068 0.3470 0.7193 0.035 Uiso 1 1 calc R U . . .
C6 C 0.8181(3) 0.41088(15) 0.68777(12) 0.0218(6) Uani 1 1 d . . . . .
H6A H 0.8842 0.3852 0.7089 0.026 Uiso 1 1 calc R U . . .
C7 C 1.0668(2) 0.46469(14) 0.70349(12) 0.0176(5) Uani 1 1 d . . . . .
C8 C 1.1547(3) 0.41867(16) 0.69538(14) 0.0254(6) Uani 1 1 d . . . . .
H8A H 1.1610 0.4069 0.6558 0.030 Uiso 1 1 calc R U . . .
C9 C 1.2332(3) 0.39001(18) 0.74497(16) 0.0334(8) Uani 1 1 d . . . . .
H9A H 1.2940 0.3598 0.7392 0.040 Uiso 1 1 calc R U . . .
C10 C 1.2229(3) 0.40536(17) 0.80217(15) 0.0338(8) Uani 1 1 d . . . . .
H10A H 1.2754 0.3845 0.8359 0.041 Uiso 1 1 calc R U . . .
C11 C 1.1364(3) 0.45107(16) 0.81104(13) 0.0289(7) Uani 1 1 d . . . . .
H11 H 1.1305 0.4623 0.8508 0.035 Uiso 1 1 calc R U . . .
C12 C 1.0583(3) 0.48050(15) 0.76194(12) 0.0212(6) Uani 1 1 d . . . . .
H12 H 0.9988 0.5116 0.7682 0.025 Uiso 1 1 calc R U . . .
C13 C 0.9749(2) 0.59569(14) 0.63074(10) 0.0113(5) Uani 1 1 d . . . . .
C14 C 0.8208(2) 0.71216(13) 0.57899(10) 0.0102(5) Uani 1 1 d . . . . .
C15 C 0.6748(2) 0.76087(15) 0.46517(11) 0.0151(5) Uani 1 1 d . . . . .
C16 C 0.6805(2) 0.83778(16) 0.47349(12) 0.0206(6) Uani 1 1 d . . . . .
H16 H 0.6905 0.8579 0.5129 0.025 Uiso 1 1 calc R U . . .
C17 C 0.6716(2) 0.88527(16) 0.42458(13) 0.0232(6) Uani 1 1 d . . . . .
H17 H 0.6762 0.9377 0.4307 0.028 Uiso 1 1 calc R U . . .
C18 C 0.6561(2) 0.85647(17) 0.36672(13) 0.0239(6) Uani 1 1 d . . . . .
H18 H 0.6502 0.8892 0.3334 0.029 Uiso 1 1 calc R U . . .
C19 C 0.6494(2) 0.78059(18) 0.35780(12) 0.0248(6) Uani 1 1 d . . . . .
H19 H 0.6385 0.7608 0.3183 0.030 Uiso 1 1 calc R U . . .
C20 C 0.6586(2) 0.73272(16) 0.40666(12) 0.0210(6) Uani 1 1 d . . . . .
H20 H 0.6538 0.6803 0.4002 0.025 Uiso 1 1 calc R U . . .
C21 C 0.5779(2) 0.71640(15) 0.56420(11) 0.0150(5) Uani 1 1 d . . . . .
C22 C 0.4853(2) 0.66853(16) 0.55554(12) 0.0204(6) Uani 1 1 d . . . . .
H22 H 0.4821 0.6258 0.5306 0.024 Uiso 1 1 calc R U . . .
C23 C 0.3975(2) 0.68303(18) 0.58330(13) 0.0261(6) Uani 1 1 d . . . . .
H23 H 0.3349 0.6497 0.5776 0.031 Uiso 1 1 calc R U . . .
C24 C 0.4001(2) 0.74510(18) 0.61890(13) 0.0248(6) Uani 1 1 d . . . . .
H24 H 0.3392 0.7549 0.6372 0.030 Uiso 1 1 calc R U . . .
C25 C 0.4921(2) 0.79325(17) 0.62803(13) 0.0251(6) Uani 1 1 d . . . . .
H25 H 0.4945 0.8361 0.6528 0.030 Uiso 1 1 calc R U . . .
C26 C 0.5809(2) 0.77862(16) 0.60083(13) 0.0210(6) Uani 1 1 d . . . . .
H26 H 0.6441 0.8115 0.6074 0.025 Uiso 1 1 calc R U . . .
C27 C 0.2187(3) 0.98146(16) 0.37930(15) 0.0286(7) Uani 1 1 d . . . . .
C28 C 0.0981(3) 0.98440(15) 0.36629(13) 0.0281(7) Uani 1 1 d . . . . .
C29 C 0.0637(2) 0.94711(16) 0.41464(14) 0.0258(7) Uani 1 1 d . . . . .
C30 C 0.1635(3) 0.92250(15) 0.45615(12) 0.0227(6) Uani 1 1 d . . . . .
C31 C 0.2582(3) 0.94340(17) 0.43418(14) 0.0280(7) Uani 1 1 d . . . . .
C32 C 0.2933(4) 1.0154(2) 0.34212(19) 0.0534(12) Uani 1 1 d . . . . .
H32A H 0.3028 1.0689 0.3510 0.080 Uiso 1 1 calc R U . . .
H32B H 0.2577 1.0085 0.2992 0.080 Uiso 1 1 calc R U . . .
H32C H 0.3677 0.9910 0.3520 0.080 Uiso 1 1 calc R U . . .
C33 C 0.0242(4) 1.0216(2) 0.31249(16) 0.0498(11) Uani 1 1 d . . . . .
H33A H 0.0165 1.0746 0.3212 0.075 Uiso 1 1 calc R U . . .
H33B H -0.0510 0.9981 0.3030 0.075 Uiso 1 1 calc R U . . .
H33C H 0.0585 1.0165 0.2780 0.075 Uiso 1 1 calc R U . . .
C34 C -0.0561(3) 0.9389(2) 0.4201(2) 0.0526(12) Uani 1 1 d . . . . .
H34A H -0.0631 0.8933 0.4425 0.079 Uiso 1 1 calc R U . . .
H34B H -0.1071 0.9361 0.3798 0.079 Uiso 1 1 calc R U . . .
H34C H -0.0766 0.9821 0.4416 0.079 Uiso 1 1 calc R U . . .
C35 C 0.1656(4) 0.8821(2) 0.51387(15) 0.0486(11) Uani 1 1 d . . . . .
H35A H 0.2293 0.8469 0.5225 0.073 Uiso 1 1 calc R U . . .
H35B H 0.0942 0.8548 0.5100 0.073 Uiso 1 1 calc R U . . .
H35C H 0.1747 0.9182 0.5469 0.073 Uiso 1 1 calc R U . . .
C36 C 0.3795(3) 0.9286(3) 0.46713(19) 0.0551(12) Uani 1 1 d . . . . .
H36A H 0.4258 0.9214 0.4379 0.083 Uiso 1 1 calc R U . . .
H36B H 0.3828 0.8835 0.4918 0.083 Uiso 1 1 calc R U . . .
H36C H 0.4087 0.9711 0.4932 0.083 Uiso 1 1 calc R U . . .
C37 C 0.0438(2) 0.80471(15) 0.31695(12) 0.0191(6) Uani 1 1 d . . . . .
C38 C 0.1300(2) 0.83137(14) 0.28898(11) 0.0139(5) Uani 1 1 d . . . . .
C39 C 0.2379(2) 0.81085(15) 0.32614(11) 0.0177(5) Uani 1 1 d . . . . .
C40 C 0.2170(3) 0.77112(16) 0.37716(12) 0.0238(6) Uani 1 1 d . . . . .
C41 C 0.0970(3) 0.76767(15) 0.37082(13) 0.0226(6) Uani 1 1 d . . . . .
C42 C -0.0825(3) 0.8121(2) 0.29092(15) 0.0355(8) Uani 1 1 d . . . . .
H42A H -0.1096 0.7697 0.2643 0.053 Uiso 1 1 calc R U . . .
H42B H -0.0982 0.8586 0.2679 0.053 Uiso 1 1 calc R U . . .
H42C H -0.1218 0.8128 0.3237 0.053 Uiso 1 1 calc R U . . .
C43 C 0.1099(3) 0.87248(16) 0.23042(12) 0.0233(6) Uani 1 1 d . . . . .
H43A H 0.1749 0.9049 0.2305 0.035 Uiso 1 1 calc R U . . .
H43B H 0.0410 0.9028 0.2252 0.035 Uiso 1 1 calc R U . . .
H43C H 0.1006 0.8366 0.1972 0.035 Uiso 1 1 calc R U . . .
C44 C 0.3504(2) 0.8255(2) 0.31371(14) 0.0311(7) Uani 1 1 d . . . . .
H44A H 0.3712 0.7838 0.2908 0.047 Uiso 1 1 calc R U . . .
H44B H 0.4076 0.8309 0.3519 0.047 Uiso 1 1 calc R U . . .
H44C H 0.3469 0.8716 0.2902 0.047 Uiso 1 1 calc R U . . .
C45 C 0.3038(3) 0.7363(2) 0.42763(14) 0.0423(9) Uani 1 1 d . . . . .
H45A H 0.2817 0.7441 0.4657 0.063 Uiso 1 1 calc R U . . .
H45B H 0.3779 0.7594 0.4300 0.063 Uiso 1 1 calc R U . . .
H45C H 0.3084 0.6827 0.4202 0.063 Uiso 1 1 calc R U . . .
C46 C 0.0374(3) 0.72975(18) 0.41289(15) 0.0374(8) Uani 1 1 d . . . . .
H46A H -0.0370 0.7530 0.4095 0.056 Uiso 1 1 calc R U . . .
H46B H 0.0830 0.7346 0.4544 0.056 Uiso 1 1 calc R U . . .
H46C H 0.0271 0.6768 0.4023 0.056 Uiso 1 1 calc R U . . .
Co1 Co 0.15216(3) 0.87634(2) 0.37318(2) 0.01152(8) Uani 1 1 d . . . . .
Cs1 Cs 1.18756(2) 0.50365(2) 0.53218(2) 0.02084(6) Uani 1 1 d . . . . .
O1 O 0.67796(16) 0.61785(10) 0.50177(8) 0.0177(4) Uani 1 1 d . . . . .
O2 O 0.98233(16) 0.45900(10) 0.58213(8) 0.0176(4) Uani 1 1 d . . . . .
P1 P 0.96498(6) 0.49875(3) 0.63727(3) 0.01207(13) Uani 1 1 d . . . . .
P2 P 0.69194(5) 0.69519(4) 0.52716(3) 0.01265(13) Uani 1 1 d . . . . .
H8 H 0.981(2) 0.6044(16) 0.5299(13) 0.014(7) Uiso 1 1 d . . . . .


_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
B1 H1 1.1200 . ?
B1 B2 1.839(4) . ?
B1 B4 1.752(4) . ?
B1 B10 1.999(4) . ?
B1 C14 1.541(4) . ?
B2 H2 1.1200 . ?
B2 B3 1.849(4) . ?
B2 B4 1.805(4) . ?
B2 B5 1.765(4) . ?
B2 C14 1.605(4) . ?
B3 H3 1.1200 . ?
B3 B5 1.834(4) . ?
B3 B6 1.815(4) . ?
B3 B8 1.966(4) . ?
B3 C14 1.623(4) . ?
B4 H4 1.1200 . ?
B4 B5 1.801(4) . ?
B4 B7 1.786(4) . ?
B4 B10 1.830(4) . ?
B5 H5 1.1200 . ?
B5 B6 1.771(4) . ?
B5 B7 1.746(4) . ?
B6 H6 1.1200 . ?
B6 B7 1.795(4) . ?
B6 B8 1.764(4) . ?
B6 B9 1.790(4) . ?
B7 H7 1.1200 . ?
B7 B9 1.764(4) . ?
B7 B10 1.858(4) . ?
B8 B9 1.854(4) . ?
B8 C13 1.545(4) . ?
B8 Cs1 3.631(3) . ?
B8 Cs1 3.681(3) 3_766 ?
B8 H8 1.06(3) . ?
B9 H9 1.1200 . ?
B9 B10 1.866(4) . ?
B9 C13 1.620(4) . ?
B9 Cs1 3.726(3) . ?
B10 H10 1.1200 . ?
B10 C13 1.620(4) . ?
C1 C2 1.393(4) . ?
C1 C6 1.400(4) . ?
C1 P1 1.820(3) . ?
C2 H2A 0.9500 . ?
C2 C3 1.390(4) . ?
C2 Cs1 3.856(3) 3_766 ?
C3 H3A 0.9500 . ?
C3 C4 1.384(5) . ?
C4 H4A 0.9500 . ?
C4 C5 1.385(5) . ?
C5 H5A 0.9500 . ?
C5 C6 1.382(4) . ?
C6 H6A 0.9500 . ?
C7 C8 1.396(4) . ?
C7 C12 1.394(4) . ?
C7 P1 1.814(3) . ?
C8 H8A 0.9500 . ?
C8 C9 1.392(4) . ?
C9 H9A 0.9500 . ?
C9 C10 1.371(5) . ?
C10 H10A 0.9500 . ?
C10 C11 1.384(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.387(4) . ?
C12 H12 0.9500 . ?
C13 P1 1.751(3) . ?
C14 P2 1.746(2) . ?
C15 C16 1.391(4) . ?
C15 C20 1.399(4) . ?
C15 P2 1.816(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.390(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.375(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.392(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.389(4) . ?
C21 C26 1.390(4) . ?
C21 P2 1.828(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.390(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.386(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.393(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.422(5) . ?
C27 C31 1.407(5) . ?
C27 C32 1.511(5) . ?
C27 Co1 2.042(3) . ?
C28 C29 1.437(4) . ?
C28 C33 1.494(4) . ?
C28 Co1 2.039(3) . ?
C29 C30 1.418(4) . ?
C29 C34 1.495(4) . ?
C29 Co1 2.037(3) . ?
C30 C31 1.411(4) . ?
C30 C35 1.500(4) . ?
C30 Co1 2.044(3) . ?
C31 C36 1.507(5) . ?
C31 Co1 2.045(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.433(4) . ?
C37 C41 1.411(4) . ?
C37 C42 1.510(4) . ?
C37 Co1 2.054(3) . ?
C38 C39 1.427(4) . ?
C38 C43 1.496(4) . ?
C38 Co1 2.044(2) . ?
C39 C40 1.440(4) . ?
C39 C44 1.484(4) . ?
C39 Co1 2.038(3) . ?
C40 C41 1.429(4) . ?
C40 C45 1.498(4) . ?
C40 Co1 2.037(3) . ?
C41 C46 1.498(4) . ?
C41 Co1 2.056(3) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
Cs1 B8 3.681(3) 3_766 ?
Cs1 C2 3.855(3) 3_766 ?
Cs1 Cs1 4.4354(6) 3_766 ?
Cs1 O1 2.9356(18) 3_766 ?
Cs1 O2 3.0844(19) . ?
Cs1 O2 2.9893(18) 3_766 ?
Cs1 P1 4.0247(8) . ?
Cs1 P1 3.8714(8) 3_766 ?
Cs1 P2 4.1999(7) 3_766 ?
Cs1 H8 3.08(3) . ?
O1 Cs1 2.9356(18) 3_766 ?
O1 P2 1.4969(19) . ?
O2 Cs1 2.9894(18) 3_766 ?
O2 P1 1.5065(18) . ?
P1 Cs1 3.8714(8) 3_766 ?
P2 Cs1 4.1998(7) 3_766 ?

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
B2 B1 H1 140.8 . . ?
B2 B1 B10 107.84(18) . . ?
B4 B1 H1 139.8 . . ?
B4 B1 B2 60.30(15) . . ?
B4 B1 B10 57.97(15) . . ?
B10 B1 H1 110.6 . . ?
C14 B1 H1 111.6 . . ?
C14 B1 B2 55.87(15) . . ?
C14 B1 B4 107.5(2) . . ?
C14 B1 B10 115.5(2) . . ?
B1 B2 H2 130.2 . . ?
B1 B2 B3 91.38(18) . . ?
B3 B2 H2 129.9 . . ?
B4 B2 B1 57.44(15) . . ?
B4 B2 H2 124.7 . . ?
B4 B2 B3 99.60(18) . . ?
B5 B2 B1 104.25(19) . . ?
B5 B2 H2 118.9 . . ?
B5 B2 B3 60.94(15) . . ?
B5 B2 B4 60.57(16) . . ?
C14 B2 B1 52.63(15) . . ?
C14 B2 H2 124.3 . . ?
C14 B2 B3 55.52(15) . . ?
C14 B2 B4 102.25(19) . . ?
C14 B2 B5 109.1(2) . . ?
B2 B3 H3 122.0 . . ?
B2 B3 B8 121.65(19) . . ?
B5 B3 B2 57.28(15) . . ?
B5 B3 H3 131.6 . . ?
B5 B3 B8 103.83(17) . . ?
B6 B3 B2 110.03(18) . . ?
B6 B3 H3 119.3 . . ?
B6 B3 B5 58.08(15) . . ?
B6 B3 B8 55.43(14) . . ?
B8 B3 H3 110.9 . . ?
C14 B3 B2 54.61(15) . . ?
C14 B3 H3 108.8 . . ?
C14 B3 B5 105.08(19) . . ?
C14 B3 B6 126.6(2) . . ?
C14 B3 B8 87.68(17) . . ?
B1 B4 B2 62.26(16) . . ?
B1 B4 H4 116.7 . . ?
B1 B4 B5 106.45(19) . . ?
B1 B4 B7 117.1(2) . . ?
B1 B4 B10 67.81(16) . . ?
B2 B4 H4 118.0 . . ?
B2 B4 B10 117.23(19) . . ?
B5 B4 B2 58.62(15) . . ?
B5 B4 H4 127.3 . . ?
B5 B4 B10 105.91(19) . . ?
B7 B4 B2 112.1(2) . . ?
B7 B4 H4 118.4 . . ?
B7 B4 B5 58.24(15) . . ?
B7 B4 B10 61.82(16) . . ?
B10 B4 H4 117.1 . . ?
B2 B5 B3 61.79(16) . . ?
B2 B5 B4 60.82(16) . . ?
B2 B5 H5 114.9 . . ?
B2 B5 B6 116.2(2) . . ?
B3 B5 H5 125.4 . . ?
B4 B5 B3 100.33(19) . . ?
B4 B5 H5 126.4 . . ?
B6 B5 B3 60.43(15) . . ?
B6 B5 B4 106.27(19) . . ?
B6 B5 H5 119.2 . . ?
B7 B5 B2 116.1(2) . . ?
B7 B5 B3 107.47(19) . . ?
B7 B5 B4 60.46(16) . . ?
B7 B5 H5 118.7 . . ?
B7 B5 B6 61.36(16) . . ?
B3 B6 H6 117.4 . . ?
B5 B6 B3 61.49(16) . . ?
B5 B6 H6 118.7 . . ?
B5 B6 B7 58.61(15) . . ?
B5 B6 B9 112.7(2) . . ?
B7 B6 B3 106.20(19) . . ?
B7 B6 H6 126.8 . . ?
B8 B6 B3 66.62(16) . . ?
B8 B6 B5 115.6(2) . . ?
B8 B6 H6 117.5 . . ?
B8 B6 B7 106.44(19) . . ?
B8 B6 B9 62.89(16) . . ?
B9 B6 B3 117.5(2) . . ?
B9 B6 H6 117.2 . . ?
B9 B6 B7 58.98(15) . . ?
B4 B7 B6 105.91(19) . . ?
B4 B7 H7 119.3 . . ?
B4 B7 B10 60.26(16) . . ?
B5 B7 B4 61.30(16) . . ?
B5 B7 B6 60.03(16) . . ?
B5 B7 H7 119.2 . . ?
B5 B7 B9 115.2(2) . . ?
B5 B7 B10 107.03(19) . . ?
B6 B7 H7 126.7 . . ?
B6 B7 B10 100.06(18) . . ?
B9 B7 B4 115.9(2) . . ?
B9 B7 B6 60.37(16) . . ?
B9 B7 H7 115.2 . . ?
B9 B7 B10 61.92(16) . . ?
B10 B7 H7 125.5 . . ?
B3 B8 Cs1 113.63(13) . 3_766 ?
B3 B8 Cs1 140.14(15) . . ?
B3 B8 H8 110.1(15) . . ?
B6 B8 B3 57.95(15) . . ?
B6 B8 B9 59.25(15) . . ?
B6 B8 Cs1 154.91(16) . 3_766 ?
B6 B8 Cs1 97.29(14) . . ?
B6 B8 H8 119.0(16) . . ?
B9 B8 B3 107.57(18) . . ?
B9 B8 Cs1 138.24(15) . 3_766 ?
B9 B8 Cs1 78.29(12) . . ?
B9 B8 H8 129.7(15) . . ?
C13 B8 B3 117.6(2) . . ?
C13 B8 B6 107.4(2) . . ?
C13 B8 B9 56.05(15) . . ?
C13 B8 Cs1 97.38(15) . 3_766 ?
C13 B8 Cs1 98.68(15) . . ?
C13 B8 H8 125.9(15) . . ?
Cs1 B8 Cs1 74.69(5) . 3_766 ?
Cs1 B8 H8 38.0(15) 3_766 . ?
Cs1 B8 H8 51.4(15) . . ?
B6 B9 B8 57.87(15) . . ?
B6 B9 H9 128.2 . . ?
B6 B9 B10 99.97(18) . . ?
B6 B9 Cs1 93.56(14) . . ?
B7 B9 B6 60.65(16) . . ?
B7 B9 B8 103.91(19) . . ?
B7 B9 H9 102.5 . . ?
B7 B9 B10 61.51(16) . . ?
B7 B9 Cs1 148.22(16) . . ?
B8 B9 H9 150.6 . . ?
B8 B9 B10 89.98(17) . . ?
B8 B9 Cs1 72.56(12) . . ?
B10 B9 H9 114.2 . . ?
B10 B9 Cs1 147.61(15) . . ?
C13 B9 B6 102.95(19) . . ?
C13 B9 B7 109.3(2) . . ?
C13 B9 B8 52.29(14) . . ?
C13 B9 H9 128.4 . . ?
C13 B9 B10 54.83(15) . . ?
C13 B9 Cs1 93.57(14) . . ?
Cs1 B9 H9 78.2 . . ?
B1 B10 H10 111.1 . . ?
B4 B10 B1 54.22(14) . . ?
B4 B10 B7 57.91(15) . . ?
B4 B10 B9 109.04(19) . . ?
B4 B10 H10 120.1 . . ?
B7 B10 B1 102.91(18) . . ?
B7 B10 B9 56.57(15) . . ?
B7 B10 H10 132.2 . . ?
B9 B10 B1 121.55(18) . . ?
B9 B10 H10 122.4 . . ?
C13 B10 B1 88.95(17) . . ?
C13 B10 B4 126.5(2) . . ?
C13 B10 B7 104.96(19) . . ?
C13 B10 B9 54.85(15) . . ?
C13 B10 H10 108.1 . . ?
C2 C1 C6 118.2(3) . . ?
C2 C1 P1 119.5(2) . . ?
C6 C1 P1 122.0(2) . . ?
C1 C2 H2A 119.6 . . ?
C1 C2 Cs1 93.23(17) . 3_766 ?
C3 C2 C1 120.8(3) . . ?
C3 C2 H2A 119.6 . . ?
C3 C2 Cs1 119.7(2) . 3_766 ?
Cs1 C2 H2A 56.0 3_766 . ?
C2 C3 H3A 119.9 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3A 119.9 . . ?
C3 C4 H4A 120.1 . . ?
C3 C4 C5 119.7(3) . . ?
C5 C4 H4A 120.1 . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 C4 120.2(3) . . ?
C6 C5 H5A 119.9 . . ?
C1 C6 H6A 119.5 . . ?
C5 C6 C1 120.9(3) . . ?
C5 C6 H6A 119.5 . . ?
C8 C7 P1 118.5(2) . . ?
C12 C7 C8 118.8(3) . . ?
C12 C7 P1 122.6(2) . . ?
C7 C8 H8A 119.8 . . ?
C9 C8 C7 120.3(3) . . ?
C9 C8 H8A 119.8 . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 C8 120.1(3) . . ?
C10 C9 H9A 120.0 . . ?
C9 C10 H10A 119.8 . . ?
C9 C10 C11 120.3(3) . . ?
C11 C10 H10A 119.8 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(3) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 119.8 . . ?
C11 C12 C7 120.3(3) . . ?
C11 C12 H12 119.8 . . ?
B8 C13 B9 71.66(18) . . ?
B8 C13 B10 112.4(2) . . ?
B8 C13 P1 121.29(18) . . ?
B9 C13 P1 117.75(17) . . ?
B10 C13 B9 70.32(17) . . ?
B10 C13 P1 125.59(18) . . ?
B1 C14 B2 71.51(18) . . ?
B1 C14 B3 113.0(2) . . ?
B1 C14 P2 126.27(18) . . ?
B2 C14 B3 69.87(17) . . ?
B2 C14 P2 130.47(18) . . ?
B3 C14 P2 120.57(17) . . ?
C16 C15 C20 118.6(2) . . ?
C16 C15 P2 122.9(2) . . ?
C20 C15 P2 118.4(2) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.3(3) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.9(3) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(3) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 C15 120.7(3) . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C26 119.0(2) . . ?
C22 C21 P2 118.8(2) . . ?
C26 C21 P2 122.2(2) . . ?
C21 C22 H22 119.9 . . ?
C21 C22 C23 120.1(3) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.1 . . ?
C23 C24 C25 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.8(3) . . ?
C26 C25 H25 120.1 . . ?
C21 C26 C25 120.6(3) . . ?
C21 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C32 126.3(3) . . ?
C28 C27 Co1 69.50(17) . . ?
C31 C27 C28 108.5(3) . . ?
C31 C27 C32 125.2(3) . . ?
C31 C27 Co1 69.98(17) . . ?
C32 C27 Co1 127.9(2) . . ?
C27 C28 C29 107.3(3) . . ?
C27 C28 C33 124.9(3) . . ?
C27 C28 Co1 69.70(17) . . ?
C29 C28 C33 127.8(3) . . ?
C29 C28 Co1 69.28(16) . . ?
C33 C28 Co1 127.3(2) . . ?
C28 C29 C34 125.3(3) . . ?
C28 C29 Co1 69.43(16) . . ?
C30 C29 C28 107.5(3) . . ?
C30 C29 C34 127.2(3) . . ?
C30 C29 Co1 69.93(16) . . ?
C34 C29 Co1 127.5(2) . . ?
C29 C30 C35 124.8(3) . . ?
C29 C30 Co1 69.42(15) . . ?
C31 C30 C29 108.5(3) . . ?
C31 C30 C35 126.8(3) . . ?
C31 C30 Co1 69.86(16) . . ?
C35 C30 Co1 127.2(2) . . ?
C27 C31 C30 108.3(3) . . ?
C27 C31 C36 127.8(3) . . ?
C27 C31 Co1 69.73(17) . . ?
C30 C31 C36 123.8(3) . . ?
C30 C31 Co1 69.77(16) . . ?
C36 C31 Co1 128.0(2) . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C42 125.1(3) . . ?
C38 C37 Co1 69.19(14) . . ?
C41 C37 C38 108.5(2) . . ?
C41 C37 C42 126.4(3) . . ?
C41 C37 Co1 70.01(15) . . ?
C42 C37 Co1 128.9(2) . . ?
C37 C38 C43 125.8(2) . . ?
C37 C38 Co1 69.88(14) . . ?
C39 C38 C37 108.2(2) . . ?
C39 C38 C43 126.0(2) . . ?
C39 C38 Co1 69.32(14) . . ?
C43 C38 Co1 127.21(18) . . ?
C38 C39 C40 107.1(2) . . ?
C38 C39 C44 126.5(3) . . ?
C38 C39 Co1 69.76(14) . . ?
C40 C39 C44 126.3(3) . . ?
C40 C39 Co1 69.24(15) . . ?
C44 C39 Co1 127.5(2) . . ?
C39 C40 C45 127.0(3) . . ?
C39 C40 Co1 69.36(15) . . ?
C41 C40 C39 108.2(2) . . ?
C41 C40 C45 124.8(3) . . ?
C41 C40 Co1 70.30(16) . . ?
C45 C40 Co1 127.7(2) . . ?
C37 C41 C40 108.0(2) . . ?
C37 C41 C46 125.7(3) . . ?
C37 C41 Co1 69.81(15) . . ?
C40 C41 C46 126.3(3) . . ?
C40 C41 Co1 68.85(16) . . ?
C46 C41 Co1 128.1(2) . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C40 C45 H45A 109.5 . . ?
C40 C45 H45B 109.5 . . ?
C40 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C27 Co1 C30 68.01(12) . . ?
C27 Co1 C31 40.29(13) . . ?
C27 Co1 C37 143.42(13) . . ?
C27 Co1 C38 112.88(11) . . ?
C27 Co1 C41 175.61(14) . . ?
C28 Co1 C27 40.80(14) . . ?
C28 Co1 C30 68.63(12) . . ?
C28 Co1 C31 68.42(13) . . ?
C28 Co1 C37 113.58(12) . . ?
C28 Co1 C38 109.56(11) . . ?
C28 Co1 C41 143.27(14) . . ?
C29 Co1 C27 68.73(12) . . ?
C29 Co1 C28 41.29(13) . . ?
C29 Co1 C30 40.65(12) . . ?
C29 Co1 C31 68.41(12) . . ?
C29 Co1 C37 110.55(11) . . ?
C29 Co1 C38 135.97(11) . . ?
C29 Co1 C39 175.61(12) . . ?
C29 Co1 C41 113.44(12) . . ?
C30 Co1 C31 40.37(12) . . ?
C30 Co1 C37 136.41(12) . . ?
C30 Co1 C38 176.37(12) . . ?
C30 Co1 C41 110.90(11) . . ?
C31 Co1 C37 175.97(12) . . ?
C31 Co1 C41 136.23(13) . . ?
C37 Co1 C41 40.17(11) . . ?
C38 Co1 C31 142.44(12) . . ?
C38 Co1 C37 40.93(10) . . ?
C38 Co1 C41 68.49(10) . . ?
C39 Co1 C27 108.91(12) . . ?
C39 Co1 C28 134.57(12) . . ?
C39 Co1 C30 142.56(12) . . ?
C39 Co1 C31 112.41(12) . . ?
C39 Co1 C37 68.94(11) . . ?
C39 Co1 C38 40.91(10) . . ?
C39 Co1 C41 69.19(11) . . ?
C40 Co1 C27 135.20(14) . . ?
C40 Co1 C28 175.28(14) . . ?
C40 Co1 C29 142.83(13) . . ?
C40 Co1 C30 113.23(11) . . ?
C40 Co1 C31 109.95(13) . . ?
C40 Co1 C37 68.35(12) . . ?
C40 Co1 C38 68.83(10) . . ?
C40 Co1 C39 41.40(11) . . ?
C40 Co1 C41 40.85(13) . . ?
B8 Cs1 B8 105.31(5) . 3_766 ?
B8 Cs1 B9 29.15(6) . . ?
B8 Cs1 B9 128.93(6) 3_766 . ?
B8 Cs1 C2 67.38(6) 3_766 3_766 ?
B8 Cs1 C2 126.36(6) . 3_766 ?
B8 Cs1 Cs1 52.14(4) 3_766 3_766 ?
B8 Cs1 Cs1 53.18(4) . 3_766 ?
B8 Cs1 P1 93.70(4) . 3_766 ?
B8 Cs1 P1 44.65(4) 3_766 3_766 ?
B8 Cs1 P1 43.73(5) . . ?
B8 Cs1 P1 90.45(5) 3_766 . ?
B8 Cs1 P2 54.52(4) 3_766 3_766 ?
B8 Cs1 P2 157.95(5) . 3_766 ?
B8 Cs1 H8 15.5(5) . . ?
B8 Cs1 H8 92.3(5) 3_766 . ?
B9 Cs1 C2 144.57(6) . 3_766 ?
B9 Cs1 Cs1 78.85(4) . 3_766 ?
B9 Cs1 P1 43.51(5) . . ?
B9 Cs1 P1 122.17(4) . 3_766 ?
B9 Cs1 P2 156.41(4) . 3_766 ?
B9 Cs1 H8 44.7(5) . . ?
C2 Cs1 Cs1 99.56(4) 3_766 3_766 ?
C2 Cs1 P1 153.55(4) 3_766 . ?
C2 Cs1 P1 42.23(4) 3_766 3_766 ?
C2 Cs1 P2 58.44(4) 3_766 3_766 ?
C2 Cs1 H8 113.8(5) 3_766 . ?
Cs1 Cs1 H8 41.0(5) 3_766 . ?
O1 Cs1 B8 170.95(6) 3_766 . ?
O1 Cs1 B8 66.81(6) 3_766 3_766 ?
O1 Cs1 B9 154.12(5) 3_766 . ?
O1 Cs1 C2 55.96(5) 3_766 3_766 ?
O1 Cs1 Cs1 118.79(4) 3_766 3_766 ?
O1 Cs1 O2 117.06(5) 3_766 . ?
O1 Cs1 O2 104.19(5) 3_766 3_766 ?
O1 Cs1 P1 83.65(4) 3_766 3_766 ?
O1 Cs1 P1 129.58(4) 3_766 . ?
O1 Cs1 P2 13.11(4) 3_766 3_766 ?
O1 Cs1 H8 158.8(5) 3_766 . ?
O2 Cs1 B8 71.30(6) . 3_766 ?
O2 Cs1 B8 54.61(6) . . ?
O2 Cs1 B8 54.56(6) 3_766 3_766 ?
O2 Cs1 B8 73.04(6) 3_766 . ?
O2 Cs1 B9 61.84(5) . . ?
O2 Cs1 B9 101.55(5) 3_766 . ?
O2 Cs1 C2 136.74(5) . 3_766 ?
O2 Cs1 C2 59.67(6) 3_766 3_766 ?
O2 Cs1 Cs1 42.26(3) . 3_766 ?
O2 Cs1 Cs1 43.94(4) 3_766 3_766 ?
O2 Cs1 O2 86.20(5) 3_766 . ?
O2 Cs1 P1 20.68(3) 3_766 3_766 ?
O2 Cs1 P1 19.23(3) . . ?
O2 Cs1 P1 97.68(4) . 3_766 ?
O2 Cs1 P1 96.11(4) 3_766 . ?
O2 Cs1 P2 97.35(3) 3_766 3_766 ?
O2 Cs1 P2 105.91(3) . 3_766 ?
O2 Cs1 H8 55.3(5) . . ?
O2 Cs1 H8 57.8(5) 3_766 . ?
P1 Cs1 Cs1 57.479(11) 3_766 3_766 ?
P1 Cs1 Cs1 54.203(12) . 3_766 ?
P1 Cs1 P1 111.682(14) 3_766 . ?
P1 Cs1 P2 77.699(14) 3_766 3_766 ?
P1 Cs1 P2 120.673(14) . 3_766 ?
P1 Cs1 H8 78.4(5) 3_766 . ?
P1 Cs1 H8 50.4(5) . . ?
P2 Cs1 Cs1 106.078(11) 3_766 3_766 ?
P2 Cs1 H8 146.8(5) 3_766 . ?
P2 O1 Cs1 140.48(10) . 3_766 ?
Cs1 O2 Cs1 93.80(5) 3_766 . ?
P1 O2 Cs1 114.83(9) . 3_766 ?
P1 O2 Cs1 118.36(9) . . ?
C1 P1 Cs1 86.38(8) . 3_766 ?
C1 P1 Cs1 151.32(8) . . ?
C7 P1 C1 103.22(13) . . ?
C7 P1 Cs1 153.77(9) . 3_766 ?
C7 P1 Cs1 94.92(9) . . ?
C13 P1 C1 111.23(12) . . ?
C13 P1 C7 111.00(12) . . ?
C13 P1 Cs1 81.83(8) . . ?
C13 P1 Cs1 87.23(8) . 3_766 ?
Cs1 P1 Cs1 68.318(14) 3_766 . ?
O2 P1 C1 109.64(11) . . ?
O2 P1 C7 109.57(12) . . ?
O2 P1 C13 111.83(11) . . ?
O2 P1 Cs1 42.41(7) . . ?
O2 P1 Cs1 44.49(7) . 3_766 ?
C14 P2 C15 109.42(12) . . ?
C14 P2 C21 107.67(12) . . ?
C14 P2 Cs1 92.44(8) . 3_766 ?
C15 P2 C21 105.63(12) . . ?
C15 P2 Cs1 106.35(9) . 3_766 ?
C21 P2 Cs1 133.43(9) . 3_766 ?
O1 P2 C14 115.08(11) . . ?
O1 P2 C15 108.47(11) . . ?
O1 P2 C21 110.16(12) . . ?
O1 P2 Cs1 26.41(7) . 3_766 ?

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
B1 B2 B3 B5 -105.56(18) . . . . ?
B1 B2 B3 B6 -80.1(2) . . . . ?
B1 B2 B3 B8 -19.1(2) . . . . ?
B1 B2 B3 C14 41.13(16) . . . . ?
B1 B2 B4 B5 134.1(2) . . . . ?
B1 B2 B4 B7 110.0(2) . . . . ?
B1 B2 B4 B10 41.4(2) . . . . ?
B1 B2 B5 B3 83.53(19) . . . . ?
B1 B2 B5 B4 -38.66(17) . . . . ?
B1 B2 B5 B6 56.1(3) . . . . ?
B1 B2 B5 B7 -13.2(3) . . . . ?
B1 B2 C14 B3 -124.2(2) . . . . ?
B1 B2 C14 P2 122.3(3) . . . . ?
B1 B4 B5 B2 41.53(19) . . . . ?
B1 B4 B5 B3 -7.8(2) . . . . ?
B1 B4 B5 B6 -69.8(2) . . . . ?
B1 B4 B5 B7 -112.1(2) . . . . ?
B1 B4 B7 B5 93.3(2) . . . . ?
B1 B4 B7 B6 51.7(3) . . . . ?
B1 B4 B7 B9 -12.6(3) . . . . ?
B1 B4 B7 B10 -40.9(2) . . . . ?
B1 B4 B10 B7 140.97(19) . . . . ?
B1 B4 B10 B9 115.7(2) . . . . ?
B1 B4 B10 C13 55.8(3) . . . . ?
B1 B10 C13 B8 71.3(2) . . . . ?
B1 B10 C13 B9 130.77(18) . . . . ?
B1 B10 C13 P1 -118.6(2) . . . . ?
B1 C14 P2 C15 147.3(2) . . . . ?
B1 C14 P2 C21 32.9(2) . . . . ?
B1 C14 P2 Cs1 -104.4(2) . . . 3_766 ?
B1 C14 P2 O1 -90.3(2) . . . . ?
B2 B1 B4 B5 -39.76(18) . . . . ?
B2 B1 B4 B7 -102.0(2) . . . . ?
B2 B1 B4 B10 -140.61(19) . . . . ?
B2 B1 C14 B3 57.6(2) . . . . ?
B2 B1 C14 P2 -127.1(2) . . . . ?
B2 B3 B5 B4 48.68(17) . . . . ?
B2 B3 B5 B6 151.6(2) . . . . ?
B2 B3 B5 B7 110.8(2) . . . . ?
B2 B3 B6 B5 -25.19(19) . . . . ?
B2 B3 B6 B7 14.0(3) . . . . ?
B2 B3 B6 B8 115.3(2) . . . . ?
B2 B3 B6 B9 77.0(3) . . . . ?
B2 B3 C14 B1 -58.5(2) . . . . ?
B2 B3 C14 P2 125.9(2) . . . . ?
B2 B4 B5 B3 -49.29(17) . . . . ?
B2 B4 B5 B6 -111.3(2) . . . . ?
B2 B4 B5 B7 -153.6(2) . . . . ?
B2 B4 B7 B5 24.17(19) . . . . ?
B2 B4 B7 B6 -17.4(3) . . . . ?
B2 B4 B7 B9 -81.7(3) . . . . ?
B2 B4 B7 B10 -110.0(2) . . . . ?
B2 B4 B10 B1 -39.2(2) . . . . ?
B2 B4 B10 B7 101.8(2) . . . . ?
B2 B4 B10 B9 76.5(2) . . . . ?
B2 B4 B10 C13 16.7(4) . . . . ?
B2 B5 B6 B3 27.8(2) . . . . ?
B2 B5 B6 B7 -106.9(2) . . . . ?
B2 B5 B6 B8 -12.6(3) . . . . ?
B2 B5 B6 B9 -82.3(3) . . . . ?
B2 B5 B7 B4 -25.6(2) . . . . ?
B2 B5 B7 B6 107.0(2) . . . . ?
B2 B5 B7 B9 81.4(3) . . . . ?
B2 B5 B7 B10 15.0(3) . . . . ?
B2 C14 P2 C15 51.0(3) . . . . ?
B2 C14 P2 C21 -63.3(3) . . . . ?
B2 C14 P2 Cs1 159.3(2) . . . 3_766 ?
B2 C14 P2 O1 173.4(2) . . . . ?
B3 B2 B4 B1 -85.47(19) . . . . ?
B3 B2 B4 B5 48.61(17) . . . . ?
B3 B2 B4 B7 24.5(2) . . . . ?
B3 B2 B4 B10 -44.1(3) . . . . ?
B3 B2 B5 B4 -122.19(19) . . . . ?
B3 B2 B5 B6 -27.4(2) . . . . ?
B3 B2 B5 B7 -96.7(2) . . . . ?
B3 B2 C14 B1 124.2(2) . . . . ?
B3 B2 C14 P2 -113.5(2) . . . . ?
B3 B5 B6 B7 -134.7(2) . . . . ?
B3 B5 B6 B8 -40.4(2) . . . . ?
B3 B5 B6 B9 -110.1(2) . . . . ?
B3 B5 B7 B4 -92.2(2) . . . . ?
B3 B5 B7 B6 40.41(18) . . . . ?
B3 B5 B7 B9 14.9(3) . . . . ?
B3 B5 B7 B10 -51.6(2) . . . . ?
B3 B6 B7 B4 1.6(2) . . . . ?
B3 B6 B7 B5 -40.59(19) . . . . ?
B3 B6 B7 B9 112.8(2) . . . . ?
B3 B6 B7 B10 63.4(2) . . . . ?
B3 B6 B8 B9 -141.91(19) . . . . ?
B3 B6 B8 C13 -112.1(2) . . . . ?
B3 B6 B8 Cs1 77.2(4) . . . 3_766 ?
B3 B6 B8 Cs1 146.41(14) . . . . ?
B3 B6 B9 B7 -93.1(2) . . . . ?
B3 B6 B9 B8 39.7(2) . . . . ?
B3 B6 B9 B10 -44.0(2) . . . . ?
B3 B6 B9 C13 12.0(3) . . . . ?
B3 B6 B9 Cs1 106.50(18) . . . . ?
B3 B8 B9 B6 -33.26(17) . . . . ?
B3 B8 B9 B7 8.0(2) . . . . ?
B3 B8 B9 B10 68.5(2) . . . . ?
B3 B8 B9 C13 111.8(2) . . . . ?
B3 B8 B9 Cs1 -139.17(16) . . . . ?
B3 B8 C13 B9 -93.4(2) . . . . ?
B3 B8 C13 B10 -34.7(3) . . . . ?
B3 B8 C13 P1 154.74(17) . . . . ?
B3 C14 P2 C15 -37.7(2) . . . . ?
B3 C14 P2 C21 -152.09(19) . . . . ?
B3 C14 P2 Cs1 70.54(19) . . . 3_766 ?
B3 C14 P2 O1 84.6(2) . . . . ?
B4 B1 B2 B3 100.52(18) . . . . ?
B4 B1 B2 B5 40.21(18) . . . . ?
B4 B1 B2 C14 143.5(2) . . . . ?
B4 B1 C14 B2 -32.8(2) . . . . ?
B4 B1 C14 B3 24.8(3) . . . . ?
B4 B1 C14 P2 -159.87(18) . . . . ?
B4 B2 B3 B5 -48.37(17) . . . . ?
B4 B2 B3 B6 -22.9(2) . . . . ?
B4 B2 B3 B8 38.1(3) . . . . ?
B4 B2 B3 C14 98.3(2) . . . . ?
B4 B2 B5 B3 122.19(19) . . . . ?
B4 B2 B5 B6 94.8(2) . . . . ?
B4 B2 B5 B7 25.5(2) . . . . ?
B4 B2 C14 B1 30.83(19) . . . . ?
B4 B2 C14 B3 -93.3(2) . . . . ?
B4 B2 C14 P2 153.14(19) . . . . ?
B4 B5 B6 B3 92.8(2) . . . . ?
B4 B5 B6 B7 -41.87(18) . . . . ?
B4 B5 B6 B8 52.4(3) . . . . ?
B4 B5 B6 B9 -17.2(3) . . . . ?
B4 B5 B7 B6 132.6(2) . . . . ?
B4 B5 B7 B9 107.0(2) . . . . ?
B4 B5 B7 B10 40.61(18) . . . . ?
B4 B7 B9 B6 94.3(2) . . . . ?
B4 B7 B9 B8 54.4(3) . . . . ?
B4 B7 B9 B10 -27.83(19) . . . . ?
B4 B7 B9 C13 -0.1(3) . . . . ?
B4 B7 B9 Cs1 133.7(2) . . . . ?
B4 B7 B10 B1 31.61(16) . . . . ?
B4 B7 B10 B9 151.1(2) . . . . ?
B4 B7 B10 C13 124.0(2) . . . . ?
B4 B10 C13 B8 29.2(3) . . . . ?
B4 B10 C13 B9 88.6(3) . . . . ?
B4 B10 C13 P1 -160.80(19) . . . . ?
B5 B2 B3 B6 25.43(19) . . . . ?
B5 B2 B3 B8 86.4(2) . . . . ?
B5 B2 B3 C14 146.7(2) . . . . ?
B5 B2 B4 B1 -134.1(2) . . . . ?
B5 B2 B4 B7 -24.07(19) . . . . ?
B5 B2 B4 B10 -92.7(2) . . . . ?
B5 B2 C14 B1 93.6(2) . . . . ?
B5 B2 C14 B3 -30.52(19) . . . . ?
B5 B2 C14 P2 -144.1(2) . . . . ?
B5 B3 B6 B7 39.20(18) . . . . ?
B5 B3 B6 B8 140.5(2) . . . . ?
B5 B3 B6 B9 102.2(2) . . . . ?
B5 B3 C14 B1 -29.9(3) . . . . ?
B5 B3 C14 B2 28.58(18) . . . . ?
B5 B3 C14 P2 154.48(17) . . . . ?
B5 B4 B7 B6 -41.56(18) . . . . ?
B5 B4 B7 B9 -105.9(2) . . . . ?
B5 B4 B7 B10 -134.21(19) . . . . ?
B5 B4 B10 B1 -101.6(2) . . . . ?
B5 B4 B10 B7 39.33(17) . . . . ?
B5 B4 B10 B9 14.1(2) . . . . ?
B5 B4 B10 C13 -45.8(3) . . . . ?
B5 B6 B7 B4 42.20(18) . . . . ?
B5 B6 B7 B9 153.3(2) . . . . ?
B5 B6 B7 B10 104.0(2) . . . . ?
B5 B6 B8 B3 38.35(19) . . . . ?
B5 B6 B8 B9 -103.6(2) . . . . ?
B5 B6 B8 C13 -73.7(3) . . . . ?
B5 B6 B8 Cs1 -175.25(16) . . . . ?
B5 B6 B8 Cs1 115.5(3) . . . 3_766 ?
B5 B6 B9 B7 -24.52(19) . . . . ?
B5 B6 B9 B8 108.2(2) . . . . ?
B5 B6 B9 B10 24.6(2) . . . . ?
B5 B6 B9 C13 80.6(2) . . . . ?
B5 B6 B9 Cs1 175.06(16) . . . . ?
B5 B7 B9 B6 25.4(2) . . . . ?
B5 B7 B9 B8 -14.4(3) . . . . ?
B5 B7 B9 B10 -96.6(2) . . . . ?
B5 B7 B9 C13 -68.9(3) . . . . ?
B5 B7 B9 Cs1 64.9(4) . . . . ?
B5 B7 B10 B1 -9.5(2) . . . . ?
B5 B7 B10 B4 -41.11(18) . . . . ?
B5 B7 B10 B9 110.0(2) . . . . ?
B5 B7 B10 C13 82.9(2) . . . . ?
B6 B3 B5 B2 -151.6(2) . . . . ?
B6 B3 B5 B4 -102.9(2) . . . . ?
B6 B3 B5 B7 -40.86(19) . . . . ?
B6 B3 C14 B1 31.3(3) . . . . ?
B6 B3 C14 B2 89.8(3) . . . . ?
B6 B3 C14 P2 -144.3(2) . . . . ?
B6 B5 B7 B4 -132.6(2) . . . . ?
B6 B5 B7 B9 -25.5(2) . . . . ?
B6 B5 B7 B10 -92.0(2) . . . . ?
B6 B7 B9 B8 -39.83(17) . . . . ?
B6 B7 B9 B10 -122.08(18) . . . . ?
B6 B7 B9 C13 -94.3(2) . . . . ?
B6 B7 B9 Cs1 39.4(3) . . . . ?
B6 B7 B10 B1 -71.1(2) . . . . ?
B6 B7 B10 B4 -102.67(19) . . . . ?
B6 B7 B10 B9 48.42(17) . . . . ?
B6 B7 B10 C13 21.3(2) . . . . ?
B6 B8 B9 B7 41.25(18) . . . . ?
B6 B8 B9 B10 101.81(18) . . . . ?
B6 B8 B9 C13 145.1(2) . . . . ?
B6 B8 B9 Cs1 -105.91(14) . . . . ?
B6 B8 C13 B9 -31.01(19) . . . . ?
B6 B8 C13 B10 27.6(3) . . . . ?
B6 B8 C13 P1 -142.89(18) . . . . ?
B6 B9 B10 B1 36.2(3) . . . . ?
B6 B9 B10 B4 -22.9(2) . . . . ?
B6 B9 B10 B7 -48.58(17) . . . . ?
B6 B9 B10 C13 98.89(19) . . . . ?
B6 B9 C13 B8 29.81(19) . . . . ?
B6 B9 C13 B10 -93.2(2) . . . . ?
B6 B9 C13 P1 146.16(17) . . . . ?
B7 B4 B5 B2 153.6(2) . . . . ?
B7 B4 B5 B3 104.3(2) . . . . ?
B7 B4 B5 B6 42.32(18) . . . . ?
B7 B4 B10 B1 -140.97(19) . . . . ?
B7 B4 B10 B9 -25.27(17) . . . . ?
B7 B4 B10 C13 -85.1(3) . . . . ?
B7 B5 B6 B3 134.7(2) . . . . ?
B7 B5 B6 B8 94.3(2) . . . . ?
B7 B5 B6 B9 24.62(19) . . . . ?
B7 B6 B8 B3 100.9(2) . . . . ?
B7 B6 B8 B9 -41.00(18) . . . . ?
B7 B6 B8 C13 -11.2(3) . . . . ?
B7 B6 B8 Cs1 -112.68(16) . . . . ?
B7 B6 B8 Cs1 178.1(3) . . . 3_766 ?
B7 B6 B9 B8 132.8(2) . . . . ?
B7 B6 B9 B10 49.12(17) . . . . ?
B7 B6 B9 C13 105.1(2) . . . . ?
B7 B6 B9 Cs1 -160.42(15) . . . . ?
B7 B9 B10 B1 84.8(2) . . . . ?
B7 B9 B10 B4 25.68(18) . . . . ?
B7 B9 B10 C13 147.5(2) . . . . ?
B7 B9 C13 B8 92.9(2) . . . . ?
B7 B9 C13 B10 -30.06(19) . . . . ?
B7 B9 C13 P1 -150.74(17) . . . . ?
B7 B10 C13 B8 -31.8(3) . . . . ?
B7 B10 C13 B9 27.68(18) . . . . ?
B7 B10 C13 P1 138.30(19) . . . . ?
B8 B3 B5 B2 -119.0(2) . . . . ?
B8 B3 B5 B4 -70.3(2) . . . . ?
B8 B3 B5 B6 32.67(17) . . . . ?
B8 B3 B5 B7 -8.2(2) . . . . ?
B8 B3 B6 B5 -140.5(2) . . . . ?
B8 B3 B6 B7 -101.3(2) . . . . ?
B8 B3 B6 B9 -38.26(19) . . . . ?
B8 B3 C14 B1 73.8(2) . . . . ?
B8 B3 C14 B2 132.29(17) . . . . ?
B8 B3 C14 P2 -101.81(18) . . . . ?
B8 B6 B7 B4 -68.2(2) . . . . ?
B8 B6 B7 B5 -110.4(2) . . . . ?
B8 B6 B7 B9 42.95(18) . . . . ?
B8 B6 B7 B10 -6.4(2) . . . . ?
B8 B6 B9 B7 -132.8(2) . . . . ?
B8 B6 B9 B10 -83.64(18) . . . . ?
B8 B6 B9 C13 -27.67(17) . . . . ?
B8 B6 B9 Cs1 66.82(13) . . . . ?
B8 B9 B10 B1 -21.1(2) . . . . ?
B8 B9 B10 B4 -80.2(2) . . . . ?
B8 B9 B10 B7 -105.89(18) . . . . ?
B8 B9 B10 C13 41.58(16) . . . . ?
B8 B9 C13 B10 -123.0(2) . . . . ?
B8 B9 C13 P1 116.3(2) . . . . ?
B8 C13 P1 C1 -116.1(2) . . . . ?
B8 C13 P1 C7 129.5(2) . . . . ?
B8 C13 P1 Cs1 -31.10(19) . . . 3_766 ?
B8 C13 P1 Cs1 37.39(19) . . . . ?
B8 C13 P1 O2 6.8(2) . . . . ?
B9 B6 B7 B4 -111.2(2) . . . . ?
B9 B6 B7 B5 -153.3(2) . . . . ?
B9 B6 B7 B10 -49.40(17) . . . . ?
B9 B6 B8 B3 141.91(19) . . . . ?
B9 B6 B8 C13 29.83(19) . . . . ?
B9 B6 B8 Cs1 -71.68(13) . . . . ?
B9 B6 B8 Cs1 -140.9(4) . . . 3_766 ?
B9 B7 B10 B1 -119.47(19) . . . . ?
B9 B7 B10 B4 -151.1(2) . . . . ?
B9 B7 B10 C13 -27.08(17) . . . . ?
B9 B8 C13 B10 58.7(2) . . . . ?
B9 B8 C13 P1 -111.9(2) . . . . ?
B9 B10 C13 B8 -59.4(2) . . . . ?
B9 B10 C13 P1 110.6(2) . . . . ?
B9 C13 P1 C1 159.40(17) . . . . ?
B9 C13 P1 C7 45.1(2) . . . . ?
B9 C13 P1 Cs1 -115.57(18) . . . 3_766 ?
B9 C13 P1 Cs1 -47.08(17) . . . . ?
B9 C13 P1 O2 -77.6(2) . . . . ?
B10 B1 B2 B3 66.11(19) . . . . ?
B10 B1 B2 B4 -34.42(17) . . . . ?
B10 B1 B2 B5 5.8(2) . . . . ?
B10 B1 B2 C14 109.1(2) . . . . ?
B10 B1 B4 B2 140.61(19) . . . . ?
B10 B1 B4 B5 100.9(2) . . . . ?
B10 B1 B4 B7 38.58(19) . . . . ?
B10 B1 C14 B2 -95.0(2) . . . . ?
B10 B1 C14 B3 -37.4(3) . . . . ?
B10 B1 C14 P2 137.89(19) . . . . ?
B10 B4 B5 B2 112.5(2) . . . . ?
B10 B4 B5 B3 63.3(2) . . . . ?
B10 B4 B5 B6 1.2(2) . . . . ?
B10 B4 B5 B7 -41.07(18) . . . . ?
B10 B4 B7 B5 134.21(19) . . . . ?
B10 B4 B7 B6 92.7(2) . . . . ?
B10 B4 B7 B9 28.32(19) . . . . ?
B10 B7 B9 B6 122.08(18) . . . . ?
B10 B7 B9 B8 82.25(18) . . . . ?
B10 B7 B9 C13 27.77(18) . . . . ?
B10 B7 B9 Cs1 161.5(3) . . . . ?
B10 B9 C13 B8 123.0(2) . . . . ?
B10 B9 C13 P1 -120.7(2) . . . . ?
B10 C13 P1 C1 74.7(2) . . . . ?
B10 C13 P1 C7 -39.7(2) . . . . ?
B10 C13 P1 Cs1 159.7(2) . . . 3_766 ?
B10 C13 P1 Cs1 -131.8(2) . . . . ?
B10 C13 P1 O2 -162.4(2) . . . . ?
C1 C2 C3 C4 2.2(5) . . . . ?
C2 C1 C6 C5 -0.6(4) . . . . ?
C2 C1 P1 C7 159.9(2) . . . . ?
C2 C1 P1 C13 40.8(2) . . . . ?
C2 C1 P1 Cs1 -44.8(2) . . . 3_766 ?
C2 C1 P1 Cs1 -72.3(3) . . . . ?
C2 C1 P1 O2 -83.4(2) . . . . ?
C2 C3 C4 C5 -1.2(5) . . . . ?
C3 C4 C5 C6 -0.6(5) . . . . ?
C4 C5 C6 C1 1.5(4) . . . . ?
C6 C1 C2 C3 -1.3(4) . . . . ?
C6 C1 C2 Cs1 -129.0(2) . . . 3_766 ?
C6 C1 P1 C7 -26.3(2) . . . . ?
C6 C1 P1 C13 -145.4(2) . . . . ?
C6 C1 P1 Cs1 128.9(2) . . . 3_766 ?
C6 C1 P1 Cs1 101.5(2) . . . . ?
C6 C1 P1 O2 90.3(2) . . . . ?
C7 C8 C9 C10 1.6(5) . . . . ?
C8 C7 C12 C11 0.2(4) . . . . ?
C8 C7 P1 C1 126.7(2) . . . . ?
C8 C7 P1 C13 -114.0(2) . . . . ?
C8 C7 P1 Cs1 17.4(4) . . . 3_766 ?
C8 C7 P1 Cs1 -30.9(2) . . . . ?
C8 C7 P1 O2 10.0(3) . . . . ?
C8 C9 C10 C11 -1.8(5) . . . . ?
C9 C10 C11 C12 1.2(5) . . . . ?
C10 C11 C12 C7 -0.4(5) . . . . ?
C12 C7 C8 C9 -0.8(4) . . . . ?
C12 C7 P1 C1 -51.0(3) . . . . ?
C12 C7 P1 C13 68.3(3) . . . . ?
C12 C7 P1 Cs1 151.4(2) . . . . ?
C12 C7 P1 Cs1 -160.26(16) . . . 3_766 ?
C12 C7 P1 O2 -167.7(2) . . . . ?
C13 B8 B9 B6 -145.1(2) . . . . ?
C13 B8 B9 B7 -103.9(2) . . . . ?
C13 B8 B9 B10 -43.30(16) . . . . ?
C13 B8 B9 Cs1 108.98(15) . . . . ?
C13 B9 B10 B1 -62.7(2) . . . . ?
C13 B9 B10 B4 -121.8(2) . . . . ?
C13 B9 B10 B7 -147.5(2) . . . . ?
C14 B1 B2 B3 -43.03(16) . . . . ?
C14 B1 B2 B4 -143.5(2) . . . . ?
C14 B1 B2 B5 -103.3(2) . . . . ?
C14 B1 B4 B2 31.04(19) . . . . ?
C14 B1 B4 B5 -8.7(3) . . . . ?
C14 B1 B4 B7 -71.0(3) . . . . ?
C14 B1 B4 B10 -109.6(2) . . . . ?
C14 B2 B3 B5 -146.7(2) . . . . ?
C14 B2 B3 B6 -121.3(2) . . . . ?
C14 B2 B3 B8 -60.3(2) . . . . ?
C14 B2 B4 B1 -28.89(18) . . . . ?
C14 B2 B4 B5 105.2(2) . . . . ?
C14 B2 B4 B7 81.1(2) . . . . ?
C14 B2 B4 B10 12.5(3) . . . . ?
C14 B2 B5 B3 28.62(18) . . . . ?
C14 B2 B5 B4 -93.6(2) . . . . ?
C14 B2 B5 B6 1.2(3) . . . . ?
C14 B2 B5 B7 -68.1(3) . . . . ?
C14 B3 B5 B2 -27.62(18) . . . . ?
C14 B3 B5 B4 21.1(2) . . . . ?
C14 B3 B5 B6 124.0(2) . . . . ?
C14 B3 B5 B7 83.1(2) . . . . ?
C14 B3 B6 B5 -85.4(3) . . . . ?
C14 B3 B6 B7 -46.2(3) . . . . ?
C14 B3 B6 B8 55.1(2) . . . . ?
C14 B3 B6 B9 16.8(3) . . . . ?
C15 C16 C17 C18 0.5(4) . . . . ?
C16 C15 C20 C19 0.6(4) . . . . ?
C16 C15 P2 C14 -55.1(3) . . . . ?
C16 C15 P2 C21 60.5(3) . . . . ?
C16 C15 P2 Cs1 -153.8(2) . . . 3_766 ?
C16 C15 P2 O1 178.6(2) . . . . ?
C16 C17 C18 C19 0.1(4) . . . . ?
C17 C18 C19 C20 -0.3(4) . . . . ?
C18 C19 C20 C15 -0.1(4) . . . . ?
C20 C15 C16 C17 -0.8(4) . . . . ?
C20 C15 P2 C14 122.9(2) . . . . ?
C20 C15 P2 C21 -121.5(2) . . . . ?
C20 C15 P2 Cs1 24.2(2) . . . 3_766 ?
C20 C15 P2 O1 -3.4(2) . . . . ?
C21 C22 C23 C24 0.8(4) . . . . ?
C22 C21 C26 C25 -0.6(4) . . . . ?
C22 C21 P2 C14 -137.9(2) . . . . ?
C22 C21 P2 C15 105.3(2) . . . . ?
C22 C21 P2 Cs1 -26.6(3) . . . 3_766 ?
C22 C21 P2 O1 -11.7(2) . . . . ?
C22 C23 C24 C25 -0.9(4) . . . . ?
C23 C24 C25 C26 0.3(4) . . . . ?
C24 C25 C26 C21 0.5(4) . . . . ?
C26 C21 C22 C23 0.0(4) . . . . ?
C26 C21 P2 C14 41.9(2) . . . . ?
C26 C21 P2 C15 -74.9(2) . . . . ?
C26 C21 P2 Cs1 153.22(18) . . . 3_766 ?
C26 C21 P2 O1 168.1(2) . . . . ?
C27 C28 C29 C30 0.2(3) . . . . ?
C27 C28 C29 C34 178.3(3) . . . . ?
C27 C28 C29 Co1 -59.61(19) . . . . ?
C28 C27 C31 C30 -0.3(3) . . . . ?
C28 C27 C31 C36 -178.0(3) . . . . ?
C28 C27 C31 Co1 59.0(2) . . . . ?
C28 C29 C30 C31 -0.4(3) . . . . ?
C28 C29 C30 C35 178.8(3) . . . . ?
C28 C29 C30 Co1 -59.52(19) . . . . ?
C29 C30 C31 C27 0.4(3) . . . . ?
C29 C30 C31 C36 178.3(3) . . . . ?
C29 C30 C31 Co1 -58.87(19) . . . . ?
C31 C27 C28 C29 0.0(3) . . . . ?
C31 C27 C28 C33 178.7(3) . . . . ?
C31 C27 C28 Co1 -59.3(2) . . . . ?
C32 C27 C28 C29 -178.0(3) . . . . ?
C32 C27 C28 C33 0.6(5) . . . . ?
C32 C27 C28 Co1 122.6(3) . . . . ?
C32 C27 C31 C30 177.8(3) . . . . ?
C32 C27 C31 C36 0.1(5) . . . . ?
C32 C27 C31 Co1 -122.9(3) . . . . ?
C33 C28 C29 C30 -178.4(3) . . . . ?
C33 C28 C29 C34 -0.3(5) . . . . ?
C33 C28 C29 Co1 121.8(3) . . . . ?
C34 C29 C30 C31 -178.4(3) . . . . ?
C34 C29 C30 C35 0.8(5) . . . . ?
C34 C29 C30 Co1 122.5(3) . . . . ?
C35 C30 C31 C27 -178.8(3) . . . . ?
C35 C30 C31 C36 -0.9(5) . . . . ?
C35 C30 C31 Co1 121.9(3) . . . . ?
C37 C38 C39 C40 0.1(3) . . . . ?
C37 C38 C39 C44 178.4(3) . . . . ?
C37 C38 C39 Co1 -59.28(18) . . . . ?
C38 C37 C41 C40 0.3(3) . . . . ?
C38 C37 C41 C46 -178.3(3) . . . . ?
C38 C37 C41 Co1 58.67(18) . . . . ?
C38 C39 C40 C41 0.0(3) . . . . ?
C38 C39 C40 C45 177.9(3) . . . . ?
C38 C39 C40 Co1 -59.75(18) . . . . ?
C39 C40 C41 C37 -0.2(3) . . . . ?
C39 C40 C41 C46 178.3(3) . . . . ?
C39 C40 C41 Co1 -59.18(18) . . . . ?
C41 C37 C38 C39 -0.2(3) . . . . ?
C41 C37 C38 C43 178.8(2) . . . . ?
C41 C37 C38 Co1 -59.18(18) . . . . ?
C42 C37 C38 C39 -177.4(3) . . . . ?
C42 C37 C38 C43 1.6(4) . . . . ?
C42 C37 C38 Co1 123.6(3) . . . . ?
C42 C37 C41 C40 177.4(3) . . . . ?
C42 C37 C41 C46 -1.1(4) . . . . ?
C42 C37 C41 Co1 -124.2(3) . . . . ?
C43 C38 C39 C40 -178.9(2) . . . . ?
C43 C38 C39 C44 -0.7(4) . . . . ?
C43 C38 C39 Co1 121.7(3) . . . . ?
C44 C39 C40 C41 -178.3(3) . . . . ?
C44 C39 C40 C45 -0.4(5) . . . . ?
C44 C39 C40 Co1 122.0(3) . . . . ?
C45 C40 C41 C37 -178.1(3) . . . . ?
C45 C40 C41 C46 0.4(5) . . . . ?
C45 C40 C41 Co1 122.9(3) . . . . ?
Co1 C27 C28 C29 59.35(19) . . . . ?
Co1 C27 C28 C33 -122.0(3) . . . . ?
Co1 C27 C31 C30 -59.3(2) . . . . ?
Co1 C27 C31 C36 123.0(3) . . . . ?
Co1 C28 C29 C30 59.83(19) . . . . ?
Co1 C28 C29 C34 -122.1(3) . . . . ?
Co1 C29 C30 C31 59.13(19) . . . . ?
Co1 C29 C30 C35 -121.6(3) . . . . ?
Co1 C30 C31 C27 59.3(2) . . . . ?
Co1 C30 C31 C36 -122.9(3) . . . . ?
Co1 C37 C38 C39 58.93(18) . . . . ?
Co1 C37 C38 C43 -122.0(3) . . . . ?
Co1 C37 C41 C40 -58.42(19) . . . . ?
Co1 C37 C41 C46 123.1(3) . . . . ?
Co1 C38 C39 C40 59.42(18) . . . . ?
Co1 C38 C39 C44 -122.3(3) . . . . ?
Co1 C39 C40 C41 59.77(18) . . . . ?
Co1 C39 C40 C45 -122.4(3) . . . . ?
Co1 C40 C41 C37 59.02(18) . . . . ?
Co1 C40 C41 C46 -122.5(3) . . . . ?
Cs1 B8 B9 B6 105.91(14) . . . . ?
Cs1 B8 B9 B6 156.3(2) 3_766 . . . ?
Cs1 B8 B9 B7 147.16(16) . . . . ?
Cs1 B8 B9 B7 -162.42(18) 3_766 . . . ?
Cs1 B8 B9 B10 -101.9(2) 3_766 . . . ?
Cs1 B8 B9 B10 -152.28(14) . . . . ?
Cs1 B8 B9 C13 -108.98(15) . . . . ?
Cs1 B8 B9 C13 -58.6(2) 3_766 . . . ?
Cs1 B8 B9 Cs1 50.42(19) 3_766 . . . ?
Cs1 B8 C13 B9 145.04(15) 3_766 . . . ?
Cs1 B8 C13 B9 69.49(14) . . . . ?
Cs1 B8 C13 B10 -156.30(16) 3_766 . . . ?
Cs1 B8 C13 B10 128.16(17) . . . . ?
Cs1 B8 C13 P1 -42.38(19) . . . . ?
Cs1 B8 C13 P1 33.16(19) 3_766 . . . ?
Cs1 B9 B10 B1 -77.1(3) . . . . ?
Cs1 B9 B10 B4 -136.1(2) . . . . ?
Cs1 B9 B10 B7 -161.8(3) . . . . ?
Cs1 B9 B10 C13 -14.4(3) . . . . ?
Cs1 B9 C13 B8 -64.68(14) . . . . ?
Cs1 B9 C13 B10 172.35(14) . . . . ?
Cs1 B9 C13 P1 51.67(16) . . . . ?
Cs1 C2 C3 C4 116.8(3) 3_766 . . . ?
Cs1 O1 P2 C14 -33.2(2) 3_766 . . . ?
Cs1 O1 P2 C15 89.70(17) 3_766 . . . ?
Cs1 O1 P2 C21 -155.13(14) 3_766 . . . ?
Cs1 O2 P1 C1 172.12(10) . . . . ?
Cs1 O2 P1 C1 62.68(13) 3_766 . . . ?
Cs1 O2 P1 C7 -75.26(13) . . . . ?
Cs1 O2 P1 C7 175.30(10) 3_766 . . . ?
Cs1 O2 P1 C13 -61.18(13) 3_766 . . . ?
Cs1 O2 P1 C13 48.26(14) . . . . ?
Cs1 O2 P1 Cs1 -109.44(12) 3_766 . . . ?
Cs1 O2 P1 Cs1 109.44(12) . . . 3_766 ?
P1 C1 C2 C3 172.7(2) . . . . ?
P1 C1 C2 Cs1 45.01(19) . . . 3_766 ?
P1 C1 C6 C5 -174.4(2) . . . . ?
P1 C7 C8 C9 -178.6(2) . . . . ?
P1 C7 C12 C11 177.9(2) . . . . ?
P2 C15 C16 C17 177.2(2) . . . . ?
P2 C15 C20 C19 -177.5(2) . . . . ?
P2 C21 C22 C23 179.8(2) . . . . ?
P2 C21 C26 C25 179.6(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mk1192_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2071517'
loop_
_audit_author_name
_audit_author_address
'Guang Wu'
;UC Santa Barbara
United States of America
;
_audit_update_record             
;
2021-11-24 deposited with the CCDC.	2022-02-21 downloaded from the CCDC.
;
_audit_creation_date             2021-10-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.5(C8 H20 O2), 0.5(C40 H44 Co2 O2), C156 H180 B60 O12 P12 Th2, 3(C20 H30 Co), 3(C4 H6 N2), 0.5(C4 N2)'
_chemical_formula_sum            'C254 H332 B60 Co4 N7 O14 P12 Th2'
_chemical_formula_weight         5427.29
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Th Th -7.2400 8.8979 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   70.509(6)
_cell_length_b                   17.5517(16)
_cell_length_c                   23.4008(19)
_cell_angle_alpha                90
_cell_angle_beta                 108.146(4)
_cell_angle_gamma                90
_cell_volume                     27519(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9971
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      26.27
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   0.813
_shelx_estimated_absorpt_T_min   0.715
_exptl_absorpt_coefficient_mu    1.440
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6419
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0631 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.8611.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             11140
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_unetI/netI     0.0745
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       88
_diffrn_reflns_limit_h_min       -88
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            77701
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.658
_diffrn_reflns_theta_min         0.608
_diffrn_ambient_temperature      109.97
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21388
_reflns_number_total             28546
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL n/a (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         3.010
_refine_diff_density_min         -3.375
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1550
_refine_ls_number_reflns         28546
_refine_ls_number_restraints     134
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0493
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0646P)²+107.2398P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1232
_refine_ls_wR_factor_ref         0.1360
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N1-C107 \\sim N2-C105 \\sim N4-C162 \\sim N5-C142
 with sigma of 0.01
 C107-C108 \\sim C161-C162 \\sim C105-C106 \\sim C142-C143
 with sigma of 0.01
 C111-Co3 \\sim C112-Co3 \\sim C113-Co3 \\sim C114-Co3 \\sim C115-Co3
 with sigma of 0.01
 C111-C112 \\sim C112-C113 \\sim C113-C114 \\sim C114-C115 \\sim C115-C111
 with sigma of 0.01
 C111-C113 \\sim C112-C114 \\sim C113-C115 \\sim C114-C111 \\sim C115-C112
\\sim C131-C133
 with sigma of 0.01
 C111-C116 \\sim C131-C134 \\sim C132-C135 \\sim C133-C136
 with sigma of 0.01
 C111-C116 \\sim C112-C117 \\sim C113-C118 \\sim C114-C119 \\sim C115-C120
 with sigma of 0.01
 C116-C117 \\sim C134-C135 \\sim C135-C136
 with sigma of 0.01
 C116-C117 \\sim C117-C118 \\sim C118-C119 \\sim C119-C120 \\sim C120-C116
 with sigma of 0.01
 C181-C182 \\sim C183-C184 \\sim C191-C192 \\sim C193-C194 \\sim C131-C132
\\sim C132-C133
 with sigma of 0.01
 C182-O8 \\sim C183-O8 \\sim C192-O9 \\sim C193-O9
 with sigma of 0.01
 C181-O8 \\sim C184-O8 \\sim C191-O9 \\sim C194-O9
 with sigma of 0.01
 C182-C183 \\sim C192-C193
 with sigma of 0.01
3. Restrained planarity
 C111, C112, C113, C114, C115, C116, C117, C118, C119, C120
 with sigma of 0.1
 C131, C132, C134, C135, C133, C136
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uiso(C131) = Uiso(C132) = Uiso(C133) = Uiso(C134) = Uiso(C135) = Uiso(C136)
5. Others
 Fixed Sof: O8(0.5) C181(0.5) H18B(0.5) H18C(0.5) H18D(0.5) C182(0.5)
 H18E(0.5) H18F(0.5) C183(0.5) H18G(0.5) H18H(0.5) C184(0.5) H18I(0.5)
 H18J(0.5) H18K(0.5) C111(0.5) C112(0.5) C113(0.5) C114(0.5) C115(0.5)
 C116(0.5) H11B(0.5) H11C(0.5) H11D(0.5) C117(0.5) H11E(0.5) H11F(0.5)
 H11G(0.5) C118(0.5) C119(0.5) H11H(0.5) H11I(0.5) H11J(0.5) C120(0.5)
 H12B(0.5) H12C(0.5) H12D(0.5) C161(0.5) C162(0.5) C193(0.5) H19A(0.5)
 H19B(0.5) C194(0.5) H19C(0.5) H19D(0.5) H19E(0.5) O9(0.5) C192(0.5) H19F(0.5)
 H19G(0.5) C191(0.5) H19H(0.5) H19I(0.5) H19J(0.5) Co3(0.5) C131(0.5) C132(0.5)
 C134(0.5) C135(0.5)
 Fixed Uiso: C131(0.1) C132(0.1) C133(0.1) C134(0.1) C135(0.1) C136(0.1)
6.a Secondary CH2 refined with riding coordinates:
 C182(H18E,H18F), C183(H18G,H18H), C193(H19A,H19B), C192(H19F,H19G)
6.b Aromatic/amide H refined with riding coordinates:
 C7(H7A), C9(H9A), C10(H10A), C11(H11A), C12(H12A), C14(H14A), C15(H15A),
 C16(H16A), C17(H17A), C18(H18A), C20(H20A), C21(H21A), C22(H22A), C23(H23A),
 C24(H24A), C26(H26A), C27(H27A), C28(H28A), C29(H29A), C30(H30A), C030(H030),
 C32(H32), C33(H33), C34(H34), C034(H034), C35(H35), C36(H36), C38(H38),
 C39(H39), C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
  C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60), C62(H62), C63(H63), C64(H64), C65(H65),
  C66(H66), C68(H68), C69(H69), C70(H70), C71(H71), C72(H72), C02D(H02D),
 C01N(H01N), C02X(H02X)
6.c Idealised Me refined as rotating group:
 C181(H18B,H18C,H18D), C184(H18I,H18J,H18K), C116(H11B,H11C,H11D), C117(H11E,
 H11F,H11G), C119(H11H,H11I,H11J), C120(H12B,H12C,H12D), C78(H78A,H78B,H78C),
 C79(H79A,H79B,H79C), C80(H80A,H80B,H80C), C81(H81A,H81B,H81C), C82(H82A,H82B,
 H82C), C88(H88A,H88B,H88C), C89(H89A,H89B,H89C), C98(H98A,H98B,H98C), C99(H99A,
 H99B,H99C), C100(H10B,H10C,H10D), C101(H10E,H10F,H10G), C102(H10H,H10I,H10J),
 C106(H10K,H10L,H10M), C143(H14K,H14L,H14M), C146(H14B,H14C,H14D), C148(H14E,
 H14F,H14G), C149(H14H,H14I,H14J), C194(H19C,H19D,H19E), C191(H19H,H19I,H19J),
 C108(H10N,H10O,H10P)
6.d Boron cage BH refined with riding coordinates:
 B1(H1), B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9),
 B10(H10), B11(H11), B12(H12), B13(H13), B14(H14), B15(H15), B16(H16), B17(H17),
  B18(H18), B19(H19), B20(H20), B21(H21), B22(H22), B23(H23), B24(H24),
 B25(H25), B26(H26), B27(H27), B28(H28), B29(H29), B30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
O8 O 0.46202(14) 0.7209(6) 0.5427(5) 0.066(3) Uiso 0.5 1 d D . P A 1
C181 C 0.4904(2) 0.6895(11) 0.5077(8) 0.075(5) Uiso 0.5 1 d D . P A 1
H18B H 0.4899 0.6421 0.4852 0.112 Uiso 0.5 1 calc R U P A 1
H18C H 0.5044 0.7032 0.5281 0.112 Uiso 0.5 1 calc R U P A 1
H18D H 0.4840 0.7304 0.4799 0.112 Uiso 0.5 1 calc R U P A 1
C182 C 0.4795(2) 0.6786(11) 0.5543(8) 0.080(6) Uiso 0.5 1 d D . P A 1
H18E H 0.4763 0.6239 0.5558 0.096 Uiso 0.5 1 calc R U P A 1
H18F H 0.4887 0.6930 0.5943 0.096 Uiso 0.5 1 calc R U P A 1
C183 C 0.4512(2) 0.7110(10) 0.5830(8) 0.070(5) Uiso 0.5 1 d D . P A 1
H18G H 0.4602 0.7204 0.6243 0.084 Uiso 0.5 1 calc R U P A 1
H18H H 0.4467 0.6573 0.5810 0.084 Uiso 0.5 1 calc R U P A 1
C184 C 0.4331(2) 0.7627(9) 0.5714(8) 0.066(5) Uiso 0.5 1 d D . P A 1
H18I H 0.4375 0.8160 0.5768 0.099 Uiso 0.5 1 calc R U P A 1
H18J H 0.4259 0.7503 0.5998 0.099 Uiso 0.5 1 calc R U P A 1
H18K H 0.4243 0.7552 0.5302 0.099 Uiso 0.5 1 calc R U P A 1
C111 C 0.47020(12) 0.6208(6) 0.6296(4) 0.053(4) Uiso 0.5 1 d D . P B 2
C112 C 0.48682(15) 0.6470(5) 0.6135(4) 0.053(4) Uiso 0.5 1 d D . P B 2
C113 C 0.50067(15) 0.5865(6) 0.6223(4) 0.062(4) Uiso 0.5 1 d D . P B 2
C114 C 0.49265(16) 0.5233(5) 0.6445(5) 0.060(4) Uiso 0.5 1 d D . P B 2
C115 C 0.47383(13) 0.5442(5) 0.6486(5) 0.052(4) Uiso 0.5 1 d D . P B 2
C116 C 0.45198(18) 0.6671(7) 0.6269(8) 0.068(5) Uiso 0.5 1 d D . P B 2
H11B H 0.4418 0.6599 0.5877 0.103 Uiso 0.5 1 calc R U P B 2
H11C H 0.4556 0.7212 0.6325 0.103 Uiso 0.5 1 calc R U P B 2
H11D H 0.4466 0.6505 0.6588 0.103 Uiso 0.5 1 calc R U P B 2
C117 C 0.4890(2) 0.7239(7) 0.5879(8) 0.072(5) Uiso 0.5 1 d D . P B 2
H11E H 0.4868 0.7192 0.5446 0.108 Uiso 0.5 1 calc R U P B 2
H11F H 0.5025 0.7436 0.6076 0.108 Uiso 0.5 1 calc R U P B 2
H11G H 0.4792 0.7592 0.5948 0.108 Uiso 0.5 1 calc R U P B 2
C118 C 0.5203(2) 0.5885(7) 0.6087(8) 0.084(6) Uiso 0.5 1 d D . P B 2
C119 C 0.50199(19) 0.4459(6) 0.6567(8) 0.072(5) Uiso 0.5 1 d D . P B 2
H11H H 0.4954 0.4162 0.6806 0.108 Uiso 0.5 1 calc R U P B 2
H11I H 0.5162 0.4511 0.6789 0.108 Uiso 0.5 1 calc R U P B 2
H11J H 0.5004 0.4197 0.6185 0.108 Uiso 0.5 1 calc R U P B 2
C120 C 0.45964(18) 0.4936(6) 0.6667(7) 0.063(4) Uiso 0.5 1 d D . P B 2
H12B H 0.4672 0.4573 0.6972 0.094 Uiso 0.5 1 calc R U P B 2
H12C H 0.4514 0.4658 0.6315 0.094 Uiso 0.5 1 calc R U P B 2
H12D H 0.4511 0.5247 0.6835 0.094 Uiso 0.5 1 calc R U P B 2
B1 B 0.70299(8) 0.8426(3) 0.4813(3) 0.0138(11) Uani 1 1 d . . . . .
H1 H 0.6940 0.7963 0.4523 0.017 Uiso 1 1 calc R U . . .
B2 B 0.69032(8) 0.9233(3) 0.5775(3) 0.0147(11) Uani 1 1 d . . . . .
H2 H 0.6745 0.9409 0.5712 0.018 Uiso 1 1 calc R U . . .
B3 B 0.71321(8) 0.8088(3) 0.5651(3) 0.0140(11) Uani 1 1 d . . . . .
H3 H 0.7140 0.7451 0.5673 0.017 Uiso 1 1 calc R U . . .
B4 B 0.71088(8) 0.8675(3) 0.6289(3) 0.0141(11) Uani 1 1 d . . . . .
H4 H 0.7139 0.8519 0.6774 0.017 Uiso 1 1 calc R U . . .
B5 B 0.73119(8) 0.8843(3) 0.6020(3) 0.0170(12) Uani 1 1 d . . . . .
H5 H 0.7462 0.8749 0.6356 0.020 Uiso 1 1 calc R U . . .
B6 B 0.71433(8) 0.9611(3) 0.6023(3) 0.0164(12) Uani 1 1 d . . . . .
H6 H 0.7170 1.0096 0.6350 0.020 Uiso 1 1 calc R U . . .
B7 B 0.72739(8) 0.8606(3) 0.5255(3) 0.0151(11) Uani 1 1 d . . . . .
H7 H 0.7395 0.8289 0.5139 0.018 Uiso 1 1 calc R U . . .
B8 B 0.72808(8) 0.9580(3) 0.5502(3) 0.0180(12) Uani 1 1 d . . . . .
H8 H 0.7406 0.9995 0.5553 0.022 Uiso 1 1 calc R U . . .
B9 B 0.70110(8) 0.9815(3) 0.5232(3) 0.0148(11) Uani 1 1 d . . . . .
H9 H 0.6929 1.0365 0.5102 0.018 Uiso 1 1 calc R U . . .
B10 B 0.71441(8) 0.9347(3) 0.4754(3) 0.0154(12) Uani 1 1 d . . . . .
H10 H 0.7193 0.9592 0.4381 0.018 Uiso 1 1 calc R U . . .
B11 B 0.56831(8) 0.9075(3) 0.3795(2) 0.0147(11) Uani 1 1 d . . . . .
H11 H 0.5736 0.8531 0.4043 0.018 Uiso 1 1 calc R U . . .
B12 B 0.58620(8) 0.9744(3) 0.2884(2) 0.0129(11) Uani 1 1 d . . . . .
H12 H 0.6026 0.9753 0.2950 0.016 Uiso 1 1 calc R U . . .
B13 B 0.57992(8) 1.0400(3) 0.3476(2) 0.0151(12) Uani 1 1 d . . . . .
H13 H 0.5919 1.0838 0.3641 0.018 Uiso 1 1 calc R U . . .
B14 B 0.56379(8) 1.0093(3) 0.3929(3) 0.0160(12) Uani 1 1 d . . . . .
H14 H 0.5608 1.0378 0.4320 0.019 Uiso 1 1 calc R U . . .
B15 B 0.55223(8) 1.0460(3) 0.3203(3) 0.0181(12) Uani 1 1 d . . . . .
H15 H 0.5431 1.0987 0.3188 0.022 Uiso 1 1 calc R U . . .
B16 B 0.54610(8) 0.9515(3) 0.3376(3) 0.0169(12) Uani 1 1 d . . . . .
H16 H 0.5322 0.9333 0.3476 0.020 Uiso 1 1 calc R U . . .
B17 B 0.56566(8) 1.0360(3) 0.2677(2) 0.0159(12) Uani 1 1 d . . . . .
H17 H 0.5665 1.0861 0.2390 0.019 Uiso 1 1 calc R U . . .
B18 B 0.54400(8) 0.9785(3) 0.2632(3) 0.0166(12) Uani 1 1 d . . . . .
H18 H 0.5288 0.9849 0.2296 0.020 Uiso 1 1 calc R U . . .
B19 B 0.55611(8) 0.8877(3) 0.2930(2) 0.0156(12) Uani 1 1 d . . . . .
H19 H 0.5509 0.8272 0.2858 0.019 Uiso 1 1 calc R U . . .
B20 B 0.56236(8) 0.9422(3) 0.2336(3) 0.0151(12) Uani 1 1 d . . . . .
H20 H 0.5583 0.9309 0.1841 0.018 Uiso 1 1 calc R U . . .
B21 B 0.59844(8) 0.5323(3) 0.3886(3) 0.0197(12) Uani 1 1 d . . . . .
H21 H 0.5919 0.5830 0.3602 0.024 Uiso 1 1 calc R U . . .
B22 B 0.59500(9) 0.4756(3) 0.4504(3) 0.0215(13) Uani 1 1 d . . . . .
H22 H 0.5815 0.4684 0.4655 0.026 Uiso 1 1 calc R U . . .
B23 B 0.59817(9) 0.4334(4) 0.3842(3) 0.0280(15) Uani 1 1 d . . . . .
H23 H 0.5847 0.4072 0.3510 0.034 Uiso 1 1 calc R U . . .
B24 B 0.62182(9) 0.4887(3) 0.4960(3) 0.0200(13) Uani 1 1 d . . . . .
H24 H 0.6264 0.5073 0.5442 0.024 Uiso 1 1 calc R U . . .
B25 B 0.61678(8) 0.4757(3) 0.3541(3) 0.0219(13) Uani 1 1 d . . . . .
H25 H 0.6131 0.4883 0.3050 0.026 Uiso 1 1 calc R U . . .
B26 B 0.61158(10) 0.3981(4) 0.4572(4) 0.0321(17) Uani 1 1 d . . . . .
H26 H 0.6077 0.3462 0.4792 0.039 Uiso 1 1 calc R U . . .
B27 B 0.62154(10) 0.3859(4) 0.3987(4) 0.0336(17) Uani 1 1 d . . . . .
H27 H 0.6220 0.3275 0.3798 0.040 Uiso 1 1 calc R U . . .
B28 B 0.63697(9) 0.4207(4) 0.4704(3) 0.0265(15) Uani 1 1 d . . . . .
H28 H 0.6485 0.3882 0.5060 0.032 Uiso 1 1 calc R U . . .
B29 B 0.64218(9) 0.4421(3) 0.4016(3) 0.0237(14) Uani 1 1 d . . . . .
H29 H 0.6546 0.4162 0.3879 0.028 Uiso 1 1 calc R U . . .
B30 B 0.64241(8) 0.5144(3) 0.4588(3) 0.0190(12) Uani 1 1 d . . . . .
H30 H 0.6517 0.5628 0.4838 0.023 Uiso 1 1 calc R U . . .
C1 C 0.69149(6) 0.9185(3) 0.4708(2) 0.0107(9) Uani 1 1 d . . . . .
C2 C 0.69239(7) 0.8356(3) 0.5748(2) 0.0107(9) Uani 1 1 d . . . . .
C3 C 0.63512(7) 0.5301(3) 0.3903(2) 0.0173(11) Uani 1 1 d . . . . .
C4 C 0.60756(7) 0.5537(3) 0.4556(2) 0.0143(10) Uani 1 1 d . . . . .
C5 C 0.58468(7) 0.9698(3) 0.3955(2) 0.0132(10) Uani 1 1 d . . . . .
C6 C 0.57801(7) 0.8925(3) 0.2848(2) 0.0137(10) Uani 1 1 d . . . . .
C7 C 0.59193(7) 0.8569(3) 0.5355(2) 0.0164(10) Uani 1 1 d . . . . .
H7A H 0.5943 0.8176 0.5107 0.020 Uiso 1 1 calc R U . . .
C8 C 0.59489(7) 0.9327(3) 0.5230(2) 0.0140(10) Uani 1 1 d . . . . .
C9 C 0.59109(7) 0.9896(3) 0.5588(2) 0.0173(11) Uani 1 1 d . . . . .
H9A H 0.5927 1.0415 0.5498 0.021 Uiso 1 1 calc R U . . .
C10 C 0.58494(7) 0.9712(3) 0.6078(2) 0.0208(11) Uani 1 1 d . . . . .
H10A H 0.5825 1.0104 0.6326 0.025 Uiso 1 1 calc R U . . .
C11 C 0.58231(7) 0.8954(3) 0.6208(2) 0.0216(12) Uani 1 1 d . . . . .
H11A H 0.5783 0.8828 0.6549 0.026 Uiso 1 1 calc R U . . .
C12 C 0.58547(7) 0.8387(3) 0.5842(2) 0.0208(11) Uani 1 1 d . . . . .
H12A H 0.5832 0.7870 0.5922 0.025 Uiso 1 1 calc R U . . .
C13 C 0.61968(7) 1.0396(3) 0.4841(2) 0.0122(10) Uani 1 1 d . . . . .
C14 C 0.61114(7) 1.1121(3) 0.4762(2) 0.0149(10) Uani 1 1 d . . . . .
H14A H 0.5971 1.1178 0.4601 0.018 Uiso 1 1 calc R U . . .
C15 C 0.62328(8) 1.1755(3) 0.4920(2) 0.0196(11) Uani 1 1 d . . . . .
H15A H 0.6175 1.2250 0.4868 0.023 Uiso 1 1 calc R U . . .
C16 C 0.64378(8) 1.1674(3) 0.5152(2) 0.0224(12) Uani 1 1 d . . . . .
H16A H 0.6520 1.2113 0.5251 0.027 Uiso 1 1 calc R U . . .
C17 C 0.65231(7) 1.0956(3) 0.5240(2) 0.0194(11) Uani 1 1 d . . . . .
H17A H 0.6663 1.0900 0.5412 0.023 Uiso 1 1 calc R U . . .
C18 C 0.64028(7) 1.0323(3) 0.5078(2) 0.0160(10) Uani 1 1 d . . . . .
H18A H 0.6461 0.9830 0.5128 0.019 Uiso 1 1 calc R U . . .
C19 C 0.66122(7) 1.0194(3) 0.3911(2) 0.0118(10) Uani 1 1 d . . . . .
C20 C 0.64068(7) 1.0315(3) 0.3696(2) 0.0145(10) Uani 1 1 d . . . . .
H20A H 0.6318 0.9892 0.3629 0.017 Uiso 1 1 calc R U . . .
C21 C 0.63303(7) 1.1043(3) 0.3579(2) 0.0190(11) Uani 1 1 d . . . . .
H21A H 0.6190 1.1118 0.3429 0.023 Uiso 1 1 calc R U . . .
C22 C 0.64574(8) 1.1663(3) 0.3678(2) 0.0196(11) Uani 1 1 d . . . . .
H22A H 0.6405 1.2164 0.3598 0.023 Uiso 1 1 calc R U . . .
C23 C 0.66631(7) 1.1550(3) 0.3896(2) 0.0170(10) Uani 1 1 d . . . . .
H23A H 0.6751 1.1975 0.3967 0.020 Uiso 1 1 calc R U . . .
C24 C 0.67408(7) 1.0819(3) 0.4009(2) 0.0156(10) Uani 1 1 d . . . . .
H24A H 0.6881 1.0744 0.4154 0.019 Uiso 1 1 calc R U . . .
C25 C 0.67837(6) 0.8977(3) 0.3409(2) 0.0144(10) Uani 1 1 d . . . . .
C26 C 0.67659(7) 0.8230(3) 0.3215(2) 0.0174(11) Uani 1 1 d . . . . .
H26A H 0.6716 0.7859 0.3425 0.021 Uiso 1 1 calc R U . . .
C27 C 0.68591(7) 0.9512(3) 0.3098(2) 0.0183(11) Uani 1 1 d . . . . .
H27A H 0.6875 1.0027 0.3230 0.022 Uiso 1 1 calc R U . . .
C28 C 0.69116(8) 0.9300(4) 0.2596(2) 0.0271(13) Uani 1 1 d . . . . .
H28A H 0.6960 0.9673 0.2381 0.032 Uiso 1 1 calc R U . . .
C29 C 0.68941(8) 0.8555(3) 0.2408(3) 0.0263(13) Uani 1 1 d . . . . .
H29A H 0.6932 0.8412 0.2068 0.032 Uiso 1 1 calc R U . . .
C30 C 0.68203(8) 0.8011(3) 0.2715(3) 0.0264(13) Uani 1 1 d . . . . .
H30A H 0.6807 0.7495 0.2585 0.032 Uiso 1 1 calc R U . . .
C030 C 0.59929(8) 0.5804(3) 0.5910(3) 0.0262(12) Uani 1 1 d . . . . .
H030 H 0.5918 0.5399 0.5677 0.031 Uiso 1 1 calc R U . . .
C31 C 0.60559(7) 0.8400(3) 0.2240(2) 0.0148(10) Uani 1 1 d . . . . .
C32 C 0.62402(7) 0.8761(3) 0.2439(2) 0.0170(11) Uani 1 1 d . . . . .
H32 H 0.6298 0.8876 0.2854 0.020 Uiso 1 1 calc R U . . .
C33 C 0.63396(8) 0.8955(3) 0.2032(2) 0.0206(11) Uani 1 1 d . . . . .
H33 H 0.6465 0.9203 0.2168 0.025 Uiso 1 1 calc R U . . .
C34 C 0.62559(8) 0.8786(3) 0.1429(2) 0.0222(12) Uani 1 1 d . . . . .
H34 H 0.6323 0.8929 0.1151 0.027 Uiso 1 1 calc R U . . .
C034 C 0.62157(9) 0.6972(3) 0.6606(2) 0.0262(13) Uani 1 1 d . . . . .
H034 H 0.6294 0.7368 0.6843 0.031 Uiso 1 1 calc R U . . .
C35 C 0.60746(8) 0.8411(3) 0.1229(2) 0.0214(11) Uani 1 1 d . . . . .
H35 H 0.6020 0.8278 0.0817 0.026 Uiso 1 1 calc R U . . .
C36 C 0.59720(8) 0.8229(3) 0.1626(2) 0.0211(11) Uani 1 1 d . . . . .
H36 H 0.5845 0.7989 0.1485 0.025 Uiso 1 1 calc R U . . .
C37 C 0.64090(7) 0.6068(3) 0.2845(2) 0.0186(11) Uani 1 1 d . . . . .
C38 C 0.63980(8) 0.6774(3) 0.2564(2) 0.0226(12) Uani 1 1 d . . . . .
H38 H 0.6405 0.7228 0.2791 0.027 Uiso 1 1 calc R U . . .
C39 C 0.63764(8) 0.6819(3) 0.1954(3) 0.0286(13) Uani 1 1 d . . . . .
H39 H 0.6370 0.7302 0.1766 0.034 Uiso 1 1 calc R U . . .
C40 C 0.63647(9) 0.6161(3) 0.1624(3) 0.0288(13) Uani 1 1 d . . . . .
H40 H 0.6350 0.6192 0.1206 0.035 Uiso 1 1 calc R U . . .
C41 C 0.63748(8) 0.5460(3) 0.1894(3) 0.0278(13) Uani 1 1 d . . . . .
H41 H 0.6369 0.5008 0.1665 0.033 Uiso 1 1 calc R U . . .
C42 C 0.63940(8) 0.5411(3) 0.2501(2) 0.0228(12) Uani 1 1 d . . . . .
H42 H 0.6397 0.4925 0.2683 0.027 Uiso 1 1 calc R U . . .
C43 C 0.57793(7) 0.7338(3) 0.2447(2) 0.0162(11) Uani 1 1 d . . . . .
C44 C 0.58663(8) 0.6618(3) 0.2591(2) 0.0217(12) Uani 1 1 d . . . . .
H44 H 0.5996 0.6573 0.2875 0.026 Uiso 1 1 calc R U . . .
C45 C 0.57643(9) 0.5968(3) 0.2321(3) 0.0296(13) Uani 1 1 d . . . . .
H45 H 0.5823 0.5479 0.2416 0.036 Uiso 1 1 calc R U . . .
C46 C 0.55756(10) 0.6046(4) 0.1913(3) 0.0364(15) Uani 1 1 d . . . . .
H46 H 0.5504 0.5604 0.1731 0.044 Uiso 1 1 calc R U . . .
C47 C 0.54894(9) 0.6752(4) 0.1764(3) 0.0324(14) Uani 1 1 d . . . . .
H47 H 0.5360 0.6793 0.1479 0.039 Uiso 1 1 calc R U . . .
C48 C 0.55895(8) 0.7402(3) 0.2027(2) 0.0228(12) Uani 1 1 d . . . . .
H48 H 0.5530 0.7889 0.1922 0.027 Uiso 1 1 calc R U . . .
C49 C 0.67401(7) 0.5923(3) 0.3908(2) 0.0168(11) Uani 1 1 d . . . . .
C50 C 0.68590(7) 0.6386(3) 0.4361(2) 0.0195(11) Uani 1 1 d . . . . .
H50 H 0.6798 0.6737 0.4560 0.023 Uiso 1 1 calc R U . . .
C51 C 0.70658(7) 0.6341(3) 0.4525(3) 0.0218(12) Uani 1 1 d . . . . .
H51 H 0.7146 0.6659 0.4835 0.026 Uiso 1 1 calc R U . . .
C52 C 0.71547(7) 0.5831(3) 0.4237(3) 0.0253(13) Uani 1 1 d . . . . .
H52 H 0.7296 0.5806 0.4342 0.030 Uiso 1 1 calc R U . . .
C53 C 0.70374(8) 0.5356(4) 0.3796(3) 0.0300(14) Uani 1 1 d . . . . .
H53 H 0.7099 0.4997 0.3606 0.036 Uiso 1 1 calc R U . . .
C54 C 0.68324(8) 0.5401(3) 0.3632(3) 0.0264(13) Uani 1 1 d . . . . .
H54 H 0.6753 0.5072 0.3328 0.032 Uiso 1 1 calc R U . . .
C55 C 0.68068(7) 0.6867(3) 0.6121(2) 0.0124(10) Uani 1 1 d . . . . .
C56 C 0.66691(7) 0.6272(3) 0.5969(2) 0.0154(10) Uani 1 1 d . . . . .
H56 H 0.6543 0.6349 0.5674 0.018 Uiso 1 1 calc R U . . .
C57 C 0.67152(8) 0.5571(3) 0.6246(2) 0.0204(11) Uani 1 1 d . . . . .
H57 H 0.6622 0.5164 0.6137 0.024 Uiso 1 1 calc R U . . .
C58 C 0.68981(8) 0.5463(3) 0.6685(2) 0.0221(12) Uani 1 1 d . . . . .
H58 H 0.6928 0.4988 0.6888 0.027 Uiso 1 1 calc R U . . .
C59 C 0.70375(8) 0.6048(3) 0.6828(2) 0.0204(11) Uani 1 1 d . . . . .
H59 H 0.7163 0.5968 0.7123 0.024 Uiso 1 1 calc R U . . .
C60 C 0.69941(7) 0.6741(3) 0.6547(2) 0.0150(10) Uani 1 1 d . . . . .
H60 H 0.7091 0.7136 0.6641 0.018 Uiso 1 1 calc R U . . .
C61 C 0.66322(7) 0.8247(3) 0.6358(2) 0.0114(9) Uani 1 1 d . . . . .
C62 C 0.67404(7) 0.8213(3) 0.6969(2) 0.0172(10) Uani 1 1 d . . . . .
H62 H 0.6861 0.7931 0.7099 0.021 Uiso 1 1 calc R U . . .
C63 C 0.66714(8) 0.8590(3) 0.7382(2) 0.0226(12) Uani 1 1 d . . . . .
H63 H 0.6745 0.8565 0.7797 0.027 Uiso 1 1 calc R U . . .
C64 C 0.64965(8) 0.9001(3) 0.7199(2) 0.0232(12) Uani 1 1 d . . . . .
H64 H 0.6450 0.9258 0.7487 0.028 Uiso 1 1 calc R U . . .
C65 C 0.63878(8) 0.9040(3) 0.6589(2) 0.0202(11) Uani 1 1 d . . . . .
H65 H 0.6267 0.9324 0.6460 0.024 Uiso 1 1 calc R U . . .
C66 C 0.64564(7) 0.8665(3) 0.6177(2) 0.0148(10) Uani 1 1 d . . . . .
H66 H 0.6382 0.8691 0.5762 0.018 Uiso 1 1 calc R U . . .
C67 C 0.57563(7) 0.6612(3) 0.4523(2) 0.0180(11) Uani 1 1 d . . . . .
C68 C 0.56837(8) 0.6875(3) 0.3939(3) 0.0267(13) Uani 1 1 d . . . . .
H68 H 0.5773 0.6958 0.3714 0.032 Uiso 1 1 calc R U . . .
C69 C 0.54814(9) 0.7018(4) 0.3677(3) 0.0376(16) Uani 1 1 d . . . . .
H69 H 0.5432 0.7181 0.3270 0.045 Uiso 1 1 calc R U . . .
C70 C 0.53523(9) 0.6926(4) 0.4003(4) 0.0494(19) Uani 1 1 d . . . . .
H70 H 0.5214 0.7022 0.3823 0.059 Uiso 1 1 calc R U . . .
C71 C 0.54234(10) 0.6695(5) 0.4591(4) 0.062(2) Uani 1 1 d . . . . .
H71 H 0.5334 0.6642 0.4821 0.074 Uiso 1 1 calc R U . . .
C72 C 0.56251(9) 0.6538(4) 0.4855(3) 0.0399(16) Uani 1 1 d . . . . .
H72 H 0.5673 0.6379 0.5262 0.048 Uiso 1 1 calc R U . . .
C73 C 0.51600(7) 0.9020(3) 0.4981(2) 0.0203(11) Uani 1 1 d . . . . .
C74 C 0.51463(7) 0.9147(3) 0.5575(2) 0.0172(11) Uani 1 1 d . . . . .
C75 C 0.49387(7) 0.9156(3) 0.5526(2) 0.0196(11) Uani 1 1 d . . . . .
C76 C 0.48246(7) 0.9055(3) 0.4908(2) 0.0213(11) Uani 1 1 d . . . . .
C77 C 0.49627(7) 0.8967(3) 0.4570(2) 0.0201(11) Uani 1 1 d . . . . .
C78 C 0.49079(9) 0.8813(3) 0.3912(2) 0.0292(13) Uani 1 1 d . . . . .
H78A H 0.5013 0.9004 0.3759 0.044 Uiso 1 1 calc R U . . .
H78B H 0.4782 0.9070 0.3703 0.044 Uiso 1 1 calc R U . . .
H78C H 0.4892 0.8263 0.3841 0.044 Uiso 1 1 calc R U . . .
C79 C 0.46034(7) 0.8989(4) 0.4663(3) 0.0289(13) Uani 1 1 d . . . . .
H79A H 0.4563 0.8466 0.4716 0.043 Uiso 1 1 calc R U . . .
H79B H 0.4560 0.9118 0.4235 0.043 Uiso 1 1 calc R U . . .
H79C H 0.4542 0.9340 0.4879 0.043 Uiso 1 1 calc R U . . .
C80 C 0.48574(9) 0.9245(4) 0.6041(3) 0.0322(14) Uani 1 1 d . . . . .
H80A H 0.4835 0.8741 0.6188 0.048 Uiso 1 1 calc R U . . .
H80B H 0.4731 0.9524 0.5907 0.048 Uiso 1 1 calc R U . . .
H80C H 0.4953 0.9527 0.6366 0.048 Uiso 1 1 calc R U . . .
C81 C 0.53183(7) 0.9198(3) 0.6137(2) 0.0220(12) Uani 1 1 d . . . . .
H81A H 0.5276 0.9457 0.6448 0.033 Uiso 1 1 calc R U . . .
H81B H 0.5426 0.9487 0.6058 0.033 Uiso 1 1 calc R U . . .
H81C H 0.5365 0.8684 0.6274 0.033 Uiso 1 1 calc R U . . .
C82 C 0.53493(7) 0.8943(3) 0.4831(2) 0.0240(12) Uani 1 1 d . . . . .
H82A H 0.5396 0.8414 0.4894 0.036 Uiso 1 1 calc R U . . .
H82B H 0.5451 0.9281 0.5091 0.036 Uiso 1 1 calc R U . . .
H82C H 0.5326 0.9083 0.4409 0.036 Uiso 1 1 calc R U . . .
C84 C 0.75755(7) 0.3267(3) 0.6003(2) 0.0193(11) Uani 1 1 d . . . . .
C85 C 0.73492(7) 0.2359(3) 0.6107(2) 0.0167(11) Uani 1 1 d . . . . .
C86 C 0.75352(7) 0.2730(3) 0.6416(2) 0.0150(10) Uani 1 1 d . . . . .
C87 C 0.72756(8) 0.2663(3) 0.5513(2) 0.0196(11) Uani 1 1 d . . . . .
C88 C 0.73974(10) 0.3664(4) 0.4886(3) 0.0343(15) Uani 1 1 d . . . . .
H88A H 0.7455 0.3369 0.4624 0.051 Uiso 1 1 calc R U . . .
H88B H 0.7469 0.4148 0.4991 0.051 Uiso 1 1 calc R U . . .
H88C H 0.7256 0.3766 0.4675 0.051 Uiso 1 1 calc R U . . .
C89 C 0.70912(9) 0.2409(4) 0.5042(3) 0.0335(14) Uani 1 1 d . . . . .
H89A H 0.7114 0.1909 0.4890 0.050 Uiso 1 1 calc R U . . .
H89B H 0.7056 0.2778 0.4712 0.050 Uiso 1 1 calc R U . . .
H89C H 0.6982 0.2373 0.5216 0.050 Uiso 1 1 calc R U . . .
C93 C 0.70810(7) 0.4289(3) 0.5845(2) 0.0167(10) Uani 1 1 d . . . . .
C94 C 0.70423(7) 0.3768(3) 0.6260(2) 0.0180(11) Uani 1 1 d . . . . .
C95 C 0.72011(7) 0.3818(3) 0.6818(2) 0.0183(11) Uani 1 1 d . . . . .
C96 C 0.73391(7) 0.4378(3) 0.6746(2) 0.0177(11) Uani 1 1 d . . . . .
C97 C 0.72649(7) 0.4659(3) 0.6141(2) 0.0163(10) Uani 1 1 d . . . . .
C98 C 0.73606(8) 0.5273(3) 0.5877(2) 0.0232(12) Uani 1 1 d . . . . .
H98A H 0.7311 0.5772 0.5955 0.035 Uiso 1 1 calc R U . . .
H98B H 0.7327 0.5194 0.5442 0.035 Uiso 1 1 calc R U . . .
H98C H 0.7506 0.5252 0.6061 0.035 Uiso 1 1 calc R U . . .
C99 C 0.69512(8) 0.4443(3) 0.5219(2) 0.0245(12) Uani 1 1 d . . . . .
H99A H 0.6862 0.4871 0.5221 0.037 Uiso 1 1 calc R U . . .
H99B H 0.6872 0.3989 0.5058 0.037 Uiso 1 1 calc R U . . .
H99C H 0.7035 0.4571 0.4967 0.037 Uiso 1 1 calc R U . . .
C100 C 0.68589(8) 0.3280(3) 0.6147(3) 0.0285(13) Uani 1 1 d . . . . .
H10B H 0.6762 0.3539 0.6300 0.043 Uiso 1 1 calc R U . . .
H10C H 0.6895 0.2790 0.6353 0.043 Uiso 1 1 calc R U . . .
H10D H 0.6800 0.3192 0.5714 0.043 Uiso 1 1 calc R U . . .
C101 C 0.72150(8) 0.3392(3) 0.7382(2) 0.0247(12) Uani 1 1 d . . . . .
H10E H 0.7355 0.3357 0.7631 0.037 Uiso 1 1 calc R U . . .
H10F H 0.7160 0.2879 0.7281 0.037 Uiso 1 1 calc R U . . .
H10G H 0.7139 0.3662 0.7605 0.037 Uiso 1 1 calc R U . . .
C102 C 0.75238(8) 0.4635(3) 0.7229(2) 0.0247(12) Uani 1 1 d . . . . .
H10H H 0.7626 0.4783 0.7047 0.037 Uiso 1 1 calc R U . . .
H10I H 0.7574 0.4218 0.7514 0.037 Uiso 1 1 calc R U . . .
H10J H 0.7492 0.5073 0.7442 0.037 Uiso 1 1 calc R U . . .
C106 C 0.66613(10) 0.6510(4) 0.7712(3) 0.0542(19) Uiso 1 1 d D . . . .
H10K H 0.6550 0.6460 0.7875 0.081 Uiso 1 1 calc R U . . .
H10L H 0.6680 0.6029 0.7523 0.081 Uiso 1 1 calc R U . . .
H10M H 0.6632 0.6918 0.7411 0.081 Uiso 1 1 calc R U . . .
C83 C 0.74159(8) 0.3221(3) 0.5447(2) 0.0195(11) Uani 1 1 d . . . . .
C142 C 0.73994(8) 0.1854(3) 0.8340(2) 0.0226(11) Uiso 1 1 d D . . . .
C143 C 0.73269(9) 0.2146(3) 0.8801(3) 0.0312(13) Uiso 1 1 d D . . . .
H14K H 0.7183 0.2050 0.8694 0.047 Uiso 1 1 calc R U . . .
H14L H 0.7352 0.2695 0.8843 0.047 Uiso 1 1 calc R U . . .
H14M H 0.7396 0.1892 0.9182 0.047 Uiso 1 1 calc R U . . .
C146 C 0.72564(9) 0.1727(3) 0.6352(3) 0.0286(13) Uani 1 1 d . . . . .
H14B H 0.7111 0.1736 0.6162 0.043 Uiso 1 1 calc R U . . .
H14C H 0.7288 0.1790 0.6788 0.043 Uiso 1 1 calc R U . . .
H14D H 0.7309 0.1238 0.6268 0.043 Uiso 1 1 calc R U . . .
C148 C 0.76648(8) 0.2567(3) 0.7036(3) 0.0282(13) Uani 1 1 d . . . . .
H14E H 0.7762 0.2174 0.7025 0.042 Uiso 1 1 calc R U . . .
H14F H 0.7583 0.2386 0.7278 0.042 Uiso 1 1 calc R U . . .
H14G H 0.7735 0.3033 0.7215 0.042 Uiso 1 1 calc R U . . .
C149 C 0.77573(8) 0.3754(3) 0.6145(3) 0.0308(14) Uani 1 1 d . . . . .
H14H H 0.7738 0.4154 0.5840 0.046 Uiso 1 1 calc R U . . .
H14I H 0.7873 0.3441 0.6147 0.046 Uiso 1 1 calc R U . . .
H14J H 0.7781 0.3988 0.6541 0.046 Uiso 1 1 calc R U . . .
C161 C 0.5078(3) 0.6859(7) 0.2292(8) 0.063(4) Uiso 0.5 1 d D . P . .
C162 C 0.5038(2) 0.7623(6) 0.2381(7) 0.049(4) Uiso 0.5 1 d D . P . .
C02D C 0.61313(9) 0.6416(4) 0.6868(3) 0.0315(14) Uani 1 1 d . . . . .
H02D H 0.6149 0.6435 0.7287 0.038 Uiso 1 1 calc R U . . .
C01N C 0.61847(8) 0.6942(3) 0.5986(2) 0.0203(11) Uani 1 1 d . . . . .
H01N H 0.6241 0.7325 0.5802 0.024 Uiso 1 1 calc R U . . .
C00R C 0.60738(7) 0.6368(3) 0.5636(2) 0.0172(10) Uani 1 1 d . . . . .
C193 C 0.44125(17) 0.5732(7) 0.4495(7) 0.045(3) Uiso 0.5 1 d D . P . .
H19A H 0.4400 0.5466 0.4854 0.054 Uiso 0.5 1 calc R U P . .
H19B H 0.4370 0.5369 0.4155 0.054 Uiso 0.5 1 calc R U P . .
C194 C 0.4267(2) 0.6399(8) 0.4356(8) 0.063(4) Uiso 0.5 1 d D . P . .
H19C H 0.4327 0.6833 0.4612 0.094 Uiso 0.5 1 calc R U P . .
H19D H 0.4143 0.6250 0.4433 0.094 Uiso 0.5 1 calc R U P . .
H19E H 0.4237 0.6544 0.3932 0.094 Uiso 0.5 1 calc R U P . .
O9 O 0.46114(18) 0.5898(10) 0.4597(10) 0.176(9) Uiso 0.5 1 d D . P . .
C192 C 0.4742(3) 0.5288(10) 0.4652(11) 0.108(8) Uiso 0.5 1 d D . P . .
H19F H 0.4669 0.4858 0.4408 0.130 Uiso 0.5 1 calc R U P . .
H19G H 0.4788 0.5121 0.5077 0.130 Uiso 0.5 1 calc R U P . .
C191 C 0.4926(3) 0.5455(16) 0.4458(13) 0.153(12) Uiso 0.5 1 d D . P . .
H19H H 0.5014 0.5009 0.4538 0.230 Uiso 0.5 1 calc R U P . .
H19I H 0.4998 0.5892 0.4685 0.230 Uiso 0.5 1 calc R U P . .
H19J H 0.4884 0.5573 0.4028 0.230 Uiso 0.5 1 calc R U P . .
C02X C 0.60217(9) 0.5834(4) 0.6527(3) 0.0324(14) Uani 1 1 d . . . . .
H02X H 0.5965 0.5451 0.6712 0.039 Uiso 1 1 calc R U . . .
Co1 Co 0.73081(2) 0.35116(4) 0.61334(3) 0.01249(14) Uani 1 1 d . . . . .
Co2 Co 0.5000 1.0000 0.5000 0.0158(2) Uani 1 2 d S . P . .
Co3 Co 0.49546(3) 0.61311(11) 0.70030(9) 0.0451(5) Uani 0.5 1 d D . P . .
C105 C 0.68385(8) 0.6690(4) 0.8185(3) 0.0340(14) Uiso 1 1 d D . . . .
N4 N 0.5000 0.8261(5) 0.2500 0.063(3) Uiso 1 2 d DS . P . .
N5 N 0.74555(8) 0.1608(3) 0.7966(2) 0.0365(12) Uiso 1 1 d D . . . .
O1 O 0.64270(5) 0.68171(19) 0.38727(15) 0.0173(7) Uani 1 1 d . . . . .
O2 O 0.61356(5) 0.70579(18) 0.46732(15) 0.0151(7) Uani 1 1 d . . . . .
O3 O 0.60837(5) 0.79510(18) 0.33605(14) 0.0149(7) Uani 1 1 d . . . . .
O4 O 0.61797(4) 0.88969(18) 0.45643(14) 0.0114(7) Uani 1 1 d . . . . .
O5 O 0.65407(4) 0.87007(18) 0.40669(14) 0.0120(7) Uani 1 1 d . . . . .
O6 O 0.65592(4) 0.77152(18) 0.52201(14) 0.0118(7) Uani 1 1 d . . . . .
P1 P 0.67115(2) 0.92435(7) 0.40598(5) 0.0103(2) Uani 1 1 d . . . . .
P2 P 0.64702(2) 0.60297(7) 0.36515(6) 0.0147(3) Uani 1 1 d . . . . .
P3 P 0.60196(2) 0.63897(7) 0.48324(6) 0.0140(3) Uani 1 1 d . . . . .
P4 P 0.59243(2) 0.81682(7) 0.27639(5) 0.0123(3) Uani 1 1 d . . . . .
P5 P 0.67316(2) 0.78001(7) 0.58149(5) 0.0098(2) Uani 1 1 d . . . . .
P6 P 0.60425(2) 0.95618(7) 0.46120(5) 0.0106(2) Uani 1 1 d . . . . .
Th1 Th 0.63227(2) 0.78517(2) 0.42874(2) 0.00870(5) Uani 1 1 d . . . . .
C131 C 0.5091(3) 0.7004(7) 0.7410(8) 0.100 Uiso 0.5 1 d D U P B .
C132 C 0.51904(18) 0.6226(8) 0.7522(7) 0.100 Uiso 0.5 1 d D U P B .
C133 C 0.5000 0.5795(7) 0.7500 0.100 Uiso 1 2 d DS U P B .
C134 C 0.5222(3) 0.7637(9) 0.7364(9) 0.100 Uiso 0.5 1 d D U P . .
C135 C 0.53907(19) 0.5933(8) 0.7555(10) 0.100 Uiso 0.5 1 d D U P . .
C136 C 0.5000 0.4949(7) 0.7500 0.100 Uiso 1 2 d DS U P . .
C108 C 0.58725(13) 0.7573(6) 0.7705(4) 0.075(3) Uiso 1 1 d D . . . .
H10N H 0.5987 0.7817 0.7626 0.113 Uiso 1 1 calc R U . . .
H10O H 0.5918 0.7117 0.7952 0.113 Uiso 1 1 calc R U . . .
H10P H 0.5812 0.7929 0.7920 0.113 Uiso 1 1 calc R U . . .
C107 C 0.57295(12) 0.7363(5) 0.7152(4) 0.063(2) Uiso 1 1 d D . . . .
N1 N 0.56140(11) 0.7215(4) 0.6691(3) 0.075(2) Uiso 1 1 d D . . . .
N2 N 0.69816(9) 0.6852(4) 0.8565(3) 0.0572(17) Uiso 1 1 d D . . . .


_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
O8 C182 1.394(12) . ?
O8 C183 1.395(11) . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C181 H18D 0.9800 . ?
C181 C182 1.527(11) . ?
C182 H18E 0.9900 . ?
C182 H18F 0.9900 . ?
C183 H18G 0.9900 . ?
C183 H18H 0.9900 . ?
C183 C184 1.522(11) . ?
C184 H18I 0.9800 . ?
C184 H18J 0.9800 . ?
C184 H18K 0.9800 . ?
C111 C112 1.414(9) . ?
C111 C115 1.414(9) . ?
C111 C116 1.505(10) . ?
C111 Co3 2.023(8) . ?
C112 C113 1.414(9) . ?
C112 C117 1.505(10) . ?
C112 Co3 2.019(8) . ?
C113 C114 1.416(9) . ?
C113 C118 1.514(10) . ?
C113 Co3 2.025(8) . ?
C114 C115 1.409(9) . ?
C114 C119 1.497(10) . ?
C114 Co3 2.017(9) . ?
C115 C120 1.495(10) . ?
C115 Co3 2.026(9) . ?
C116 H11B 0.9800 . ?
C116 H11C 0.9800 . ?
C116 H11D 0.9800 . ?
C117 H11E 0.9800 . ?
C117 H11F 0.9800 . ?
C117 H11G 0.9800 . ?
C119 H11H 0.9800 . ?
C119 H11I 0.9800 . ?
C119 H11J 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C120 H12D 0.9800 . ?
B1 H1 1.1200 . ?
B1 B3 1.959(8) . ?
B1 B7 1.737(7) . ?
B1 B10 1.831(8) . ?
B1 C1 1.539(7) . ?
B2 H2 1.1200 . ?
B2 B4 1.850(8) . ?
B2 B6 1.741(8) . ?
B2 B9 1.958(8) . ?
B2 C2 1.549(7) . ?
B3 H3 1.1200 . ?
B3 B4 1.862(8) . ?
B3 B5 1.850(8) . ?
B3 B7 1.807(7) . ?
B3 C2 1.623(7) . ?
B4 H4 1.1200 . ?
B4 B5 1.760(8) . ?
B4 B6 1.801(8) . ?
B4 C2 1.608(7) . ?
B5 H5 1.1200 . ?
B5 B6 1.799(8) . ?
B5 B7 1.774(8) . ?
B5 B8 1.738(8) . ?
B6 H6 1.1200 . ?
B6 B8 1.779(8) . ?
B6 B9 1.830(8) . ?
B7 H7 1.1200 . ?
B7 B8 1.800(8) . ?
B7 B10 1.799(8) . ?
B8 H8 1.1200 . ?
B8 B9 1.855(8) . ?
B8 B10 1.763(8) . ?
B9 H9 1.1200 . ?
B9 B10 1.860(8) . ?
B9 C1 1.633(7) . ?
B10 H10 1.1200 . ?
B10 C1 1.611(6) . ?
B11 H11 1.1200 . ?
B11 B14 1.859(8) . ?
B11 B16 1.747(7) . ?
B11 B19 1.967(8) . ?
B11 C5 1.549(7) . ?
B12 H12 1.1200 . ?
B12 B13 1.955(8) . ?
B12 B17 1.750(7) . ?
B12 B20 1.857(8) . ?
B12 C6 1.542(7) . ?
B13 H13 1.1200 . ?
B13 B14 1.860(8) . ?
B13 B15 1.858(8) . ?
B13 B17 1.826(8) . ?
B13 C5 1.629(7) . ?
B14 H14 1.1200 . ?
B14 B15 1.761(8) . ?
B14 B16 1.803(8) . ?
B14 C5 1.611(7) . ?
B15 H15 1.1200 . ?
B15 B16 1.792(8) . ?
B15 B17 1.779(8) . ?
B15 B18 1.745(8) . ?
B16 H16 1.1200 . ?
B16 B18 1.767(8) . ?
B16 B19 1.817(8) . ?
B17 H17 1.1200 . ?
B17 B18 1.806(8) . ?
B17 B20 1.813(8) . ?
B18 H18 1.1200 . ?
B18 B19 1.840(8) . ?
B18 B20 1.766(7) . ?
B19 H19 1.1200 . ?
B19 B20 1.851(8) . ?
B19 C6 1.617(7) . ?
B20 H20 1.1200 . ?
B20 C6 1.610(7) . ?
B21 H21 1.1200 . ?
B21 B22 1.832(9) . ?
B21 B23 1.738(9) . ?
B21 B25 1.990(8) . ?
B21 C4 1.545(8) . ?
B22 H22 1.1200 . ?
B22 B23 1.793(9) . ?
B22 B24 1.874(8) . ?
B22 B26 1.769(9) . ?
B22 C4 1.614(7) . ?
B23 H23 1.1200 . ?
B23 B25 1.828(9) . ?
B23 B26 1.787(10) . ?
B23 B27 1.783(9) . ?
B24 H24 1.1200 . ?
B24 B26 1.863(9) . ?
B24 B28 1.824(9) . ?
B24 B30 1.963(8) . ?
B24 C4 1.616(7) . ?
B25 H25 1.1200 . ?
B25 B27 1.862(10) . ?
B25 B29 1.884(9) . ?
B25 C3 1.619(7) . ?
B26 H26 1.1200 . ?
B26 B27 1.735(10) . ?
B26 B28 1.764(9) . ?
B27 H27 1.1200 . ?
B27 B28 1.798(10) . ?
B27 B29 1.742(9) . ?
B28 H28 1.1200 . ?
B28 B29 1.799(10) . ?
B28 B30 1.729(9) . ?
B29 H29 1.1200 . ?
B29 B30 1.842(9) . ?
B29 C3 1.620(8) . ?
B30 H30 1.1200 . ?
B30 C3 1.549(8) . ?
C1 P1 1.735(5) . ?
C2 P5 1.717(5) . ?
C3 P2 1.730(5) . ?
C4 P3 1.725(5) . ?
C5 P6 1.733(5) . ?
C6 P4 1.721(5) . ?
C7 H7A 0.9500 . ?
C7 C8 1.390(7) . ?
C7 C12 1.390(7) . ?
C8 C9 1.384(7) . ?
C8 P6 1.814(5) . ?
C9 H9A 0.9500 . ?
C9 C10 1.385(7) . ?
C10 H10A 0.9500 . ?
C10 C11 1.389(8) . ?
C11 H11A 0.9500 . ?
C11 C12 1.376(7) . ?
C12 H12A 0.9500 . ?
C13 C14 1.395(7) . ?
C13 C18 1.390(7) . ?
C13 P6 1.803(5) . ?
C14 H14A 0.9500 . ?
C14 C15 1.383(7) . ?
C15 H15A 0.9500 . ?
C15 C16 1.384(7) . ?
C16 H16A 0.9500 . ?
C16 C17 1.384(7) . ?
C17 H17A 0.9500 . ?
C17 C18 1.378(7) . ?
C18 H18A 0.9500 . ?
C19 C20 1.393(6) . ?
C19 C24 1.396(7) . ?
C19 P1 1.801(5) . ?
C20 H20A 0.9500 . ?
C20 C21 1.381(7) . ?
C21 H21A 0.9500 . ?
C21 C22 1.382(7) . ?
C22 H22A 0.9500 . ?
C22 C23 1.394(7) . ?
C23 H23A 0.9500 . ?
C23 C24 1.387(7) . ?
C24 H24A 0.9500 . ?
C25 C26 1.381(7) . ?
C25 C27 1.391(7) . ?
C25 P1 1.811(5) . ?
C26 H26A 0.9500 . ?
C26 C30 1.394(7) . ?
C27 H27A 0.9500 . ?
C27 C28 1.389(7) . ?
C28 H28A 0.9500 . ?
C28 C29 1.373(8) . ?
C29 H29A 0.9500 . ?
C29 C30 1.390(8) . ?
C30 H30A 0.9500 . ?
C030 H030 0.9500 . ?
C030 C00R 1.395(7) . ?
C030 C02X 1.395(8) . ?
C31 C32 1.390(7) . ?
C31 C36 1.405(7) . ?
C31 P4 1.800(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.390(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.380(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.384(7) . ?
C034 H034 0.9500 . ?
C034 C02D 1.384(8) . ?
C034 C01N 1.399(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.380(7) . ?
C36 H36 0.9500 . ?
C37 C38 1.393(7) . ?
C37 C42 1.393(7) . ?
C37 P2 1.802(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.391(8) . ?
C39 H39 0.9500 . ?
C39 C40 1.378(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.377(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.385(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.399(7) . ?
C43 C48 1.398(7) . ?
C43 P4 1.801(5) . ?
C44 H44 0.9500 . ?
C44 C45 1.390(8) . ?
C45 H45 0.9500 . ?
C45 C46 1.383(9) . ?
C46 H46 0.9500 . ?
C46 C47 1.377(9) . ?
C47 H47 0.9500 . ?
C47 C48 1.380(8) . ?
C48 H48 0.9500 . ?
C49 C50 1.391(7) . ?
C49 C54 1.394(7) . ?
C49 P2 1.818(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.390(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.383(8) . ?
C52 H52 0.9500 . ?
C52 C53 1.382(8) . ?
C53 H53 0.9500 . ?
C53 C54 1.377(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.394(7) . ?
C55 C60 1.403(6) . ?
C55 P5 1.800(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.382(7) . ?
C57 H57 0.9500 . ?
C57 C58 1.389(7) . ?
C58 H58 0.9500 . ?
C58 C59 1.388(7) . ?
C59 H59 0.9500 . ?
C59 C60 1.372(7) . ?
C60 H60 0.9500 . ?
C61 C62 1.396(7) . ?
C61 C66 1.387(7) . ?
C61 P5 1.810(5) . ?
C62 H62 0.9500 . ?
C62 C63 1.380(7) . ?
C63 H63 0.9500 . ?
C63 C64 1.377(7) . ?
C64 H64 0.9500 . ?
C64 C65 1.396(7) . ?
C65 H65 0.9500 . ?
C65 C66 1.375(7) . ?
C66 H66 0.9500 . ?
C67 C68 1.382(8) . ?
C67 C72 1.386(7) . ?
C67 P3 1.813(5) . ?
C68 H68 0.9500 . ?
C68 C69 1.389(7) . ?
C69 H69 0.9500 . ?
C69 C70 1.367(9) . ?
C70 H70 0.9500 . ?
C70 C71 1.371(10) . ?
C71 H71 0.9500 . ?
C71 C72 1.390(9) . ?
C72 H72 0.9500 . ?
C73 C74 1.442(7) . ?
C73 C77 1.426(7) . ?
C73 C82 1.488(7) . ?
C73 Co2 2.065(5) . ?
C74 C75 1.432(6) . ?
C74 C81 1.488(7) . ?
C74 Co2 2.062(5) . ?
C75 C76 1.429(7) . ?
C75 C80 1.495(7) . ?
C75 Co2 2.056(5) . ?
C76 C77 1.442(7) . ?
C76 C79 1.489(7) . ?
C76 Co2 2.039(5) . ?
C77 C78 1.491(7) . ?
C77 Co2 2.050(5) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C84 C86 1.439(7) . ?
C84 C83 1.434(7) . ?
C84 C149 1.490(7) . ?
C84 Co1 2.047(5) . ?
C85 C86 1.440(7) . ?
C85 C87 1.427(7) . ?
C85 C146 1.491(7) . ?
C85 Co1 2.047(5) . ?
C86 C148 1.482(7) . ?
C86 Co1 2.055(5) . ?
C87 C89 1.487(7) . ?
C87 C83 1.434(7) . ?
C87 Co1 2.043(5) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C88 C83 1.496(7) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C93 C94 1.421(7) . ?
C93 C97 1.423(7) . ?
C93 C99 1.490(7) . ?
C93 Co1 2.052(5) . ?
C94 C95 1.434(7) . ?
C94 C100 1.504(7) . ?
C94 Co1 2.036(5) . ?
C95 C96 1.430(7) . ?
C95 C101 1.493(7) . ?
C95 Co1 2.044(5) . ?
C96 C97 1.435(7) . ?
C96 C102 1.504(7) . ?
C96 Co1 2.055(5) . ?
C97 C98 1.502(7) . ?
C97 Co1 2.038(5) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C100 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C101 H10F 0.9800 . ?
C101 H10G 0.9800 . ?
C102 H10H 0.9800 . ?
C102 H10I 0.9800 . ?
C102 H10J 0.9800 . ?
C106 H10K 0.9800 . ?
C106 H10L 0.9800 . ?
C106 H10M 0.9800 . ?
C106 C105 1.423(7) . ?
C83 Co1 2.044(5) . ?
C142 C143 1.425(6) . ?
C142 N5 1.150(6) . ?
C143 H14K 0.9800 . ?
C143 H14L 0.9800 . ?
C143 H14M 0.9800 . ?
C146 H14B 0.9800 . ?
C146 H14C 0.9800 . ?
C146 H14D 0.9800 . ?
C148 H14E 0.9800 . ?
C148 H14F 0.9800 . ?
C148 H14G 0.9800 . ?
C149 H14H 0.9800 . ?
C149 H14I 0.9800 . ?
C149 H14J 0.9800 . ?
C161 C161 1.68(3) 2_655 ?
C161 C162 1.857(15) 2_655 ?
C161 C162 1.398(9) . ?
C162 C161 1.857(15) 2_655 ?
C162 C162 0.89(2) 2_655 ?
C162 N4 1.205(8) . ?
C02D H02D 0.9500 . ?
C02D C02X 1.376(9) . ?
C01N H01N 0.9500 . ?
C01N C00R 1.378(7) . ?
C00R P3 1.799(5) . ?
C193 H19A 0.9900 . ?
C193 H19B 0.9900 . ?
C193 C194 1.524(11) . ?
C193 O9 1.378(12) . ?
C194 H19C 0.9800 . ?
C194 H19D 0.9800 . ?
C194 H19E 0.9800 . ?
O9 C192 1.393(12) . ?
C192 H19F 0.9900 . ?
C192 H19G 0.9900 . ?
C192 C191 1.528(12) . ?
C191 H19H 0.9800 . ?
C191 H19I 0.9800 . ?
C191 H19J 0.9800 . ?
C02X H02X 0.9500 . ?
Co2 C73 2.065(5) 5_676 ?
Co2 C74 2.062(5) 5_676 ?
Co2 C75 2.056(5) 5_676 ?
Co2 C76 2.039(5) 5_676 ?
Co2 C77 2.050(5) 5_676 ?
Co3 Co3 2.212(4) 2_656 ?
Co3 C131 2.146(14) 2_656 ?
Co3 C131 1.899(15) . ?
Co3 C132 1.736(14) 2_656 ?
Co3 C132 1.735(14) . ?
Co3 C133 1.254(6) . ?
C105 N2 1.153(7) . ?
N4 C162 1.205(8) 2_655 ?
O1 P2 1.539(3) . ?
O1 Th1 2.286(3) . ?
O2 P3 1.541(3) . ?
O2 Th1 2.288(3) . ?
O3 P4 1.543(3) . ?
O3 Th1 2.302(3) . ?
O4 P6 1.542(3) . ?
O4 Th1 2.282(3) . ?
O5 P1 1.540(3) . ?
O5 Th1 2.312(3) . ?
O6 P5 1.544(3) . ?
O6 Th1 2.310(3) . ?
C131 Co3 2.146(14) 2_656 ?
C131 C131 1.47(4) 2_656 ?
C131 C132 1.520(11) . ?
C131 C134 1.471(11) . ?
C132 Co3 1.736(14) 2_656 ?
C132 C133 1.527(11) . ?
C132 C135 1.483(10) . ?
C133 Co3 1.254(6) 2_656 ?
C133 C132 1.528(11) 2_656 ?
C133 C136 1.484(10) . ?
C136 Co3 2.351(11) 2_656 ?
C108 H10N 0.9800 . ?
C108 H10O 0.9800 . ?
C108 H10P 0.9800 . ?
C108 C107 1.420(8) . ?
C107 N1 1.160(7) . ?

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
C182 O8 C183 116.2(11) . . ?
H18B C181 H18C 109.5 . . ?
H18B C181 H18D 109.5 . . ?
H18C C181 H18D 109.5 . . ?
C182 C181 H18B 109.5 . . ?
C182 C181 H18C 109.5 . . ?
C182 C181 H18D 109.5 . . ?
O8 C182 C181 114.0(10) . . ?
O8 C182 H18E 108.8 . . ?
O8 C182 H18F 108.8 . . ?
C181 C182 H18E 108.8 . . ?
C181 C182 H18F 108.8 . . ?
H18E C182 H18F 107.7 . . ?
O8 C183 H18G 108.7 . . ?
O8 C183 H18H 108.7 . . ?
O8 C183 C184 114.3(10) . . ?
H18G C183 H18H 107.6 . . ?
C184 C183 H18G 108.7 . . ?
C184 C183 H18H 108.7 . . ?
C183 C184 H18I 109.5 . . ?
C183 C184 H18J 109.5 . . ?
C183 C184 H18K 109.5 . . ?
H18I C184 H18J 109.5 . . ?
H18I C184 H18K 109.5 . . ?
H18J C184 H18K 109.5 . . ?
C112 C111 C116 125.5(9) . . ?
C112 C111 Co3 69.4(3) . . ?
C115 C111 C112 108.0(4) . . ?
C115 C111 C116 126.5(9) . . ?
C115 C111 Co3 69.7(4) . . ?
C116 C111 Co3 126.4(9) . . ?
C111 C112 C117 126.5(9) . . ?
C111 C112 Co3 69.7(3) . . ?
C113 C112 C111 108.0(4) . . ?
C113 C112 C117 125.4(9) . . ?
C113 C112 Co3 69.8(3) . . ?
C117 C112 Co3 129.0(9) . . ?
C112 C113 C114 107.8(4) . . ?
C112 C113 C118 126.0(9) . . ?
C112 C113 Co3 69.3(3) . . ?
C114 C113 C118 126.2(9) . . ?
C114 C113 Co3 69.2(4) . . ?
C118 C113 Co3 128.2(9) . . ?
C113 C114 C119 125.3(9) . . ?
C113 C114 Co3 69.8(3) . . ?
C115 C114 C113 108.2(4) . . ?
C115 C114 C119 126.3(9) . . ?
C115 C114 Co3 69.9(4) . . ?
C119 C114 Co3 129.6(10) . . ?
C111 C115 C120 125.6(9) . . ?
C111 C115 Co3 69.4(3) . . ?
C114 C115 C111 108.0(4) . . ?
C114 C115 C120 126.3(9) . . ?
C114 C115 Co3 69.3(4) . . ?
C120 C115 Co3 129.1(9) . . ?
C111 C116 H11B 109.5 . . ?
C111 C116 H11C 109.5 . . ?
C111 C116 H11D 109.5 . . ?
H11B C116 H11C 109.5 . . ?
H11B C116 H11D 109.5 . . ?
H11C C116 H11D 109.5 . . ?
C112 C117 H11E 109.5 . . ?
C112 C117 H11F 109.5 . . ?
C112 C117 H11G 109.5 . . ?
H11E C117 H11F 109.5 . . ?
H11E C117 H11G 109.5 . . ?
H11F C117 H11G 109.5 . . ?
C114 C119 H11H 109.5 . . ?
C114 C119 H11I 109.5 . . ?
C114 C119 H11J 109.5 . . ?
H11H C119 H11I 109.5 . . ?
H11H C119 H11J 109.5 . . ?
H11I C119 H11J 109.5 . . ?
C115 C120 H12B 109.5 . . ?
C115 C120 H12C 109.5 . . ?
C115 C120 H12D 109.5 . . ?
H12B C120 H12C 109.5 . . ?
H12B C120 H12D 109.5 . . ?
H12C C120 H12D 109.5 . . ?
B3 B1 H1 110.4 . . ?
B7 B1 H1 139.5 . . ?
B7 B1 B3 58.2(3) . . ?
B7 B1 B10 60.5(3) . . ?
B10 B1 H1 140.7 . . ?
B10 B1 B3 108.1(4) . . ?
C1 B1 H1 111.1 . . ?
C1 B1 B3 115.7(4) . . ?
C1 B1 B7 108.2(4) . . ?
C1 B1 B10 56.3(3) . . ?
B4 B2 H2 141.0 . . ?
B4 B2 B9 108.3(4) . . ?
B6 B2 H2 139.7 . . ?
B6 B2 B4 60.1(3) . . ?
B6 B2 B9 58.9(3) . . ?
B9 B2 H2 110.0 . . ?
C2 B2 H2 111.8 . . ?
C2 B2 B4 55.6(3) . . ?
C2 B2 B6 107.3(4) . . ?
C2 B2 B9 115.6(4) . . ?
B1 B3 H3 110.2 . . ?
B4 B3 B1 122.5(4) . . ?
B4 B3 H3 122.1 . . ?
B5 B3 B1 103.5(4) . . ?
B5 B3 H3 132.5 . . ?
B5 B3 B4 56.6(3) . . ?
B7 B3 B1 54.8(3) . . ?
B7 B3 H3 119.8 . . ?
B7 B3 B4 109.5(4) . . ?
B7 B3 B5 58.0(3) . . ?
C2 B3 B1 89.2(3) . . ?
C2 B3 H3 108.6 . . ?
C2 B3 B4 54.4(3) . . ?
C2 B3 B5 104.2(4) . . ?
C2 B3 B7 126.5(4) . . ?
B2 B4 B3 91.1(4) . . ?
B2 B4 H4 130.7 . . ?
B3 B4 H4 129.7 . . ?
B5 B4 B2 103.8(4) . . ?
B5 B4 B3 61.4(3) . . ?
B5 B4 H4 118.9 . . ?
B5 B4 B6 60.7(3) . . ?
B6 B4 B2 56.9(3) . . ?
B6 B4 B3 99.9(4) . . ?
B6 B4 H4 124.7 . . ?
C2 B4 B2 52.6(3) . . ?
C2 B4 B3 55.2(3) . . ?
C2 B4 H4 124.4 . . ?
C2 B4 B5 109.1(4) . . ?
C2 B4 B6 102.0(4) . . ?
B3 B5 H5 125.8 . . ?
B4 B5 B3 62.0(3) . . ?
B4 B5 H5 115.0 . . ?
B4 B5 B6 60.8(3) . . ?
B4 B5 B7 116.0(4) . . ?
B6 B5 B3 100.4(4) . . ?
B6 B5 H5 126.1 . . ?
B7 B5 B3 59.8(3) . . ?
B7 B5 H5 119.2 . . ?
B7 B5 B6 106.7(4) . . ?
B8 B5 B3 106.8(4) . . ?
B8 B5 B4 115.7(4) . . ?
B8 B5 H5 119.0 . . ?
B8 B5 B6 60.3(3) . . ?
B8 B5 B7 61.7(3) . . ?
B2 B6 B4 63.0(3) . . ?
B2 B6 B5 106.8(4) . . ?
B2 B6 H6 117.1 . . ?
B2 B6 B8 116.2(4) . . ?
B2 B6 B9 66.5(3) . . ?
B4 B6 H6 117.9 . . ?
B4 B6 B9 116.6(4) . . ?
B5 B6 B4 58.6(3) . . ?
B5 B6 H6 127.0 . . ?
B5 B6 B9 105.8(4) . . ?
B8 B6 B4 111.7(4) . . ?
B8 B6 B5 58.1(3) . . ?
B8 B6 H6 118.7 . . ?
B8 B6 B9 61.9(3) . . ?
B9 B6 H6 117.8 . . ?
B1 B7 B3 67.1(3) . . ?
B1 B7 B5 116.9(4) . . ?
B1 B7 H7 116.9 . . ?
B1 B7 B8 106.6(4) . . ?
B1 B7 B10 62.3(3) . . ?
B3 B7 H7 117.3 . . ?
B5 B7 B3 62.2(3) . . ?
B5 B7 H7 118.3 . . ?
B5 B7 B8 58.2(3) . . ?
B5 B7 B10 112.0(4) . . ?
B8 B7 B3 106.1(4) . . ?
B8 B7 H7 127.1 . . ?
B10 B7 B3 116.6(4) . . ?
B10 B7 H7 118.2 . . ?
B10 B7 B8 58.7(3) . . ?
B5 B8 B6 61.5(3) . . ?
B5 B8 B7 60.1(3) . . ?
B5 B8 H8 119.1 . . ?
B5 B8 B9 107.2(4) . . ?
B5 B8 B10 115.5(4) . . ?
B6 B8 B7 106.5(4) . . ?
B6 B8 H8 119.0 . . ?
B6 B8 B9 60.4(3) . . ?
B7 B8 H8 126.4 . . ?
B7 B8 B9 100.3(4) . . ?
B9 B8 H8 125.5 . . ?
B10 B8 B6 116.2(4) . . ?
B10 B8 B7 60.6(3) . . ?
B10 B8 H8 115.1 . . ?
B10 B8 B9 61.8(3) . . ?
B2 B9 H9 110.7 . . ?
B6 B9 B2 54.6(3) . . ?
B6 B9 B8 57.7(3) . . ?
B6 B9 H9 120.1 . . ?
B6 B9 B10 109.2(4) . . ?
B8 B9 B2 103.1(4) . . ?
B8 B9 H9 132.5 . . ?
B8 B9 B10 56.7(3) . . ?
B10 B9 B2 122.1(4) . . ?
B10 B9 H9 122.2 . . ?
C1 B9 B2 88.9(3) . . ?
C1 B9 B6 126.1(4) . . ?
C1 B9 B8 104.3(4) . . ?
C1 B9 H9 108.7 . . ?
C1 B9 B10 54.5(3) . . ?
B1 B10 B9 91.6(3) . . ?
B1 B10 H10 130.4 . . ?
B7 B10 B1 57.2(3) . . ?
B7 B10 B9 100.2(4) . . ?
B7 B10 H10 124.6 . . ?
B8 B10 B1 104.2(4) . . ?
B8 B10 B7 60.7(3) . . ?
B8 B10 B9 61.5(3) . . ?
B8 B10 H10 118.6 . . ?
B9 B10 H10 129.4 . . ?
C1 B10 B1 52.7(3) . . ?
C1 B10 B7 102.2(4) . . ?
C1 B10 B8 109.5(4) . . ?
C1 B10 B9 55.6(3) . . ?
C1 B10 H10 124.2 . . ?
B14 B11 H11 141.2 . . ?
B14 B11 B19 107.5(4) . . ?
B16 B11 H11 139.9 . . ?
B16 B11 B14 59.9(3) . . ?
B16 B11 B19 58.2(3) . . ?
B19 B11 H11 110.6 . . ?
C5 B11 H11 111.9 . . ?
C5 B11 B14 55.5(3) . . ?
C5 B11 B16 107.1(4) . . ?
C5 B11 B19 115.4(4) . . ?
B13 B12 H12 110.3 . . ?
B17 B12 H12 139.6 . . ?
B17 B12 B13 58.8(3) . . ?
B17 B12 B20 60.3(3) . . ?
B20 B12 H12 140.8 . . ?
B20 B12 B13 108.2(3) . . ?
C6 B12 H12 112.0 . . ?
C6 B12 B13 115.1(4) . . ?
C6 B12 B17 107.3(4) . . ?
C6 B12 B20 55.6(3) . . ?
B12 B13 H13 109.6 . . ?
B14 B13 B12 123.2(4) . . ?
B14 B13 H13 122.1 . . ?
B15 B13 B12 103.6(4) . . ?
B15 B13 H13 132.9 . . ?
B15 B13 B14 56.5(3) . . ?
B17 B13 B12 55.0(3) . . ?
B17 B13 H13 119.8 . . ?
B17 B13 B14 109.4(4) . . ?
B17 B13 B15 57.7(3) . . ?
C5 B13 B12 90.0(4) . . ?
C5 B13 H13 108.0 . . ?
C5 B13 B14 54.5(3) . . ?
C5 B13 B15 104.4(4) . . ?
C5 B13 B17 127.2(4) . . ?
B11 B14 B13 90.8(3) . . ?
B11 B14 H14 130.8 . . ?
B13 B14 H14 129.8 . . ?
B15 B14 B11 103.9(4) . . ?
B15 B14 B13 61.7(3) . . ?
B15 B14 H14 118.6 . . ?
B15 B14 B16 60.4(3) . . ?
B16 B14 B11 56.9(3) . . ?
B16 B14 B13 99.4(4) . . ?
B16 B14 H14 125.1 . . ?
C5 B14 B11 52.4(3) . . ?
C5 B14 B13 55.4(3) . . ?
C5 B14 H14 124.2 . . ?
C5 B14 B15 109.7(4) . . ?
C5 B14 B16 101.8(4) . . ?
B13 B15 H15 125.9 . . ?
B14 B15 B13 61.8(3) . . ?
B14 B15 H15 114.8 . . ?
B14 B15 B16 61.0(3) . . ?
B14 B15 B17 116.4(4) . . ?
B16 B15 B13 99.9(4) . . ?
B16 B15 H15 126.5 . . ?
B17 B15 B13 60.2(3) . . ?
B17 B15 H15 118.9 . . ?
B17 B15 B16 106.4(4) . . ?
B18 B15 B13 106.8(4) . . ?
B18 B15 B14 115.8(4) . . ?
B18 B15 H15 119.2 . . ?
B18 B15 B16 59.9(3) . . ?
B18 B15 B17 61.7(3) . . ?
B11 B16 B14 63.1(3) . . ?
B11 B16 B15 107.4(4) . . ?
B11 B16 H16 116.4 . . ?
B11 B16 B18 117.2(4) . . ?
B11 B16 B19 67.0(3) . . ?
B14 B16 H16 117.7 . . ?
B14 B16 B19 117.0(4) . . ?
B15 B16 B14 58.6(3) . . ?
B15 B16 H16 126.8 . . ?
B15 B16 B19 106.0(4) . . ?
B18 B16 B14 112.5(4) . . ?
B18 B16 B15 58.7(3) . . ?
B18 B16 H16 118.1 . . ?
B18 B16 B19 61.8(3) . . ?
B19 B16 H16 117.7 . . ?
B12 B17 B13 66.2(3) . . ?
B12 B17 B15 116.3(4) . . ?
B12 B17 H17 117.2 . . ?
B12 B17 B18 106.5(4) . . ?
B12 B17 B20 62.8(3) . . ?
B13 B17 H17 118.0 . . ?
B15 B17 B13 62.1(3) . . ?
B15 B17 H17 118.4 . . ?
B15 B17 B18 58.2(3) . . ?
B15 B17 B20 111.8(4) . . ?
B18 B17 B13 105.6(4) . . ?
B18 B17 H17 127.2 . . ?
B18 B17 B20 58.4(3) . . ?
B20 B17 B13 116.1(4) . . ?
B20 B17 H17 118.1 . . ?
B15 B18 B16 61.4(3) . . ?
B15 B18 B17 60.1(3) . . ?
B15 B18 H18 119.1 . . ?
B15 B18 B19 107.0(4) . . ?
B15 B18 B20 115.8(4) . . ?
B16 B18 B17 106.4(4) . . ?
B16 B18 H18 119.1 . . ?
B16 B18 B19 60.4(3) . . ?
B17 B18 H18 126.4 . . ?
B17 B18 B19 100.2(4) . . ?
B19 B18 H18 125.6 . . ?
B20 B18 B16 116.3(4) . . ?
B20 B18 B17 61.0(3) . . ?
B20 B18 H18 114.9 . . ?
B20 B18 B19 61.7(3) . . ?
B11 B19 H19 109.9 . . ?
B16 B19 B11 54.8(3) . . ?
B16 B19 B18 57.8(3) . . ?
B16 B19 H19 120.1 . . ?
B16 B19 B20 109.8(4) . . ?
B18 B19 B11 103.9(4) . . ?
B18 B19 H19 132.2 . . ?
B18 B19 B20 57.2(3) . . ?
B20 B19 B11 123.4(4) . . ?
B20 B19 H19 121.5 . . ?
C6 B19 B11 89.2(3) . . ?
C6 B19 B16 126.3(4) . . ?
C6 B19 B18 104.9(4) . . ?
C6 B19 H19 108.4 . . ?
C6 B19 B20 54.8(3) . . ?
B12 B20 H20 130.8 . . ?
B17 B20 B12 56.9(3) . . ?
B17 B20 B19 99.5(4) . . ?
B17 B20 H20 124.9 . . ?
B18 B20 B12 103.6(4) . . ?
B18 B20 B17 60.6(3) . . ?
B18 B20 B19 61.1(3) . . ?
B18 B20 H20 119.1 . . ?
B19 B20 B12 90.8(3) . . ?
B19 B20 H20 129.9 . . ?
C6 B20 B12 52.2(3) . . ?
C6 B20 B17 101.5(4) . . ?
C6 B20 B18 108.6(4) . . ?
C6 B20 B19 55.2(3) . . ?
C6 B20 H20 124.7 . . ?
B22 B21 H21 140.3 . . ?
B22 B21 B25 108.1(4) . . ?
B23 B21 H21 139.8 . . ?
B23 B21 B22 60.2(4) . . ?
B23 B21 B25 58.3(3) . . ?
B25 B21 H21 110.7 . . ?
C4 B21 H21 111.9 . . ?
C4 B21 B22 56.3(3) . . ?
C4 B21 B23 107.2(5) . . ?
C4 B21 B25 114.5(4) . . ?
B21 B22 H22 130.1 . . ?
B21 B22 B24 91.4(4) . . ?
B23 B22 B21 57.3(3) . . ?
B23 B22 H22 124.9 . . ?
B23 B22 B24 99.6(4) . . ?
B24 B22 H22 129.8 . . ?
B26 B22 B21 104.0(4) . . ?
B26 B22 H22 119.1 . . ?
B26 B22 B23 60.2(4) . . ?
B26 B22 B24 61.4(4) . . ?
C4 B22 B21 52.8(3) . . ?
C4 B22 H22 124.9 . . ?
C4 B22 B23 101.7(4) . . ?
C4 B22 B24 54.6(3) . . ?
C4 B22 B26 108.3(4) . . ?
B21 B23 B22 62.5(3) . . ?
B21 B23 H23 116.3 . . ?
B21 B23 B25 67.8(4) . . ?
B21 B23 B26 107.3(5) . . ?
B21 B23 B27 117.6(4) . . ?
B22 B23 H23 117.6 . . ?
B22 B23 B25 117.6(4) . . ?
B25 B23 H23 117.0 . . ?
B26 B23 B22 59.2(4) . . ?
B26 B23 H23 127.0 . . ?
B26 B23 B25 106.2(4) . . ?
B27 B23 B22 112.7(5) . . ?
B27 B23 H23 118.1 . . ?
B27 B23 B25 62.1(4) . . ?
B27 B23 B26 58.2(4) . . ?
B22 B24 H24 122.2 . . ?
B22 B24 B30 122.0(4) . . ?
B26 B24 B22 56.5(3) . . ?
B26 B24 H24 133.3 . . ?
B26 B24 B30 102.0(4) . . ?
B28 B24 B22 108.8(4) . . ?
B28 B24 H24 120.4 . . ?
B28 B24 B26 57.2(3) . . ?
B28 B24 B30 54.2(3) . . ?
B30 B24 H24 110.9 . . ?
C4 B24 B22 54.5(3) . . ?
C4 B24 H24 108.4 . . ?
C4 B24 B26 103.9(4) . . ?
C4 B24 B28 126.2(5) . . ?
C4 B24 B30 89.5(4) . . ?
B21 B25 H25 110.1 . . ?
B23 B25 B21 53.9(3) . . ?
B23 B25 H25 120.6 . . ?
B23 B25 B27 57.8(4) . . ?
B23 B25 B29 108.1(5) . . ?
B27 B25 B21 102.8(4) . . ?
B27 B25 H25 133.4 . . ?
B27 B25 B29 55.4(3) . . ?
B29 B25 B21 122.4(4) . . ?
B29 B25 H25 122.9 . . ?
C3 B25 B21 90.4(4) . . ?
C3 B25 B23 126.2(5) . . ?
C3 B25 H25 108.3 . . ?
C3 B25 B27 103.4(4) . . ?
C3 B25 B29 54.5(3) . . ?
B22 B26 B23 60.6(4) . . ?
B22 B26 B24 62.1(3) . . ?
B22 B26 H26 114.8 . . ?
B23 B26 B24 100.3(4) . . ?
B23 B26 H26 126.2 . . ?
B24 B26 H26 125.6 . . ?
B27 B26 B22 116.2(5) . . ?
B27 B26 B23 60.8(4) . . ?
B27 B26 B24 107.4(4) . . ?
B27 B26 H26 118.6 . . ?
B27 B26 B28 61.8(4) . . ?
B28 B26 B22 116.7(5) . . ?
B28 B26 B23 107.1(5) . . ?
B28 B26 B24 60.3(4) . . ?
B28 B26 H26 118.7 . . ?
B23 B27 B25 60.2(4) . . ?
B23 B27 H27 119.3 . . ?
B23 B27 B28 105.9(5) . . ?
B25 B27 H27 125.2 . . ?
B26 B27 B23 61.0(4) . . ?
B26 B27 B25 106.9(4) . . ?
B26 B27 H27 119.4 . . ?
B26 B27 B28 59.9(4) . . ?
B26 B27 B29 116.0(5) . . ?
B28 B27 B25 100.7(4) . . ?
B28 B27 H27 126.6 . . ?
B29 B27 B23 117.0(5) . . ?
B29 B27 B25 62.9(4) . . ?
B29 B27 H27 114.1 . . ?
B29 B27 B28 61.1(4) . . ?
B24 B28 H28 116.8 . . ?
B26 B28 B24 62.5(4) . . ?
B26 B28 B27 58.3(4) . . ?
B26 B28 H28 118.4 . . ?
B26 B28 B29 111.7(5) . . ?
B27 B28 B24 106.4(4) . . ?
B27 B28 H28 127.5 . . ?
B27 B28 B29 57.9(4) . . ?
B29 B28 B24 117.5(4) . . ?
B29 B28 H28 118.0 . . ?
B30 B28 B24 67.0(3) . . ?
B30 B28 B26 116.7(5) . . ?
B30 B28 B27 106.1(5) . . ?
B30 B28 H28 117.1 . . ?
B30 B28 B29 62.9(3) . . ?
B25 B29 H29 130.2 . . ?
B27 B29 B25 61.6(4) . . ?
B27 B29 B28 61.0(4) . . ?
B27 B29 H29 118.7 . . ?
B27 B29 B30 103.6(4) . . ?
B28 B29 B25 99.8(4) . . ?
B28 B29 H29 124.6 . . ?
B28 B29 B30 56.7(3) . . ?
B30 B29 B25 90.3(4) . . ?
B30 B29 H29 131.0 . . ?
C3 B29 B25 54.4(3) . . ?
C3 B29 B27 108.8(4) . . ?
C3 B29 B28 101.9(4) . . ?
C3 B29 H29 124.6 . . ?
C3 B29 B30 52.7(3) . . ?
B24 B30 H30 109.6 . . ?
B28 B30 B24 58.8(3) . . ?
B28 B30 B29 60.4(4) . . ?
B28 B30 H30 139.7 . . ?
B29 B30 B24 108.9(4) . . ?
B29 B30 H30 140.7 . . ?
C3 B30 B24 116.6(4) . . ?
C3 B30 B28 108.3(5) . . ?
C3 B30 B29 56.3(3) . . ?
C3 B30 H30 110.9 . . ?
B1 C1 B9 113.0(4) . . ?
B1 C1 B10 71.0(3) . . ?
B1 C1 P1 116.2(4) . . ?
B9 C1 P1 130.8(3) . . ?
B10 C1 B9 69.9(3) . . ?
B10 C1 P1 125.9(3) . . ?
B2 C2 B3 113.3(4) . . ?
B2 C2 B4 71.8(3) . . ?
B2 C2 P5 118.3(3) . . ?
B3 C2 P5 128.4(4) . . ?
B4 C2 B3 70.4(3) . . ?
B4 C2 P5 126.6(3) . . ?
B25 C3 B29 71.1(4) . . ?
B25 C3 P2 130.7(4) . . ?
B29 C3 P2 127.1(4) . . ?
B30 C3 B25 112.9(5) . . ?
B30 C3 B29 71.0(4) . . ?
B30 C3 P2 116.4(4) . . ?
B21 C4 B22 70.9(4) . . ?
B21 C4 B24 114.1(4) . . ?
B21 C4 P3 121.3(4) . . ?
B22 C4 B24 70.9(4) . . ?
B22 C4 P3 125.5(4) . . ?
B24 C4 P3 124.5(4) . . ?
B11 C5 B13 112.9(4) . . ?
B11 C5 B14 72.0(3) . . ?
B11 C5 P6 116.4(4) . . ?
B13 C5 P6 130.7(4) . . ?
B14 C5 B13 70.1(3) . . ?
B14 C5 P6 124.0(3) . . ?
B12 C6 B19 113.4(4) . . ?
B12 C6 B20 72.1(3) . . ?
B12 C6 P4 120.1(3) . . ?
B19 C6 P4 126.4(4) . . ?
B20 C6 B19 70.0(3) . . ?
B20 C6 P4 128.7(4) . . ?
C8 C7 H7A 120.0 . . ?
C12 C7 H7A 120.0 . . ?
C12 C7 C8 120.1(5) . . ?
C7 C8 P6 120.1(4) . . ?
C9 C8 C7 119.5(4) . . ?
C9 C8 P6 120.4(4) . . ?
C8 C9 H9A 119.9 . . ?
C8 C9 C10 120.2(5) . . ?
C10 C9 H9A 119.9 . . ?
C9 C10 H10A 119.9 . . ?
C9 C10 C11 120.1(5) . . ?
C11 C10 H10A 119.9 . . ?
C10 C11 H11A 120.1 . . ?
C12 C11 C10 119.8(5) . . ?
C12 C11 H11A 120.1 . . ?
C7 C12 H12A 119.9 . . ?
C11 C12 C7 120.2(5) . . ?
C11 C12 H12A 119.9 . . ?
C14 C13 P6 120.4(4) . . ?
C18 C13 C14 119.4(4) . . ?
C18 C13 P6 120.1(4) . . ?
C13 C14 H14A 120.2 . . ?
C15 C14 C13 119.5(4) . . ?
C15 C14 H14A 120.2 . . ?
C14 C15 H15A 119.8 . . ?
C14 C15 C16 120.4(5) . . ?
C16 C15 H15A 119.8 . . ?
C15 C16 H16A 119.9 . . ?
C15 C16 C17 120.3(5) . . ?
C17 C16 H16A 119.9 . . ?
C16 C17 H17A 120.3 . . ?
C18 C17 C16 119.5(5) . . ?
C18 C17 H17A 120.3 . . ?
C13 C18 H18A 119.6 . . ?
C17 C18 C13 120.8(5) . . ?
C17 C18 H18A 119.6 . . ?
C20 C19 C24 119.3(4) . . ?
C20 C19 P1 120.6(4) . . ?
C24 C19 P1 120.2(3) . . ?
C19 C20 H20A 119.7 . . ?
C21 C20 C19 120.7(5) . . ?
C21 C20 H20A 119.7 . . ?
C20 C21 H21A 119.9 . . ?
C20 C21 C22 120.2(5) . . ?
C22 C21 H21A 119.9 . . ?
C21 C22 H22A 120.1 . . ?
C21 C22 C23 119.7(5) . . ?
C23 C22 H22A 120.1 . . ?
C22 C23 H23A 119.8 . . ?
C24 C23 C22 120.4(5) . . ?
C24 C23 H23A 119.8 . . ?
C19 C24 H24A 120.1 . . ?
C23 C24 C19 119.8(4) . . ?
C23 C24 H24A 120.1 . . ?
C26 C25 C27 118.7(5) . . ?
C26 C25 P1 120.1(4) . . ?
C27 C25 P1 121.2(4) . . ?
C25 C26 H26A 119.4 . . ?
C25 C26 C30 121.2(5) . . ?
C30 C26 H26A 119.4 . . ?
C25 C27 H27A 119.8 . . ?
C28 C27 C25 120.5(5) . . ?
C28 C27 H27A 119.8 . . ?
C27 C28 H28A 119.8 . . ?
C29 C28 C27 120.4(5) . . ?
C29 C28 H28A 119.8 . . ?
C28 C29 H29A 120.0 . . ?
C28 C29 C30 120.0(5) . . ?
C30 C29 H29A 120.0 . . ?
C26 C30 H30A 120.4 . . ?
C29 C30 C26 119.3(5) . . ?
C29 C30 H30A 120.4 . . ?
C00R C030 H030 120.0 . . ?
C02X C030 H030 120.0 . . ?
C02X C030 C00R 120.1(5) . . ?
C32 C31 C36 119.5(4) . . ?
C32 C31 P4 120.1(4) . . ?
C36 C31 P4 120.4(4) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0(5) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.1(5) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 119.9 . . ?
C33 C34 C35 120.2(5) . . ?
C35 C34 H34 119.9 . . ?
C02D C034 H034 120.5 . . ?
C02D C034 C01N 119.0(5) . . ?
C01N C034 H034 120.5 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.4(5) . . ?
C36 C35 H35 119.8 . . ?
C31 C36 H36 120.1 . . ?
C35 C36 C31 119.7(5) . . ?
C35 C36 H36 120.1 . . ?
C38 C37 C42 118.8(5) . . ?
C38 C37 P2 119.2(4) . . ?
C42 C37 P2 121.7(4) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.4(5) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 120.1 . . ?
C40 C39 C38 119.8(5) . . ?
C40 C39 H39 120.1 . . ?
C39 C40 H40 119.8 . . ?
C41 C40 C39 120.4(5) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.1(5) . . ?
C42 C41 H41 120.0 . . ?
C37 C42 H42 119.8 . . ?
C41 C42 C37 120.5(5) . . ?
C41 C42 H42 119.8 . . ?
C44 C43 P4 118.8(4) . . ?
C48 C43 C44 119.6(5) . . ?
C48 C43 P4 121.4(4) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.4(5) . . ?
C45 C44 H44 119.8 . . ?
C44 C45 H45 120.6 . . ?
C46 C45 C44 118.9(6) . . ?
C46 C45 H45 120.6 . . ?
C45 C46 H46 119.4 . . ?
C47 C46 C45 121.2(6) . . ?
C47 C46 H46 119.4 . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.5(5) . . ?
C48 C47 H47 119.8 . . ?
C43 C48 H48 120.3 . . ?
C47 C48 C43 119.5(5) . . ?
C47 C48 H48 120.3 . . ?
C50 C49 C54 118.7(5) . . ?
C50 C49 P2 120.8(4) . . ?
C54 C49 P2 120.4(4) . . ?
C49 C50 H50 119.7 . . ?
C51 C50 C49 120.5(5) . . ?
C51 C50 H50 119.7 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 119.9(5) . . ?
C52 C51 H51 120.0 . . ?
C51 C52 H52 120.1 . . ?
C53 C52 C51 119.8(5) . . ?
C53 C52 H52 120.1 . . ?
C52 C53 H53 119.8 . . ?
C54 C53 C52 120.5(5) . . ?
C54 C53 H53 119.8 . . ?
C49 C54 H54 119.7 . . ?
C53 C54 C49 120.5(5) . . ?
C53 C54 H54 119.7 . . ?
C56 C55 C60 119.3(4) . . ?
C56 C55 P5 119.0(4) . . ?
C60 C55 P5 121.4(4) . . ?
C55 C56 H56 119.9 . . ?
C57 C56 C55 120.2(5) . . ?
C57 C56 H56 119.9 . . ?
C56 C57 H57 120.1 . . ?
C56 C57 C58 119.8(5) . . ?
C58 C57 H57 120.1 . . ?
C57 C58 H58 119.9 . . ?
C59 C58 C57 120.1(5) . . ?
C59 C58 H58 119.9 . . ?
C58 C59 H59 119.8 . . ?
C60 C59 C58 120.3(5) . . ?
C60 C59 H59 119.8 . . ?
C55 C60 H60 120.0 . . ?
C59 C60 C55 120.1(5) . . ?
C59 C60 H60 120.0 . . ?
C62 C61 P5 119.5(4) . . ?
C66 C61 C62 119.1(4) . . ?
C66 C61 P5 121.3(4) . . ?
C61 C62 H62 120.1 . . ?
C63 C62 C61 119.8(5) . . ?
C63 C62 H62 120.1 . . ?
C62 C63 H63 119.6 . . ?
C64 C63 C62 120.7(5) . . ?
C64 C63 H63 119.6 . . ?
C63 C64 H64 120.1 . . ?
C63 C64 C65 119.8(5) . . ?
C65 C64 H64 120.1 . . ?
C64 C65 H65 120.2 . . ?
C66 C65 C64 119.5(5) . . ?
C66 C65 H65 120.2 . . ?
C61 C66 H66 119.5 . . ?
C65 C66 C61 121.0(5) . . ?
C65 C66 H66 119.5 . . ?
C68 C67 C72 118.6(5) . . ?
C68 C67 P3 119.0(4) . . ?
C72 C67 P3 122.4(4) . . ?
C67 C68 H68 119.7 . . ?
C67 C68 C69 120.6(5) . . ?
C69 C68 H68 119.7 . . ?
C68 C69 H69 119.9 . . ?
C70 C69 C68 120.2(6) . . ?
C70 C69 H69 119.9 . . ?
C69 C70 H70 120.1 . . ?
C69 C70 C71 119.8(6) . . ?
C71 C70 H70 120.1 . . ?
C70 C71 H71 119.8 . . ?
C70 C71 C72 120.5(6) . . ?
C72 C71 H71 119.8 . . ?
C67 C72 C71 120.2(6) . . ?
C67 C72 H72 119.9 . . ?
C71 C72 H72 119.9 . . ?
C74 C73 C82 125.2(5) . . ?
C74 C73 Co2 69.4(3) . . ?
C77 C73 C74 108.4(4) . . ?
C77 C73 C82 126.4(5) . . ?
C77 C73 Co2 69.1(3) . . ?
C82 C73 Co2 128.1(4) . . ?
C73 C74 C81 125.5(4) . . ?
C73 C74 Co2 69.7(3) . . ?
C75 C74 C73 107.3(4) . . ?
C75 C74 C81 127.0(4) . . ?
C75 C74 Co2 69.4(3) . . ?
C81 C74 Co2 129.6(4) . . ?
C74 C75 C80 125.1(5) . . ?
C74 C75 Co2 69.9(3) . . ?
C76 C75 C74 108.7(4) . . ?
C76 C75 C80 126.3(5) . . ?
C76 C75 Co2 68.9(3) . . ?
C80 C75 Co2 127.7(4) . . ?
C75 C76 C77 107.7(4) . . ?
C75 C76 C79 126.2(5) . . ?
C75 C76 Co2 70.2(3) . . ?
C77 C76 C79 125.8(5) . . ?
C77 C76 Co2 69.7(3) . . ?
C79 C76 Co2 129.2(4) . . ?
C73 C77 C76 107.9(4) . . ?
C73 C77 C78 126.3(5) . . ?
C73 C77 Co2 70.3(3) . . ?
C76 C77 C78 125.8(5) . . ?
C76 C77 Co2 69.0(3) . . ?
C78 C77 Co2 128.3(4) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C76 C79 H79A 109.5 . . ?
C76 C79 H79B 109.5 . . ?
C76 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C75 C80 H80A 109.5 . . ?
C75 C80 H80B 109.5 . . ?
C75 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C74 C81 H81A 109.5 . . ?
C74 C81 H81B 109.5 . . ?
C74 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C73 C82 H82A 109.5 . . ?
C73 C82 H82B 109.5 . . ?
C73 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C86 C84 C149 124.2(5) . . ?
C86 C84 Co1 69.8(3) . . ?
C83 C84 C86 108.0(4) . . ?
C83 C84 C149 127.8(5) . . ?
C83 C84 Co1 69.4(3) . . ?
C149 C84 Co1 127.9(4) . . ?
C86 C85 C146 125.7(5) . . ?
C86 C85 Co1 69.7(3) . . ?
C87 C85 C86 108.5(4) . . ?
C87 C85 C146 125.6(5) . . ?
C87 C85 Co1 69.4(3) . . ?
C146 C85 Co1 129.9(4) . . ?
C84 C86 C85 107.4(4) . . ?
C84 C86 C148 126.4(5) . . ?
C84 C86 Co1 69.2(3) . . ?
C85 C86 C148 126.2(5) . . ?
C85 C86 Co1 69.1(3) . . ?
C148 C86 Co1 128.6(4) . . ?
C85 C87 C89 125.4(5) . . ?
C85 C87 C83 107.8(4) . . ?
C85 C87 Co1 69.7(3) . . ?
C89 C87 Co1 128.6(4) . . ?
C83 C87 C89 126.7(5) . . ?
C83 C87 Co1 69.5(3) . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C83 C88 H88A 109.5 . . ?
C83 C88 H88B 109.5 . . ?
C83 C88 H88C 109.5 . . ?
C87 C89 H89A 109.5 . . ?
C87 C89 H89B 109.5 . . ?
C87 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C94 C93 C97 107.5(4) . . ?
C94 C93 C99 126.8(4) . . ?
C94 C93 Co1 69.1(3) . . ?
C97 C93 C99 125.7(5) . . ?
C97 C93 Co1 69.1(3) . . ?
C99 C93 Co1 128.5(4) . . ?
C93 C94 C95 108.7(4) . . ?
C93 C94 C100 125.7(5) . . ?
C93 C94 Co1 70.2(3) . . ?
C95 C94 C100 125.4(5) . . ?
C95 C94 Co1 69.7(3) . . ?
C100 C94 Co1 128.9(4) . . ?
C94 C95 C101 126.3(5) . . ?
C94 C95 Co1 69.2(3) . . ?
C96 C95 C94 107.6(4) . . ?
C96 C95 C101 126.0(5) . . ?
C96 C95 Co1 70.0(3) . . ?
C101 C95 Co1 128.5(4) . . ?
C95 C96 C97 107.4(4) . . ?
C95 C96 C102 125.5(5) . . ?
C95 C96 Co1 69.2(3) . . ?
C97 C96 C102 127.1(5) . . ?
C97 C96 Co1 68.8(3) . . ?
C102 C96 Co1 128.7(4) . . ?
C93 C97 C96 108.7(4) . . ?
C93 C97 C98 125.7(5) . . ?
C93 C97 Co1 70.2(3) . . ?
C96 C97 C98 125.5(5) . . ?
C96 C97 Co1 70.1(3) . . ?
C98 C97 Co1 128.1(4) . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C93 C99 H99A 109.5 . . ?
C93 C99 H99B 109.5 . . ?
C93 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C94 C100 H10B 109.5 . . ?
C94 C100 H10C 109.5 . . ?
C94 C100 H10D 109.5 . . ?
H10B C100 H10C 109.5 . . ?
H10B C100 H10D 109.5 . . ?
H10C C100 H10D 109.5 . . ?
C95 C101 H10E 109.5 . . ?
C95 C101 H10F 109.5 . . ?
C95 C101 H10G 109.5 . . ?
H10E C101 H10F 109.5 . . ?
H10E C101 H10G 109.5 . . ?
H10F C101 H10G 109.5 . . ?
C96 C102 H10H 109.5 . . ?
C96 C102 H10I 109.5 . . ?
C96 C102 H10J 109.5 . . ?
H10H C102 H10I 109.5 . . ?
H10H C102 H10J 109.5 . . ?
H10I C102 H10J 109.5 . . ?
H10K C106 H10L 109.5 . . ?
H10K C106 H10M 109.5 . . ?
H10L C106 H10M 109.5 . . ?
C105 C106 H10K 109.5 . . ?
C105 C106 H10L 109.5 . . ?
C105 C106 H10M 109.5 . . ?
C84 C83 C87 108.2(4) . . ?
C84 C83 C88 126.6(5) . . ?
C84 C83 Co1 69.6(3) . . ?
C87 C83 C88 125.1(5) . . ?
C87 C83 Co1 69.4(3) . . ?
C88 C83 Co1 127.4(4) . . ?
N5 C142 C143 178.8(6) . . ?
C142 C143 H14K 109.5 . . ?
C142 C143 H14L 109.5 . . ?
C142 C143 H14M 109.5 . . ?
H14K C143 H14L 109.5 . . ?
H14K C143 H14M 109.5 . . ?
H14L C143 H14M 109.5 . . ?
C85 C146 H14B 109.5 . . ?
C85 C146 H14C 109.5 . . ?
C85 C146 H14D 109.5 . . ?
H14B C146 H14C 109.5 . . ?
H14B C146 H14D 109.5 . . ?
H14C C146 H14D 109.5 . . ?
C86 C148 H14E 109.5 . . ?
C86 C148 H14F 109.5 . . ?
C86 C148 H14G 109.5 . . ?
H14E C148 H14F 109.5 . . ?
H14E C148 H14G 109.5 . . ?
H14F C148 H14G 109.5 . . ?
C84 C149 H14H 109.5 . . ?
C84 C149 H14I 109.5 . . ?
C84 C149 H14J 109.5 . . ?
H14H C149 H14I 109.5 . . ?
H14H C149 H14J 109.5 . . ?
H14I C149 H14J 109.5 . . ?
C161 C161 C162 46.2(5) 2_655 2_655 ?
C162 C161 C161 73.4(9) . 2_655 ?
C162 C161 C162 27.3(8) . 2_655 ?
C161 C162 C161 60.4(12) . 2_655 ?
C162 C162 C161 46.2(5) 2_655 2_655 ?
C162 C162 C161 106.5(9) 2_655 . ?
C162 C162 N4 68.4(6) 2_655 . ?
N4 C162 C161 114.6(9) . 2_655 ?
N4 C162 C161 174.6(14) . . ?
C034 C02D H02D 119.7 . . ?
C02X C02D C034 120.5(5) . . ?
C02X C02D H02D 119.7 . . ?
C034 C01N H01N 119.4 . . ?
C00R C01N C034 121.3(5) . . ?
C00R C01N H01N 119.4 . . ?
C030 C00R P3 120.8(4) . . ?
C01N C00R C030 118.9(5) . . ?
C01N C00R P3 120.1(4) . . ?
H19A C193 H19B 107.3 . . ?
C194 C193 H19A 108.0 . . ?
C194 C193 H19B 108.0 . . ?
O9 C193 H19A 108.0 . . ?
O9 C193 H19B 108.0 . . ?
O9 C193 C194 117.1(10) . . ?
C193 C194 H19C 109.5 . . ?
C193 C194 H19D 109.5 . . ?
C193 C194 H19E 109.5 . . ?
H19C C194 H19D 109.5 . . ?
H19C C194 H19E 109.5 . . ?
H19D C194 H19E 109.5 . . ?
C193 O9 C192 117.6(14) . . ?
O9 C192 H19F 108.5 . . ?
O9 C192 H19G 108.5 . . ?
O9 C192 C191 115.1(11) . . ?
H19F C192 H19G 107.5 . . ?
C191 C192 H19F 108.5 . . ?
C191 C192 H19G 108.5 . . ?
C192 C191 H19H 109.5 . . ?
C192 C191 H19I 109.5 . . ?
C192 C191 H19J 109.5 . . ?
H19H C191 H19I 109.5 . . ?
H19H C191 H19J 109.5 . . ?
H19I C191 H19J 109.5 . . ?
C030 C02X H02X 119.9 . . ?
C02D C02X C030 120.2(5) . . ?
C02D C02X H02X 119.9 . . ?
C84 Co1 C86 41.1(2) . . ?
C84 Co1 C93 138.7(2) . . ?
C84 Co1 C96 110.9(2) . . ?
C85 Co1 C84 69.05(19) . . ?
C85 Co1 C86 41.11(19) . . ?
C85 Co1 C93 138.6(2) . . ?
C85 Co1 C96 140.1(2) . . ?
C87 Co1 C84 69.2(2) . . ?
C87 Co1 C85 40.8(2) . . ?
C87 Co1 C86 69.2(2) . . ?
C87 Co1 C93 110.3(2) . . ?
C87 Co1 C95 139.6(2) . . ?
C87 Co1 C96 179.1(2) . . ?
C87 Co1 C83 41.1(2) . . ?
C93 Co1 C86 179.5(2) . . ?
C93 Co1 C96 68.9(2) . . ?
C94 Co1 C84 179.3(2) . . ?
C94 Co1 C85 111.6(2) . . ?
C94 Co1 C86 139.5(2) . . ?
C94 Co1 C87 111.1(2) . . ?
C94 Co1 C93 40.68(19) . . ?
C94 Co1 C95 41.2(2) . . ?
C94 Co1 C96 68.8(2) . . ?
C94 Co1 C97 68.5(2) . . ?
C94 Co1 C83 138.9(2) . . ?
C95 Co1 C84 138.9(2) . . ?
C95 Co1 C85 111.9(2) . . ?
C95 Co1 C86 111.4(2) . . ?
C95 Co1 C93 69.0(2) . . ?
C95 Co1 C96 40.8(2) . . ?
C95 Co1 C83 179.2(2) . . ?
C96 Co1 C86 111.5(2) . . ?
C97 Co1 C84 110.9(2) . . ?
C97 Co1 C85 178.8(2) . . ?
C97 Co1 C86 139.52(19) . . ?
C97 Co1 C87 138.0(2) . . ?
C97 Co1 C93 40.72(19) . . ?
C97 Co1 C95 68.9(2) . . ?
C97 Co1 C96 41.0(2) . . ?
C97 Co1 C83 110.3(2) . . ?
C83 Co1 C84 41.0(2) . . ?
C83 Co1 C85 68.8(2) . . ?
C83 Co1 C86 69.1(2) . . ?
C83 Co1 C93 110.5(2) . . ?
C83 Co1 C96 138.5(2) . . ?
C73 Co2 C73 180.0 5_676 . ?
C74 Co2 C73 40.91(19) . . ?
C74 Co2 C73 40.90(19) 5_676 5_676 ?
C74 Co2 C73 139.1(2) . 5_676 ?
C74 Co2 C73 139.10(19) 5_676 . ?
C74 Co2 C74 180.0 . 5_676 ?
C75 Co2 C73 68.4(2) . . ?
C75 Co2 C73 68.4(2) 5_676 5_676 ?
C75 Co2 C73 111.7(2) . 5_676 ?
C75 Co2 C73 111.6(2) 5_676 . ?
C75 Co2 C74 40.70(18) 5_676 5_676 ?
C75 Co2 C74 139.30(18) 5_676 . ?
C75 Co2 C74 139.30(18) . 5_676 ?
C75 Co2 C74 40.69(18) . . ?
C75 Co2 C75 180.0 . 5_676 ?
C76 Co2 C73 111.2(2) . 5_676 ?
C76 Co2 C73 111.2(2) 5_676 . ?
C76 Co2 C73 68.8(2) 5_676 5_676 ?
C76 Co2 C73 68.8(2) . . ?
C76 Co2 C74 69.0(2) 5_676 5_676 ?
C76 Co2 C74 111.0(2) 5_676 . ?
C76 Co2 C74 111.0(2) . 5_676 ?
C76 Co2 C74 69.0(2) . . ?
C76 Co2 C75 139.2(2) . 5_676 ?
C76 Co2 C75 40.8(2) . . ?
C76 Co2 C75 139.2(2) 5_676 . ?
C76 Co2 C75 40.8(2) 5_676 5_676 ?
C76 Co2 C76 180.0(2) 5_676 . ?
C76 Co2 C77 138.7(2) 5_676 . ?
C76 Co2 C77 138.7(2) . 5_676 ?
C76 Co2 C77 41.3(2) . . ?
C76 Co2 C77 41.3(2) 5_676 5_676 ?
C77 Co2 C73 40.6(2) 5_676 5_676 ?
C77 Co2 C73 139.4(2) . 5_676 ?
C77 Co2 C73 40.6(2) . . ?
C77 Co2 C73 139.4(2) 5_676 . ?
C77 Co2 C74 68.9(2) . . ?
C77 Co2 C74 111.1(2) . 5_676 ?
C77 Co2 C74 68.9(2) 5_676 5_676 ?
C77 Co2 C74 111.1(2) 5_676 . ?
C77 Co2 C75 68.8(2) 5_676 5_676 ?
C77 Co2 C75 68.8(2) . . ?
C77 Co2 C75 111.2(2) 5_676 . ?
C77 Co2 C75 111.2(2) . 5_676 ?
C77 Co2 C77 180.0 5_676 . ?
C111 Co3 C113 68.9(4) . . ?
C111 Co3 C115 40.9(3) . . ?
C111 Co3 Co3 138.8(3) . 2_656 ?
C111 Co3 C131 101.9(6) . 2_656 ?
C112 Co3 C111 41.0(3) . . ?
C112 Co3 C113 40.9(3) . . ?
C112 Co3 C115 68.9(4) . . ?
C112 Co3 Co3 162.8(3) . 2_656 ?
C112 Co3 C131 112.0(6) . 2_656 ?
C113 Co3 C115 68.8(4) . . ?
C113 Co3 Co3 150.9(3) . 2_656 ?
C113 Co3 C131 147.8(5) . 2_656 ?
C114 Co3 C111 68.8(4) . . ?
C114 Co3 C112 69.0(4) . . ?
C114 Co3 C113 41.0(3) . . ?
C114 Co3 C115 40.8(3) . . ?
C114 Co3 Co3 128.2(3) . 2_656 ?
C114 Co3 C131 165.4(6) . 2_656 ?
C115 Co3 Co3 123.1(3) . 2_656 ?
C115 Co3 C131 125.0(6) . 2_656 ?
C131 Co3 C111 122.4(6) . . ?
C131 Co3 C112 102.4(6) . . ?
C131 Co3 C113 115.7(6) . . ?
C131 Co3 C114 152.6(6) . . ?
C131 Co3 C115 161.8(7) . . ?
C131 Co3 Co3 51.6(5) 2_656 2_656 ?
C131 Co3 Co3 62.4(5) . 2_656 ?
C131 Co3 C131 41.9(10) . 2_656 ?
C132 Co3 C111 88.4(6) 2_656 . ?
C132 Co3 C111 166.9(6) . . ?
C132 Co3 C112 124.1(6) 2_656 . ?
C132 Co3 C112 126.8(6) . . ?
C132 Co3 C113 104.5(6) . . ?
C132 Co3 C113 155.1(6) 2_656 . ?
C132 Co3 C114 114.1(6) . . ?
C132 Co3 C114 122.0(6) 2_656 . ?
C132 Co3 C115 87.4(6) 2_656 . ?
C132 Co3 C115 148.7(6) . . ?
C132 Co3 Co3 50.4(5) 2_656 2_656 ?
C132 Co3 Co3 50.4(5) . 2_656 ?
C132 Co3 C131 77.6(8) . 2_656 ?
C132 Co3 C131 49.2(4) . . ?
C132 Co3 C131 84.7(8) 2_656 . ?
C132 Co3 C131 44.6(4) 2_656 2_656 ?
C132 Co3 C132 99.7(5) . 2_656 ?
C133 Co3 C111 134.1(4) . . ?
C133 Co3 C112 169.0(6) . . ?
C133 Co3 C113 131.5(5) . . ?
C133 Co3 C114 100.2(6) . . ?
C133 Co3 C115 101.6(5) . . ?
C133 Co3 Co3 28.1(5) . 2_656 ?
C133 Co3 C131 77.8(6) . 2_656 ?
C133 Co3 C131 88.3(6) . . ?
C133 Co3 C132 58.8(5) . 2_656 ?
C133 Co3 C132 58.9(5) . . ?
N2 C105 C106 178.5(8) . . ?
C162 N4 C162 43.2(12) 2_655 . ?
P2 O1 Th1 168.4(2) . . ?
P3 O2 Th1 166.8(2) . . ?
P4 O3 Th1 169.9(2) . . ?
P6 O4 Th1 166.3(2) . . ?
P1 O5 Th1 167.9(2) . . ?
P5 O6 Th1 167.4(2) . . ?
C1 P1 C19 112.9(2) . . ?
C1 P1 C25 110.4(2) . . ?
C19 P1 C25 105.7(2) . . ?
O5 P1 C1 113.0(2) . . ?
O5 P1 C19 108.47(19) . . ?
O5 P1 C25 106.0(2) . . ?
C3 P2 C37 113.6(2) . . ?
C3 P2 C49 112.4(2) . . ?
C37 P2 C49 103.6(2) . . ?
O1 P2 C3 112.4(2) . . ?
O1 P2 C37 108.1(2) . . ?
O1 P2 C49 106.1(2) . . ?
C4 P3 C67 111.3(2) . . ?
C4 P3 C00R 112.0(2) . . ?
C00R P3 C67 106.2(2) . . ?
O2 P3 C4 111.7(2) . . ?
O2 P3 C67 107.1(2) . . ?
O2 P3 C00R 108.2(2) . . ?
C6 P4 C31 110.6(2) . . ?
C6 P4 C43 113.1(2) . . ?
C31 P4 C43 104.5(2) . . ?
O3 P4 C6 112.2(2) . . ?
O3 P4 C31 106.7(2) . . ?
O3 P4 C43 109.4(2) . . ?
C2 P5 C55 114.2(2) . . ?
C2 P5 C61 107.8(2) . . ?
C55 P5 C61 104.3(2) . . ?
O6 P5 C2 113.3(2) . . ?
O6 P5 C55 108.8(2) . . ?
O6 P5 C61 107.9(2) . . ?
C5 P6 C8 110.6(2) . . ?
C5 P6 C13 113.0(2) . . ?
C13 P6 C8 106.5(2) . . ?
O4 P6 C5 112.6(2) . . ?
O4 P6 C8 106.1(2) . . ?
O4 P6 C13 107.6(2) . . ?
O1 Th1 O2 89.14(12) . . ?
O1 Th1 O3 84.15(12) . . ?
O1 Th1 O5 95.34(12) . . ?
O1 Th1 O6 94.91(11) . . ?
O2 Th1 O3 94.31(12) . . ?
O2 Th1 O5 170.23(11) . . ?
O2 Th1 O6 84.22(11) . . ?
O3 Th1 O5 94.78(11) . . ?
O3 Th1 O6 178.27(11) . . ?
O4 Th1 O1 171.16(12) . . ?
O4 Th1 O2 91.02(11) . . ?
O4 Th1 O3 87.03(11) . . ?
O4 Th1 O5 85.89(11) . . ?
O4 Th1 O6 93.89(11) . . ?
O6 Th1 O5 86.75(11) . . ?
Co3 C131 Co3 66.0(4) . 2_656 ?
C131 C131 Co3 60.0(8) 2_656 2_656 ?
C131 C131 Co3 78.1(10) 2_656 . ?
C131 C131 C132 110.4(9) 2_656 . ?
C131 C131 C134 130.2(8) 2_656 . ?
C132 C131 Co3 59.8(6) . . ?
C132 C131 Co3 53.3(6) . 2_656 ?
C134 C131 Co3 143.4(10) . . ?
C134 C131 Co3 144.0(11) . 2_656 ?
C134 C131 C132 115.1(15) . . ?
Co3 C132 Co3 79.2(5) . 2_656 ?
C131 C132 Co3 82.2(8) . 2_656 ?
C131 C132 Co3 71.0(8) . . ?
C131 C132 C133 94.9(9) . . ?
C133 C132 Co3 44.6(4) . . ?
C133 C132 Co3 44.6(4) . 2_656 ?
C135 C132 Co3 133.8(11) . . ?
C135 C132 Co3 132.5(12) . 2_656 ?
C135 C132 C131 134.6(13) . . ?
C135 C132 C133 130.0(9) . . ?
Co3 C133 Co3 123.8(10) 2_656 . ?
Co3 C133 C132 76.5(7) 2_656 . ?
Co3 C133 C132 76.5(7) 2_656 2_656 ?
Co3 C133 C132 76.5(7) . . ?
Co3 C133 C132 76.5(7) . 2_656 ?
Co3 C133 C136 118.1(5) 2_656 . ?
Co3 C133 C136 118.1(5) . . ?
C132 C133 C132 120.6(11) . 2_656 ?
C136 C133 C132 119.7(5) . 2_656 ?
C136 C133 C132 119.7(5) . . ?
C133 C136 Co3 28.06(16) . 2_656 ?
H10N C108 H10O 109.5 . . ?
H10N C108 H10P 109.5 . . ?
H10O C108 H10P 109.5 . . ?
C107 C108 H10N 109.5 . . ?
C107 C108 H10O 109.5 . . ?
C107 C108 H10P 109.5 . . ?
N1 C107 C108 177.6(11) . . ?

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
C182 O8 C183 C184 175.5(16) . . . . ?
C183 O8 C182 C181 178.1(16) . . . . ?
C111 C112 C113 C114 -0.7(7) . . . . ?
C111 C112 C113 C118 177.8(11) . . . . ?
C111 C112 C113 Co3 -59.4(4) . . . . ?
C111 Co3 C131 Co3 132.4(4) . . . 2_656 ?
C111 Co3 C131 C131 70.1(13) . . . 2_656 ?
C111 Co3 C131 C132 -167.5(7) . . . . ?
C111 Co3 C131 C134 -75(2) . . . . ?
C111 Co3 C132 Co3 139(2) . . . 2_656 ?
C111 Co3 C132 C131 54(3) . . . . ?
C111 Co3 C132 C133 172(2) . . . . ?
C111 Co3 C132 C135 -81(3) . . . . ?
C111 Co3 C133 Co3 -114.2(6) . . . 2_656 ?
C111 Co3 C133 C132 -177.5(7) . . . . ?
C111 Co3 C133 C132 -50.9(8) . . . 2_656 ?
C111 Co3 C133 C136 65.8(6) . . . . ?
C112 C111 C115 C114 0.3(8) . . . . ?
C112 C111 C115 C120 -176.9(10) . . . . ?
C112 C111 C115 Co3 59.0(5) . . . . ?
C112 C113 C114 C115 0.8(9) . . . . ?
C112 C113 C114 C119 176.4(11) . . . . ?
C112 C113 C114 Co3 -58.8(5) . . . . ?
C112 Co3 C131 Co3 171.4(4) . . . 2_656 ?
C112 Co3 C131 C131 109.2(11) . . . 2_656 ?
C112 Co3 C131 C132 -128.4(8) . . . . ?
C112 Co3 C131 C134 -36(2) . . . . ?
C112 Co3 C132 Co3 158.3(4) . . . 2_656 ?
C112 Co3 C132 C131 73.0(10) . . . . ?
C112 Co3 C132 C133 -168.6(7) . . . . ?
C112 Co3 C132 C135 -61.3(15) . . . . ?
C112 Co3 C133 Co3 -172.4(17) . . . 2_656 ?
C112 Co3 C133 C132 -109.1(18) . . . 2_656 ?
C112 Co3 C133 C132 124.3(18) . . . . ?
C112 Co3 C133 C136 7.6(17) . . . . ?
C113 C114 C115 C111 -0.7(9) . . . . ?
C113 C114 C115 C120 176.5(11) . . . . ?
C113 C114 C115 Co3 -59.5(6) . . . . ?
C113 Co3 C131 Co3 -147.4(4) . . . 2_656 ?
C113 Co3 C131 C131 150.4(10) . . . 2_656 ?
C113 Co3 C131 C132 -87.3(8) . . . . ?
C113 Co3 C131 C134 5(2) . . . . ?
C113 Co3 C132 Co3 -163.1(4) . . . 2_656 ?
C113 Co3 C132 C131 111.6(8) . . . . ?
C113 Co3 C132 C133 -130.0(6) . . . . ?
C113 Co3 C132 C135 -22.7(14) . . . . ?
C113 Co3 C133 Co3 145.1(5) . . . 2_656 ?
C113 Co3 C133 C132 -151.6(7) . . . 2_656 ?
C113 Co3 C133 C132 81.8(7) . . . . ?
C113 Co3 C133 C136 -34.9(5) . . . . ?
C114 Co3 C131 Co3 -120.5(11) . . . 2_656 ?
C114 Co3 C131 C131 177.2(8) . . . 2_656 ?
C114 Co3 C131 C132 -60.4(14) . . . . ?
C114 Co3 C131 C134 32(3) . . . . ?
C114 Co3 C132 Co3 -120.6(5) . . . 2_656 ?
C114 Co3 C132 C131 154.0(8) . . . . ?
C114 Co3 C132 C133 -87.6(7) . . . . ?
C114 Co3 C132 C135 19.7(15) . . . . ?
C114 Co3 C133 Co3 175.4(3) . . . 2_656 ?
C114 Co3 C133 C132 112.1(6) . . . . ?
C114 Co3 C133 C132 -121.3(6) . . . 2_656 ?
C114 Co3 C133 C136 -4.6(3) . . . . ?
C115 C111 C112 C113 0.3(7) . . . . ?
C115 C111 C112 C117 176.7(11) . . . . ?
C115 C111 C112 Co3 -59.2(5) . . . . ?
C115 Co3 C131 Co3 112.4(17) . . . 2_656 ?
C115 Co3 C131 C131 50(3) . . . 2_656 ?
C115 Co3 C131 C132 172.5(16) . . . . ?
C115 Co3 C131 C134 -95(3) . . . . ?
C115 Co3 C132 Co3 -90.1(11) . . . 2_656 ?
C115 Co3 C132 C131 -175.5(10) . . . . ?
C115 Co3 C132 C133 -57.1(13) . . . . ?
C115 Co3 C132 C135 50(2) . . . . ?
C115 Co3 C133 Co3 -143.1(3) . . . 2_656 ?
C115 Co3 C133 C132 153.6(6) . . . . ?
C115 Co3 C133 C132 -79.8(6) . . . 2_656 ?
C115 Co3 C133 C136 36.9(3) . . . . ?
C116 C111 C112 C113 -179.9(10) . . . . ?
C116 C111 C112 C117 -3.4(15) . . . . ?
C116 C111 C112 Co3 120.7(11) . . . . ?
C116 C111 C115 C114 -179.6(11) . . . . ?
C116 C111 C115 C120 3.2(17) . . . . ?
C116 C111 C115 Co3 -120.9(11) . . . . ?
C117 C112 C113 C114 -177.2(11) . . . . ?
C117 C112 C113 C118 1.3(15) . . . . ?
C117 C112 C113 Co3 124.1(11) . . . . ?
C118 C113 C114 C115 -177.6(12) . . . . ?
C118 C113 C114 C119 -2.0(18) . . . . ?
C118 C113 C114 Co3 122.8(12) . . . . ?
C119 C114 C115 C111 -176.2(12) . . . . ?
C119 C114 C115 C120 1.0(18) . . . . ?
C119 C114 C115 Co3 125.0(13) . . . . ?
B1 B3 B4 B2 20.2(5) . . . . ?
B1 B3 B4 B5 -84.9(4) . . . . ?
B1 B3 B4 B6 -36.4(5) . . . . ?
B1 B3 B4 C2 61.4(4) . . . . ?
B1 B3 B5 B4 120.3(4) . . . . ?
B1 B3 B5 B6 71.5(4) . . . . ?
B1 B3 B5 B7 -31.8(3) . . . . ?
B1 B3 B5 B8 9.6(5) . . . . ?
B1 B3 B7 B5 141.1(4) . . . . ?
B1 B3 B7 B8 101.6(4) . . . . ?
B1 B3 B7 B10 39.1(4) . . . . ?
B1 B3 C2 B2 -73.2(4) . . . . ?
B1 B3 C2 B4 -132.2(4) . . . . ?
B1 B3 C2 P5 106.1(4) . . . . ?
B1 B7 B8 B5 111.8(4) . . . . ?
B1 B7 B8 B6 69.8(5) . . . . ?
B1 B7 B8 B9 7.7(5) . . . . ?
B1 B7 B8 B10 -41.4(4) . . . . ?
B1 B7 B10 B8 134.3(4) . . . . ?
B1 B7 B10 B9 85.3(4) . . . . ?
B1 B7 B10 C1 28.6(4) . . . . ?
B1 B10 C1 B9 124.4(4) . . . . ?
B1 B10 C1 P1 -109.1(5) . . . . ?
B1 C1 P1 C19 -170.3(3) . . . . ?
B1 C1 P1 C25 -52.3(4) . . . . ?
B1 C1 P1 O5 66.1(4) . . . . ?
B2 B4 B5 B3 -83.6(4) . . . . ?
B2 B4 B5 B6 38.6(3) . . . . ?
B2 B4 B5 B7 -56.8(5) . . . . ?
B2 B4 B5 B8 12.6(5) . . . . ?
B2 B4 B6 B5 -133.7(4) . . . . ?
B2 B4 B6 B8 -109.2(4) . . . . ?
B2 B4 B6 B9 -40.9(4) . . . . ?
B2 B4 C2 B3 124.0(4) . . . . ?
B2 B4 C2 P5 -112.2(5) . . . . ?
B2 B6 B8 B5 -94.2(5) . . . . ?
B2 B6 B8 B7 -52.8(5) . . . . ?
B2 B6 B8 B9 39.9(4) . . . . ?
B2 B6 B8 B10 12.1(6) . . . . ?
B2 B6 B9 B8 -141.1(4) . . . . ?
B2 B6 B9 B10 -116.3(4) . . . . ?
B2 B6 B9 C1 -56.8(5) . . . . ?
B2 B9 B10 B1 20.6(5) . . . . ?
B2 B9 B10 B7 -36.3(5) . . . . ?
B2 B9 B10 B8 -84.8(4) . . . . ?
B2 B9 B10 C1 61.6(4) . . . . ?
B2 B9 C1 B1 -73.9(4) . . . . ?
B2 B9 C1 B10 -131.8(4) . . . . ?
B2 B9 C1 P1 107.6(4) . . . . ?
B2 C2 P5 C55 -152.7(4) . . . . ?
B2 C2 P5 C61 -37.3(4) . . . . ?
B2 C2 P5 O6 82.0(4) . . . . ?
B3 B1 B7 B5 -38.5(4) . . . . ?
B3 B1 B7 B8 -100.8(4) . . . . ?
B3 B1 B7 B10 -140.5(4) . . . . ?
B3 B1 B10 B7 34.7(3) . . . . ?
B3 B1 B10 B8 -5.5(5) . . . . ?
B3 B1 B10 B9 -66.4(4) . . . . ?
B3 B1 B10 C1 -109.3(4) . . . . ?
B3 B1 C1 B9 38.0(5) . . . . ?
B3 B1 C1 B10 95.3(4) . . . . ?
B3 B1 C1 P1 -143.2(3) . . . . ?
B3 B4 B5 B6 122.1(4) . . . . ?
B3 B4 B5 B7 26.7(4) . . . . ?
B3 B4 B5 B8 96.2(5) . . . . ?
B3 B4 B6 B2 84.8(4) . . . . ?
B3 B4 B6 B5 -49.0(3) . . . . ?
B3 B4 B6 B8 -24.5(5) . . . . ?
B3 B4 B6 B9 43.9(5) . . . . ?
B3 B4 C2 B2 -124.0(4) . . . . ?
B3 B4 C2 P5 123.9(5) . . . . ?
B3 B5 B6 B2 7.3(5) . . . . ?
B3 B5 B6 B4 49.5(3) . . . . ?
B3 B5 B6 B8 -103.5(4) . . . . ?
B3 B5 B6 B9 -62.3(4) . . . . ?
B3 B5 B7 B1 40.4(4) . . . . ?
B3 B5 B7 B8 134.0(4) . . . . ?
B3 B5 B7 B10 109.5(4) . . . . ?
B3 B5 B8 B6 92.6(4) . . . . ?
B3 B5 B8 B7 -40.5(3) . . . . ?
B3 B5 B8 B9 51.7(5) . . . . ?
B3 B5 B8 B10 -14.7(5) . . . . ?
B3 B7 B8 B5 41.5(4) . . . . ?
B3 B7 B8 B6 -0.5(5) . . . . ?
B3 B7 B8 B9 -62.6(4) . . . . ?
B3 B7 B8 B10 -111.7(4) . . . . ?
B3 B7 B10 B1 -41.0(4) . . . . ?
B3 B7 B10 B8 93.3(5) . . . . ?
B3 B7 B10 B9 44.3(5) . . . . ?
B3 B7 B10 C1 -12.4(6) . . . . ?
B3 C2 P5 C55 28.0(5) . . . . ?
B3 C2 P5 C61 143.3(4) . . . . ?
B3 C2 P5 O6 -97.4(4) . . . . ?
B4 B2 B6 B5 40.1(4) . . . . ?
B4 B2 B6 B8 102.3(5) . . . . ?
B4 B2 B6 B9 140.3(4) . . . . ?
B4 B2 C2 B3 -58.2(4) . . . . ?
B4 B2 C2 P5 122.3(4) . . . . ?
B4 B3 B5 B6 -48.7(3) . . . . ?
B4 B3 B5 B7 -152.1(4) . . . . ?
B4 B3 B5 B8 -110.7(4) . . . . ?
B4 B3 B7 B1 -116.6(4) . . . . ?
B4 B3 B7 B5 24.5(4) . . . . ?
B4 B3 B7 B8 -15.0(5) . . . . ?
B4 B3 B7 B10 -77.5(5) . . . . ?
B4 B3 C2 B2 59.0(4) . . . . ?
B4 B3 C2 P5 -121.6(5) . . . . ?
B4 B5 B6 B2 -42.2(4) . . . . ?
B4 B5 B6 B8 -153.0(4) . . . . ?
B4 B5 B6 B9 -111.8(4) . . . . ?
B4 B5 B7 B1 13.0(6) . . . . ?
B4 B5 B7 B3 -27.4(4) . . . . ?
B4 B5 B7 B8 106.6(5) . . . . ?
B4 B5 B7 B10 82.1(5) . . . . ?
B4 B5 B8 B6 26.1(4) . . . . ?
B4 B5 B8 B7 -107.0(5) . . . . ?
B4 B5 B8 B9 -14.8(6) . . . . ?
B4 B5 B8 B10 -81.2(5) . . . . ?
B4 B6 B8 B5 -24.6(4) . . . . ?
B4 B6 B8 B7 16.7(5) . . . . ?
B4 B6 B8 B9 109.4(4) . . . . ?
B4 B6 B8 B10 81.6(5) . . . . ?
B4 B6 B9 B2 39.5(4) . . . . ?
B4 B6 B9 B8 -101.7(5) . . . . ?
B4 B6 B9 B10 -76.8(5) . . . . ?
B4 B6 B9 C1 -17.3(7) . . . . ?
B4 C2 P5 C55 -65.2(5) . . . . ?
B4 C2 P5 C61 50.2(5) . . . . ?
B4 C2 P5 O6 169.5(4) . . . . ?
B5 B3 B4 B2 105.1(4) . . . . ?
B5 B3 B4 B6 48.5(3) . . . . ?
B5 B3 B4 C2 146.4(4) . . . . ?
B5 B3 B7 B1 -141.1(4) . . . . ?
B5 B3 B7 B8 -39.5(4) . . . . ?
B5 B3 B7 B10 -102.1(5) . . . . ?
B5 B3 C2 B2 30.5(5) . . . . ?
B5 B3 C2 B4 -28.5(4) . . . . ?
B5 B3 C2 P5 -150.1(4) . . . . ?
B5 B4 B6 B2 133.7(4) . . . . ?
B5 B4 B6 B8 24.5(4) . . . . ?
B5 B4 B6 B9 92.9(4) . . . . ?
B5 B4 C2 B2 -93.0(4) . . . . ?
B5 B4 C2 B3 30.9(4) . . . . ?
B5 B4 C2 P5 154.8(4) . . . . ?
B5 B6 B8 B7 41.3(4) . . . . ?
B5 B6 B8 B9 134.1(4) . . . . ?
B5 B6 B8 B10 106.2(5) . . . . ?
B5 B6 B9 B2 101.8(4) . . . . ?
B5 B6 B9 B8 -39.4(3) . . . . ?
B5 B6 B9 B10 -14.5(5) . . . . ?
B5 B6 B9 C1 45.0(6) . . . . ?
B5 B7 B8 B6 -42.0(4) . . . . ?
B5 B7 B8 B9 -104.0(4) . . . . ?
B5 B7 B8 B10 -153.2(4) . . . . ?
B5 B7 B10 B1 -109.9(4) . . . . ?
B5 B7 B10 B8 24.4(4) . . . . ?
B5 B7 B10 B9 -24.6(5) . . . . ?
B5 B7 B10 C1 -81.3(5) . . . . ?
B5 B8 B9 B2 9.7(5) . . . . ?
B5 B8 B9 B6 41.4(4) . . . . ?
B5 B8 B9 B10 -110.2(4) . . . . ?
B5 B8 B9 C1 -82.5(5) . . . . ?
B5 B8 B10 B1 12.7(5) . . . . ?
B5 B8 B10 B7 -25.7(4) . . . . ?
B5 B8 B10 B9 96.7(4) . . . . ?
B5 B8 B10 C1 67.7(5) . . . . ?
B6 B2 B4 B3 -101.1(4) . . . . ?
B6 B2 B4 B5 -40.4(4) . . . . ?
B6 B2 B4 C2 -144.1(4) . . . . ?
B6 B2 C2 B3 -26.0(5) . . . . ?
B6 B2 C2 B4 32.2(4) . . . . ?
B6 B2 C2 P5 154.5(3) . . . . ?
B6 B4 B5 B3 -122.1(4) . . . . ?
B6 B4 B5 B7 -95.4(5) . . . . ?
B6 B4 B5 B8 -26.0(4) . . . . ?
B6 B4 C2 B2 -30.2(4) . . . . ?
B6 B4 C2 B3 93.8(4) . . . . ?
B6 B4 C2 P5 -142.3(4) . . . . ?
B6 B5 B7 B1 -52.1(5) . . . . ?
B6 B5 B7 B3 -92.5(4) . . . . ?
B6 B5 B7 B8 41.5(4) . . . . ?
B6 B5 B7 B10 17.0(5) . . . . ?
B6 B5 B8 B7 -133.1(4) . . . . ?
B6 B5 B8 B9 -40.9(4) . . . . ?
B6 B5 B8 B10 -107.3(5) . . . . ?
B6 B8 B9 B2 -31.7(3) . . . . ?
B6 B8 B9 B10 -151.6(4) . . . . ?
B6 B8 B9 C1 -123.9(4) . . . . ?
B6 B8 B10 B1 -56.5(5) . . . . ?
B6 B8 B10 B7 -94.9(4) . . . . ?
B6 B8 B10 B9 27.4(4) . . . . ?
B6 B8 B10 C1 -1.5(6) . . . . ?
B6 B9 B10 B1 80.2(4) . . . . ?
B6 B9 B10 B7 23.3(5) . . . . ?
B6 B9 B10 B8 -25.2(4) . . . . ?
B6 B9 B10 C1 121.2(4) . . . . ?
B6 B9 C1 B1 -30.9(6) . . . . ?
B6 B9 C1 B10 -88.8(5) . . . . ?
B6 B9 C1 P1 150.6(4) . . . . ?
B7 B1 B10 B8 -40.1(4) . . . . ?
B7 B1 B10 B9 -101.1(4) . . . . ?
B7 B1 B10 C1 -144.0(4) . . . . ?
B7 B1 C1 B9 -24.7(5) . . . . ?
B7 B1 C1 B10 32.6(4) . . . . ?
B7 B1 C1 P1 154.1(3) . . . . ?
B7 B3 B4 B2 80.2(4) . . . . ?
B7 B3 B4 B5 -24.9(4) . . . . ?
B7 B3 B4 B6 23.6(4) . . . . ?
B7 B3 B4 C2 121.5(4) . . . . ?
B7 B3 B5 B4 152.1(4) . . . . ?
B7 B3 B5 B6 103.4(4) . . . . ?
B7 B3 B5 B8 41.4(4) . . . . ?
B7 B3 C2 B2 -30.0(7) . . . . ?
B7 B3 C2 B4 -89.0(5) . . . . ?
B7 B3 C2 P5 149.4(4) . . . . ?
B7 B5 B6 B2 68.6(5) . . . . ?
B7 B5 B6 B4 110.9(4) . . . . ?
B7 B5 B6 B8 -42.2(4) . . . . ?
B7 B5 B6 B9 -1.0(5) . . . . ?
B7 B5 B8 B6 133.1(4) . . . . ?
B7 B5 B8 B9 92.2(4) . . . . ?
B7 B5 B8 B10 25.8(4) . . . . ?
B7 B8 B9 B2 71.5(4) . . . . ?
B7 B8 B9 B6 103.2(4) . . . . ?
B7 B8 B9 B10 -48.5(3) . . . . ?
B7 B8 B9 C1 -20.7(5) . . . . ?
B7 B8 B10 B1 38.4(3) . . . . ?
B7 B8 B10 B9 122.3(4) . . . . ?
B7 B8 B10 C1 93.4(4) . . . . ?
B7 B10 C1 B1 -30.4(4) . . . . ?
B7 B10 C1 B9 94.0(4) . . . . ?
B7 B10 C1 P1 -139.5(4) . . . . ?
B8 B5 B6 B2 110.8(4) . . . . ?
B8 B5 B6 B4 153.0(4) . . . . ?
B8 B5 B6 B9 41.2(4) . . . . ?
B8 B5 B7 B1 -93.6(5) . . . . ?
B8 B5 B7 B3 -134.0(4) . . . . ?
B8 B5 B7 B10 -24.5(4) . . . . ?
B8 B6 B9 B2 141.1(4) . . . . ?
B8 B6 B9 B10 24.9(4) . . . . ?
B8 B6 B9 C1 84.3(5) . . . . ?
B8 B7 B10 B1 -134.3(4) . . . . ?
B8 B7 B10 B9 -49.0(3) . . . . ?
B8 B7 B10 C1 -105.7(4) . . . . ?
B8 B9 B10 B1 105.4(4) . . . . ?
B8 B9 B10 B7 48.5(3) . . . . ?
B8 B9 B10 C1 146.4(4) . . . . ?
B8 B9 C1 B1 29.4(5) . . . . ?
B8 B9 C1 B10 -28.5(4) . . . . ?
B8 B9 C1 P1 -149.2(4) . . . . ?
B8 B10 C1 B1 -93.3(4) . . . . ?
B8 B10 C1 B9 31.1(4) . . . . ?
B8 B10 C1 P1 157.5(4) . . . . ?
B9 B2 B4 B3 -66.0(4) . . . . ?
B9 B2 B4 B5 -5.3(5) . . . . ?
B9 B2 B4 B6 35.2(4) . . . . ?
B9 B2 B4 C2 -108.9(4) . . . . ?
B9 B2 B6 B4 -140.3(4) . . . . ?
B9 B2 B6 B5 -100.3(4) . . . . ?
B9 B2 B6 B8 -38.1(4) . . . . ?
B9 B2 C2 B3 37.2(6) . . . . ?
B9 B2 C2 B4 95.4(4) . . . . ?
B9 B2 C2 P5 -142.2(3) . . . . ?
B9 B6 B8 B5 -134.1(4) . . . . ?
B9 B6 B8 B7 -92.7(4) . . . . ?
B9 B6 B8 B10 -27.8(4) . . . . ?
B9 B8 B10 B1 -84.0(4) . . . . ?
B9 B8 B10 B7 -122.3(4) . . . . ?
B9 B8 B10 C1 -29.0(4) . . . . ?
B9 B10 C1 B1 -124.4(4) . . . . ?
B9 B10 C1 P1 126.5(5) . . . . ?
B9 C1 P1 C19 8.2(5) . . . . ?
B9 C1 P1 C25 126.2(4) . . . . ?
B9 C1 P1 O5 -115.4(4) . . . . ?
B10 B1 B7 B3 140.5(4) . . . . ?
B10 B1 B7 B5 102.0(5) . . . . ?
B10 B1 B7 B8 39.7(4) . . . . ?
B10 B1 C1 B9 -57.3(4) . . . . ?
B10 B1 C1 P1 121.5(4) . . . . ?
B10 B7 B8 B5 153.2(4) . . . . ?
B10 B7 B8 B6 111.2(4) . . . . ?
B10 B7 B8 B9 49.2(3) . . . . ?
B10 B8 B9 B2 119.9(4) . . . . ?
B10 B8 B9 B6 151.6(4) . . . . ?
B10 B8 B9 C1 27.7(3) . . . . ?
B10 B9 C1 B1 57.9(4) . . . . ?
B10 B9 C1 P1 -120.7(5) . . . . ?
B10 C1 P1 C19 -85.6(4) . . . . ?
B10 C1 P1 C25 32.4(5) . . . . ?
B10 C1 P1 O5 150.9(4) . . . . ?
B11 B14 B15 B13 -83.3(4) . . . . ?
B11 B14 B15 B16 38.0(3) . . . . ?
B11 B14 B15 B17 -56.9(5) . . . . ?
B11 B14 B15 B18 12.7(5) . . . . ?
B11 B14 B16 B15 -134.5(4) . . . . ?
B11 B14 B16 B18 -110.1(4) . . . . ?
B11 B14 B16 B19 -41.4(4) . . . . ?
B11 B14 C5 B13 123.6(4) . . . . ?
B11 B14 C5 P6 -110.2(5) . . . . ?
B11 B16 B18 B15 -94.6(5) . . . . ?
B11 B16 B18 B17 -53.4(6) . . . . ?
B11 B16 B18 B19 39.2(4) . . . . ?
B11 B16 B18 B20 11.8(7) . . . . ?
B11 B16 B19 B18 -142.3(4) . . . . ?
B11 B16 B19 B20 -117.6(4) . . . . ?
B11 B16 B19 C6 -57.3(5) . . . . ?
B11 B19 B20 B12 20.0(5) . . . . ?
B11 B19 B20 B17 -36.6(5) . . . . ?
B11 B19 B20 B18 -85.2(5) . . . . ?
B11 B19 B20 C6 60.8(4) . . . . ?
B11 B19 C6 B12 -74.1(4) . . . . ?
B11 B19 C6 B20 -133.2(4) . . . . ?
B11 B19 C6 P4 102.8(4) . . . . ?
B11 C5 P6 C8 -48.8(4) . . . . ?
B11 C5 P6 C13 -168.1(3) . . . . ?
B11 C5 P6 O4 69.7(4) . . . . ?
B12 B13 B14 B11 20.9(5) . . . . ?
B12 B13 B14 B15 -84.5(5) . . . . ?
B12 B13 B14 B16 -35.7(5) . . . . ?
B12 B13 B14 C5 62.2(4) . . . . ?
B12 B13 B15 B14 121.0(4) . . . . ?
B12 B13 B15 B16 71.7(4) . . . . ?
B12 B13 B15 B17 -31.7(3) . . . . ?
B12 B13 B15 B18 10.3(5) . . . . ?
B12 B13 B17 B15 141.4(4) . . . . ?
B12 B13 B17 B18 101.5(4) . . . . ?
B12 B13 B17 B20 39.4(4) . . . . ?
B12 B13 C5 B11 -72.9(4) . . . . ?
B12 B13 C5 B14 -132.2(4) . . . . ?
B12 B13 C5 P6 109.6(4) . . . . ?
B12 B17 B18 B15 111.1(4) . . . . ?
B12 B17 B18 B16 69.3(5) . . . . ?
B12 B17 B18 B19 7.3(5) . . . . ?
B12 B17 B18 B20 -42.2(4) . . . . ?
B12 B17 B20 B18 133.6(4) . . . . ?
B12 B17 B20 B19 84.7(4) . . . . ?
B12 B17 B20 C6 28.6(3) . . . . ?
B12 B20 C6 B19 124.2(4) . . . . ?
B12 B20 C6 P4 -114.6(5) . . . . ?
B12 C6 P4 C31 -40.7(4) . . . . ?
B12 C6 P4 C43 -157.4(4) . . . . ?
B12 C6 P4 O3 78.3(4) . . . . ?
B13 B12 B17 B15 -37.9(4) . . . . ?
B13 B12 B17 B18 -100.1(4) . . . . ?
B13 B12 B17 B20 -140.1(4) . . . . ?
B13 B12 B20 B17 35.3(3) . . . . ?
B13 B12 B20 B18 -5.2(5) . . . . ?
B13 B12 B20 B19 -65.6(4) . . . . ?
B13 B12 B20 C6 -108.4(4) . . . . ?
B13 B12 C6 B19 37.7(5) . . . . ?
B13 B12 C6 B20 95.6(4) . . . . ?
B13 B12 C6 P4 -139.4(3) . . . . ?
B13 B14 B15 B16 121.3(4) . . . . ?
B13 B14 B15 B17 26.4(4) . . . . ?
B13 B14 B15 B18 96.0(4) . . . . ?
B13 B14 B16 B11 84.8(4) . . . . ?
B13 B14 B16 B15 -49.7(3) . . . . ?
B13 B14 B16 B18 -25.3(5) . . . . ?
B13 B14 B16 B19 43.4(5) . . . . ?
B13 B14 C5 B11 -123.6(4) . . . . ?
B13 B14 C5 P6 126.3(5) . . . . ?
B13 B15 B16 B11 8.0(5) . . . . ?
B13 B15 B16 B14 49.8(3) . . . . ?
B13 B15 B16 B18 -103.7(4) . . . . ?
B13 B15 B16 B19 -62.4(4) . . . . ?
B13 B15 B17 B12 39.5(4) . . . . ?
B13 B15 B17 B18 133.3(4) . . . . ?
B13 B15 B17 B20 108.9(4) . . . . ?
B13 B15 B18 B16 91.9(4) . . . . ?
B13 B15 B18 B17 -41.3(4) . . . . ?
B13 B15 B18 B19 50.9(5) . . . . ?
B13 B15 B18 B20 -15.4(6) . . . . ?
B13 B17 B18 B15 41.9(4) . . . . ?
B13 B17 B18 B16 0.0(5) . . . . ?
B13 B17 B18 B19 -62.0(4) . . . . ?
B13 B17 B18 B20 -111.4(4) . . . . ?
B13 B17 B20 B12 -40.8(4) . . . . ?
B13 B17 B20 B18 92.8(4) . . . . ?
B13 B17 B20 B19 43.9(5) . . . . ?
B13 B17 B20 C6 -12.2(5) . . . . ?
B13 C5 P6 C8 128.7(4) . . . . ?
B13 C5 P6 C13 9.4(5) . . . . ?
B13 C5 P6 O4 -112.7(4) . . . . ?
B14 B11 B16 B15 39.7(4) . . . . ?
B14 B11 B16 B18 102.9(5) . . . . ?
B14 B11 B16 B19 140.1(4) . . . . ?
B14 B11 C5 B13 -58.3(4) . . . . ?
B14 B11 C5 P6 119.7(4) . . . . ?
B14 B13 B15 B16 -49.3(4) . . . . ?
B14 B13 B15 B17 -152.7(4) . . . . ?
B14 B13 B15 B18 -110.7(4) . . . . ?
B14 B13 B17 B12 -117.5(4) . . . . ?
B14 B13 B17 B15 23.9(4) . . . . ?
B14 B13 B17 B18 -16.0(5) . . . . ?
B14 B13 B17 B20 -78.1(5) . . . . ?
B14 B13 C5 B11 59.4(4) . . . . ?
B14 B13 C5 P6 -118.2(5) . . . . ?
B14 B15 B16 B11 -41.8(4) . . . . ?
B14 B15 B16 B18 -153.5(4) . . . . ?
B14 B15 B16 B19 -112.2(4) . . . . ?
B14 B15 B17 B12 12.7(6) . . . . ?
B14 B15 B17 B13 -26.8(4) . . . . ?
B14 B15 B17 B18 106.5(5) . . . . ?
B14 B15 B17 B20 82.1(5) . . . . ?
B14 B15 B18 B16 25.7(4) . . . . ?
B14 B15 B18 B17 -107.5(4) . . . . ?
B14 B15 B18 B19 -15.3(5) . . . . ?
B14 B15 B18 B20 -81.6(5) . . . . ?
B14 B16 B18 B15 -24.3(4) . . . . ?
B14 B16 B18 B17 16.9(5) . . . . ?
B14 B16 B18 B19 109.5(4) . . . . ?
B14 B16 B18 B20 82.1(5) . . . . ?
B14 B16 B19 B11 39.9(4) . . . . ?
B14 B16 B19 B18 -102.4(5) . . . . ?
B14 B16 B19 B20 -77.7(5) . . . . ?
B14 B16 B19 C6 -17.4(7) . . . . ?
B14 C5 P6 C8 36.6(5) . . . . ?
B14 C5 P6 C13 -82.7(4) . . . . ?
B14 C5 P6 O4 155.1(4) . . . . ?
B15 B13 B14 B11 105.4(4) . . . . ?
B15 B13 B14 B16 48.8(4) . . . . ?
B15 B13 B14 C5 146.7(4) . . . . ?
B15 B13 B17 B12 -141.4(4) . . . . ?
B15 B13 B17 B18 -40.0(4) . . . . ?
B15 B13 B17 B20 -102.0(4) . . . . ?
B15 B13 C5 B11 31.2(5) . . . . ?
B15 B13 C5 B14 -28.2(4) . . . . ?
B15 B13 C5 P6 -146.4(4) . . . . ?
B15 B14 B16 B11 134.5(4) . . . . ?
B15 B14 B16 B18 24.4(4) . . . . ?
B15 B14 B16 B19 93.0(4) . . . . ?
B15 B14 C5 B11 -92.7(4) . . . . ?
B15 B14 C5 B13 30.8(4) . . . . ?
B15 B14 C5 P6 157.1(4) . . . . ?
B15 B16 B18 B17 41.2(4) . . . . ?
B15 B16 B18 B19 133.9(4) . . . . ?
B15 B16 B18 B20 106.5(5) . . . . ?
B15 B16 B19 B11 102.5(4) . . . . ?
B15 B16 B19 B18 -39.9(4) . . . . ?
B15 B16 B19 B20 -15.1(5) . . . . ?
B15 B16 B19 C6 45.2(6) . . . . ?
B15 B17 B18 B16 -41.9(4) . . . . ?
B15 B17 B18 B19 -103.9(4) . . . . ?
B15 B17 B18 B20 -153.3(4) . . . . ?
B15 B17 B20 B12 -109.3(4) . . . . ?
B15 B17 B20 B18 24.3(4) . . . . ?
B15 B17 B20 B19 -24.6(5) . . . . ?
B15 B17 B20 C6 -80.7(4) . . . . ?
B15 B18 B19 B11 10.5(4) . . . . ?
B15 B18 B19 B16 41.4(4) . . . . ?
B15 B18 B19 B20 -110.6(4) . . . . ?
B15 B18 B19 C6 -82.4(4) . . . . ?
B15 B18 B20 B12 13.0(5) . . . . ?
B15 B18 B20 B17 -25.6(4) . . . . ?
B15 B18 B20 B19 96.3(5) . . . . ?
B15 B18 B20 C6 67.3(5) . . . . ?
B16 B11 B14 B13 -100.7(4) . . . . ?
B16 B11 B14 B15 -39.7(3) . . . . ?
B16 B11 B14 C5 -144.0(4) . . . . ?
B16 B11 C5 B13 -26.1(5) . . . . ?
B16 B11 C5 B14 32.1(4) . . . . ?
B16 B11 C5 P6 151.8(3) . . . . ?
B16 B14 B15 B13 -121.3(4) . . . . ?
B16 B14 B15 B17 -94.9(5) . . . . ?
B16 B14 B15 B18 -25.4(4) . . . . ?
B16 B14 C5 B11 -30.2(4) . . . . ?
B16 B14 C5 B13 93.4(4) . . . . ?
B16 B14 C5 P6 -140.4(4) . . . . ?
B16 B15 B17 B12 -52.6(5) . . . . ?
B16 B15 B17 B13 -92.1(4) . . . . ?
B16 B15 B17 B18 41.2(4) . . . . ?
B16 B15 B17 B20 16.8(5) . . . . ?
B16 B15 B18 B17 -133.2(4) . . . . ?
B16 B15 B18 B19 -41.0(3) . . . . ?
B16 B15 B18 B20 -107.3(5) . . . . ?
B16 B18 B19 B11 -31.0(3) . . . . ?
B16 B18 B19 B20 -152.1(4) . . . . ?
B16 B18 B19 C6 -123.8(4) . . . . ?
B16 B18 B20 B12 -56.3(5) . . . . ?
B16 B18 B20 B17 -94.9(5) . . . . ?
B16 B18 B20 B19 27.0(4) . . . . ?
B16 B18 B20 C6 -1.9(6) . . . . ?
B16 B19 B20 B12 80.2(4) . . . . ?
B16 B19 B20 B17 23.7(4) . . . . ?
B16 B19 B20 B18 -24.9(4) . . . . ?
B16 B19 B20 C6 121.1(5) . . . . ?
B16 B19 C6 B12 -30.7(7) . . . . ?
B16 B19 C6 B20 -89.8(5) . . . . ?
B16 B19 C6 P4 146.2(4) . . . . ?
B17 B12 B20 B18 -40.4(4) . . . . ?
B17 B12 B20 B19 -100.9(4) . . . . ?
B17 B12 B20 C6 -143.6(4) . . . . ?
B17 B12 C6 B19 -25.3(5) . . . . ?
B17 B12 C6 B20 32.6(4) . . . . ?
B17 B12 C6 P4 157.6(3) . . . . ?
B17 B13 B14 B11 81.1(4) . . . . ?
B17 B13 B14 B15 -24.3(4) . . . . ?
B17 B13 B14 B16 24.5(5) . . . . ?
B17 B13 B14 C5 122.5(5) . . . . ?
B17 B13 B15 B14 152.7(4) . . . . ?
B17 B13 B15 B16 103.4(4) . . . . ?
B17 B13 B15 B18 42.0(4) . . . . ?
B17 B13 C5 B11 -29.0(6) . . . . ?
B17 B13 C5 B14 -88.3(5) . . . . ?
B17 B13 C5 P6 153.5(4) . . . . ?
B17 B15 B16 B11 69.7(5) . . . . ?
B17 B15 B16 B14 111.5(4) . . . . ?
B17 B15 B16 B18 -42.0(4) . . . . ?
B17 B15 B16 B19 -0.7(5) . . . . ?
B17 B15 B18 B16 133.2(4) . . . . ?
B17 B15 B18 B19 92.2(4) . . . . ?
B17 B15 B18 B20 25.9(4) . . . . ?
B17 B18 B19 B11 72.1(4) . . . . ?
B17 B18 B19 B16 103.1(4) . . . . ?
B17 B18 B19 B20 -49.0(3) . . . . ?
B17 B18 B19 C6 -20.7(5) . . . . ?
B17 B18 B20 B12 38.6(3) . . . . ?
B17 B18 B20 B19 121.9(4) . . . . ?
B17 B18 B20 C6 93.0(4) . . . . ?
B17 B20 C6 B12 -30.5(3) . . . . ?
B17 B20 C6 B19 93.7(4) . . . . ?
B17 B20 C6 P4 -145.1(4) . . . . ?
B18 B15 B16 B11 111.7(4) . . . . ?
B18 B15 B16 B14 153.5(4) . . . . ?
B18 B15 B16 B19 41.4(4) . . . . ?
B18 B15 B17 B12 -93.8(5) . . . . ?
B18 B15 B17 B13 -133.3(4) . . . . ?
B18 B15 B17 B20 -24.4(4) . . . . ?
B18 B16 B19 B11 142.3(4) . . . . ?
B18 B16 B19 B20 24.7(4) . . . . ?
B18 B16 B19 C6 85.0(5) . . . . ?
B18 B17 B20 B12 -133.6(4) . . . . ?
B18 B17 B20 B19 -48.9(3) . . . . ?
B18 B17 B20 C6 -105.0(4) . . . . ?
B18 B19 B20 B12 105.2(4) . . . . ?
B18 B19 B20 B17 48.6(3) . . . . ?
B18 B19 B20 C6 146.0(4) . . . . ?
B18 B19 C6 B12 30.0(5) . . . . ?
B18 B19 C6 B20 -29.1(4) . . . . ?
B18 B19 C6 P4 -153.1(4) . . . . ?
B18 B20 C6 B12 -93.1(4) . . . . ?
B18 B20 C6 B19 31.1(4) . . . . ?
B18 B20 C6 P4 152.3(4) . . . . ?
B19 B11 B14 B13 -65.9(4) . . . . ?
B19 B11 B14 B15 -4.9(4) . . . . ?
B19 B11 B14 B16 34.8(3) . . . . ?
B19 B11 B14 C5 -109.2(4) . . . . ?
B19 B11 B16 B14 -140.1(4) . . . . ?
B19 B11 B16 B15 -100.4(4) . . . . ?
B19 B11 B16 B18 -37.3(4) . . . . ?
B19 B11 C5 B13 36.2(5) . . . . ?
B19 B11 C5 B14 94.5(4) . . . . ?
B19 B11 C5 P6 -145.8(3) . . . . ?
B19 B16 B18 B15 -133.9(4) . . . . ?
B19 B16 B18 B17 -92.6(4) . . . . ?
B19 B16 B18 B20 -27.4(4) . . . . ?
B19 B18 B20 B12 -83.3(4) . . . . ?
B19 B18 B20 B17 -121.9(4) . . . . ?
B19 B18 B20 C6 -29.0(4) . . . . ?
B19 B20 C6 B12 -124.2(4) . . . . ?
B19 B20 C6 P4 121.2(5) . . . . ?
B19 C6 P4 C31 142.6(4) . . . . ?
B19 C6 P4 C43 25.9(5) . . . . ?
B19 C6 P4 O3 -98.4(4) . . . . ?
B20 B12 B17 B13 140.1(4) . . . . ?
B20 B12 B17 B15 102.2(5) . . . . ?
B20 B12 B17 B18 40.0(3) . . . . ?
B20 B12 C6 B19 -57.9(4) . . . . ?
B20 B12 C6 P4 124.9(4) . . . . ?
B20 B17 B18 B15 153.3(4) . . . . ?
B20 B17 B18 B16 111.4(4) . . . . ?
B20 B17 B18 B19 49.4(3) . . . . ?
B20 B18 B19 B11 121.1(4) . . . . ?
B20 B18 B19 B16 152.1(4) . . . . ?
B20 B18 B19 C6 28.2(4) . . . . ?
B20 B19 C6 B12 59.1(4) . . . . ?
B20 B19 C6 P4 -124.0(5) . . . . ?
B20 C6 P4 C31 49.9(5) . . . . ?
B20 C6 P4 C43 -66.9(5) . . . . ?
B20 C6 P4 O3 168.9(4) . . . . ?
B21 B22 B23 B25 41.2(5) . . . . ?
B21 B22 B23 B26 134.4(4) . . . . ?
B21 B22 B23 B27 110.4(5) . . . . ?
B21 B22 B24 B26 -105.2(4) . . . . ?
B21 B22 B24 B28 -81.0(4) . . . . ?
B21 B22 B24 B30 -22.1(5) . . . . ?
B21 B22 B24 C4 40.5(3) . . . . ?
B21 B22 B26 B23 -38.2(4) . . . . ?
B21 B22 B26 B24 83.9(4) . . . . ?
B21 B22 B26 B27 -12.8(6) . . . . ?
B21 B22 B26 B28 57.2(6) . . . . ?
B21 B22 C4 B24 -125.3(4) . . . . ?
B21 B22 C4 P3 115.4(5) . . . . ?
B21 B23 B25 B27 141.6(5) . . . . ?
B21 B23 B25 B29 117.4(4) . . . . ?
B21 B23 B25 C3 58.6(6) . . . . ?
B21 B23 B26 B22 41.6(4) . . . . ?
B21 B23 B26 B24 -7.9(5) . . . . ?
B21 B23 B26 B27 -112.2(5) . . . . ?
B21 B23 B26 B28 -69.9(5) . . . . ?
B21 B23 B27 B25 -40.5(5) . . . . ?
B21 B23 B27 B26 94.0(6) . . . . ?
B21 B23 B27 B28 52.9(7) . . . . ?
B21 B23 B27 B29 -12.3(8) . . . . ?
B21 B25 B27 B23 31.0(4) . . . . ?
B21 B25 B27 B26 -9.7(5) . . . . ?
B21 B25 B27 B28 -71.3(4) . . . . ?
B21 B25 B27 B29 -120.7(4) . . . . ?
B21 B25 B29 B27 83.2(5) . . . . ?
B21 B25 B29 B28 34.0(6) . . . . ?
B21 B25 B29 B30 -22.2(5) . . . . ?
B21 B25 B29 C3 -63.7(5) . . . . ?
B21 B25 C3 B29 130.8(4) . . . . ?
B21 B25 C3 B30 72.0(5) . . . . ?
B21 B25 C3 P2 -106.0(5) . . . . ?
B21 C4 P3 C67 41.9(5) . . . . ?
B21 C4 P3 C00R 160.7(4) . . . . ?
B21 C4 P3 O2 -77.8(4) . . . . ?
B22 B21 B23 B25 -140.9(4) . . . . ?
B22 B21 B23 B26 -40.0(4) . . . . ?
B22 B21 B23 B27 -102.6(6) . . . . ?
B22 B21 C4 B24 57.7(4) . . . . ?
B22 B21 C4 P3 -120.5(4) . . . . ?
B22 B23 B25 B21 -39.2(4) . . . . ?
B22 B23 B25 B27 102.4(6) . . . . ?
B22 B23 B25 B29 78.2(6) . . . . ?
B22 B23 B25 C3 19.4(8) . . . . ?
B22 B23 B26 B24 -49.5(4) . . . . ?
B22 B23 B26 B27 -153.8(5) . . . . ?
B22 B23 B26 B28 -111.4(5) . . . . ?
B22 B23 B27 B25 -110.2(5) . . . . ?
B22 B23 B27 B26 24.3(4) . . . . ?
B22 B23 B27 B28 -16.8(6) . . . . ?
B22 B23 B27 B29 -82.0(7) . . . . ?
B22 B24 B26 B23 48.6(4) . . . . ?
B22 B24 B26 B27 111.0(5) . . . . ?
B22 B24 B26 B28 152.5(5) . . . . ?
B22 B24 B28 B26 -24.0(4) . . . . ?
B22 B24 B28 B27 15.5(5) . . . . ?
B22 B24 B28 B29 77.5(5) . . . . ?
B22 B24 B28 B30 116.4(4) . . . . ?
B22 B24 C4 B21 -57.6(4) . . . . ?
B22 B24 C4 P3 120.5(5) . . . . ?
B22 B26 B27 B23 -25.4(5) . . . . ?
B22 B26 B27 B25 14.9(7) . . . . ?
B22 B26 B27 B28 107.7(5) . . . . ?
B22 B26 B27 B29 82.5(7) . . . . ?
B22 B26 B28 B24 27.1(5) . . . . ?
B22 B26 B28 B27 -107.0(6) . . . . ?
B22 B26 B28 B29 -83.5(6) . . . . ?
B22 B26 B28 B30 -13.9(8) . . . . ?
B22 C4 P3 C67 -45.9(5) . . . . ?
B22 C4 P3 C00R 72.8(5) . . . . ?
B22 C4 P3 O2 -165.6(4) . . . . ?
B23 B21 B22 B24 100.6(4) . . . . ?
B23 B21 B22 B26 39.7(4) . . . . ?
B23 B21 B22 C4 142.2(5) . . . . ?
B23 B21 C4 B22 -33.8(4) . . . . ?
B23 B21 C4 B24 23.8(6) . . . . ?
B23 B21 C4 P3 -154.4(4) . . . . ?
B23 B22 B24 B26 -48.2(4) . . . . ?
B23 B22 B24 B28 -24.0(5) . . . . ?
B23 B22 B24 B30 34.9(6) . . . . ?
B23 B22 B24 C4 97.6(4) . . . . ?
B23 B22 B26 B24 122.1(4) . . . . ?
B23 B22 B26 B27 25.5(5) . . . . ?
B23 B22 B26 B28 95.5(6) . . . . ?
B23 B22 C4 B21 31.7(4) . . . . ?
B23 B22 C4 B24 -93.6(4) . . . . ?
B23 B22 C4 P3 147.1(4) . . . . ?
B23 B25 B27 B26 -40.7(4) . . . . ?
B23 B25 B27 B28 -102.3(5) . . . . ?
B23 B25 B27 B29 -151.7(5) . . . . ?
B23 B25 B29 B27 24.9(4) . . . . ?
B23 B25 B29 B28 -24.3(5) . . . . ?
B23 B25 B29 B30 -80.5(4) . . . . ?
B23 B25 B29 C3 -122.0(5) . . . . ?
B23 B25 C3 B29 87.2(6) . . . . ?
B23 B25 C3 B30 28.4(7) . . . . ?
B23 B25 C3 P2 -149.7(5) . . . . ?
B23 B26 B27 B25 40.3(4) . . . . ?
B23 B26 B27 B28 133.1(5) . . . . ?
B23 B26 B27 B29 107.9(6) . . . . ?
B23 B26 B28 B24 92.3(5) . . . . ?
B23 B26 B28 B27 -41.9(4) . . . . ?
B23 B26 B28 B29 -18.4(6) . . . . ?
B23 B26 B28 B30 51.2(7) . . . . ?
B23 B27 B28 B24 0.1(6) . . . . ?
B23 B27 B28 B26 41.7(4) . . . . ?
B23 B27 B28 B29 -112.5(5) . . . . ?
B23 B27 B28 B30 -70.2(5) . . . . ?
B23 B27 B29 B25 -27.4(5) . . . . ?
B23 B27 B29 B28 94.0(6) . . . . ?
B23 B27 B29 B30 55.3(7) . . . . ?
B23 B27 B29 C3 0.5(7) . . . . ?
B24 B22 B23 B21 -85.5(4) . . . . ?
B24 B22 B23 B25 -44.2(6) . . . . ?
B24 B22 B23 B26 49.0(4) . . . . ?
B24 B22 B23 B27 25.0(5) . . . . ?
B24 B22 B26 B23 -122.1(4) . . . . ?
B24 B22 B26 B27 -96.7(5) . . . . ?
B24 B22 B26 B28 -26.7(5) . . . . ?
B24 B22 C4 B21 125.3(4) . . . . ?
B24 B22 C4 P3 -119.3(5) . . . . ?
B24 B26 B27 B23 -92.3(5) . . . . ?
B24 B26 B27 B25 -52.0(6) . . . . ?
B24 B26 B27 B28 40.8(4) . . . . ?
B24 B26 B27 B29 15.6(7) . . . . ?
B24 B26 B28 B27 -134.1(5) . . . . ?
B24 B26 B28 B29 -110.7(5) . . . . ?
B24 B26 B28 B30 -41.1(5) . . . . ?
B24 B28 B29 B25 -43.3(6) . . . . ?
B24 B28 B29 B27 -92.9(5) . . . . ?
B24 B28 B29 B30 40.5(4) . . . . ?
B24 B28 B29 C3 12.2(6) . . . . ?
B24 B28 B30 B29 -141.3(4) . . . . ?
B24 B28 B30 C3 -110.5(4) . . . . ?
B24 B30 C3 B25 -37.0(6) . . . . ?
B24 B30 C3 B29 -95.9(5) . . . . ?
B24 B30 C3 P2 141.3(4) . . . . ?
B24 C4 P3 C67 -136.1(4) . . . . ?
B24 C4 P3 C00R -17.3(5) . . . . ?
B24 C4 P3 O2 104.2(4) . . . . ?
B25 B21 B22 B23 -34.4(4) . . . . ?
B25 B21 B22 B24 66.2(4) . . . . ?
B25 B21 B22 B26 5.3(5) . . . . ?
B25 B21 B22 C4 107.9(4) . . . . ?
B25 B21 B23 B22 140.9(4) . . . . ?
B25 B21 B23 B26 100.9(5) . . . . ?
B25 B21 B23 B27 38.3(5) . . . . ?
B25 B21 C4 B22 -96.2(5) . . . . ?
B25 B21 C4 B24 -38.5(6) . . . . ?
B25 B21 C4 P3 143.3(4) . . . . ?
B25 B23 B26 B22 112.8(5) . . . . ?
B25 B23 B26 B24 63.3(5) . . . . ?
B25 B23 B26 B27 -41.0(4) . . . . ?
B25 B23 B26 B28 1.4(6) . . . . ?
B25 B23 B27 B26 134.5(5) . . . . ?
B25 B23 B27 B28 93.4(5) . . . . ?
B25 B23 B27 B29 28.2(5) . . . . ?
B25 B27 B28 B24 61.9(5) . . . . ?
B25 B27 B28 B26 103.5(4) . . . . ?
B25 B27 B28 B29 -50.7(4) . . . . ?
B25 B27 B28 B30 -8.4(5) . . . . ?
B25 B27 B29 B28 121.4(4) . . . . ?
B25 B27 B29 B30 82.8(4) . . . . ?
B25 B27 B29 C3 28.0(4) . . . . ?
B25 B29 B30 B24 67.2(4) . . . . ?
B25 B29 B30 B28 101.6(4) . . . . ?
B25 B29 B30 C3 -42.7(3) . . . . ?
B25 B29 C3 B30 123.5(4) . . . . ?
B25 B29 C3 P2 -127.2(5) . . . . ?
B25 C3 P2 C37 -12.4(5) . . . . ?
B25 C3 P2 C49 -129.6(4) . . . . ?
B25 C3 P2 O1 110.7(5) . . . . ?
B26 B22 B23 B21 -134.4(4) . . . . ?
B26 B22 B23 B25 -93.2(5) . . . . ?
B26 B22 B23 B27 -24.0(4) . . . . ?
B26 B22 B24 B28 24.2(4) . . . . ?
B26 B22 B24 B30 83.1(5) . . . . ?
B26 B22 B24 C4 145.8(5) . . . . ?
B26 B22 C4 B21 94.0(5) . . . . ?
B26 B22 C4 B24 -31.4(5) . . . . ?
B26 B22 C4 P3 -150.7(4) . . . . ?
B26 B23 B25 B21 -102.5(5) . . . . ?
B26 B23 B25 B27 39.1(4) . . . . ?
B26 B23 B25 B29 14.9(5) . . . . ?
B26 B23 B25 C3 -43.9(7) . . . . ?
B26 B23 B27 B25 -134.5(5) . . . . ?
B26 B23 B27 B28 -41.1(4) . . . . ?
B26 B23 B27 B29 -106.3(6) . . . . ?
B26 B24 B28 B27 39.5(4) . . . . ?
B26 B24 B28 B29 101.5(6) . . . . ?
B26 B24 B28 B30 140.4(5) . . . . ?
B26 B24 C4 B21 -28.7(5) . . . . ?
B26 B24 C4 B22 28.9(4) . . . . ?
B26 B24 C4 P3 149.4(4) . . . . ?
B26 B27 B28 B24 -41.6(4) . . . . ?
B26 B27 B28 B29 -154.1(5) . . . . ?
B26 B27 B28 B30 -111.8(5) . . . . ?
B26 B27 B29 B25 -96.6(5) . . . . ?
B26 B27 B29 B28 24.8(5) . . . . ?
B26 B27 B29 B30 -13.8(6) . . . . ?
B26 B27 B29 C3 -68.6(7) . . . . ?
B26 B28 B29 B25 26.1(5) . . . . ?
B26 B28 B29 B27 -23.6(4) . . . . ?
B26 B28 B29 B30 109.8(5) . . . . ?
B26 B28 B29 C3 81.5(5) . . . . ?
B26 B28 B30 B24 39.3(5) . . . . ?
B26 B28 B30 B29 -102.0(6) . . . . ?
B26 B28 B30 C3 -71.2(6) . . . . ?
B27 B23 B25 B21 -141.6(5) . . . . ?
B27 B23 B25 B29 -24.2(4) . . . . ?
B27 B23 B25 C3 -83.0(6) . . . . ?
B27 B23 B26 B22 153.8(5) . . . . ?
B27 B23 B26 B24 104.3(4) . . . . ?
B27 B23 B26 B28 42.4(4) . . . . ?
B27 B25 B29 B28 -49.2(4) . . . . ?
B27 B25 B29 B30 -105.4(4) . . . . ?
B27 B25 B29 C3 -146.9(5) . . . . ?
B27 B25 C3 B29 27.5(4) . . . . ?
B27 B25 C3 B30 -31.3(5) . . . . ?
B27 B25 C3 P2 150.7(4) . . . . ?
B27 B26 B28 B24 134.1(5) . . . . ?
B27 B26 B28 B29 23.5(4) . . . . ?
B27 B26 B28 B30 93.1(6) . . . . ?
B27 B28 B29 B25 49.6(4) . . . . ?
B27 B28 B29 B30 133.4(4) . . . . ?
B27 B28 B29 C3 105.1(5) . . . . ?
B27 B28 B30 B24 101.4(4) . . . . ?
B27 B28 B30 B29 -39.8(4) . . . . ?
B27 B28 B30 C3 -9.1(5) . . . . ?
B27 B29 B30 B24 6.4(5) . . . . ?
B27 B29 B30 B28 40.8(4) . . . . ?
B27 B29 B30 C3 -103.5(5) . . . . ?
B27 B29 C3 B25 -30.5(5) . . . . ?
B27 B29 C3 B30 93.1(5) . . . . ?
B27 B29 C3 P2 -157.7(4) . . . . ?
B28 B24 B26 B22 -152.5(5) . . . . ?
B28 B24 B26 B23 -104.0(5) . . . . ?
B28 B24 B26 B27 -41.5(4) . . . . ?
B28 B24 C4 B21 30.6(7) . . . . ?
B28 B24 C4 B22 88.2(6) . . . . ?
B28 B24 C4 P3 -151.3(4) . . . . ?
B28 B26 B27 B23 -133.1(5) . . . . ?
B28 B26 B27 B25 -92.8(5) . . . . ?
B28 B26 B27 B29 -25.2(5) . . . . ?
B28 B27 B29 B25 -121.4(4) . . . . ?
B28 B27 B29 B30 -38.7(4) . . . . ?
B28 B27 B29 C3 -93.5(5) . . . . ?
B28 B29 B30 B24 -34.5(4) . . . . ?
B28 B29 B30 C3 -144.3(4) . . . . ?
B28 B29 C3 B25 -93.6(4) . . . . ?
B28 B29 C3 B30 29.9(4) . . . . ?
B28 B29 C3 P2 139.1(4) . . . . ?
B28 B30 C3 B25 26.6(5) . . . . ?
B28 B30 C3 B29 -32.3(4) . . . . ?
B28 B30 C3 P2 -155.1(3) . . . . ?
B29 B25 B27 B23 151.7(5) . . . . ?
B29 B25 B27 B26 111.0(5) . . . . ?
B29 B25 B27 B28 49.5(4) . . . . ?
B29 B25 C3 B30 -58.8(4) . . . . ?
B29 B25 C3 P2 123.2(5) . . . . ?
B29 B27 B28 B24 112.5(5) . . . . ?
B29 B27 B28 B26 154.1(5) . . . . ?
B29 B27 B28 B30 42.3(4) . . . . ?
B29 B28 B30 B24 141.3(4) . . . . ?
B29 B28 B30 C3 30.7(4) . . . . ?
B29 B30 C3 B25 58.9(4) . . . . ?
B29 B30 C3 P2 -122.8(4) . . . . ?
B29 C3 P2 C37 84.2(5) . . . . ?
B29 C3 P2 C49 -33.0(5) . . . . ?
B29 C3 P2 O1 -152.6(4) . . . . ?
B30 B24 B26 B22 -120.6(4) . . . . ?
B30 B24 B26 B23 -72.1(4) . . . . ?
B30 B24 B26 B27 -9.6(5) . . . . ?
B30 B24 B26 B28 31.9(4) . . . . ?
B30 B24 B28 B26 -140.4(5) . . . . ?
B30 B24 B28 B27 -100.8(5) . . . . ?
B30 B24 B28 B29 -38.9(4) . . . . ?
B30 B24 C4 B21 73.5(4) . . . . ?
B30 B24 C4 B22 131.1(4) . . . . ?
B30 B24 C4 P3 -108.4(4) . . . . ?
B30 B28 B29 B25 -83.8(4) . . . . ?
B30 B28 B29 B27 -133.4(4) . . . . ?
B30 B28 B29 C3 -28.3(4) . . . . ?
B30 B29 C3 B25 -123.5(4) . . . . ?
B30 B29 C3 P2 109.2(5) . . . . ?
B30 C3 P2 C37 169.6(4) . . . . ?
B30 C3 P2 C49 52.4(4) . . . . ?
B30 C3 P2 O1 -67.2(4) . . . . ?
C1 B1 B7 B3 109.5(4) . . . . ?
C1 B1 B7 B5 71.0(5) . . . . ?
C1 B1 B7 B8 8.7(5) . . . . ?
C1 B1 B7 B10 -31.0(4) . . . . ?
C1 B1 B10 B7 144.0(4) . . . . ?
C1 B1 B10 B8 103.9(4) . . . . ?
C1 B1 B10 B9 42.9(3) . . . . ?
C1 B9 B10 B1 -41.0(3) . . . . ?
C1 B9 B10 B7 -97.9(4) . . . . ?
C1 B9 B10 B8 -146.4(4) . . . . ?
C2 B2 B4 B3 42.9(3) . . . . ?
C2 B2 B4 B5 103.6(4) . . . . ?
C2 B2 B4 B6 144.1(4) . . . . ?
C2 B2 B6 B4 -30.5(4) . . . . ?
C2 B2 B6 B5 9.6(5) . . . . ?
C2 B2 B6 B8 71.8(5) . . . . ?
C2 B2 B6 B9 109.9(4) . . . . ?
C2 B3 B4 B2 -41.2(3) . . . . ?
C2 B3 B4 B5 -146.4(4) . . . . ?
C2 B3 B4 B6 -97.8(4) . . . . ?
C2 B3 B5 B4 27.7(4) . . . . ?
C2 B3 B5 B6 -21.1(5) . . . . ?
C2 B3 B5 B7 -124.4(4) . . . . ?
C2 B3 B5 B8 -83.0(5) . . . . ?
C2 B3 B7 B1 -57.0(5) . . . . ?
C2 B3 B7 B5 84.1(5) . . . . ?
C2 B3 B7 B8 44.6(6) . . . . ?
C2 B3 B7 B10 -17.9(7) . . . . ?
C2 B4 B5 B3 -28.7(4) . . . . ?
C2 B4 B5 B6 93.4(4) . . . . ?
C2 B4 B5 B7 -2.0(6) . . . . ?
C2 B4 B5 B8 67.4(5) . . . . ?
C2 B4 B6 B2 28.5(3) . . . . ?
C2 B4 B6 B5 -105.3(4) . . . . ?
C2 B4 B6 B8 -80.8(5) . . . . ?
C2 B4 B6 B9 -12.4(5) . . . . ?
C3 B25 B27 B23 124.6(5) . . . . ?
C3 B25 B27 B26 83.9(5) . . . . ?
C3 B25 B27 B28 22.3(5) . . . . ?
C3 B25 B27 B29 -27.2(4) . . . . ?
C3 B25 B29 B27 146.9(5) . . . . ?
C3 B25 B29 B28 97.7(4) . . . . ?
C3 B25 B29 B30 41.5(3) . . . . ?
C3 B29 B30 B24 109.8(4) . . . . ?
C3 B29 B30 B28 144.3(4) . . . . ?
C4 B21 B22 B23 -142.2(5) . . . . ?
C4 B21 B22 B24 -41.7(3) . . . . ?
C4 B21 B22 B26 -102.5(5) . . . . ?
C4 B21 B23 B22 32.2(4) . . . . ?
C4 B21 B23 B25 -108.6(4) . . . . ?
C4 B21 B23 B26 -7.7(6) . . . . ?
C4 B21 B23 B27 -70.3(6) . . . . ?
C4 B22 B23 B21 -29.9(4) . . . . ?
C4 B22 B23 B25 11.4(6) . . . . ?
C4 B22 B23 B26 104.6(4) . . . . ?
C4 B22 B23 B27 80.6(5) . . . . ?
C4 B22 B24 B26 -145.8(5) . . . . ?
C4 B22 B24 B28 -121.6(5) . . . . ?
C4 B22 B24 B30 -62.6(5) . . . . ?
C4 B22 B26 B23 -93.2(5) . . . . ?
C4 B22 B26 B24 28.9(4) . . . . ?
C4 B22 B26 B27 -67.8(6) . . . . ?
C4 B22 B26 B28 2.2(7) . . . . ?
C4 B24 B26 B22 -28.2(4) . . . . ?
C4 B24 B26 B23 20.4(5) . . . . ?
C4 B24 B26 B27 82.8(5) . . . . ?
C4 B24 B26 B28 124.3(5) . . . . ?
C4 B24 B28 B26 -83.3(6) . . . . ?
C4 B24 B28 B27 -43.8(7) . . . . ?
C4 B24 B28 B29 18.2(8) . . . . ?
C4 B24 B28 B30 57.1(5) . . . . ?
C5 B11 B14 B13 43.3(3) . . . . ?
C5 B11 B14 B15 104.3(4) . . . . ?
C5 B11 B14 B16 144.0(4) . . . . ?
C5 B11 B16 B14 -30.4(4) . . . . ?
C5 B11 B16 B15 9.2(5) . . . . ?
C5 B11 B16 B18 72.4(5) . . . . ?
C5 B11 B16 B19 109.7(4) . . . . ?
C5 B13 B14 B11 -41.3(3) . . . . ?
C5 B13 B14 B15 -146.7(4) . . . . ?
C5 B13 B14 B16 -97.9(4) . . . . ?
C5 B13 B15 B14 27.5(4) . . . . ?
C5 B13 B15 B16 -21.8(5) . . . . ?
C5 B13 B15 B17 -125.2(4) . . . . ?
C5 B13 B15 B18 -83.2(5) . . . . ?
C5 B13 B17 B12 -57.8(5) . . . . ?
C5 B13 B17 B15 83.6(5) . . . . ?
C5 B13 B17 B18 43.6(6) . . . . ?
C5 B13 B17 B20 -18.4(6) . . . . ?
C5 B14 B15 B13 -28.6(4) . . . . ?
C5 B14 B15 B16 92.7(4) . . . . ?
C5 B14 B15 B17 -2.2(6) . . . . ?
C5 B14 B15 B18 67.3(5) . . . . ?
C5 B14 B16 B11 28.4(3) . . . . ?
C5 B14 B16 B15 -106.1(4) . . . . ?
C5 B14 B16 B18 -81.7(5) . . . . ?
C5 B14 B16 B19 -13.0(5) . . . . ?
C6 B12 B17 B13 109.3(4) . . . . ?
C6 B12 B17 B15 71.4(5) . . . . ?
C6 B12 B17 B18 9.2(5) . . . . ?
C6 B12 B17 B20 -30.8(4) . . . . ?
C6 B12 B20 B17 143.6(4) . . . . ?
C6 B12 B20 B18 103.2(4) . . . . ?
C6 B12 B20 B19 42.8(3) . . . . ?
C6 B19 B20 B12 -40.9(3) . . . . ?
C6 B19 B20 B17 -97.4(4) . . . . ?
C6 B19 B20 B18 -146.0(4) . . . . ?
C7 C8 C9 C10 1.8(7) . . . . ?
C7 C8 P6 C5 90.9(4) . . . . ?
C7 C8 P6 C13 -146.0(4) . . . . ?
C7 C8 P6 O4 -31.5(4) . . . . ?
C8 C7 C12 C11 -1.1(7) . . . . ?
C8 C9 C10 C11 -0.8(8) . . . . ?
C9 C8 P6 C5 -90.6(4) . . . . ?
C9 C8 P6 C13 32.5(4) . . . . ?
C9 C8 P6 O4 146.9(4) . . . . ?
C9 C10 C11 C12 -1.3(8) . . . . ?
C10 C11 C12 C7 2.2(8) . . . . ?
C12 C7 C8 C9 -0.9(7) . . . . ?
C12 C7 C8 P6 177.6(4) . . . . ?
C13 C14 C15 C16 0.2(7) . . . . ?
C14 C13 C18 C17 0.6(7) . . . . ?
C14 C13 P6 C5 37.2(4) . . . . ?
C14 C13 P6 C8 -84.4(4) . . . . ?
C14 C13 P6 O4 162.1(4) . . . . ?
C14 C15 C16 C17 -1.3(8) . . . . ?
C15 C16 C17 C18 2.0(8) . . . . ?
C16 C17 C18 C13 -1.6(8) . . . . ?
C18 C13 C14 C15 0.2(7) . . . . ?
C18 C13 P6 C5 -140.6(4) . . . . ?
C18 C13 P6 C8 97.8(4) . . . . ?
C18 C13 P6 O4 -15.6(4) . . . . ?
C19 C20 C21 C22 -0.5(7) . . . . ?
C20 C19 C24 C23 0.3(7) . . . . ?
C20 C19 P1 C1 -140.2(4) . . . . ?
C20 C19 P1 C25 99.1(4) . . . . ?
C20 C19 P1 O5 -14.2(4) . . . . ?
C20 C21 C22 C23 0.1(8) . . . . ?
C21 C22 C23 C24 0.4(7) . . . . ?
C22 C23 C24 C19 -0.7(7) . . . . ?
C24 C19 C20 C21 0.2(7) . . . . ?
C24 C19 P1 C1 39.9(4) . . . . ?
C24 C19 P1 C25 -80.9(4) . . . . ?
C24 C19 P1 O5 165.9(4) . . . . ?
C25 C26 C30 C29 0.1(8) . . . . ?
C25 C27 C28 C29 -1.5(8) . . . . ?
C26 C25 C27 C28 1.2(7) . . . . ?
C26 C25 P1 C1 91.6(4) . . . . ?
C26 C25 P1 C19 -146.0(4) . . . . ?
C26 C25 P1 O5 -31.0(4) . . . . ?
C27 C25 C26 C30 -0.5(7) . . . . ?
C27 C25 P1 C1 -87.9(4) . . . . ?
C27 C25 P1 C19 34.5(4) . . . . ?
C27 C25 P1 O5 149.5(4) . . . . ?
C27 C28 C29 C30 1.1(8) . . . . ?
C28 C29 C30 C26 -0.4(8) . . . . ?
C030 C00R P3 C4 -54.6(5) . . . . ?
C030 C00R P3 C67 67.1(5) . . . . ?
C030 C00R P3 O2 -178.1(4) . . . . ?
C31 C32 C33 C34 -0.2(8) . . . . ?
C32 C31 C36 C35 0.9(8) . . . . ?
C32 C31 P4 C6 87.0(4) . . . . ?
C32 C31 P4 C43 -151.1(4) . . . . ?
C32 C31 P4 O3 -35.2(5) . . . . ?
C32 C33 C34 C35 -1.3(8) . . . . ?
C33 C34 C35 C36 2.6(8) . . . . ?
C34 C35 C36 C31 -2.4(8) . . . . ?
C034 C02D C02X C030 -0.7(9) . . . . ?
C034 C01N C00R C030 -0.6(8) . . . . ?
C034 C01N C00R P3 174.9(4) . . . . ?
C36 C31 C32 C33 0.4(7) . . . . ?
C36 C31 P4 C6 -92.0(4) . . . . ?
C36 C31 P4 C43 29.9(5) . . . . ?
C36 C31 P4 O3 145.7(4) . . . . ?
C37 C38 C39 C40 0.4(8) . . . . ?
C38 C37 C42 C41 2.0(8) . . . . ?
C38 C37 P2 C3 145.7(4) . . . . ?
C38 C37 P2 C49 -92.1(4) . . . . ?
C38 C37 P2 O1 20.2(5) . . . . ?
C38 C39 C40 C41 -0.2(9) . . . . ?
C39 C40 C41 C42 0.9(9) . . . . ?
C40 C41 C42 C37 -1.8(8) . . . . ?
C42 C37 C38 C39 -1.3(8) . . . . ?
C42 C37 P2 C3 -41.6(5) . . . . ?
C42 C37 P2 C49 80.7(5) . . . . ?
C42 C37 P2 O1 -167.0(4) . . . . ?
C43 C44 C45 C46 -0.4(8) . . . . ?
C44 C43 C48 C47 0.8(8) . . . . ?
C44 C43 P4 C6 -151.9(4) . . . . ?
C44 C43 P4 C31 87.8(4) . . . . ?
C44 C43 P4 O3 -26.1(5) . . . . ?
C44 C45 C46 C47 0.9(9) . . . . ?
C45 C46 C47 C48 -0.6(10) . . . . ?
C46 C47 C48 C43 -0.2(9) . . . . ?
C48 C43 C44 C45 -0.4(8) . . . . ?
C48 C43 P4 C6 33.4(5) . . . . ?
C48 C43 P4 C31 -86.9(4) . . . . ?
C48 C43 P4 O3 159.1(4) . . . . ?
C49 C50 C51 C52 -0.1(8) . . . . ?
C50 C49 C54 C53 -1.4(8) . . . . ?
C50 C49 P2 C3 -105.9(5) . . . . ?
C50 C49 P2 C37 131.0(4) . . . . ?
C50 C49 P2 O1 17.3(5) . . . . ?
C50 C51 C52 C53 -1.5(8) . . . . ?
C51 C52 C53 C54 1.6(9) . . . . ?
C52 C53 C54 C49 -0.1(9) . . . . ?
C54 C49 C50 C51 1.5(8) . . . . ?
C54 C49 P2 C3 77.3(5) . . . . ?
C54 C49 P2 C37 -45.8(5) . . . . ?
C54 C49 P2 O1 -159.5(4) . . . . ?
C55 C56 C57 C58 1.1(7) . . . . ?
C56 C55 C60 C59 -2.7(7) . . . . ?
C56 C55 P5 C2 -153.0(4) . . . . ?
C56 C55 P5 C61 89.5(4) . . . . ?
C56 C55 P5 O6 -25.3(4) . . . . ?
C56 C57 C58 C59 -2.5(8) . . . . ?
C57 C58 C59 C60 1.4(8) . . . . ?
C58 C59 C60 C55 1.2(8) . . . . ?
C60 C55 C56 C57 1.5(7) . . . . ?
C60 C55 P5 C2 32.6(5) . . . . ?
C60 C55 P5 C61 -84.8(4) . . . . ?
C60 C55 P5 O6 160.3(4) . . . . ?
C61 C62 C63 C64 0.0(8) . . . . ?
C62 C61 C66 C65 -0.1(7) . . . . ?
C62 C61 P5 C2 -74.0(4) . . . . ?
C62 C61 P5 C55 47.8(4) . . . . ?
C62 C61 P5 O6 163.3(4) . . . . ?
C62 C63 C64 C65 -0.2(8) . . . . ?
C63 C64 C65 C66 0.2(8) . . . . ?
C64 C65 C66 C61 0.0(7) . . . . ?
C66 C61 C62 C63 0.2(7) . . . . ?
C66 C61 P5 C2 102.0(4) . . . . ?
C66 C61 P5 C55 -136.2(4) . . . . ?
C66 C61 P5 O6 -20.7(4) . . . . ?
C67 C68 C69 C70 2.3(10) . . . . ?
C68 C67 C72 C71 2.6(10) . . . . ?
C68 C67 P3 C4 -75.8(5) . . . . ?
C68 C67 P3 C00R 162.1(4) . . . . ?
C68 C67 P3 O2 46.6(5) . . . . ?
C68 C69 C70 C71 0.3(12) . . . . ?
C69 C70 C71 C72 -1.4(13) . . . . ?
C70 C71 C72 C67 -0.1(13) . . . . ?
C72 C67 C68 C69 -3.7(9) . . . . ?
C72 C67 P3 C4 105.0(5) . . . . ?
C72 C67 P3 C00R -17.2(6) . . . . ?
C72 C67 P3 O2 -132.7(5) . . . . ?
C73 C74 C75 C76 -1.5(6) . . . . ?
C73 C74 C75 C80 177.8(5) . . . . ?
C73 C74 C75 Co2 -59.6(4) . . . . ?
C74 C73 C77 C76 -0.4(6) . . . . ?
C74 C73 C77 C78 -177.8(5) . . . . ?
C74 C73 C77 Co2 58.5(4) . . . . ?
C74 C75 C76 C77 1.2(6) . . . . ?
C74 C75 C76 C79 176.6(5) . . . . ?
C74 C75 C76 Co2 -58.7(4) . . . . ?
C75 C76 C77 C73 -0.5(6) . . . . ?
C75 C76 C77 C78 177.0(5) . . . . ?
C75 C76 C77 Co2 -60.2(4) . . . . ?
C77 C73 C74 C75 1.2(6) . . . . ?
C77 C73 C74 C81 176.9(5) . . . . ?
C77 C73 C74 Co2 -58.3(4) . . . . ?
C79 C76 C77 C73 -175.9(5) . . . . ?
C79 C76 C77 C78 1.6(9) . . . . ?
C79 C76 C77 Co2 124.4(6) . . . . ?
C80 C75 C76 C77 -178.1(5) . . . . ?
C80 C75 C76 C79 -2.7(9) . . . . ?
C80 C75 C76 Co2 122.0(6) . . . . ?
C81 C74 C75 C76 -177.1(5) . . . . ?
C81 C74 C75 C80 2.1(9) . . . . ?
C81 C74 C75 Co2 124.7(6) . . . . ?
C82 C73 C74 C75 -177.7(5) . . . . ?
C82 C73 C74 C81 -1.9(9) . . . . ?
C82 C73 C74 Co2 122.8(5) . . . . ?
C82 C73 C77 C76 178.4(5) . . . . ?
C82 C73 C77 C78 1.0(9) . . . . ?
C82 C73 C77 Co2 -122.7(6) . . . . ?
C85 C87 C83 C84 -0.5(6) . . . . ?
C85 C87 C83 C88 178.6(5) . . . . ?
C85 C87 C83 Co1 -59.4(3) . . . . ?
C86 C84 C83 C87 0.4(5) . . . . ?
C86 C84 C83 C88 -178.6(5) . . . . ?
C86 C84 C83 Co1 59.3(3) . . . . ?
C86 C85 C87 C89 177.5(5) . . . . ?
C86 C85 C87 C83 0.3(6) . . . . ?
C86 C85 C87 Co1 -58.9(3) . . . . ?
C87 C85 C86 C84 -0.1(5) . . . . ?
C87 C85 C86 C148 -177.9(5) . . . . ?
C87 C85 C86 Co1 58.7(3) . . . . ?
C89 C87 C83 C84 -177.6(5) . . . . ?
C89 C87 C83 C88 1.5(9) . . . . ?
C89 C87 C83 Co1 123.5(6) . . . . ?
C93 C94 C95 C96 0.1(6) . . . . ?
C93 C94 C95 C101 177.3(5) . . . . ?
C93 C94 C95 Co1 -59.6(3) . . . . ?
C94 C93 C97 C96 -1.1(6) . . . . ?
C94 C93 C97 C98 -178.1(5) . . . . ?
C94 C93 C97 Co1 58.6(3) . . . . ?
C94 C95 C96 C97 -0.8(5) . . . . ?
C94 C95 C96 C102 177.4(5) . . . . ?
C94 C95 C96 Co1 -59.2(3) . . . . ?
C95 C96 C97 C93 1.2(5) . . . . ?
C95 C96 C97 C98 178.2(5) . . . . ?
C95 C96 C97 Co1 -58.6(3) . . . . ?
C97 C93 C94 C95 0.6(6) . . . . ?
C97 C93 C94 C100 177.0(5) . . . . ?
C97 C93 C94 Co1 -58.7(3) . . . . ?
C99 C93 C94 C95 -177.7(5) . . . . ?
C99 C93 C94 C100 -1.2(8) . . . . ?
C99 C93 C94 Co1 123.1(5) . . . . ?
C99 C93 C97 C96 177.2(5) . . . . ?
C99 C93 C97 C98 0.1(8) . . . . ?
C99 C93 C97 Co1 -123.1(5) . . . . ?
C100 C94 C95 C96 -176.3(5) . . . . ?
C100 C94 C95 C101 0.8(8) . . . . ?
C100 C94 C95 Co1 124.0(5) . . . . ?
C101 C95 C96 C97 -177.9(5) . . . . ?
C101 C95 C96 C102 0.3(8) . . . . ?
C101 C95 C96 Co1 123.7(5) . . . . ?
C102 C96 C97 C93 -177.0(5) . . . . ?
C102 C96 C97 C98 0.1(8) . . . . ?
C102 C96 C97 Co1 123.3(5) . . . . ?
C83 C84 C86 C85 -0.2(5) . . . . ?
C83 C84 C86 C148 177.6(5) . . . . ?
C83 C84 C86 Co1 -59.0(3) . . . . ?
C146 C85 C86 C84 176.0(5) . . . . ?
C146 C85 C86 C148 -1.8(8) . . . . ?
C146 C85 C86 Co1 -125.2(5) . . . . ?
C146 C85 C87 C89 1.4(8) . . . . ?
C146 C85 C87 C83 -175.7(5) . . . . ?
C146 C85 C87 Co1 125.0(5) . . . . ?
C149 C84 C86 C85 -178.5(5) . . . . ?
C149 C84 C86 C148 -0.6(8) . . . . ?
C149 C84 C86 Co1 122.7(5) . . . . ?
C149 C84 C83 C87 178.6(5) . . . . ?
C149 C84 C83 C88 -0.5(8) . . . . ?
C149 C84 C83 Co1 -122.6(5) . . . . ?
C161 C161 C162 C162 3(3) 2_655 . . 2_655 ?
C161 C162 N4 C162 1.6(12) 2_655 . . 2_655 ?
C162 C161 C162 C161 -3(3) 2_655 . . 2_655 ?
C02D C034 C01N C00R -0.6(8) . . . . ?
C01N C034 C02D C02X 1.2(8) . . . . ?
C01N C00R P3 C4 130.0(4) . . . . ?
C01N C00R P3 C67 -108.3(4) . . . . ?
C01N C00R P3 O2 6.5(5) . . . . ?
C00R C030 C02X C02D -0.6(9) . . . . ?
C193 O9 C192 C191 151(2) . . . . ?
C194 C193 O9 C192 -172.4(18) . . . . ?
C02X C030 C00R C01N 1.2(8) . . . . ?
C02X C030 C00R P3 -174.3(4) . . . . ?
Co1 C84 C86 C85 58.8(3) . . . . ?
Co1 C84 C86 C148 -123.3(5) . . . . ?
Co1 C84 C83 C87 -58.8(3) . . . . ?
Co1 C84 C83 C88 122.1(5) . . . . ?
Co1 C85 C86 C84 -58.8(3) . . . . ?
Co1 C85 C86 C148 123.3(5) . . . . ?
Co1 C85 C87 C89 -123.6(5) . . . . ?
Co1 C85 C87 C83 59.3(3) . . . . ?
Co1 C87 C83 C84 58.9(3) . . . . ?
Co1 C87 C83 C88 -122.0(5) . . . . ?
Co1 C93 C94 C95 59.2(3) . . . . ?
Co1 C93 C94 C100 -124.3(5) . . . . ?
Co1 C93 C97 C96 -59.7(3) . . . . ?
Co1 C93 C97 C98 123.2(5) . . . . ?
Co1 C94 C95 C96 59.7(3) . . . . ?
Co1 C94 C95 C101 -123.2(5) . . . . ?
Co1 C95 C96 C97 58.4(3) . . . . ?
Co1 C95 C96 C102 -123.4(5) . . . . ?
Co1 C96 C97 C93 59.7(3) . . . . ?
Co1 C96 C97 C98 -123.2(5) . . . . ?
Co2 C73 C74 C75 59.5(4) . . . . ?
Co2 C73 C74 C81 -124.8(5) . . . . ?
Co2 C73 C77 C76 -58.9(4) . . . . ?
Co2 C73 C77 C78 123.7(6) . . . . ?
Co2 C74 C75 C76 58.2(4) . . . . ?
Co2 C74 C75 C80 -122.6(6) . . . . ?
Co2 C75 C76 C77 59.9(4) . . . . ?
Co2 C75 C76 C79 -124.7(6) . . . . ?
Co2 C76 C77 C73 59.8(4) . . . . ?
Co2 C76 C77 C78 -122.8(6) . . . . ?
Co3 C111 C112 C113 59.4(4) . . . . ?
Co3 C111 C112 C117 -124.1(11) . . . . ?
Co3 C111 C115 C114 -58.7(6) . . . . ?
Co3 C111 C115 C120 124.1(12) . . . . ?
Co3 C112 C113 C114 58.7(5) . . . . ?
Co3 C112 C113 C118 -122.8(12) . . . . ?
Co3 C113 C114 C115 59.6(6) . . . . ?
Co3 C113 C114 C119 -124.8(13) . . . . ?
Co3 C114 C115 C111 58.8(6) . . . . ?
Co3 C114 C115 C120 -124.0(12) . . . . ?
Co3 Co3 C131 C131 -62.2(11) 2_656 . . 2_656 ?
Co3 Co3 C131 C132 60.1(7) 2_656 . . . ?
Co3 Co3 C131 C134 152(2) 2_656 . . . ?
Co3 Co3 C132 C131 -85.4(8) 2_656 . . . ?
Co3 Co3 C132 C133 33.1(7) 2_656 . . . ?
Co3 Co3 C132 C135 140.3(16) 2_656 . . . ?
Co3 Co3 C133 C132 63.3(5) 2_656 . . 2_656 ?
Co3 Co3 C133 C132 -63.3(5) 2_656 . . . ?
Co3 Co3 C133 C136 179.999(8) 2_656 . . . ?
Co3 C131 C132 Co3 -81.2(5) . . . 2_656 ?
Co3 C131 C132 Co3 81.2(5) 2_656 . . . ?
Co3 C131 C132 C133 42.9(4) 2_656 . . . ?
Co3 C131 C132 C133 -38.3(5) . . . . ?
Co3 C131 C132 C135 133.5(19) . . . . ?
Co3 C131 C132 C135 -145.3(19) 2_656 . . . ?
Co3 C132 C133 Co3 130.3(9) 2_656 . . . ?
Co3 C132 C133 Co3 -130.3(9) . . . 2_656 ?
Co3 C132 C133 C132 65.1(5) 2_656 . . 2_656 ?
Co3 C132 C133 C132 -65.1(5) . . . 2_656 ?
Co3 C132 C133 C136 114.9(5) . . . . ?
Co3 C132 C133 C136 -114.9(5) 2_656 . . . ?
Co3 C133 C136 Co3 180.001(7) . . . 2_656 ?
P1 C19 C20 C21 -179.7(4) . . . . ?
P1 C19 C24 C23 -179.7(4) . . . . ?
P1 C25 C26 C30 180.0(4) . . . . ?
P1 C25 C27 C28 -179.3(4) . . . . ?
P2 C37 C38 C39 171.7(4) . . . . ?
P2 C37 C42 C41 -170.8(4) . . . . ?
P2 C49 C50 C51 -175.3(4) . . . . ?
P2 C49 C54 C53 175.4(5) . . . . ?
P3 C67 C68 C69 177.0(5) . . . . ?
P3 C67 C72 C71 -178.2(6) . . . . ?
P4 C31 C32 C33 -178.6(4) . . . . ?
P4 C31 C36 C35 179.9(4) . . . . ?
P4 C43 C44 C45 -175.3(4) . . . . ?
P4 C43 C48 C47 175.5(4) . . . . ?
P5 C55 C56 C57 -173.0(4) . . . . ?
P5 C55 C60 C59 171.7(4) . . . . ?
P5 C61 C62 C63 176.2(4) . . . . ?
P5 C61 C66 C65 -176.1(4) . . . . ?
P6 C8 C9 C10 -176.7(4) . . . . ?
P6 C13 C14 C15 -177.6(4) . . . . ?
P6 C13 C18 C17 178.4(4) . . . . ?
Th1 O1 P2 C3 -2.2(12) . . . . ?
Th1 O1 P2 C37 124.0(11) . . . . ?
Th1 O1 P2 C49 -125.4(11) . . . . ?
Th1 O2 P3 C4 13.7(10) . . . . ?
Th1 O2 P3 C67 -108.4(9) . . . . ?
Th1 O2 P3 C00R 137.4(9) . . . . ?
Th1 O3 P4 C6 -33.1(12) . . . . ?
Th1 O3 P4 C31 88.1(11) . . . . ?
Th1 O3 P4 C43 -159.4(11) . . . . ?
Th1 O4 P6 C5 -11.6(9) . . . . ?
Th1 O4 P6 C8 109.5(8) . . . . ?
Th1 O4 P6 C13 -136.8(8) . . . . ?
Th1 O5 P1 C1 10.5(10) . . . . ?
Th1 O5 P1 C19 -115.4(9) . . . . ?
Th1 O5 P1 C25 131.5(9) . . . . ?
Th1 O6 P5 C2 -30.5(9) . . . . ?
Th1 O6 P5 C55 -158.7(9) . . . . ?
Th1 O6 P5 C61 88.8(9) . . . . ?
C131 Co3 C131 Co3 62.2(11) 2_656 . . 2_656 ?
C131 Co3 C131 C132 122.3(15) 2_656 . . . ?
C131 Co3 C131 C134 -145(3) 2_656 . . . ?
C131 Co3 C132 Co3 85.4(8) . . . 2_656 ?
C131 Co3 C132 Co3 50.0(7) 2_656 . . 2_656 ?
C131 Co3 C132 C131 -35.3(11) 2_656 . . . ?
C131 Co3 C132 C133 118.4(10) . . . . ?
C131 Co3 C132 C133 83.1(7) 2_656 . . . ?
C131 Co3 C132 C135 -134.3(18) . . . . ?
C131 Co3 C132 C135 -169.6(13) 2_656 . . . ?
C131 Co3 C133 Co3 21.6(6) . . . 2_656 ?
C131 Co3 C133 Co3 -19.4(5) 2_656 . . 2_656 ?
C131 Co3 C133 C132 -41.8(6) . . . . ?
C131 Co3 C133 C132 43.9(5) 2_656 . . 2_656 ?
C131 Co3 C133 C132 84.8(10) . . . 2_656 ?
C131 Co3 C133 C132 -82.7(9) 2_656 . . . ?
C131 Co3 C133 C136 160.6(5) 2_656 . . . ?
C131 Co3 C133 C136 -158.5(6) . . . . ?
C131 C131 C132 Co3 -19.3(17) 2_656 . . 2_656 ?
C131 C131 C132 Co3 61.9(17) 2_656 . . . ?
C131 C131 C132 C133 23.6(19) 2_656 . . . ?
C131 C131 C132 C135 -165(2) 2_656 . . . ?
C131 C132 C133 Co3 56.6(10) . . . . ?
C131 C132 C133 Co3 -73.7(10) . . . 2_656 ?
C131 C132 C133 C132 -8.6(7) . . . 2_656 ?
C131 C132 C133 C136 171.4(7) . . . . ?
C132 Co3 C131 Co3 -60.1(7) . . . 2_656 ?
C132 Co3 C131 Co3 47.6(6) 2_656 . . 2_656 ?
C132 Co3 C131 C131 -14.6(12) 2_656 . . 2_656 ?
C132 Co3 C131 C131 -122.3(15) . . . 2_656 ?
C132 Co3 C131 C132 107.7(8) 2_656 . . . ?
C132 Co3 C131 C134 -160(2) 2_656 . . . ?
C132 Co3 C131 C134 92(2) . . . . ?
C132 Co3 C132 Co3 11.1(9) 2_656 . . 2_656 ?
C132 Co3 C132 C131 -74.2(10) 2_656 . . . ?
C132 Co3 C132 C133 44.2(7) 2_656 . . . ?
C132 Co3 C132 C135 151.5(11) 2_656 . . . ?
C132 Co3 C133 Co3 63.3(5) . . . 2_656 ?
C132 Co3 C133 Co3 -63.3(5) 2_656 . . 2_656 ?
C132 Co3 C133 C132 -126.6(9) 2_656 . . . ?
C132 Co3 C133 C132 126.6(9) . . . 2_656 ?
C132 Co3 C133 C136 -116.7(5) . . . . ?
C132 Co3 C133 C136 116.7(5) 2_656 . . . ?
C132 C133 C136 Co3 90.0(7) . . . 2_656 ?
C132 C133 C136 Co3 -90.0(7) 2_656 . . 2_656 ?
C133 Co3 C131 Co3 -11.3(4) . . . 2_656 ?
C133 Co3 C131 C131 -73.5(11) . . . 2_656 ?
C133 Co3 C131 C132 48.9(8) . . . . ?
C133 Co3 C131 C134 141(2) . . . . ?
C133 Co3 C132 Co3 -33.1(7) . . . 2_656 ?
C133 Co3 C132 C131 -118.4(10) . . . . ?
C133 Co3 C132 C135 107.3(13) . . . . ?
C134 C131 C132 Co3 -138.9(11) . . . . ?
C134 C131 C132 Co3 139.9(11) . . . 2_656 ?
C134 C131 C132 C133 -177.2(10) . . . . ?
C134 C131 C132 C135 -5(2) . . . . ?
C135 C132 C133 Co3 113.9(17) . . . 2_656 ?
C135 C132 C133 Co3 -115.9(17) . . . . ?
C135 C132 C133 C132 179.0(18) . . . 2_656 ?
C135 C132 C133 C136 -1.0(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ndcp_0m
_database_code_depnum_ccdc_archive 'CCDC 2071516'
loop_
_audit_author_name
_audit_author_address
'Guang Wu'
;UC Santa Barbara
United States of America
;
_audit_update_record             
;
2021-11-24 deposited with the CCDC.	2022-02-21 downloaded from the CCDC.
;
_audit_creation_date             2021-10-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '3(C20 Co), C78 H90 B30 Nd O6 P6, 4(C4 H6 N2)'
_chemical_formula_sum            'C154 H129 B30 Co3 N8 Nd O6 P6'
_chemical_formula_weight         3018.79
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   19.004(6)
_cell_length_b                   23.285(7)
_cell_length_c                   36.829(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16297(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3122
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      22.59
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.931
_shelx_estimated_absorpt_T_min   0.839
_exptl_absorpt_coefficient_mu    0.726
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6709
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0761 before and 0.0677 after correction.
The Ratio of minimum to maximum transmission is 0.9001.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.230
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6152
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1029
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            124957
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.713
_diffrn_reflns_theta_max         24.713
_diffrn_reflns_theta_min         1.106
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9769
_reflns_number_total             13905
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL n/a (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.719
_refine_diff_density_min         -2.282
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     831
_refine_ls_number_reflns         13905
_refine_ls_number_restraints     210
_refine_ls_R_factor_all          0.1308
_refine_ls_R_factor_gt           0.0939
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1278P)²+193.5547P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2423
_refine_ls_wR_factor_ref         0.2750
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N1-C81 \\sim N2-C83 \\sim N3-C85 \\sim N4-C87
 with sigma of 0.01
 C81-C82 \\sim C83-C84 \\sim C85-C86 \\sim C87-C88
 with sigma of 0.01
 N1-C82 \\sim N2-C84 \\sim N3-C86 \\sim N4-C88
 with sigma of 0.01
 C77-C73 \\sim C77-C71 \\sim C78-C72 \\sim C78-C74 \\sim C75-C71 \\sim C75-C74
 with sigma of 0.01
 C60-C61 \\sim C61-C62 \\sim C62-C63 \\sim C63-C64 \\sim C64-C60
 with sigma of 0.01
 C60-C61 \\sim C70-C71 \\sim C71-C72 \\sim C72-C73 \\sim C73-C74 \\sim C74-C70
 with sigma of 0.01
 C60-C62 \\sim C61-C63 \\sim C62-C64 \\sim C63-C60 \\sim C64-C61
 with sigma of 0.01
 C60-C62 \\sim C70-C72 \\sim C71-C73 \\sim C72-C74 \\sim C73-C70 \\sim C74-C71
 with sigma of 0.01
 C65-C60 \\sim C66-C61 \\sim C67-C62 \\sim C68-C63 \\sim C69-C64
 with sigma of 0.01
 C65-C66 \\sim C77-C78 \\sim C78-C79 \\sim C79-C75
 with sigma of 0.01
 C65-C66 \\sim C66-C67 \\sim C67-C68 \\sim C68-C69 \\sim C69-C65
 with sigma of 0.01
 C65-C60 \\sim C75-C70 \\sim C77-C72 \\sim C78-C73 \\sim C79-C74
 with sigma of 0.01
 Co2-C75 \\sim Co2-C77 \\sim Co2-C78 \\sim Co2-C79 \\sim Co2-C65
 with sigma of 0.01
3. Restrained planarity
 C60, C61, C62, C63, C64, C65, C66, C67, C68, C69
 with sigma of 0.1
 C70, C71, C72, C73, C74, C75, C77, C78, C79
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(N1) = Uanis(N2) = Uanis(N3) = Uanis(N4)
Uanis(C81) = Uanis(C83) = Uanis(C85) = Uanis(C87)
Uanis(C82) = Uanis(C84) = Uanis(C86) = Uanis(C88)
Uanis(C45) = Uanis(C46) = Uanis(C47) = Uanis(C48) = Uanis(C49)
Uiso(C60) = Uiso(C61) = Uiso(C62) = Uiso(C63) = Uiso(C64) = Uiso(C70) =
Uiso(C71) = Uiso(C72) = Uiso(C73) = Uiso(C74)
Uiso(C65) = Uiso(C66) = Uiso(C67) = Uiso(C68) = Uiso(C69) = Uiso(C75) =
Uiso(C77) = Uiso(C78) = Uiso(C79)
5. Others
 Fixed Sof: C60(0.5) C61(0.5) C62(0.5) C63(0.5) C64(0.5) C65(0.5) C67(0.5)
 C68(0.5) C69(0.5) C70(0.5) C71(0.5) C72(0.5) C73(0.5) C74(0.5) C75(0.5)
 C78(0.5) C79(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4A), C5(H5A), C6(H6A), C7(H7A), C9(H9A), C10(H10A), C11(H11A),
 C12(H12A), C13(H13A), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20),
 C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C29(H29), C30(H30), C31(H31),
  C32(H32), C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39)
6.b Idealised Me refined as rotating group:
 C82(H82A,H82B,H82C), C84(H84A,H84B,H84C), C86(H86A,H86B,H86C), C88(H88A,H88B,
 H88C)
6.c Boron cage BH refined with riding coordinates:
 B1(H1), B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9),
 B10(H10), B11(H11), B12(H12), B13(H13), B14(H14), B15(H15)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
C60 C 0.2244(10) 0.6842(8) 0.3681(6) 0.112(4) Uiso 0.5 1 d D . P A 1
C61 C 0.2225(10) 0.7374(10) 0.3515(5) 0.112(4) Uiso 0.5 1 d D . P A 1
C62 C 0.1747(12) 0.7713(7) 0.3699(6) 0.112(4) Uiso 0.5 1 d D . P A 1
C63 C 0.1468(14) 0.7385(11) 0.3979(7) 0.112(4) Uiso 0.5 1 d D . P A 1
C64 C 0.1792(15) 0.6857(9) 0.3975(7) 0.112(4) Uiso 0.5 1 d D . P A 1
C65 C 0.2708(12) 0.6336(5) 0.3572(4) 0.096(3) Uiso 0.5 1 d D . P A 1
C66 C 0.2500 0.7500 0.3134(4) 0.096(3) Uiso 1 2 d DS . P A 1
C67 C 0.1575(13) 0.8343(7) 0.3610(6) 0.096(3) Uiso 0.5 1 d D . P A 1
C68 C 0.0871(13) 0.7582(9) 0.4225(7) 0.096(3) Uiso 0.5 1 d D . P A 1
C69 C 0.1606(13) 0.6354(8) 0.4220(6) 0.096(3) Uiso 0.5 1 d D . P A 1
C70 C 0.3177(8) 0.6980(7) 0.4304(5) 0.112(4) Uiso 0.5 1 d D . P A 2
C71 C 0.3139(7) 0.7506(7) 0.4472(5) 0.112(4) Uiso 0.5 1 d D . P A 2
C72 C 0.2450(7) 0.7601(6) 0.4576(5) 0.112(4) Uiso 0.5 1 d D . P A 2
C73 C 0.2081(9) 0.7099(7) 0.4507(7) 0.112(4) Uiso 0.5 1 d D . P A 2
C74 C 0.2496(7) 0.6759(8) 0.4283(7) 0.112(4) Uiso 0.5 1 d D . P A 2
C75 C 0.3839(8) 0.6682(8) 0.4170(6) 0.096(3) Uiso 0.5 1 d D . P A 2
C77 C 0.2189(8) 0.8111(6) 0.4798(3) 0.096(3) Uiso 1 1 d D . . A 2
C78 C 0.1288(8) 0.7025(7) 0.4561(5) 0.096(3) Uiso 0.5 1 d D . P A 2
C79 C 0.2293(10) 0.6153(5) 0.4149(6) 0.096(3) Uiso 0.5 1 d D . P A 2
B1 B 0.7746(5) 0.5133(4) 0.5507(3) 0.030(2) Uani 1 1 d . . . . .
H1 H 0.7798 0.5031 0.5803 0.036 Uiso 1 1 calc R U . . .
B2 B 0.8206(5) 0.5864(4) 0.5019(2) 0.026(2) Uani 1 1 d . . . . .
H2 H 0.8381 0.6318 0.4979 0.032 Uiso 1 1 calc R U . . .
B3 B 0.8522(5) 0.5170(4) 0.5200(3) 0.031(2) Uani 1 1 d . . . . .
H3 H 0.9067 0.4997 0.5236 0.038 Uiso 1 1 calc R U . . .
B4 B 0.7336(5) 0.5726(4) 0.4745(3) 0.028(2) Uani 1 1 d . . . . .
H4 H 0.7291 0.6029 0.4510 0.034 Uiso 1 1 calc R U . . .
B5 B 0.6994(5) 0.4877(4) 0.5254(3) 0.030(2) Uani 1 1 d . . . . .
H5 H 0.6668 0.4532 0.5383 0.036 Uiso 1 1 calc R U . . .
B6 B 0.6547(5) 0.5389(4) 0.4958(3) 0.030(2) Uani 1 1 d . . . . .
H6 H 0.5997 0.5346 0.4853 0.036 Uiso 1 1 calc R U . . .
B7 B 0.6882(5) 0.5576(4) 0.5420(2) 0.025(2) Uani 1 1 d . . . . .
H7 H 0.6715 0.5804 0.5673 0.030 Uiso 1 1 calc R U . . .
B8 B 0.7210(6) 0.4941(4) 0.4781(3) 0.032(2) Uani 1 1 d . . . . .
H8 H 0.7031 0.4651 0.4557 0.038 Uiso 1 1 calc R U . . .
B9 B 0.8078(5) 0.5238(4) 0.4771(3) 0.030(2) Uani 1 1 d . . . . .
H9 H 0.8401 0.5182 0.4519 0.036 Uiso 1 1 calc R U . . .
B10 B 0.7840(5) 0.4690(4) 0.5096(3) 0.034(2) Uani 1 1 d . . . . .
H10 H 0.7998 0.4227 0.5090 0.040 Uiso 1 1 calc R U . . .
B11 B 0.7481(6) 0.8150(5) 0.7119(3) 0.037(2) Uani 1 1 d . . . . .
H11 H 0.7306 0.8409 0.6879 0.045 Uiso 1 1 calc R U . . .
B12 B 0.7338(6) 0.8096(5) 0.7591(3) 0.045(3) Uani 1 1 d . . . . .
H12 H 0.7158 0.8496 0.7733 0.055 Uiso 1 1 calc R U . . .
B13 B 0.7940(7) 0.7568(5) 0.7763(3) 0.046(3) Uani 1 1 d . . . . .
H13 H 0.8222 0.7583 0.8030 0.055 Uiso 1 1 calc R U . . .
B14 B 0.8314(6) 0.7283(5) 0.7329(3) 0.038(2) Uani 1 1 d . . . . .
H14 H 0.8828 0.7074 0.7261 0.046 Uiso 1 1 calc R U . . .
B15 B 0.8232(6) 0.8067(5) 0.7432(3) 0.044(3) Uani 1 1 d . . . . .
H15 H 0.8651 0.8383 0.7510 0.052 Uiso 1 1 calc R U . . .
C1 C 0.6903(4) 0.5982(3) 0.5088(2) 0.0275(18) Uani 1 1 d . . . . .
C2 C 0.6415(4) 0.6990(4) 0.4690(2) 0.0301(19) Uani 1 1 d . . . . .
C3 C 0.6617(5) 0.7578(4) 0.4662(2) 0.033(2) Uani 1 1 d . . . . .
H3A H 0.6770 0.7779 0.4873 0.040 Uiso 1 1 calc R U . . .
C4 C 0.6590(5) 0.7856(4) 0.4332(2) 0.042(2) Uani 1 1 d . . . . .
H4A H 0.6729 0.8247 0.4315 0.050 Uiso 1 1 calc R U . . .
C5 C 0.6364(7) 0.7570(5) 0.4027(3) 0.055(3) Uani 1 1 d . . . . .
H5A H 0.6347 0.7765 0.3800 0.066 Uiso 1 1 calc R U . . .
C6 C 0.6160(6) 0.6998(5) 0.4049(3) 0.053(3) Uani 1 1 d . . . . .
H6A H 0.5996 0.6805 0.3838 0.064 Uiso 1 1 calc R U . . .
C7 C 0.6195(5) 0.6708(4) 0.4377(2) 0.039(2) Uani 1 1 d . . . . .
H7A H 0.6067 0.6314 0.4388 0.047 Uiso 1 1 calc R U . . .
C8 C 0.5593(4) 0.6514(3) 0.5284(2) 0.0280(18) Uani 1 1 d . . . . .
C9 C 0.5056(4) 0.6312(4) 0.5058(3) 0.037(2) Uani 1 1 d . . . . .
H9A H 0.5146 0.6248 0.4807 0.044 Uiso 1 1 calc R U . . .
C10 C 0.4393(4) 0.6205(4) 0.5201(3) 0.041(2) Uani 1 1 d . . . . .
H10A H 0.4030 0.6065 0.5046 0.049 Uiso 1 1 calc R U . . .
C11 C 0.4254(5) 0.6298(4) 0.5561(3) 0.047(3) Uani 1 1 d . . . . .
H11A H 0.3794 0.6231 0.5652 0.056 Uiso 1 1 calc R U . . .
C12 C 0.4773(5) 0.6485(4) 0.5789(3) 0.039(2) Uani 1 1 d . . . . .
H12A H 0.4673 0.6544 0.6039 0.047 Uiso 1 1 calc R U . . .
C13 C 0.5450(5) 0.6590(3) 0.5656(2) 0.0313(19) Uani 1 1 d . . . . .
H13A H 0.5813 0.6713 0.5816 0.038 Uiso 1 1 calc R U . . .
C90 C 0.8198(4) 0.5704(3) 0.5422(2) 0.0263(17) Uani 1 1 d . . . . .
C15 C 0.8813(4) 0.5762(3) 0.6152(2) 0.0256(17) Uani 1 1 d . . . . .
C16 C 0.9008(4) 0.5186(4) 0.6158(2) 0.0313(19) Uani 1 1 d . . . . .
H16 H 0.9040 0.4976 0.5937 0.038 Uiso 1 1 calc R U . . .
C17 C 0.9154(5) 0.4919(4) 0.6484(3) 0.039(2) Uani 1 1 d . . . . .
H17 H 0.9280 0.4524 0.6486 0.046 Uiso 1 1 calc R U . . .
C18 C 0.9118(5) 0.5218(4) 0.6804(3) 0.043(2) Uani 1 1 d . . . . .
H18 H 0.9222 0.5030 0.7026 0.052 Uiso 1 1 calc R U . . .
C19 C 0.8932(5) 0.5792(4) 0.6804(2) 0.039(2) Uani 1 1 d . . . . .
H19 H 0.8910 0.5999 0.7026 0.047 Uiso 1 1 calc R U . . .
C20 C 0.8775(4) 0.6064(4) 0.6477(2) 0.0309(19) Uani 1 1 d . . . . .
H20 H 0.8643 0.6457 0.6476 0.037 Uiso 1 1 calc R U . . .
C21 C 0.9470(4) 0.6343(3) 0.5552(2) 0.0252(17) Uani 1 1 d . . . . .
C22 C 1.0026(4) 0.5952(4) 0.5528(2) 0.0322(19) Uani 1 1 d . . . . .
H22 H 0.9958 0.5568 0.5607 0.039 Uiso 1 1 calc R U . . .
C23 C 1.0674(4) 0.6114(4) 0.5392(2) 0.035(2) Uani 1 1 d . . . . .
H23 H 1.1048 0.5844 0.5379 0.042 Uiso 1 1 calc R U . . .
C24 C 1.0776(5) 0.6674(4) 0.5273(3) 0.039(2) Uani 1 1 d . . . . .
H24 H 1.1221 0.6788 0.5181 0.047 Uiso 1 1 calc R U . . .
C25 C 1.0230(5) 0.7067(4) 0.5288(3) 0.039(2) Uani 1 1 d . . . . .
H25 H 1.0299 0.7448 0.5203 0.047 Uiso 1 1 calc R U . . .
C26 C 0.9584(4) 0.6905(4) 0.5427(2) 0.0312(19) Uani 1 1 d . . . . .
H26 H 0.9212 0.7177 0.5438 0.037 Uiso 1 1 calc R U . . .
C27 C 0.8151(4) 0.7792(4) 0.7032(2) 0.0327(19) Uani 1 1 d . . . . .
C28 C 0.8745(4) 0.8749(4) 0.6642(2) 0.0317(19) Uani 1 1 d . . . . .
C29 C 0.9255(5) 0.9030(4) 0.6840(3) 0.043(2) Uani 1 1 d . . . . .
H29 H 0.9582 0.8813 0.6978 0.051 Uiso 1 1 calc R U . . .
C30 C 0.9302(5) 0.9626(4) 0.6840(3) 0.050(3) Uani 1 1 d . . . . .
H30 H 0.9662 0.9809 0.6976 0.060 Uiso 1 1 calc R U . . .
C31 C 0.8833(6) 0.9954(4) 0.6645(3) 0.046(2) Uani 1 1 d . . . . .
H31 H 0.8861 1.0361 0.6650 0.055 Uiso 1 1 calc R U . . .
C32 C 0.8322(6) 0.9682(4) 0.6443(3) 0.046(2) Uani 1 1 d . . . . .
H32 H 0.7998 0.9902 0.6304 0.055 Uiso 1 1 calc R U . . .
C33 C 0.8279(5) 0.9085(4) 0.6443(2) 0.039(2) Uani 1 1 d . . . . .
H33 H 0.7922 0.8903 0.6304 0.047 Uiso 1 1 calc R U . . .
C34 C 0.9485(5) 0.7659(4) 0.6657(2) 0.033(2) Uani 1 1 d . . . . .
C35 C 0.9730(5) 0.7373(4) 0.6350(3) 0.038(2) Uani 1 1 d . . . . .
H35 H 0.9438 0.7348 0.6141 0.045 Uiso 1 1 calc R U . . .
C36 C 1.0389(5) 0.7125(4) 0.6344(3) 0.047(2) Uani 1 1 d . . . . .
H36 H 1.0548 0.6929 0.6133 0.056 Uiso 1 1 calc R U . . .
C37 C 1.0816(6) 0.7163(5) 0.6647(3) 0.056(3) Uani 1 1 d . . . . .
H37 H 1.1277 0.7005 0.6642 0.067 Uiso 1 1 calc R U . . .
C38 C 1.0572(6) 0.7434(5) 0.6963(3) 0.056(3) Uani 1 1 d . . . . .
H38 H 1.0860 0.7450 0.7173 0.068 Uiso 1 1 calc R U . . .
C39 C 0.9914(5) 0.7676(4) 0.6967(3) 0.045(2) Uani 1 1 d . . . . .
H39 H 0.9748 0.7857 0.7181 0.055 Uiso 1 1 calc R U . . .
C40 C 0.2288(9) 0.4587(5) 0.6905(4) 0.083(5) Uani 1 1 d . . . . .
C41 C 0.2632(7) 0.4832(5) 0.7202(3) 0.060(3) Uani 1 1 d . . . . .
C42 C 0.3244(7) 0.5132(7) 0.7072(3) 0.075(4) Uani 1 1 d . . . . .
C43 C 0.3249(11) 0.5056(10) 0.6682(4) 0.116(8) Uani 1 1 d . . . . .
C44 C 0.2682(13) 0.4700(7) 0.6588(4) 0.104(7) Uani 1 1 d . . . . .
C45 C 0.1659(11) 0.4216(9) 0.6926(5) 0.116(3) Uani 1 1 d . . . . .
C46 C 0.2423(10) 0.4791(9) 0.7603(5) 0.116(3) Uani 1 1 d . . . . .
C47 C 0.3774(10) 0.5492(9) 0.7286(5) 0.116(3) Uani 1 1 d . . . . .
C48 C 0.3834(10) 0.5343(9) 0.6435(5) 0.116(3) Uani 1 1 d . . . . .
C49 C 0.2497(10) 0.4493(9) 0.6217(5) 0.116(3) Uani 1 1 d . . . . .
C50 C 0.1453(5) 0.5752(4) 0.6585(3) 0.041(2) Uani 1 1 d . . . . .
C51 C 0.1414(6) 0.5830(6) 0.6969(3) 0.062(3) Uani 1 1 d . . . . .
C52 C 0.2000(7) 0.6164(6) 0.7076(4) 0.068(4) Uani 1 1 d . . . . .
C53 C 0.2402(7) 0.6289(6) 0.6754(4) 0.076(4) Uani 1 1 d . . . . .
C54 C 0.2057(6) 0.6040(5) 0.6454(3) 0.050(3) Uani 1 1 d . . . . .
C55 C 0.0913(6) 0.5452(6) 0.6353(3) 0.064(3) Uani 1 1 d . . . . .
C56 C 0.0825(7) 0.5598(9) 0.7211(4) 0.100(6) Uani 1 1 d . . . . .
C57 C 0.2142(10) 0.6355(9) 0.7465(5) 0.131(8) Uani 1 1 d . . . . .
C58 C 0.3044(10) 0.6675(8) 0.6739(7) 0.139(8) Uani 1 1 d . . . . .
C59 C 0.2264(7) 0.6073(7) 0.6057(3) 0.076(4) Uani 1 1 d . . . . .
C81 C 1.0014(7) 0.8520(8) 0.2995(5) 0.099(3) Uani 1 1 d D . . . .
C82 C 0.9353(7) 0.8737(7) 0.3003(4) 0.086(2) Uani 1 1 d D . . . .
H82A H 0.9267 0.8916 0.3239 0.129 Uiso 1 1 calc R U . . .
H82B H 0.9013 0.8427 0.2964 0.129 Uiso 1 1 calc R U . . .
H82C H 0.9301 0.9025 0.2811 0.129 Uiso 1 1 calc R U . . .
C83 C 0.0410(8) 0.6724(8) 0.2933(4) 0.099(3) Uani 1 1 d D . . . .
C84 C -0.0171(7) 0.6933(7) 0.3103(4) 0.086(2) Uani 1 1 d D . . . .
H84A H -0.0313 0.6668 0.3296 0.129 Uiso 1 1 calc R U . . .
H84B H -0.0555 0.6971 0.2927 0.129 Uiso 1 1 calc R U . . .
H84C H -0.0064 0.7309 0.3208 0.129 Uiso 1 1 calc R U . . .
C85 C 0.4907(9) 0.5510(7) 0.4070(5) 0.099(3) Uani 1 1 d D . . . .
C86 C 0.4812(8) 0.5047(6) 0.4290(4) 0.086(2) Uani 1 1 d D . . . .
H86A H 0.4543 0.5162 0.4505 0.129 Uiso 1 1 calc R U . . .
H86B H 0.5271 0.4896 0.4366 0.129 Uiso 1 1 calc R U . . .
H86C H 0.4553 0.4748 0.4158 0.129 Uiso 1 1 calc R U . . .
C87 C 0.0274(9) 0.3979(8) 0.5838(4) 0.099(3) Uani 1 1 d D . . . .
C88 C 0.0154(8) 0.4023(7) 0.5473(3) 0.086(2) Uani 1 1 d D . . . .
H88A H 0.0413 0.4354 0.5377 0.129 Uiso 1 1 calc R U . . .
H88B H -0.0351 0.4076 0.5430 0.129 Uiso 1 1 calc R U . . .
H88C H 0.0313 0.3672 0.5352 0.129 Uiso 1 1 calc R U . . .
Co1 Co 0.23328(7) 0.54318(6) 0.68303(3) 0.0427(4) Uani 1 1 d . . . . .
Co2 Co 0.2500 0.7500 0.40334(5) 0.0419(4) Uani 1 2 d DS T P . .
N1 N 1.0574(8) 0.8328(8) 0.3018(6) 0.164(4) Uani 1 1 d D . . . .
N2 N 0.0950(9) 0.6632(8) 0.2798(6) 0.164(4) Uani 1 1 d D . . . .
N3 N 0.4931(10) 0.5904(8) 0.3880(6) 0.164(4) Uani 1 1 d D . . . .
N4 N 0.0389(11) 0.3931(9) 0.6143(4) 0.164(4) Uani 1 1 d D . . . .
Nd01 Nd 0.7500 0.7500 0.58380(2) 0.01818(18) Uani 1 2 d S T P . .
O1 O 0.6831(3) 0.7051(2) 0.53889(14) 0.0234(12) Uani 1 1 d . . . . .
O2 O 0.8223(3) 0.6686(2) 0.58268(14) 0.0254(12) Uani 1 1 d . . . . .
O3 O 0.8268(3) 0.7814(2) 0.62966(15) 0.0312(13) Uani 1 1 d . . . . .
P1 P 0.64834(10) 0.66412(8) 0.51237(6) 0.0235(4) Uani 1 1 d . . . . .
P2 P 0.86213(10) 0.61425(8) 0.57336(6) 0.0230(4) Uani 1 1 d . . . . .
P3 P 0.86206(11) 0.79761(9) 0.66480(6) 0.0293(5) Uani 1 1 d . . . . .


_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
C60 C61 1.381(14) . ?
C60 C64 1.382(14) . ?
C60 C65 1.524(15) . ?
C60 Co2 2.067(18) . ?
C61 C61 1.20(4) 2_565 ?
C61 C62 1.381(14) . ?
C61 C66 1.524(15) . ?
C61 Co2 2.002(18) . ?
C62 C63 1.388(14) . ?
C62 C67 1.539(15) . ?
C62 Co2 1.95(2) . ?
C63 C64 1.375(14) . ?
C63 C68 1.523(15) . ?
C63 Co2 1.99(3) . ?
C64 C69 1.521(15) . ?
C64 Co2 2.02(3) . ?
C65 C67 1.56(3) 2_565 ?
C66 C61 1.524(15) 2_565 ?
C67 C65 1.56(3) 2_565 ?
C70 C71 1.373(14) . ?
C70 C72 1.84(2) 2_565 ?
C70 C74 1.394(14) . ?
C70 C75 1.520(15) . ?
C70 C77 1.96(2) 2_565 ?
C70 Co2 2.029(18) . ?
C71 C72 1.384(14) . ?
C71 C72 1.21(2) 2_565 ?
C71 C73 1.02(2) 2_565 ?
C71 C77 1.97(2) 2_565 ?
C71 C78 1.58(2) 2_565 ?
C71 Co2 2.020(19) . ?
C72 C70 1.84(2) 2_565 ?
C72 C71 1.21(2) 2_565 ?
C72 C72 0.51(3) 2_565 ?
C72 C73 1.386(14) . ?
C72 C73 1.16(2) 2_565 ?
C72 C74 1.84(2) 2_565 ?
C72 C77 1.525(14) . ?
C72 C77 1.97(2) 2_565 ?
C72 Co2 2.015(17) . ?
C73 C71 1.02(2) 2_565 ?
C73 C72 1.16(2) 2_565 ?
C73 C74 1.388(14) . ?
C73 C77 1.82(3) 2_565 ?
C73 C78 1.531(15) . ?
C73 Co2 2.13(2) . ?
C74 C72 1.84(2) 2_565 ?
C74 C77 2.01(3) 2_565 ?
C74 C79 1.544(15) . ?
C74 Co2 1.95(3) . ?
C77 C70 1.96(2) 2_565 ?
C77 C71 1.97(2) 2_565 ?
C77 C72 1.97(2) 2_565 ?
C77 C73 1.82(3) 2_565 ?
C77 C74 2.01(3) 2_565 ?
C78 C71 1.58(2) 2_565 ?
B1 H1 1.1200 . ?
B1 B3 1.858(14) . ?
B1 B5 1.808(14) . ?
B1 B7 1.966(13) . ?
B1 B10 1.840(14) . ?
B1 C90 1.612(13) . ?
B2 H2 1.1200 . ?
B2 B3 1.849(13) . ?
B2 B4 1.964(13) . ?
B2 B9 1.737(13) . ?
B2 C90 1.531(12) . ?
B3 H3 1.1200 . ?
B3 B9 1.799(14) . ?
B3 B10 1.755(14) . ?
B3 C90 1.611(12) . ?
B4 H4 1.1200 . ?
B4 B6 1.864(14) . ?
B4 B8 1.848(13) . ?
B4 B9 1.815(13) . ?
B4 C1 1.622(12) . ?
B5 H5 1.1200 . ?
B5 B6 1.824(13) . ?
B5 B7 1.751(13) . ?
B5 B8 1.795(14) . ?
B5 B10 1.765(14) . ?
B6 H6 1.1200 . ?
B6 B7 1.867(13) . ?
B6 B8 1.762(14) . ?
B6 C1 1.610(12) . ?
B7 H7 1.1200 . ?
B7 C1 1.546(12) . ?
B8 H8 1.1200 . ?
B8 B9 1.789(14) . ?
B8 B10 1.765(14) . ?
B9 H9 1.1200 . ?
B9 B10 1.807(14) . ?
B10 H10 1.1200 . ?
B11 H11 1.1200 . ?
B11 B12 1.764(15) . ?
B11 B14 1.974(15) 2_665 ?
B11 B15 1.846(17) . ?
B11 C27 1.555(14) . ?
B12 H12 1.1200 . ?
B12 B13 1.795(18) . ?
B12 B13 1.753(17) 2_665 ?
B12 B14 1.803(16) 2_665 ?
B12 B15 1.797(16) . ?
B13 B12 1.753(17) 2_665 ?
B13 B13 1.70(2) 2_665 ?
B13 H13 1.1200 . ?
B13 B14 1.872(16) . ?
B13 B15 1.773(16) . ?
B14 B11 1.974(15) 2_665 ?
B14 B12 1.803(16) 2_665 ?
B14 H14 1.1200 . ?
B14 B15 1.872(16) . ?
B14 C27 1.642(14) . ?
B15 H15 1.1200 . ?
B15 C27 1.615(14) . ?
C1 P1 1.734(8) . ?
C2 C3 1.424(12) . ?
C2 C7 1.390(12) . ?
C2 P1 1.798(8) . ?
C3 H3A 0.9500 . ?
C3 C4 1.380(12) . ?
C4 H4A 0.9500 . ?
C4 C5 1.375(14) . ?
C5 H5A 0.9500 . ?
C5 C6 1.390(15) . ?
C6 H6A 0.9500 . ?
C6 C7 1.387(13) . ?
C7 H7A 0.9500 . ?
C8 C9 1.398(11) . ?
C8 C13 1.405(12) . ?
C8 P1 1.818(8) . ?
C9 H9A 0.9500 . ?
C9 C10 1.389(13) . ?
C10 H10A 0.9500 . ?
C10 C11 1.368(14) . ?
C11 H11A 0.9500 . ?
C11 C12 1.368(13) . ?
C12 H12A 0.9500 . ?
C12 C13 1.400(12) . ?
C13 H13A 0.9500 . ?
C90 P2 1.734(8) . ?
C15 C16 1.393(11) . ?
C15 C20 1.389(12) . ?
C15 P2 1.813(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.371(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(14) . ?
C19 H19 0.9500 . ?
C19 C20 1.394(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.398(11) . ?
C21 C26 1.403(11) . ?
C21 P2 1.808(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.382(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.388(13) . ?
C24 H24 0.9500 . ?
C24 C25 1.386(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.383(12) . ?
C26 H26 0.9500 . ?
C27 P3 1.727(9) . ?
C28 C29 1.378(12) . ?
C28 C33 1.390(13) . ?
C28 P3 1.816(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.390(14) . ?
C30 H30 0.9500 . ?
C30 C31 1.374(15) . ?
C31 H31 0.9500 . ?
C31 C32 1.378(14) . ?
C32 H32 0.9500 . ?
C32 C33 1.393(13) . ?
C33 H33 0.9500 . ?
C34 C35 1.394(13) . ?
C34 C39 1.403(13) . ?
C34 P3 1.802(9) . ?
C35 H35 0.9500 . ?
C35 C36 1.379(13) . ?
C36 H36 0.9500 . ?
C36 C37 1.384(15) . ?
C37 H37 0.9500 . ?
C37 C38 1.401(16) . ?
C38 H38 0.9500 . ?
C38 C39 1.371(15) . ?
C39 H39 0.9500 . ?
C40 C41 1.397(17) . ?
C40 C44 1.41(2) . ?
C40 C45 1.47(2) . ?
C40 Co1 1.989(13) . ?
C41 C42 1.440(18) . ?
C41 C46 1.53(2) . ?
C41 Co1 2.035(11) . ?
C42 C43 1.45(2) . ?
C42 C47 1.53(2) . ?
C42 Co1 2.069(12) . ?
C43 C44 1.40(3) . ?
C43 C48 1.58(3) . ?
C43 Co1 2.023(15) . ?
C44 C49 1.49(2) . ?
C44 Co1 2.035(14) . ?
C50 C51 1.429(14) . ?
C50 C54 1.415(14) . ?
C50 C55 1.506(14) . ?
C50 Co1 2.042(9) . ?
C51 C52 1.415(17) . ?
C51 C56 1.528(18) . ?
C51 Co1 2.043(11) . ?
C52 C53 1.44(2) . ?
C52 C57 1.521(18) . ?
C52 Co1 2.031(11) . ?
C53 C54 1.407(17) . ?
C53 C58 1.52(2) . ?
C53 Co1 2.019(13) . ?
C54 C59 1.519(16) . ?
C54 Co1 2.050(10) . ?
C81 C82 1.355(12) . ?
C81 N1 1.156(12) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C84 1.358(12) . ?
C83 N2 1.160(12) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 C86 1.362(12) . ?
C85 N3 1.155(12) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 C88 1.365(11) . ?
C87 N4 1.150(12) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
Co2 C61 2.002(18) 2_565 ?
Co2 C62 1.95(2) 2_565 ?
Co2 C63 1.99(3) 2_565 ?
Co2 C64 2.02(3) 2_565 ?
Co2 C72 2.015(17) 2_565 ?
Co2 C74 1.95(3) 2_565 ?
Nd01 O1 2.334(5) . ?
Nd01 O1 2.334(5) 2_665 ?
Nd01 O2 2.342(5) 2_665 ?
Nd01 O2 2.342(5) . ?
Nd01 O3 2.349(5) . ?
Nd01 O3 2.349(5) 2_665 ?
O1 P1 1.516(5) . ?
O2 P2 1.514(5) . ?
O3 P3 1.505(6) . ?

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
C61 C60 C64 107.9(4) . . ?
C61 C60 C65 126(2) . . ?
C61 C60 Co2 67.6(6) . . ?
C64 C60 C65 126(2) . . ?
C64 C60 Co2 68.6(12) . . ?
C65 C60 Co2 126.9(12) . . ?
C60 C61 C66 125(2) . . ?
C60 C61 Co2 72.7(7) . . ?
C61 C61 C60 115(3) 2_565 . ?
C61 C61 C62 107(3) 2_565 . ?
C61 C61 C66 66.8(7) 2_565 . ?
C61 C61 Co2 72.6(5) 2_565 . ?
C62 C61 C60 108.2(4) . . ?
C62 C61 C66 125(2) . . ?
C62 C61 Co2 67.6(7) . . ?
C66 C61 Co2 139.4(11) . . ?
C61 C62 C63 107.6(4) . . ?
C61 C62 C67 125(2) . . ?
C61 C62 Co2 71.5(7) . . ?
C63 C62 C67 127(2) . . ?
C63 C62 Co2 70.8(13) . . ?
C67 C62 Co2 122.2(14) . . ?
C62 C63 C68 124(2) . . ?
C62 C63 Co2 67.9(11) . . ?
C64 C63 C62 108.1(4) . . ?
C64 C63 C68 128(2) . . ?
C64 C63 Co2 71.4(15) . . ?
C68 C63 Co2 129(2) . . ?
C60 C64 C69 126(2) . . ?
C60 C64 Co2 71.9(11) . . ?
C63 C64 C60 108.1(4) . . ?
C63 C64 C69 125(2) . . ?
C63 C64 Co2 68.6(15) . . ?
C69 C64 Co2 131(2) . . ?
C60 C65 C67 96.5(11) . 2_565 ?
C61 C66 C61 46.3(14) . 2_565 ?
C62 C67 C65 106.8(14) . 2_565 ?
C71 C70 C72 41.2(7) . 2_565 ?
C71 C70 C74 107.9(4) . . ?
C71 C70 C75 126.6(6) . . ?
C71 C70 C77 70.2(9) . 2_565 ?
C71 C70 Co2 69.8(6) . . ?
C72 C70 C77 47.3(7) 2_565 2_565 ?
C72 C70 Co2 62.6(5) 2_565 . ?
C74 C70 C72 68.0(7) . 2_565 ?
C74 C70 C75 125.5(6) . . ?
C74 C70 C77 71.6(13) . 2_565 ?
C74 C70 Co2 66.7(12) . . ?
C75 C70 C72 163.1(12) . 2_565 ?
C75 C70 C77 123.1(15) . 2_565 ?
C75 C70 Co2 129.6(13) . . ?
C77 C70 Co2 107.3(8) 2_565 . ?
C70 C71 C72 108.4(4) . . ?
C70 C71 C77 68.9(9) . 2_565 ?
C70 C71 C78 132.6(10) . 2_565 ?
C70 C71 Co2 70.5(6) . . ?
C72 C71 C70 90.4(13) 2_565 . ?
C72 C71 C72 21.3(14) 2_565 . ?
C72 C71 C77 69.4(9) . 2_565 ?
C72 C71 C77 50.5(11) 2_565 2_565 ?
C72 C71 C78 119.0(10) . 2_565 ?
C72 C71 C78 135.7(15) 2_565 2_565 ?
C72 C71 Co2 72.3(7) 2_565 . ?
C72 C71 Co2 69.7(6) . . ?
C73 C71 C70 152.1(17) 2_565 . ?
C73 C71 C72 76.4(15) 2_565 2_565 ?
C73 C71 C72 55.3(12) 2_565 . ?
C73 C71 C77 116.7(18) 2_565 2_565 ?
C73 C71 C78 68.4(10) 2_565 2_565 ?
C73 C71 Co2 82.0(17) 2_565 . ?
C77 C71 Co2 106.9(8) 2_565 . ?
C78 C71 C77 126.5(13) 2_565 2_565 ?
C78 C71 Co2 125.9(14) 2_565 . ?
C70 C72 C77 154.0(12) 2_565 2_565 ?
C70 C72 Co2 63.4(8) 2_565 . ?
C71 C72 C70 48.4(9) 2_565 2_565 ?
C71 C72 C70 123.2(12) . 2_565 ?
C71 C72 C71 139.0(13) 2_565 . ?
C71 C72 C73 107.0(4) . . ?
C71 C72 C73 45.6(13) 2_565 . ?
C71 C72 C74 91.8(14) 2_565 2_565 ?
C71 C72 C74 85.0(9) . 2_565 ?
C71 C72 C77 106.3(15) 2_565 2_565 ?
C71 C72 C77 91.7(15) 2_565 . ?
C71 C72 C77 69.6(9) . 2_565 ?
C71 C72 C77 125.6(5) . . ?
C71 C72 Co2 72.8(8) 2_565 . ?
C71 C72 Co2 70.2(7) . . ?
C72 C72 C70 137.5(19) 2_565 2_565 ?
C72 C72 C71 99(3) 2_565 2_565 ?
C72 C72 C71 60(2) 2_565 . ?
C72 C72 C73 106(3) 2_565 2_565 ?
C72 C72 C73 54(2) 2_565 . ?
C72 C72 C74 136.7(17) 2_565 2_565 ?
C72 C72 C77 147.6(9) 2_565 . ?
C72 C72 C77 24.5(6) 2_565 2_565 ?
C72 C72 Co2 82.8(5) 2_565 . ?
C73 C72 C70 91.2(14) . 2_565 ?
C73 C72 C70 93.3(15) 2_565 2_565 ?
C73 C72 C71 140(2) 2_565 2_565 ?
C73 C72 C71 46.2(14) 2_565 . ?
C73 C72 C73 149(2) 2_565 . ?
C73 C72 C74 48.8(9) 2_565 2_565 ?
C73 C72 C74 127.0(19) . 2_565 ?
C73 C72 C77 62.8(13) . 2_565 ?
C73 C72 C77 84.2(16) 2_565 . ?
C73 C72 C77 109.2(16) 2_565 2_565 ?
C73 C72 C77 126.3(5) . . ?
C73 C72 Co2 79.4(15) 2_565 . ?
C73 C72 Co2 75.1(12) . . ?
C74 C72 C70 44.5(6) 2_565 2_565 ?
C74 C72 C77 154.5(12) 2_565 2_565 ?
C74 C72 Co2 60.7(10) 2_565 . ?
C77 C72 C70 70.6(10) . 2_565 ?
C77 C72 C74 72.7(11) . 2_565 ?
C77 C72 C77 123.1(14) . 2_565 ?
C77 C72 Co2 129.7(12) . . ?
C77 C72 Co2 107.3(8) 2_565 . ?
C71 C73 C72 58.0(12) 2_565 . ?
C71 C73 C72 78.5(16) 2_565 2_565 ?
C71 C73 C74 132(3) 2_565 . ?
C71 C73 C77 129.1(19) 2_565 2_565 ?
C71 C73 C78 73.3(11) 2_565 . ?
C71 C73 Co2 69.8(17) 2_565 . ?
C72 C73 C72 20.7(14) 2_565 . ?
C72 C73 C74 107.7(5) . . ?
C72 C73 C74 92.2(13) 2_565 . ?
C72 C73 C77 56.4(14) 2_565 2_565 ?
C72 C73 C77 74.5(13) . 2_565 ?
C72 C73 C78 124.7(6) . . ?
C72 C73 C78 142.8(14) 2_565 . ?
C72 C73 Co2 68.3(12) 2_565 . ?
C72 C73 Co2 66.0(10) . . ?
C74 C73 C77 76.4(14) . 2_565 ?
C74 C73 C78 124.8(7) . . ?
C74 C73 Co2 63.4(12) . . ?
C77 C73 Co2 108.4(9) 2_565 . ?
C78 C73 C77 130.1(19) . 2_565 ?
C78 C73 Co2 121.6(16) . . ?
C70 C74 C72 67.4(7) . 2_565 ?
C70 C74 C77 67.3(12) . 2_565 ?
C70 C74 C79 125.9(6) . . ?
C70 C74 Co2 72.4(11) . . ?
C72 C74 C77 46.3(7) 2_565 2_565 ?
C72 C74 Co2 64.0(7) 2_565 . ?
C73 C74 C70 106.4(5) . . ?
C73 C74 C72 39.0(7) . 2_565 ?
C73 C74 C77 61.5(13) . 2_565 ?
C73 C74 C79 124.7(8) . . ?
C73 C74 Co2 77.2(12) . . ?
C79 C74 C72 160.0(17) . 2_565 ?
C79 C74 C77 120.7(19) . 2_565 ?
C79 C74 Co2 131.2(18) . . ?
Co2 C74 C77 108.0(8) . 2_565 ?
C70 C77 C71 40.9(5) 2_565 2_565 ?
C70 C77 C72 69.4(7) 2_565 2_565 ?
C70 C77 C74 41.1(5) 2_565 2_565 ?
C71 C77 C74 68.2(8) 2_565 2_565 ?
C72 C77 C70 62.2(10) . 2_565 ?
C72 C77 C71 37.8(8) . 2_565 ?
C72 C77 C71 41.0(5) 2_565 2_565 ?
C72 C77 C72 7.9(5) . 2_565 ?
C72 C77 C73 39.4(8) . 2_565 ?
C72 C77 C74 68.4(8) 2_565 2_565 ?
C72 C77 C74 61.0(9) . 2_565 ?
C73 C77 C70 72.2(9) 2_565 2_565 ?
C73 C77 C71 71.7(8) 2_565 2_565 ?
C73 C77 C72 42.6(5) 2_565 2_565 ?
C73 C77 C74 42.1(6) 2_565 2_565 ?
C73 C78 C71 38.2(9) . 2_565 ?
B3 B1 H1 122.1 . . ?
B3 B1 B7 122.7(7) . . ?
B5 B1 H1 120.0 . . ?
B5 B1 B3 109.3(7) . . ?
B5 B1 B7 55.1(5) . . ?
B5 B1 B10 57.8(5) . . ?
B7 B1 H1 110.0 . . ?
B10 B1 H1 132.2 . . ?
B10 B1 B3 56.6(5) . . ?
B10 B1 B7 104.0(6) . . ?
C90 B1 H1 108.5 . . ?
C90 B1 B3 54.8(5) . . ?
C90 B1 B5 126.4(7) . . ?
C90 B1 B7 88.9(6) . . ?
C90 B1 B10 104.7(7) . . ?
B3 B2 H2 141.0 . . ?
B3 B2 B4 108.4(6) . . ?
B4 B2 H2 109.8 . . ?
B9 B2 H2 140.0 . . ?
B9 B2 B3 60.1(5) . . ?
B9 B2 B4 58.4(5) . . ?
C90 B2 H2 111.0 . . ?
C90 B2 B3 56.0(5) . . ?
C90 B2 B4 116.7(7) . . ?
C90 B2 B9 107.8(7) . . ?
B1 B3 H3 130.3 . . ?
B2 B3 B1 90.1(6) . . ?
B2 B3 H3 131.1 . . ?
B9 B3 B1 99.6(7) . . ?
B9 B3 B2 56.8(5) . . ?
B9 B3 H3 124.7 . . ?
B10 B3 B1 61.2(6) . . ?
B10 B3 B2 103.7(7) . . ?
B10 B3 H3 118.7 . . ?
B10 B3 B9 61.1(6) . . ?
C90 B3 B1 54.8(5) . . ?
C90 B3 B2 52.0(5) . . ?
C90 B3 H3 124.9 . . ?
C90 B3 B9 101.5(7) . . ?
C90 B3 B10 108.7(7) . . ?
B2 B4 H4 110.9 . . ?
B6 B4 B2 122.0(6) . . ?
B6 B4 H4 122.0 . . ?
B8 B4 B2 103.5(6) . . ?
B8 B4 H4 132.1 . . ?
B8 B4 B6 56.7(5) . . ?
B9 B4 B2 54.6(5) . . ?
B9 B4 H4 119.7 . . ?
B9 B4 B6 109.9(6) . . ?
B9 B4 B8 58.5(5) . . ?
C1 B4 B2 88.1(6) . . ?
C1 B4 H4 109.3 . . ?
C1 B4 B6 54.5(5) . . ?
C1 B4 B8 104.1(7) . . ?
C1 B4 B9 125.7(7) . . ?
B1 B5 H5 117.1 . . ?
B1 B5 B6 117.4(7) . . ?
B6 B5 H5 117.7 . . ?
B7 B5 B1 67.0(6) . . ?
B7 B5 H5 116.8 . . ?
B7 B5 B6 62.9(5) . . ?
B7 B5 B8 106.9(7) . . ?
B7 B5 B10 117.1(7) . . ?
B8 B5 B1 106.9(7) . . ?
B8 B5 H5 126.6 . . ?
B8 B5 B6 58.3(5) . . ?
B10 B5 B1 62.0(6) . . ?
B10 B5 H5 117.7 . . ?
B10 B5 B6 112.9(7) . . ?
B10 B5 B8 59.5(6) . . ?
B4 B6 H6 130.0 . . ?
B4 B6 B7 90.7(6) . . ?
B5 B6 B4 98.8(6) . . ?
B5 B6 H6 125.6 . . ?
B5 B6 B7 56.6(5) . . ?
B7 B6 H6 130.8 . . ?
B8 B6 B4 61.2(5) . . ?
B8 B6 B5 60.0(5) . . ?
B8 B6 H6 119.2 . . ?
B8 B6 B7 103.4(6) . . ?
C1 B6 B4 55.1(5) . . ?
C1 B6 B5 100.8(6) . . ?
C1 B6 H6 124.9 . . ?
C1 B6 B7 52.2(5) . . ?
C1 B6 B8 108.6(7) . . ?
B1 B7 H7 110.5 . . ?
B5 B7 B1 57.9(5) . . ?
B5 B7 B6 60.4(5) . . ?
B5 B7 H7 140.0 . . ?
B6 B7 B1 108.1(6) . . ?
B6 B7 H7 140.6 . . ?
C1 B7 B1 115.3(7) . . ?
C1 B7 B5 106.8(7) . . ?
C1 B7 B6 55.3(5) . . ?
C1 B7 H7 112.1 . . ?
B4 B8 H8 125.6 . . ?
B5 B8 B4 100.4(6) . . ?
B5 B8 H8 126.6 . . ?
B6 B8 B4 62.1(5) . . ?
B6 B8 B5 61.7(6) . . ?
B6 B8 H8 114.4 . . ?
B6 B8 B9 116.0(7) . . ?
B6 B8 B10 116.0(7) . . ?
B9 B8 B4 59.8(5) . . ?
B9 B8 B5 105.3(7) . . ?
B9 B8 H8 119.8 . . ?
B10 B8 B4 106.7(7) . . ?
B10 B8 B5 59.4(6) . . ?
B10 B8 H8 119.4 . . ?
B10 B8 B9 61.1(6) . . ?
B2 B9 B3 63.0(5) . . ?
B2 B9 B4 67.1(5) . . ?
B2 B9 B8 116.2(7) . . ?
B2 B9 H9 117.2 . . ?
B2 B9 B10 106.2(7) . . ?
B3 B9 B4 117.8(7) . . ?
B3 B9 H9 117.5 . . ?
B3 B9 B10 58.2(5) . . ?
B4 B9 H9 117.0 . . ?
B8 B9 B3 112.3(7) . . ?
B8 B9 B4 61.7(5) . . ?
B8 B9 H9 118.5 . . ?
B8 B9 B10 58.8(6) . . ?
B10 B9 B4 106.3(7) . . ?
B10 B9 H9 127.2 . . ?
B1 B10 H10 125.6 . . ?
B3 B10 B1 62.2(6) . . ?
B3 B10 B5 116.3(7) . . ?
B3 B10 B8 115.7(7) . . ?
B3 B10 B9 60.7(6) . . ?
B3 B10 H10 114.7 . . ?
B5 B10 B1 60.2(5) . . ?
B5 B10 B8 61.1(6) . . ?
B5 B10 B9 105.8(7) . . ?
B5 B10 H10 119.4 . . ?
B8 B10 B1 106.8(7) . . ?
B8 B10 B9 60.1(6) . . ?
B8 B10 H10 119.2 . . ?
B9 B10 B1 99.9(6) . . ?
B9 B10 H10 126.8 . . ?
B12 B11 H11 140.5 . . ?
B12 B11 B14 57.4(6) . 2_665 ?
B12 B11 B15 59.6(6) . . ?
B14 B11 H11 110.9 2_665 . ?
B15 B11 H11 141.2 . . ?
B15 B11 B14 107.1(7) . 2_665 ?
C27 B11 H11 111.6 . . ?
C27 B11 B12 106.9(8) . . ?
C27 B11 B14 115.6(8) . 2_665 ?
C27 B11 B15 55.9(6) . . ?
B11 B12 H12 116.5 . . ?
B11 B12 B13 107.4(8) . . ?
B11 B12 B14 67.2(6) . 2_665 ?
B11 B12 B15 62.4(6) . . ?
B13 B12 B11 117.8(8) 2_665 . ?
B13 B12 H12 118.2 2_665 . ?
B13 B12 H12 126.9 . . ?
B13 B12 B13 57.3(8) 2_665 . ?
B13 B12 B14 106.9(8) . 2_665 ?
B13 B12 B14 63.5(7) 2_665 2_665 ?
B13 B12 B15 111.7(9) 2_665 . ?
B13 B12 B15 59.2(7) . . ?
B14 B12 H12 116.5 2_665 . ?
B15 B12 H12 118.1 . . ?
B15 B12 B14 117.2(8) . 2_665 ?
B12 B13 B12 106.5(8) 2_665 . ?
B12 B13 H13 126.4 . . ?
B12 B13 H13 119.3 2_665 . ?
B12 B13 B14 100.5(7) . . ?
B12 B13 B14 59.6(6) 2_665 . ?
B12 B13 B15 115.1(8) 2_665 . ?
B13 B13 B12 60.1(8) 2_665 . ?
B13 B13 B12 62.6(8) 2_665 2_665 ?
B13 B13 H13 118.4 2_665 . ?
B13 B13 B14 107.9(6) 2_665 . ?
B13 B13 B15 115.4(9) 2_665 . ?
B14 B13 H13 125.4 . . ?
B15 B13 B12 60.5(7) . . ?
B15 B13 H13 115.6 . . ?
B15 B13 B14 61.7(6) . . ?
B11 B14 H14 110.9 2_665 . ?
B12 B14 B11 55.5(6) 2_665 2_665 ?
B12 B14 B13 56.9(6) 2_665 . ?
B12 B14 H14 120.4 2_665 . ?
B12 B14 B15 108.1(8) 2_665 . ?
B13 B14 B11 103.0(7) . 2_665 ?
B13 B14 H14 132.5 . . ?
B15 B14 B11 121.0(8) . 2_665 ?
B15 B14 B13 56.5(6) . . ?
B15 B14 H14 122.9 . . ?
C27 B14 B11 88.0(6) . 2_665 ?
C27 B14 B12 125.5(8) . 2_665 ?
C27 B14 B13 104.0(8) . . ?
C27 B14 H14 109.3 . . ?
C27 B14 B15 54.3(6) . . ?
B11 B15 B14 92.2(7) . . ?
B11 B15 H15 129.8 . . ?
B12 B15 B11 57.9(6) . . ?
B12 B15 B14 100.4(8) . . ?
B12 B15 H15 124.4 . . ?
B13 B15 B11 104.9(8) . . ?
B13 B15 B12 60.4(7) . . ?
B13 B15 B14 61.7(6) . . ?
B13 B15 H15 118.6 . . ?
B14 B15 H15 129.2 . . ?
C27 B15 B11 52.9(6) . . ?
C27 B15 B12 102.8(8) . . ?
C27 B15 B13 109.7(8) . . ?
C27 B15 B14 55.6(6) . . ?
C27 B15 H15 124.1 . . ?
B4 C1 P1 128.2(6) . . ?
B6 C1 B4 70.4(6) . . ?
B6 C1 P1 126.0(6) . . ?
B7 C1 B4 113.8(7) . . ?
B7 C1 B6 72.5(6) . . ?
B7 C1 P1 118.0(6) . . ?
C3 C2 P1 118.5(6) . . ?
C7 C2 C3 118.5(8) . . ?
C7 C2 P1 123.0(7) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 C2 120.2(8) . . ?
C4 C3 H3A 119.9 . . ?
C3 C4 H4A 119.8 . . ?
C5 C4 C3 120.4(9) . . ?
C5 C4 H4A 119.8 . . ?
C4 C5 H5A 119.9 . . ?
C4 C5 C6 120.2(9) . . ?
C6 C5 H5A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C7 C6 C5 120.3(9) . . ?
C7 C6 H6A 119.9 . . ?
C2 C7 H7A 119.8 . . ?
C6 C7 C2 120.4(9) . . ?
C6 C7 H7A 119.8 . . ?
C9 C8 C13 118.9(8) . . ?
C9 C8 P1 122.6(7) . . ?
C13 C8 P1 118.4(6) . . ?
C8 C9 H9A 120.1 . . ?
C10 C9 C8 119.7(9) . . ?
C10 C9 H9A 120.1 . . ?
C9 C10 H10A 119.5 . . ?
C11 C10 C9 120.9(8) . . ?
C11 C10 H10A 119.5 . . ?
C10 C11 H11A 119.8 . . ?
C12 C11 C10 120.5(9) . . ?
C12 C11 H11A 119.8 . . ?
C11 C12 H12A 119.9 . . ?
C11 C12 C13 120.2(9) . . ?
C13 C12 H12A 119.9 . . ?
C8 C13 H13A 120.1 . . ?
C12 C13 C8 119.8(8) . . ?
C12 C13 H13A 120.1 . . ?
B1 C90 B3 70.4(6) . . ?
B1 C90 P2 127.2(6) . . ?
B2 C90 B1 113.1(7) . . ?
B2 C90 B3 72.0(6) . . ?
B2 C90 P2 119.6(6) . . ?
B3 C90 P2 127.8(6) . . ?
C16 C15 P2 122.5(6) . . ?
C20 C15 C16 119.1(8) . . ?
C20 C15 P2 118.4(6) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.1(9) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.7(9) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.2(9) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.2 . . ?
C18 C19 C20 119.6(9) . . ?
C20 C19 H19 120.2 . . ?
C15 C20 C19 120.3(8) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C26 118.1(8) . . ?
C22 C21 P2 122.0(6) . . ?
C26 C21 P2 119.9(6) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 C21 121.2(8) . . ?
C23 C22 H22 119.4 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.7(8) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.2(8) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0(9) . . ?
C26 C25 H25 120.0 . . ?
C21 C26 H26 119.6 . . ?
C25 C26 C21 120.8(8) . . ?
C25 C26 H26 119.6 . . ?
B11 C27 B14 113.9(8) . . ?
B11 C27 B15 71.2(7) . . ?
B11 C27 P3 117.4(7) . . ?
B14 C27 P3 128.8(7) . . ?
B15 C27 B14 70.2(7) . . ?
B15 C27 P3 126.9(7) . . ?
C29 C28 C33 117.4(8) . . ?
C29 C28 P3 123.8(7) . . ?
C33 C28 P3 118.8(7) . . ?
C28 C29 H29 119.4 . . ?
C28 C29 C30 121.3(10) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 H30 119.6 . . ?
C31 C30 C29 120.8(10) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 H31 120.5 . . ?
C30 C31 C32 119.0(9) . . ?
C32 C31 H31 120.5 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0(10) . . ?
C33 C32 H32 120.0 . . ?
C28 C33 C32 121.6(9) . . ?
C28 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C35 C34 C39 118.7(9) . . ?
C35 C34 P3 119.0(7) . . ?
C39 C34 P3 122.3(7) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 121.0(9) . . ?
C36 C35 H35 119.5 . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.6(10) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.2(10) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 120.1 . . ?
C39 C38 C37 119.8(10) . . ?
C39 C38 H38 120.1 . . ?
C34 C39 H39 119.7 . . ?
C38 C39 C34 120.6(10) . . ?
C38 C39 H39 119.7 . . ?
C41 C40 C44 108.8(16) . . ?
C41 C40 C45 125.2(15) . . ?
C41 C40 Co1 71.5(7) . . ?
C44 C40 C45 125.7(16) . . ?
C44 C40 Co1 71.2(8) . . ?
C45 C40 Co1 128.4(12) . . ?
C40 C41 C42 108.5(12) . . ?
C40 C41 C46 127.5(15) . . ?
C40 C41 Co1 67.9(7) . . ?
C42 C41 C46 124.0(13) . . ?
C42 C41 Co1 70.7(7) . . ?
C46 C41 Co1 128.2(10) . . ?
C41 C42 C43 105.9(16) . . ?
C41 C42 C47 128.9(12) . . ?
C41 C42 Co1 68.2(7) . . ?
C43 C42 C47 125.1(16) . . ?
C43 C42 Co1 67.6(8) . . ?
C47 C42 Co1 126.1(11) . . ?
C42 C43 C48 121(2) . . ?
C42 C43 Co1 71.0(8) . . ?
C44 C43 C42 108.2(16) . . ?
C44 C43 C48 130.4(18) . . ?
C44 C43 Co1 70.2(10) . . ?
C48 C43 Co1 125.3(13) . . ?
C40 C44 C49 125(2) . . ?
C40 C44 Co1 67.7(8) . . ?
C43 C44 C40 108.4(13) . . ?
C43 C44 C49 127(2) . . ?
C43 C44 Co1 69.3(9) . . ?
C49 C44 Co1 126.6(12) . . ?
C51 C50 C55 125.8(10) . . ?
C51 C50 Co1 69.6(6) . . ?
C54 C50 C51 108.6(9) . . ?
C54 C50 C55 125.5(9) . . ?
C54 C50 Co1 70.1(6) . . ?
C55 C50 Co1 129.8(8) . . ?
C50 C51 C56 124.8(12) . . ?
C50 C51 Co1 69.5(6) . . ?
C52 C51 C50 107.8(11) . . ?
C52 C51 C56 127.4(12) . . ?
C52 C51 Co1 69.2(6) . . ?
C56 C51 Co1 127.7(10) . . ?
C51 C52 C53 107.3(10) . . ?
C51 C52 C57 124.2(15) . . ?
C51 C52 Co1 70.1(7) . . ?
C53 C52 C57 128.5(15) . . ?
C53 C52 Co1 68.7(7) . . ?
C57 C52 Co1 127.6(10) . . ?
C52 C53 C58 125.0(15) . . ?
C52 C53 Co1 69.6(7) . . ?
C54 C53 C52 108.5(11) . . ?
C54 C53 C58 126.2(16) . . ?
C54 C53 Co1 70.9(7) . . ?
C58 C53 Co1 130.1(12) . . ?
C50 C54 C59 124.2(10) . . ?
C50 C54 Co1 69.5(5) . . ?
C53 C54 C50 107.9(10) . . ?
C53 C54 C59 127.9(11) . . ?
C53 C54 Co1 68.6(7) . . ?
C59 C54 Co1 128.3(9) . . ?
N1 C81 C82 174(2) . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
N2 C83 C84 169(2) . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N3 C85 C86 175(2) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
N4 C87 C88 178(2) . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C40 Co1 C41 40.6(5) . . ?
C40 Co1 C42 69.1(6) . . ?
C40 Co1 C43 69.3(9) . . ?
C40 Co1 C44 41.1(7) . . ?
C40 Co1 C50 112.7(5) . . ?
C40 Co1 C51 112.2(7) . . ?
C40 Co1 C52 139.0(7) . . ?
C40 Co1 C53 178.7(7) . . ?
C40 Co1 C54 140.0(5) . . ?
C41 Co1 C42 41.1(5) . . ?
C41 Co1 C50 140.9(5) . . ?
C41 Co1 C51 112.4(5) . . ?
C41 Co1 C54 178.6(5) . . ?
C43 Co1 C41 69.2(6) . . ?
C43 Co1 C42 41.5(6) . . ?
C43 Co1 C44 40.4(8) . . ?
C43 Co1 C50 137.9(6) . . ?
C43 Co1 C51 178.3(7) . . ?
C43 Co1 C52 138.7(9) . . ?
C43 Co1 C54 109.6(6) . . ?
C44 Co1 C41 68.2(5) . . ?
C44 Co1 C42 68.5(7) . . ?
C44 Co1 C50 112.2(6) . . ?
C44 Co1 C51 140.3(9) . . ?
C44 Co1 C54 111.5(5) . . ?
C50 Co1 C42 178.0(5) . . ?
C50 Co1 C51 41.0(4) . . ?
C50 Co1 C54 40.5(4) . . ?
C51 Co1 C42 139.6(5) . . ?
C51 Co1 C54 68.7(5) . . ?
C52 Co1 C41 111.2(5) . . ?
C52 Co1 C42 110.6(5) . . ?
C52 Co1 C44 179.0(8) . . ?
C52 Co1 C50 68.7(4) . . ?
C52 Co1 C51 40.7(5) . . ?
C52 Co1 C54 69.0(5) . . ?
C53 Co1 C41 138.9(6) . . ?
C53 Co1 C42 109.8(6) . . ?
C53 Co1 C43 109.4(9) . . ?
C53 Co1 C44 138.1(8) . . ?
C53 Co1 C50 68.4(5) . . ?
C53 Co1 C51 69.0(6) . . ?
C53 Co1 C52 41.7(6) . . ?
C53 Co1 C54 40.5(5) . . ?
C54 Co1 C42 137.5(5) . . ?
C61 Co2 C61 34.8(10) 2_565 . ?
C61 Co2 C64 100.4(10) 2_565 . ?
C61 Co2 C64 100.4(10) . 2_565 ?
C61 Co2 C64 67.4(7) 2_565 2_565 ?
C61 Co2 C64 67.4(7) . . ?
C62 Co2 C61 40.9(4) . . ?
C62 Co2 C61 40.9(4) 2_565 2_565 ?
C62 Co2 C61 63.4(13) . 2_565 ?
C62 Co2 C61 63.4(13) 2_565 . ?
C62 Co2 C62 101.7(15) . 2_565 ?
C62 Co2 C63 41.2(5) . . ?
C62 Co2 C63 128.7(10) . 2_565 ?
C62 Co2 C63 128.7(10) 2_565 . ?
C62 Co2 C63 41.3(5) 2_565 2_565 ?
C62 Co2 C64 103.4(7) . 2_565 ?
C62 Co2 C64 103.4(7) 2_565 . ?
C62 Co2 C64 68.5(8) . . ?
C62 Co2 C64 68.5(8) 2_565 2_565 ?
C63 Co2 C61 68.1(7) . . ?
C63 Co2 C61 100.4(10) . 2_565 ?
C63 Co2 C61 100.4(10) 2_565 . ?
C63 Co2 C61 68.1(7) 2_565 2_565 ?
C63 Co2 C63 168.5(14) 2_565 . ?
C63 Co2 C64 40.1(5) . . ?
C63 Co2 C64 40.1(5) 2_565 2_565 ?
C63 Co2 C64 138.1(4) . 2_565 ?
C63 Co2 C64 138.1(4) 2_565 . ?
C64 Co2 C64 167.7(13) 2_565 . ?
C72 Co2 C72 14.5(10) . 2_565 ?
C74 Co2 C72 55.3(7) 2_565 . ?
C74 Co2 C72 68.7(7) 2_565 2_565 ?
C74 Co2 C72 68.7(7) . . ?
C74 Co2 C72 55.3(7) . 2_565 ?
C74 Co2 C74 123.9(11) . 2_565 ?
O1 Nd01 O1 89.7(3) . 2_665 ?
O1 Nd01 O2 91.79(18) 2_665 . ?
O1 Nd01 O2 86.79(18) 2_665 2_665 ?
O1 Nd01 O2 91.79(18) . 2_665 ?
O1 Nd01 O2 86.79(18) . . ?
O1 Nd01 O3 171.01(19) . . ?
O1 Nd01 O3 171.01(19) 2_665 2_665 ?
O1 Nd01 O3 91.81(19) . 2_665 ?
O1 Nd01 O3 91.81(19) 2_665 . ?
O2 Nd01 O2 178.0(3) 2_665 . ?
O2 Nd01 O3 97.14(19) . 2_665 ?
O2 Nd01 O3 84.31(19) . . ?
O2 Nd01 O3 97.14(19) 2_665 . ?
O2 Nd01 O3 84.31(19) 2_665 2_665 ?
O3 Nd01 O3 88.0(3) . 2_665 ?
P1 O1 Nd01 167.3(3) . . ?
P2 O2 Nd01 166.9(3) . . ?
P3 O3 Nd01 166.6(4) . . ?
C1 P1 C2 111.5(4) . . ?
C1 P1 C8 107.9(4) . . ?
C2 P1 C8 107.2(4) . . ?
O1 P1 C1 113.9(3) . . ?
O1 P1 C2 108.7(4) . . ?
O1 P1 C8 107.4(3) . . ?
C90 P2 C15 111.6(4) . . ?
C90 P2 C21 108.8(4) . . ?
C21 P2 C15 105.2(4) . . ?
O2 P2 C90 114.2(4) . . ?
O2 P2 C15 108.4(3) . . ?
O2 P2 C21 108.4(3) . . ?
C27 P3 C28 108.8(4) . . ?
C27 P3 C34 110.8(4) . . ?
C34 P3 C28 106.8(4) . . ?
O3 P3 C27 114.3(4) . . ?
O3 P3 C28 107.2(4) . . ?
O3 P3 C34 108.6(4) . . ?

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
C60 C61 C62 C63 -0.2(16) . . . . ?
C60 C61 C62 C67 178.5(18) . . . . ?
C60 C61 C62 Co2 61.7(8) . . . . ?
C60 C61 C66 C61 -105(3) . . . 2_565 ?
C61 C60 C64 C63 3(3) . . . . ?
C61 C60 C64 C69 175(2) . . . . ?
C61 C60 C64 Co2 -56.2(11) . . . . ?
C61 C60 C65 C67 57.2(15) . . . 2_565 ?
C61 C61 C62 C63 -124(2) 2_565 . . . ?
C61 C61 C62 C67 54(2) 2_565 . . . ?
C61 C61 C62 Co2 -62.3(16) 2_565 . . . ?
C61 C62 C63 C64 2(3) . . . . ?
C61 C62 C63 C68 -174(2) . . . . ?
C61 C62 C63 Co2 62.4(10) . . . . ?
C61 C62 C67 C65 -49(2) . . . 2_565 ?
C62 C61 C66 C61 95(3) . . . 2_565 ?
C62 C63 C64 C60 -3(3) . . . . ?
C62 C63 C64 C69 -176(3) . . . . ?
C62 C63 C64 Co2 58.2(19) . . . . ?
C63 C62 C67 C65 130(2) . . . 2_565 ?
C64 C60 C61 C61 118(2) . . . 2_565 ?
C64 C60 C61 C62 -1.7(16) . . . . ?
C64 C60 C61 C66 -164(2) . . . . ?
C64 C60 C61 Co2 56.8(16) . . . . ?
C64 C60 C65 C67 -119(2) . . . 2_565 ?
C65 C60 C61 C61 -59(2) . . . 2_565 ?
C65 C60 C61 C62 -178.8(17) . . . . ?
C65 C60 C61 C66 19(2) . . . . ?
C65 C60 C61 Co2 -120.3(16) . . . . ?
C65 C60 C64 C63 -180(2) . . . . ?
C65 C60 C64 C69 -8(4) . . . . ?
C65 C60 C64 Co2 120.9(18) . . . . ?
C66 C61 C62 C63 163(2) . . . . ?
C66 C61 C62 C67 -19(2) . . . . ?
C66 C61 C62 Co2 -135.5(14) . . . . ?
C67 C62 C63 C64 -177(2) . . . . ?
C67 C62 C63 C68 7(4) . . . . ?
C67 C62 C63 Co2 -116(2) . . . . ?
C68 C63 C64 C60 173(3) . . . . ?
C68 C63 C64 C69 0(5) . . . . ?
C68 C63 C64 Co2 -126(3) . . . . ?
C70 C71 C72 C70 -96.6(12) . . . 2_565 ?
C70 C71 C72 C71 -34(2) . . . 2_565 ?
C70 C71 C72 C72 33.0(12) . . . 2_565 ?
C70 C71 C72 C73 6.5(14) . . . . ?
C70 C71 C72 C73 -154(2) . . . 2_565 ?
C70 C71 C72 C74 -120.7(13) . . . 2_565 ?
C70 C71 C72 C77 174.6(16) . . . . ?
C70 C71 C72 C77 57.9(9) . . . 2_565 ?
C70 C71 C72 Co2 -60.2(7) . . . . ?
C70 C72 C73 C71 -18.3(14) 2_565 . . 2_565 ?
C70 C72 C73 C72 153.9(14) 2_565 . . 2_565 ?
C70 C72 C73 C74 111(2) 2_565 . . . ?
C70 C72 C73 C77 -179.2(11) 2_565 . . 2_565 ?
C70 C72 C73 C78 -51(2) 2_565 . . . ?
C70 C72 C73 Co2 62.0(7) 2_565 . . . ?
C70 C72 C77 C71 44.4(7) 2_565 . . 2_565 ?
C70 C72 C77 C72 154(5) 2_565 . . 2_565 ?
C70 C72 C77 C73 -95.6(15) 2_565 . . 2_565 ?
C70 C72 C77 C74 -47.0(6) 2_565 . . 2_565 ?
C71 C70 C74 C72 -10.8(11) . . . 2_565 ?
C71 C70 C74 C73 -13(2) . . . . ?
C71 C70 C74 C77 -61.2(12) . . . 2_565 ?
C71 C70 C74 C79 -174(2) . . . . ?
C71 C70 C74 Co2 57.7(10) . . . . ?
C71 C72 C73 C71 -143.7(19) . . . 2_565 ?
C71 C72 C73 C72 172(2) 2_565 . . 2_565 ?
C71 C72 C73 C72 28.6(18) . . . 2_565 ?
C71 C72 C73 C74 129(3) 2_565 . . . ?
C71 C72 C73 C74 -14(2) . . . . ?
C71 C72 C73 C77 55.5(12) . . . 2_565 ?
C71 C72 C73 C77 -160.9(19) 2_565 . . 2_565 ?
C71 C72 C73 C78 -32.5(17) 2_565 . . . ?
C71 C72 C73 C78 -176(2) . . . . ?
C71 C72 C73 Co2 80.3(16) 2_565 . . . ?
C71 C72 C73 Co2 -63.3(9) . . . . ?
C71 C72 C77 C70 -44.4(7) 2_565 . . 2_565 ?
C71 C72 C77 C70 117.5(14) . . . 2_565 ?
C71 C72 C77 C71 161.9(19) . . . 2_565 ?
C71 C72 C77 C72 110(5) 2_565 . . 2_565 ?
C71 C72 C77 C72 -88(5) . . . 2_565 ?
C71 C72 C77 C73 21.9(13) . . . 2_565 ?
C71 C72 C77 C73 -140(2) 2_565 . . 2_565 ?
C71 C72 C77 C74 -91.4(12) 2_565 . . 2_565 ?
C71 C72 C77 C74 70.5(12) . . . 2_565 ?
C71 C73 C74 C70 79(3) 2_565 . . . ?
C71 C73 C74 C72 76.5(18) 2_565 . . 2_565 ?
C71 C73 C74 C77 131(2) 2_565 . . 2_565 ?
C71 C73 C74 C79 -120(3) 2_565 . . . ?
C71 C73 C74 Co2 12.2(19) 2_565 . . . ?
C72 C70 C71 C72 -11.4(7) 2_565 . . . ?
C72 C70 C71 C73 -61(4) 2_565 . . 2_565 ?
C72 C70 C71 C77 46.8(9) 2_565 . . 2_565 ?
C72 C70 C71 C78 168(3) 2_565 . . 2_565 ?
C72 C70 C71 Co2 -71.1(8) 2_565 . . . ?
C72 C70 C74 C73 -1.9(16) 2_565 . . . ?
C72 C70 C74 C77 -50.4(7) 2_565 . . 2_565 ?
C72 C70 C74 C79 -163(3) 2_565 . . . ?
C72 C70 C74 Co2 68.5(6) 2_565 . . . ?
C72 C71 C72 C70 -129.6(15) 2_565 . . 2_565 ?
C72 C71 C72 C71 -67(2) 2_565 . . 2_565 ?
C72 C71 C72 C73 -26.5(17) 2_565 . . . ?
C72 C71 C72 C73 173(2) 2_565 . . 2_565 ?
C72 C71 C72 C74 -153.8(15) 2_565 . . 2_565 ?
C72 C71 C72 C77 141.6(15) 2_565 . . . ?
C72 C71 C72 C77 24.9(8) 2_565 . . 2_565 ?
C72 C71 C72 Co2 -93.2(11) 2_565 . . . ?
C72 C72 C73 C71 -172(2) 2_565 . . 2_565 ?
C72 C72 C73 C74 -43.0(16) 2_565 . . . ?
C72 C72 C73 C77 26.9(11) 2_565 . . 2_565 ?
C72 C72 C73 C78 155(3) 2_565 . . . ?
C72 C72 C73 Co2 -91.9(13) 2_565 . . . ?
C72 C72 C77 C70 -154(5) 2_565 . . 2_565 ?
C72 C72 C77 C71 -110(5) 2_565 . . 2_565 ?
C72 C72 C77 C73 110(6) 2_565 . . 2_565 ?
C72 C72 C77 C74 159(5) 2_565 . . 2_565 ?
C72 C73 C74 C70 17(3) . . . . ?
C72 C73 C74 C70 3(2) 2_565 . . . ?
C72 C73 C74 C72 13.9(9) . . . 2_565 ?
C72 C73 C74 C77 68.6(17) . . . 2_565 ?
C72 C73 C74 C77 54.7(15) 2_565 . . 2_565 ?
C72 C73 C74 C79 178(2) . . . . ?
C72 C73 C74 C79 164(3) 2_565 . . . ?
C72 C73 C74 Co2 -64.3(15) 2_565 . . . ?
C72 C73 C74 Co2 -50.4(17) . . . . ?
C72 C73 C78 C71 28.4(16) . . . 2_565 ?
C72 C73 C78 C71 43(3) 2_565 . . 2_565 ?
C73 C71 C72 C70 58(2) 2_565 . . 2_565 ?
C73 C71 C72 C71 121(3) 2_565 . . 2_565 ?
C73 C71 C72 C72 -173(2) 2_565 . . 2_565 ?
C73 C71 C72 C73 161(3) 2_565 . . . ?
C73 C71 C72 C74 33.7(19) 2_565 . . 2_565 ?
C73 C71 C72 C77 -148(2) 2_565 . . 2_565 ?
C73 C71 C72 C77 -31(2) 2_565 . . . ?
C73 C71 C72 Co2 94(2) 2_565 . . . ?
C73 C72 C73 C71 -117(3) 2_565 . . 2_565 ?
C73 C72 C73 C72 56(5) 2_565 . . 2_565 ?
C73 C72 C73 C74 13(5) 2_565 . . . ?
C73 C72 C73 C77 82(5) 2_565 . . 2_565 ?
C73 C72 C73 C78 -149(3) 2_565 . . . ?
C73 C72 C73 Co2 -36(4) 2_565 . . . ?
C73 C72 C77 C70 95.6(15) 2_565 . . 2_565 ?
C73 C72 C77 C70 -77(2) . . . 2_565 ?
C73 C72 C77 C71 140(2) 2_565 . . 2_565 ?
C73 C72 C77 C71 -32.2(19) . . . 2_565 ?
C73 C72 C77 C72 78(5) . . . 2_565 ?
C73 C72 C77 C72 -110(5) 2_565 . . 2_565 ?
C73 C72 C77 C73 -172(3) . . . 2_565 ?
C73 C72 C77 C74 48.6(10) 2_565 . . 2_565 ?
C73 C72 C77 C74 -124(2) . . . 2_565 ?
C74 C70 C71 C72 15.3(15) . . . 2_565 ?
C74 C70 C71 C72 3.9(14) . . . . ?
C74 C70 C71 C73 -45(4) . . . 2_565 ?
C74 C70 C71 C77 62.1(15) . . . 2_565 ?
C74 C70 C71 C78 -177(2) . . . 2_565 ?
C74 C70 C71 Co2 -55.8(14) . . . . ?
C74 C72 C73 C71 -47.0(18) 2_565 . . 2_565 ?
C74 C72 C73 C72 125.3(17) 2_565 . . 2_565 ?
C74 C72 C73 C74 82(3) 2_565 . . . ?
C74 C72 C73 C77 152.1(15) 2_565 . . 2_565 ?
C74 C72 C73 C78 -80(3) 2_565 . . . ?
C74 C72 C73 Co2 33.3(10) 2_565 . . . ?
C74 C72 C77 C70 47.0(6) 2_565 . . 2_565 ?
C74 C72 C77 C71 91.4(12) 2_565 . . 2_565 ?
C74 C72 C77 C72 -159(5) 2_565 . . 2_565 ?
C74 C72 C77 C73 -48.6(10) 2_565 . . 2_565 ?
C74 C73 C78 C71 -130(4) . . . 2_565 ?
C75 C70 C71 C72 -164(2) . . . 2_565 ?
C75 C70 C71 C72 -175.4(18) . . . . ?
C75 C70 C71 C73 135(4) . . . 2_565 ?
C75 C70 C71 C77 -117.2(19) . . . 2_565 ?
C75 C70 C71 C78 4(2) . . . 2_565 ?
C75 C70 C71 Co2 124.9(17) . . . . ?
C75 C70 C74 C72 168(2) . . . 2_565 ?
C75 C70 C74 C73 167(2) . . . . ?
C75 C70 C74 C77 118(2) . . . 2_565 ?
C75 C70 C74 C79 6(4) . . . . ?
C75 C70 C74 Co2 -123.0(19) . . . . ?
C77 C70 C71 C72 -46.8(9) 2_565 . . 2_565 ?
C77 C70 C71 C72 -58.2(9) 2_565 . . . ?
C77 C70 C71 C73 -107(4) 2_565 . . 2_565 ?
C77 C70 C71 C78 120.8(19) 2_565 . . 2_565 ?
C77 C70 C71 Co2 -117.9(9) 2_565 . . . ?
C77 C70 C74 C72 50.4(7) 2_565 . . 2_565 ?
C77 C70 C74 C73 48.6(18) 2_565 . . . ?
C77 C70 C74 C79 -112(3) 2_565 . . . ?
C77 C70 C74 Co2 119.0(9) 2_565 . . . ?
C77 C71 C72 C70 -154.5(13) 2_565 . . 2_565 ?
C77 C71 C72 C71 -92(2) 2_565 . . 2_565 ?
C77 C71 C72 C72 -24.9(8) 2_565 . . 2_565 ?
C77 C71 C72 C73 -51.4(15) 2_565 . . . ?
C77 C71 C72 C73 148(2) 2_565 . . 2_565 ?
C77 C71 C72 C74 -178.7(13) 2_565 . . 2_565 ?
C77 C71 C72 C77 116.7(17) 2_565 . . . ?
C77 C71 C72 Co2 -118.1(9) 2_565 . . . ?
C77 C72 C73 C71 48(3) . . . 2_565 ?
C77 C72 C73 C71 160.9(19) 2_565 . . 2_565 ?
C77 C72 C73 C72 -26.9(11) 2_565 . . 2_565 ?
C77 C72 C73 C72 -139.5(12) . . . 2_565 ?
C77 C72 C73 C74 177.5(19) . . . . ?
C77 C72 C73 C74 -69.9(18) 2_565 . . . ?
C77 C72 C73 C77 -113(2) . . . 2_565 ?
C77 C72 C73 C78 16(4) . . . . ?
C77 C72 C73 C78 128(3) 2_565 . . . ?
C77 C72 C73 Co2 128.6(19) . . . . ?
C77 C72 C73 Co2 -118.8(9) 2_565 . . . ?
C77 C72 C77 C70 -155.2(13) 2_565 . . 2_565 ?
C77 C72 C77 C71 -110.8(13) 2_565 . . 2_565 ?
C77 C72 C77 C72 -1(4) 2_565 . . 2_565 ?
C77 C72 C77 C73 109.2(17) 2_565 . . 2_565 ?
C77 C72 C77 C74 157.8(13) 2_565 . . 2_565 ?
C77 C73 C74 C70 -51.9(18) 2_565 . . . ?
C77 C73 C74 C72 -54.7(15) 2_565 . . 2_565 ?
C77 C73 C74 C79 109(3) 2_565 . . . ?
C77 C73 C74 Co2 -119.0(9) 2_565 . . . ?
C77 C73 C78 C71 128(2) 2_565 . . 2_565 ?
C78 C71 C72 C70 84(2) 2_565 . . 2_565 ?
C78 C71 C72 C71 147(2) 2_565 . . 2_565 ?
C78 C71 C72 C72 -146.1(17) 2_565 . . 2_565 ?
C78 C71 C72 C73 26.4(18) 2_565 . . 2_565 ?
C78 C71 C72 C73 -173(2) 2_565 . . . ?
C78 C71 C72 C74 60.1(16) 2_565 . . 2_565 ?
C78 C71 C72 C77 -121.3(16) 2_565 . . 2_565 ?
C78 C71 C72 C77 -4.5(19) 2_565 . . . ?
C78 C71 C72 Co2 120.7(17) 2_565 . . . ?
C78 C73 C74 C70 178(2) . . . . ?
C78 C73 C74 C72 176(4) . . . 2_565 ?
C78 C73 C74 C77 -130(3) . . . 2_565 ?
C78 C73 C74 C79 -20(4) . . . . ?
C78 C73 C74 Co2 111(2) . . . . ?
B1 B3 B9 B2 83.8(6) . . . . ?
B1 B3 B9 B4 43.4(9) . . . . ?
B1 B3 B9 B8 -25.3(8) . . . . ?
B1 B3 B9 B10 -49.4(6) . . . . ?
B1 B3 B10 B5 27.3(7) . . . . ?
B1 B3 B10 B8 96.2(8) . . . . ?
B1 B3 B10 B9 121.3(7) . . . . ?
B1 B3 C90 B2 -123.6(7) . . . . ?
B1 B3 C90 P2 122.4(8) . . . . ?
B1 B5 B6 B4 44.3(9) . . . . ?
B1 B5 B6 B7 -40.7(7) . . . . ?
B1 B5 B6 B8 93.7(8) . . . . ?
B1 B5 B6 C1 -11.6(9) . . . . ?
B1 B5 B7 B6 141.0(7) . . . . ?
B1 B5 B7 C1 109.7(7) . . . . ?
B1 B5 B8 B4 -61.9(8) . . . . ?
B1 B5 B8 B6 -112.2(7) . . . . ?
B1 B5 B8 B9 -0.5(8) . . . . ?
B1 B5 B8 B10 41.5(6) . . . . ?
B1 B5 B10 B3 -27.9(7) . . . . ?
B1 B5 B10 B8 -134.1(7) . . . . ?
B1 B5 B10 B9 -92.5(7) . . . . ?
B1 B7 C1 B4 36.7(9) . . . . ?
B1 B7 C1 B6 95.2(7) . . . . ?
B1 B7 C1 P1 -142.7(6) . . . . ?
B1 C90 P2 C15 22.9(8) . . . . ?
B1 C90 P2 C21 138.5(7) . . . . ?
B1 C90 P2 O2 -100.4(7) . . . . ?
B2 B3 B9 B4 -40.4(7) . . . . ?
B2 B3 B9 B8 -109.1(8) . . . . ?
B2 B3 B9 B10 -133.2(7) . . . . ?
B2 B3 B10 B1 -82.4(6) . . . . ?
B2 B3 B10 B5 -55.1(9) . . . . ?
B2 B3 B10 B8 13.8(10) . . . . ?
B2 B3 B10 B9 39.0(6) . . . . ?
B2 B3 C90 B1 123.6(7) . . . . ?
B2 B3 C90 P2 -113.9(8) . . . . ?
B2 B4 B6 B5 -36.7(8) . . . . ?
B2 B4 B6 B7 19.6(8) . . . . ?
B2 B4 B6 B8 -85.3(7) . . . . ?
B2 B4 B6 C1 60.4(7) . . . . ?
B2 B4 B8 B5 69.6(7) . . . . ?
B2 B4 B8 B6 119.6(7) . . . . ?
B2 B4 B8 B9 -32.1(6) . . . . ?
B2 B4 B8 B10 8.6(8) . . . . ?
B2 B4 B9 B3 38.8(7) . . . . ?
B2 B4 B9 B8 140.6(7) . . . . ?
B2 B4 B9 B10 101.1(7) . . . . ?
B2 B4 C1 B6 -132.4(6) . . . . ?
B2 B4 C1 B7 -72.8(7) . . . . ?
B2 B4 C1 P1 106.6(7) . . . . ?
B2 B9 B10 B1 7.5(8) . . . . ?
B2 B9 B10 B3 -42.6(6) . . . . ?
B2 B9 B10 B5 69.1(8) . . . . ?
B2 B9 B10 B8 111.2(7) . . . . ?
B2 C90 P2 C15 -159.8(6) . . . . ?
B2 C90 P2 C21 -44.2(7) . . . . ?
B2 C90 P2 O2 76.9(7) . . . . ?
B3 B1 B5 B6 -77.9(9) . . . . ?
B3 B1 B5 B7 -117.0(7) . . . . ?
B3 B1 B5 B8 -15.4(9) . . . . ?
B3 B1 B5 B10 24.8(6) . . . . ?
B3 B1 B10 B5 -151.7(7) . . . . ?
B3 B1 B10 B8 -110.7(8) . . . . ?
B3 B1 B10 B9 -49.1(6) . . . . ?
B3 B1 C90 B2 59.5(7) . . . . ?
B3 B1 C90 P2 -123.1(8) . . . . ?
B3 B2 B9 B4 141.5(7) . . . . ?
B3 B2 B9 B8 102.9(8) . . . . ?
B3 B2 B9 B10 40.2(6) . . . . ?
B3 B2 C90 B1 -58.5(7) . . . . ?
B3 B2 C90 P2 123.8(7) . . . . ?
B3 B9 B10 B1 50.1(6) . . . . ?
B3 B9 B10 B5 111.7(7) . . . . ?
B3 B9 B10 B8 153.8(7) . . . . ?
B3 C90 P2 C15 -70.3(8) . . . . ?
B3 C90 P2 C21 45.3(8) . . . . ?
B3 C90 P2 O2 166.4(7) . . . . ?
B4 B2 B3 B1 -67.4(7) . . . . ?
B4 B2 B3 B9 34.0(6) . . . . ?
B4 B2 B3 B10 -7.2(8) . . . . ?
B4 B2 B3 C90 -110.3(7) . . . . ?
B4 B2 B9 B3 -141.5(7) . . . . ?
B4 B2 B9 B8 -38.5(7) . . . . ?
B4 B2 B9 B10 -101.3(7) . . . . ?
B4 B2 C90 B1 36.5(9) . . . . ?
B4 B2 C90 B3 95.0(7) . . . . ?
B4 B2 C90 P2 -141.2(6) . . . . ?
B4 B6 B7 B1 -66.0(7) . . . . ?
B4 B6 B7 B5 -100.0(6) . . . . ?
B4 B6 B7 C1 42.7(5) . . . . ?
B4 B6 B8 B5 121.2(7) . . . . ?
B4 B6 B8 B9 27.1(7) . . . . ?
B4 B6 B8 B10 96.0(8) . . . . ?
B4 B6 C1 B7 -124.1(7) . . . . ?
B4 B6 C1 P1 123.5(8) . . . . ?
B4 B8 B9 B2 40.7(7) . . . . ?
B4 B8 B9 B3 110.5(7) . . . . ?
B4 B8 B9 B10 134.4(7) . . . . ?
B4 B8 B10 B1 51.8(9) . . . . ?
B4 B8 B10 B3 -14.9(10) . . . . ?
B4 B8 B10 B5 92.4(7) . . . . ?
B4 B8 B10 B9 -40.1(6) . . . . ?
B4 B9 B10 B1 -62.8(8) . . . . ?
B4 B9 B10 B3 -112.9(7) . . . . ?
B4 B9 B10 B5 -1.2(8) . . . . ?
B4 B9 B10 B8 40.9(6) . . . . ?
B4 C1 P1 C2 11.9(9) . . . . ?
B4 C1 P1 C8 129.4(7) . . . . ?
B4 C1 P1 O1 -111.4(7) . . . . ?
B5 B1 B3 B2 80.5(7) . . . . ?
B5 B1 B3 B9 24.2(8) . . . . ?
B5 B1 B3 B10 -25.2(6) . . . . ?
B5 B1 B3 C90 121.5(8) . . . . ?
B5 B1 B10 B3 151.7(7) . . . . ?
B5 B1 B10 B8 41.0(7) . . . . ?
B5 B1 B10 B9 102.6(7) . . . . ?
B5 B1 C90 B2 -29.5(11) . . . . ?
B5 B1 C90 B3 -88.9(9) . . . . ?
B5 B1 C90 P2 148.0(7) . . . . ?
B5 B6 B7 B1 34.1(6) . . . . ?
B5 B6 B7 C1 142.8(7) . . . . ?
B5 B6 B8 B4 -121.2(7) . . . . ?
B5 B6 B8 B9 -94.1(8) . . . . ?
B5 B6 B8 B10 -25.2(7) . . . . ?
B5 B6 C1 B4 93.2(7) . . . . ?
B5 B6 C1 B7 -30.9(6) . . . . ?
B5 B6 C1 P1 -143.3(7) . . . . ?
B5 B7 C1 B4 -25.1(9) . . . . ?
B5 B7 C1 B6 33.3(7) . . . . ?
B5 B7 C1 P1 155.4(6) . . . . ?
B5 B8 B9 B2 -52.6(9) . . . . ?
B5 B8 B9 B3 17.2(9) . . . . ?
B5 B8 B9 B4 -93.3(7) . . . . ?
B5 B8 B9 B10 41.1(6) . . . . ?
B5 B8 B10 B1 -40.6(6) . . . . ?
B5 B8 B10 B3 -107.3(8) . . . . ?
B5 B8 B10 B9 -132.5(7) . . . . ?
B6 B4 B8 B5 -50.0(6) . . . . ?
B6 B4 B8 B9 -151.7(7) . . . . ?
B6 B4 B8 B10 -111.0(8) . . . . ?
B6 B4 B9 B2 -115.7(7) . . . . ?
B6 B4 B9 B3 -76.9(9) . . . . ?
B6 B4 B9 B8 24.9(6) . . . . ?
B6 B4 B9 B10 -14.6(8) . . . . ?
B6 B4 C1 B7 59.6(7) . . . . ?
B6 B4 C1 P1 -121.0(8) . . . . ?
B6 B5 B7 B1 -141.0(7) . . . . ?
B6 B5 B7 C1 -31.3(6) . . . . ?
B6 B5 B8 B4 50.3(6) . . . . ?
B6 B5 B8 B9 111.6(7) . . . . ?
B6 B5 B8 B10 153.6(7) . . . . ?
B6 B5 B10 B1 109.9(7) . . . . ?
B6 B5 B10 B3 82.0(9) . . . . ?
B6 B5 B10 B8 -24.2(7) . . . . ?
B6 B5 B10 B9 17.4(9) . . . . ?
B6 B7 C1 B4 -58.5(7) . . . . ?
B6 B7 C1 P1 122.1(7) . . . . ?
B6 B8 B9 B2 12.9(11) . . . . ?
B6 B8 B9 B3 82.8(9) . . . . ?
B6 B8 B9 B4 -27.7(7) . . . . ?
B6 B8 B9 B10 106.7(8) . . . . ?
B6 B8 B10 B1 -14.8(10) . . . . ?
B6 B8 B10 B3 -81.5(10) . . . . ?
B6 B8 B10 B5 25.8(7) . . . . ?
B6 B8 B10 B9 -106.7(8) . . . . ?
B6 C1 P1 C2 -80.6(8) . . . . ?
B6 C1 P1 C8 36.9(8) . . . . ?
B6 C1 P1 O1 156.0(7) . . . . ?
B7 B1 B3 B2 20.2(9) . . . . ?
B7 B1 B3 B9 -36.1(9) . . . . ?
B7 B1 B3 B10 -85.4(8) . . . . ?
B7 B1 B3 C90 61.2(8) . . . . ?
B7 B1 B5 B6 39.1(7) . . . . ?
B7 B1 B5 B8 101.6(7) . . . . ?
B7 B1 B5 B10 141.8(7) . . . . ?
B7 B1 B10 B3 120.2(7) . . . . ?
B7 B1 B10 B5 -31.5(6) . . . . ?
B7 B1 B10 B8 9.6(9) . . . . ?
B7 B1 B10 B9 71.1(7) . . . . ?
B7 B1 C90 B2 -73.0(7) . . . . ?
B7 B1 C90 B3 -132.5(6) . . . . ?
B7 B1 C90 P2 104.5(7) . . . . ?
B7 B5 B6 B4 85.0(6) . . . . ?
B7 B5 B6 B8 134.4(7) . . . . ?
B7 B5 B6 C1 29.1(6) . . . . ?
B7 B5 B8 B4 8.6(8) . . . . ?
B7 B5 B8 B6 -41.7(6) . . . . ?
B7 B5 B8 B9 69.9(8) . . . . ?
B7 B5 B8 B10 111.9(8) . . . . ?
B7 B5 B10 B1 39.7(7) . . . . ?
B7 B5 B10 B3 11.8(11) . . . . ?
B7 B5 B10 B8 -94.4(8) . . . . ?
B7 B5 B10 B9 -52.8(9) . . . . ?
B7 B6 B8 B4 -83.3(6) . . . . ?
B7 B6 B8 B5 37.8(6) . . . . ?
B7 B6 B8 B9 -56.2(9) . . . . ?
B7 B6 B8 B10 12.7(10) . . . . ?
B7 B6 C1 B4 124.1(7) . . . . ?
B7 B6 C1 P1 -112.3(8) . . . . ?
B7 C1 P1 C2 -168.7(6) . . . . ?
B7 C1 P1 C8 -51.2(7) . . . . ?
B7 C1 P1 O1 67.9(7) . . . . ?
B8 B4 B6 B5 48.6(6) . . . . ?
B8 B4 B6 B7 104.9(6) . . . . ?
B8 B4 B6 C1 145.7(7) . . . . ?
B8 B4 B9 B2 -140.6(7) . . . . ?
B8 B4 B9 B3 -101.8(8) . . . . ?
B8 B4 B9 B10 -39.5(6) . . . . ?
B8 B4 C1 B6 -29.0(6) . . . . ?
B8 B4 C1 B7 30.6(9) . . . . ?
B8 B4 C1 P1 -150.0(6) . . . . ?
B8 B5 B6 B4 -49.4(6) . . . . ?
B8 B5 B6 B7 -134.4(7) . . . . ?
B8 B5 B6 C1 -105.3(7) . . . . ?
B8 B5 B7 B1 -101.6(7) . . . . ?
B8 B5 B7 B6 39.4(6) . . . . ?
B8 B5 B7 C1 8.1(9) . . . . ?
B8 B5 B10 B1 134.1(7) . . . . ?
B8 B5 B10 B3 106.2(8) . . . . ?
B8 B5 B10 B9 41.6(6) . . . . ?
B8 B6 B7 B1 -5.5(8) . . . . ?
B8 B6 B7 B5 -39.5(6) . . . . ?
B8 B6 B7 C1 103.3(7) . . . . ?
B8 B6 C1 B4 31.4(7) . . . . ?
B8 B6 C1 B7 -92.8(7) . . . . ?
B8 B6 C1 P1 154.9(6) . . . . ?
B8 B9 B10 B1 -103.7(7) . . . . ?
B8 B9 B10 B3 -153.8(7) . . . . ?
B8 B9 B10 B5 -42.1(6) . . . . ?
B9 B2 B3 B1 -101.4(7) . . . . ?
B9 B2 B3 B10 -41.1(7) . . . . ?
B9 B2 B3 C90 -144.3(8) . . . . ?
B9 B2 C90 B1 -26.4(9) . . . . ?
B9 B2 C90 B3 32.1(7) . . . . ?
B9 B2 C90 P2 155.9(6) . . . . ?
B9 B3 B10 B1 -121.3(6) . . . . ?
B9 B3 B10 B5 -94.0(8) . . . . ?
B9 B3 B10 B8 -25.1(7) . . . . ?
B9 B3 C90 B1 93.7(7) . . . . ?
B9 B3 C90 B2 -29.9(6) . . . . ?
B9 B3 C90 P2 -143.9(7) . . . . ?
B9 B4 B6 B5 23.2(8) . . . . ?
B9 B4 B6 B7 79.5(7) . . . . ?
B9 B4 B6 B8 -25.4(6) . . . . ?
B9 B4 B6 C1 120.3(7) . . . . ?
B9 B4 B8 B5 101.7(7) . . . . ?
B9 B4 B8 B6 151.7(7) . . . . ?
B9 B4 B8 B10 40.8(7) . . . . ?
B9 B4 C1 B6 -90.1(9) . . . . ?
B9 B4 C1 B7 -30.4(11) . . . . ?
B9 B4 C1 P1 149.0(7) . . . . ?
B9 B8 B10 B1 91.9(7) . . . . ?
B9 B8 B10 B3 25.3(7) . . . . ?
B9 B8 B10 B5 132.5(7) . . . . ?
B10 B1 B3 B2 105.7(6) . . . . ?
B10 B1 B3 B9 49.3(6) . . . . ?
B10 B1 B3 C90 146.7(7) . . . . ?
B10 B1 B5 B6 -102.7(8) . . . . ?
B10 B1 B5 B7 -141.8(7) . . . . ?
B10 B1 B5 B8 -40.2(6) . . . . ?
B10 B1 C90 B2 31.1(9) . . . . ?
B10 B1 C90 B3 -28.3(6) . . . . ?
B10 B1 C90 P2 -151.4(6) . . . . ?
B10 B3 B9 B2 133.2(7) . . . . ?
B10 B3 B9 B4 92.8(8) . . . . ?
B10 B3 B9 B8 24.1(7) . . . . ?
B10 B3 C90 B1 30.5(7) . . . . ?
B10 B3 C90 B2 -93.1(7) . . . . ?
B10 B3 C90 P2 153.0(6) . . . . ?
B10 B5 B6 B4 -24.8(8) . . . . ?
B10 B5 B6 B7 -109.9(8) . . . . ?
B10 B5 B6 B8 24.5(7) . . . . ?
B10 B5 B6 C1 -80.8(8) . . . . ?
B10 B5 B7 B1 -37.8(7) . . . . ?
B10 B5 B7 B6 103.2(8) . . . . ?
B10 B5 B7 C1 71.9(9) . . . . ?
B10 B5 B8 B4 -103.4(7) . . . . ?
B10 B5 B8 B6 -153.6(7) . . . . ?
B10 B5 B8 B9 -42.0(6) . . . . ?
B10 B8 B9 B2 -93.8(8) . . . . ?
B10 B8 B9 B3 -23.9(7) . . . . ?
B10 B8 B9 B4 -134.4(7) . . . . ?
B11 B12 B13 B12 -68.7(8) . . . 2_665 ?
B11 B12 B13 B13 -112.2(8) . . . 2_665 ?
B11 B12 B13 B14 -7.6(10) . . . . ?
B11 B12 B13 B15 41.2(7) . . . . ?
B11 B12 B15 B13 -134.8(8) . . . . ?
B11 B12 B15 B14 -86.0(7) . . . . ?
B11 B12 B15 C27 -29.2(7) . . . . ?
B11 B14 B15 B11 -20.4(9) 2_665 . . . ?
B11 B14 B15 B12 37.4(10) 2_665 . . . ?
B11 B14 B15 B13 85.3(9) 2_665 . . . ?
B11 B14 B15 C27 -61.1(8) 2_665 . . . ?
B11 B14 C27 B11 73.7(7) 2_665 . . . ?
B11 B14 C27 B15 131.4(8) 2_665 . . . ?
B11 B14 C27 P3 -106.7(8) 2_665 . . . ?
B11 B15 C27 B14 -125.3(7) . . . . ?
B11 B15 C27 P3 110.6(9) . . . . ?
B11 C27 P3 C28 47.2(8) . . . . ?
B11 C27 P3 C34 164.3(7) . . . . ?
B11 C27 P3 O3 -72.5(8) . . . . ?
B12 B11 B15 B13 39.6(8) . . . . ?
B12 B11 B15 B14 100.9(8) . . . . ?
B12 B11 B15 C27 143.3(9) . . . . ?
B12 B11 C27 B14 24.5(10) . . . . ?
B12 B11 C27 B15 -32.6(8) . . . . ?
B12 B11 C27 P3 -155.1(6) . . . . ?
B12 B13 B14 B11 -70.7(8) . . . 2_665 ?
B12 B13 B14 B11 32.3(7) 2_665 . . 2_665 ?
B12 B13 B14 B12 -103.1(8) . . . 2_665 ?
B12 B13 B14 B15 48.0(7) . . . . ?
B12 B13 B14 B15 151.1(9) 2_665 . . . ?
B12 B13 B14 C27 20.4(9) . . . . ?
B12 B13 B14 C27 123.5(8) 2_665 . . . ?
B12 B13 B15 B11 -38.5(7) . . . . ?
B12 B13 B15 B11 57.0(11) 2_665 . . . ?
B12 B13 B15 B12 95.5(10) 2_665 . . . ?
B12 B13 B15 B14 -122.9(8) . . . . ?
B12 B13 B15 B14 -27.4(8) 2_665 . . . ?
B12 B13 B15 C27 -93.8(9) . . . . ?
B12 B13 B15 C27 1.6(13) 2_665 . . . ?
B12 B14 B15 B11 -80.5(8) 2_665 . . . ?
B12 B14 B15 B12 -22.7(9) 2_665 . . . ?
B12 B14 B15 B13 25.2(8) 2_665 . . . ?
B12 B14 B15 C27 -121.1(8) 2_665 . . . ?
B12 B14 C27 B11 29.9(13) 2_665 . . . ?
B12 B14 C27 B15 87.6(10) 2_665 . . . ?
B12 B14 C27 P3 -150.5(8) 2_665 . . . ?
B12 B15 C27 B11 31.3(8) . . . . ?
B12 B15 C27 B14 -94.0(8) . . . . ?
B12 B15 C27 P3 141.8(8) . . . . ?
B13 B12 B13 B12 43.5(9) 2_665 . . 2_665 ?
B13 B12 B13 B14 104.7(8) 2_665 . . . ?
B13 B12 B13 B15 153.5(7) 2_665 . . . ?
B13 B12 B15 B11 134.8(8) . . . . ?
B13 B12 B15 B11 110.9(9) 2_665 . . . ?
B13 B12 B15 B13 -23.9(7) 2_665 . . . ?
B13 B12 B15 B14 24.9(10) 2_665 . . . ?
B13 B12 B15 B14 48.8(7) . . . . ?
B13 B12 B15 C27 105.6(8) . . . . ?
B13 B12 B15 C27 81.7(10) 2_665 . . . ?
B13 B13 B14 B11 -9.0(11) 2_665 . . 2_665 ?
B13 B13 B14 B12 -41.3(9) 2_665 . . 2_665 ?
B13 B13 B14 B15 109.8(11) 2_665 . . . ?
B13 B13 B14 C27 82.2(11) 2_665 . . . ?
B13 B13 B15 B11 -13.1(12) 2_665 . . . ?
B13 B13 B15 B12 25.4(9) 2_665 . . . ?
B13 B13 B15 B14 -97.5(9) 2_665 . . . ?
B13 B13 B15 C27 -68.5(12) 2_665 . . . ?
B13 B14 B15 B11 -105.7(8) . . . . ?
B13 B14 B15 B12 -47.9(7) . . . . ?
B13 B14 B15 C27 -146.4(9) . . . . ?
B13 B14 C27 B11 -29.3(10) . . . . ?
B13 B14 C27 B15 28.4(7) . . . . ?
B13 B14 C27 P3 150.4(7) . . . . ?
B13 B15 C27 B11 94.0(9) . . . . ?
B13 B15 C27 B14 -31.2(8) . . . . ?
B13 B15 C27 P3 -155.4(7) . . . . ?
B14 B11 B12 B13 39.8(9) 2_665 . . 2_665 ?
B14 B11 B12 B13 101.5(9) 2_665 . . . ?
B14 B11 B12 B15 141.2(8) 2_665 . . . ?
B14 B11 B15 B12 -33.5(7) 2_665 . . . ?
B14 B11 B15 B13 6.1(9) 2_665 . . . ?
B14 B11 B15 B14 67.4(7) 2_665 . . . ?
B14 B11 B15 C27 109.8(8) 2_665 . . . ?
B14 B11 C27 B14 -36.8(11) 2_665 . . . ?
B14 B11 C27 B15 -93.9(9) 2_665 . . . ?
B14 B11 C27 P3 143.6(7) 2_665 . . . ?
B14 B12 B13 B12 2.1(11) 2_665 . . 2_665 ?
B14 B12 B13 B13 -41.5(6) 2_665 . . 2_665 ?
B14 B12 B13 B14 63.2(10) 2_665 . . . ?
B14 B12 B13 B15 112.0(8) 2_665 . . . ?
B14 B12 B15 B11 40.5(8) 2_665 . . . ?
B14 B12 B15 B13 -94.3(10) 2_665 . . . ?
B14 B12 B15 B14 -45.5(10) 2_665 . . . ?
B14 B12 B15 C27 11.3(12) 2_665 . . . ?
B14 B13 B15 B11 84.4(7) . . . . ?
B14 B13 B15 B12 122.9(8) . . . . ?
B14 B13 B15 C27 29.0(8) . . . . ?
B14 B15 C27 B11 125.3(7) . . . . ?
B14 B15 C27 P3 -124.2(9) . . . . ?
B14 C27 P3 C28 -132.4(8) . . . . ?
B14 C27 P3 C34 -15.3(9) . . . . ?
B14 C27 P3 O3 107.9(8) . . . . ?
B15 B11 B12 B13 -39.7(7) . . . . ?
B15 B11 B12 B13 -101.4(10) . . . 2_665 ?
B15 B11 B12 B14 -141.2(8) . . . 2_665 ?
B15 B11 C27 B14 57.1(8) . . . . ?
B15 B11 C27 P3 -122.5(8) . . . . ?
B15 B12 B13 B12 -109.9(8) . . . 2_665 ?
B15 B12 B13 B13 -153.5(7) . . . 2_665 ?
B15 B12 B13 B14 -48.8(7) . . . . ?
B15 B13 B14 B11 -118.8(8) . . . 2_665 ?
B15 B13 B14 B12 -151.1(9) . . . 2_665 ?
B15 B13 B14 C27 -27.6(7) . . . . ?
B15 B14 C27 B11 -57.7(8) . . . . ?
B15 B14 C27 P3 121.9(9) . . . . ?
B15 C27 P3 C28 -39.0(10) . . . . ?
B15 C27 P3 C34 78.1(9) . . . . ?
B15 C27 P3 O3 -158.8(8) . . . . ?
C1 B4 B6 B5 -97.1(7) . . . . ?
C1 B4 B6 B7 -40.8(5) . . . . ?
C1 B4 B6 B8 -145.7(7) . . . . ?
C1 B4 B8 B5 -21.8(8) . . . . ?
C1 B4 B8 B6 28.2(6) . . . . ?
C1 B4 B8 B9 -123.6(7) . . . . ?
C1 B4 B8 B10 -82.8(8) . . . . ?
C1 B4 B9 B2 -55.7(8) . . . . ?
C1 B4 B9 B3 -16.9(12) . . . . ?
C1 B4 B9 B8 84.8(9) . . . . ?
C1 B4 B9 B10 45.3(10) . . . . ?
C1 B6 B7 B1 -108.7(7) . . . . ?
C1 B6 B7 B5 -142.8(7) . . . . ?
C1 B6 B8 B4 -29.1(6) . . . . ?
C1 B6 B8 B5 92.0(7) . . . . ?
C1 B6 B8 B9 -2.0(10) . . . . ?
C1 B6 B8 B10 66.9(10) . . . . ?
C2 C3 C4 C5 0.5(15) . . . . ?
C3 C2 C7 C6 -1.3(14) . . . . ?
C3 C2 P1 C1 -131.9(7) . . . . ?
C3 C2 P1 C8 110.1(7) . . . . ?
C3 C2 P1 O1 -5.7(8) . . . . ?
C3 C4 C5 C6 0.0(17) . . . . ?
C4 C5 C6 C7 -1.1(17) . . . . ?
C5 C6 C7 C2 1.8(16) . . . . ?
C7 C2 C3 C4 0.1(13) . . . . ?
C7 C2 P1 C1 46.1(9) . . . . ?
C7 C2 P1 C8 -71.9(8) . . . . ?
C7 C2 P1 O1 172.4(7) . . . . ?
C8 C9 C10 C11 0.4(14) . . . . ?
C9 C8 C13 C12 -2.4(12) . . . . ?
C9 C8 P1 C1 -77.5(8) . . . . ?
C9 C8 P1 C2 42.8(8) . . . . ?
C9 C8 P1 O1 159.4(7) . . . . ?
C9 C10 C11 C12 -1.6(15) . . . . ?
C10 C11 C12 C13 0.7(15) . . . . ?
C11 C12 C13 C8 1.3(14) . . . . ?
C13 C8 C9 C10 1.6(12) . . . . ?
C13 C8 P1 C1 98.8(7) . . . . ?
C13 C8 P1 C2 -141.0(7) . . . . ?
C13 C8 P1 O1 -24.4(7) . . . . ?
C90 B1 B3 B2 -41.0(5) . . . . ?
C90 B1 B3 B9 -97.3(7) . . . . ?
C90 B1 B3 B10 -146.7(7) . . . . ?
C90 B1 B5 B6 -18.0(12) . . . . ?
C90 B1 B5 B7 -57.1(9) . . . . ?
C90 B1 B5 B8 44.5(11) . . . . ?
C90 B1 B5 B10 84.7(9) . . . . ?
C90 B1 B10 B3 27.7(6) . . . . ?
C90 B1 B10 B5 -124.0(7) . . . . ?
C90 B1 B10 B8 -83.0(8) . . . . ?
C90 B1 B10 B9 -21.4(8) . . . . ?
C90 B2 B3 B1 42.9(6) . . . . ?
C90 B2 B3 B9 144.3(8) . . . . ?
C90 B2 B3 B10 103.2(7) . . . . ?
C90 B2 B9 B3 -30.5(6) . . . . ?
C90 B2 B9 B4 111.0(7) . . . . ?
C90 B2 B9 B8 72.4(9) . . . . ?
C90 B2 B9 B10 9.7(9) . . . . ?
C90 B3 B9 B2 28.0(6) . . . . ?
C90 B3 B9 B4 -12.4(9) . . . . ?
C90 B3 B9 B8 -81.1(8) . . . . ?
C90 B3 B9 B10 -105.2(7) . . . . ?
C90 B3 B10 B1 -28.3(6) . . . . ?
C90 B3 B10 B5 -1.0(10) . . . . ?
C90 B3 B10 B8 67.9(9) . . . . ?
C90 B3 B10 B9 93.0(7) . . . . ?
C15 C16 C17 C18 -0.9(13) . . . . ?
C16 C15 C20 C19 0.0(12) . . . . ?
C16 C15 P2 C90 36.5(8) . . . . ?
C16 C15 P2 C21 -81.3(7) . . . . ?
C16 C15 P2 O2 163.0(6) . . . . ?
C16 C17 C18 C19 0.3(14) . . . . ?
C17 C18 C19 C20 0.4(14) . . . . ?
C18 C19 C20 C15 -0.6(13) . . . . ?
C20 C15 C16 C17 0.7(12) . . . . ?
C20 C15 P2 C90 -144.8(6) . . . . ?
C20 C15 P2 C21 97.4(7) . . . . ?
C20 C15 P2 O2 -18.3(7) . . . . ?
C21 C22 C23 C24 -0.5(13) . . . . ?
C22 C21 C26 C25 -0.6(12) . . . . ?
C22 C21 P2 C90 -72.3(8) . . . . ?
C22 C21 P2 C15 47.3(8) . . . . ?
C22 C21 P2 O2 163.0(6) . . . . ?
C22 C23 C24 C25 -0.5(14) . . . . ?
C23 C24 C25 C26 0.9(14) . . . . ?
C24 C25 C26 C21 -0.4(14) . . . . ?
C26 C21 C22 C23 1.0(12) . . . . ?
C26 C21 P2 C90 107.3(7) . . . . ?
C26 C21 P2 C15 -133.1(7) . . . . ?
C26 C21 P2 O2 -17.4(7) . . . . ?
C27 B11 B12 B13 -8.6(10) . . . . ?
C27 B11 B12 B13 -70.3(11) . . . 2_665 ?
C27 B11 B12 B14 -110.0(8) . . . 2_665 ?
C27 B11 B12 B15 31.1(7) . . . . ?
C27 B11 B15 B12 -143.3(9) . . . . ?
C27 B11 B15 B13 -103.7(8) . . . . ?
C27 B11 B15 B14 -42.4(6) . . . . ?
C27 B14 B15 B11 40.7(6) . . . . ?
C27 B14 B15 B12 98.4(8) . . . . ?
C27 B14 B15 B13 146.4(9) . . . . ?
C28 C29 C30 C31 0.7(16) . . . . ?
C29 C28 C33 C32 -0.2(14) . . . . ?
C29 C28 P3 C27 80.5(9) . . . . ?
C29 C28 P3 C34 -39.1(9) . . . . ?
C29 C28 P3 O3 -155.4(8) . . . . ?
C29 C30 C31 C32 -1.2(15) . . . . ?
C30 C31 C32 C33 1.0(15) . . . . ?
C31 C32 C33 C28 -0.3(15) . . . . ?
C33 C28 C29 C30 0.0(14) . . . . ?
C33 C28 P3 C27 -96.0(8) . . . . ?
C33 C28 P3 C34 144.4(7) . . . . ?
C33 C28 P3 O3 28.1(8) . . . . ?
C34 C35 C36 C37 -0.4(15) . . . . ?
C35 C34 C39 C38 2.3(14) . . . . ?
C35 C34 P3 C27 132.1(7) . . . . ?
C35 C34 P3 C28 -109.6(7) . . . . ?
C35 C34 P3 O3 5.7(8) . . . . ?
C35 C36 C37 C38 2.3(16) . . . . ?
C36 C37 C38 C39 -1.9(17) . . . . ?
C37 C38 C39 C34 -0.4(16) . . . . ?
C39 C34 C35 C36 -1.8(14) . . . . ?
C39 C34 P3 C27 -46.2(9) . . . . ?
C39 C34 P3 C28 72.2(9) . . . . ?
C39 C34 P3 O3 -172.6(7) . . . . ?
C40 C41 C42 C43 0.3(15) . . . . ?
C40 C41 C42 C47 177.0(14) . . . . ?
C40 C41 C42 Co1 57.5(9) . . . . ?
C41 C40 C44 C43 -4.5(17) . . . . ?
C41 C40 C44 C49 178.1(14) . . . . ?
C41 C40 C44 Co1 -62.0(9) . . . . ?
C41 C42 C43 C44 -3.0(17) . . . . ?
C41 C42 C43 C48 177.9(13) . . . . ?
C41 C42 C43 Co1 57.6(10) . . . . ?
C42 C43 C44 C40 4.6(19) . . . . ?
C42 C43 C44 C49 -178.0(14) . . . . ?
C42 C43 C44 Co1 61.1(11) . . . . ?
C44 C40 C41 C42 2.6(15) . . . . ?
C44 C40 C41 C46 -176.2(14) . . . . ?
C44 C40 C41 Co1 61.8(9) . . . . ?
C45 C40 C41 C42 176.3(14) . . . . ?
C45 C40 C41 C46 -2(2) . . . . ?
C45 C40 C41 Co1 -124.4(16) . . . . ?
C45 C40 C44 C43 -178.2(15) . . . . ?
C45 C40 C44 C49 4(2) . . . . ?
C45 C40 C44 Co1 124.3(15) . . . . ?
C46 C41 C42 C43 179.1(13) . . . . ?
C46 C41 C42 C47 -4(2) . . . . ?
C46 C41 C42 Co1 -123.7(14) . . . . ?
C47 C42 C43 C44 -179.9(15) . . . . ?
C47 C42 C43 C48 1(2) . . . . ?
C47 C42 C43 Co1 -119.2(15) . . . . ?
C48 C43 C44 C40 -176.4(15) . . . . ?
C48 C43 C44 C49 1(3) . . . . ?
C48 C43 C44 Co1 -120.0(18) . . . . ?
C50 C51 C52 C53 -0.1(14) . . . . ?
C50 C51 C52 C57 178.4(12) . . . . ?
C50 C51 C52 Co1 -59.0(8) . . . . ?
C51 C50 C54 C53 1.1(12) . . . . ?
C51 C50 C54 C59 -177.8(11) . . . . ?
C51 C50 C54 Co1 59.1(7) . . . . ?
C51 C52 C53 C54 0.8(15) . . . . ?
C51 C52 C53 C58 174.9(14) . . . . ?
C51 C52 C53 Co1 -59.8(9) . . . . ?
C52 C53 C54 C50 -1.2(14) . . . . ?
C52 C53 C54 C59 177.7(12) . . . . ?
C52 C53 C54 Co1 -59.7(9) . . . . ?
C54 C50 C51 C52 -0.6(12) . . . . ?
C54 C50 C51 C56 178.3(12) . . . . ?
C54 C50 C51 Co1 -59.4(7) . . . . ?
C55 C50 C51 C52 -176.2(11) . . . . ?
C55 C50 C51 C56 2.7(19) . . . . ?
C55 C50 C51 Co1 125.0(11) . . . . ?
C55 C50 C54 C53 176.7(11) . . . . ?
C55 C50 C54 C59 -2.2(17) . . . . ?
C55 C50 C54 Co1 -125.3(10) . . . . ?
C56 C51 C52 C53 -179.0(13) . . . . ?
C56 C51 C52 C57 0(2) . . . . ?
C56 C51 C52 Co1 122.2(14) . . . . ?
C57 C52 C53 C54 -177.6(13) . . . . ?
C57 C52 C53 C58 -3(2) . . . . ?
C57 C52 C53 Co1 121.8(15) . . . . ?
C58 C53 C54 C50 -175.2(15) . . . . ?
C58 C53 C54 C59 4(2) . . . . ?
C58 C53 C54 Co1 126.2(17) . . . . ?
Co1 C40 C41 C42 -59.2(9) . . . . ?
Co1 C40 C41 C46 122.0(14) . . . . ?
Co1 C40 C44 C43 57.5(11) . . . . ?
Co1 C40 C44 C49 -120.0(16) . . . . ?
Co1 C41 C42 C43 -57.2(9) . . . . ?
Co1 C41 C42 C47 119.5(15) . . . . ?
Co1 C42 C43 C44 -60.7(11) . . . . ?
Co1 C42 C43 C48 120.3(16) . . . . ?
Co1 C43 C44 C40 -56.5(11) . . . . ?
Co1 C43 C44 C49 120.9(17) . . . . ?
Co1 C50 C51 C52 58.8(8) . . . . ?
Co1 C50 C51 C56 -122.3(13) . . . . ?
Co1 C50 C54 C53 -58.0(8) . . . . ?
Co1 C50 C54 C59 123.1(11) . . . . ?
Co1 C51 C52 C53 58.8(9) . . . . ?
Co1 C51 C52 C57 -122.7(14) . . . . ?
Co1 C52 C53 C54 60.6(9) . . . . ?
Co1 C52 C53 C58 -125.3(16) . . . . ?
Co1 C53 C54 C50 58.5(8) . . . . ?
Co1 C53 C54 C59 -122.6(12) . . . . ?
Co2 C60 C61 C61 60.8(17) . . . 2_565 ?
Co2 C60 C61 C62 -58.5(7) . . . . ?
Co2 C60 C61 C66 138.8(15) . . . . ?
Co2 C60 C64 C63 59(2) . . . . ?
Co2 C60 C64 C69 -128(3) . . . . ?
Co2 C60 C65 C67 -30.6(19) . . . 2_565 ?
Co2 C61 C62 C63 -62.0(16) . . . . ?
Co2 C61 C62 C67 116.8(18) . . . . ?
Co2 C61 C66 C61 0.004(6) . . . 2_565 ?
Co2 C62 C63 C64 -60(2) . . . . ?
Co2 C62 C63 C68 124(3) . . . . ?
Co2 C62 C67 C65 40(2) . . . 2_565 ?
Co2 C63 C64 C60 -61.4(19) . . . . ?
Co2 C63 C64 C69 126(3) . . . . ?
Co2 C70 C71 C72 59.7(7) . . . . ?
Co2 C70 C71 C72 71.1(8) . . . 2_565 ?
Co2 C70 C71 C73 10(4) . . . 2_565 ?
Co2 C70 C71 C77 117.9(9) . . . 2_565 ?
Co2 C70 C71 C78 -121(2) . . . 2_565 ?
Co2 C70 C74 C72 -68.5(6) . . . 2_565 ?
Co2 C70 C74 C73 -70.4(17) . . . . ?
Co2 C70 C74 C77 -119.0(9) . . . 2_565 ?
Co2 C70 C74 C79 129(3) . . . . ?
Co2 C71 C72 C70 -36.4(7) . . . 2_565 ?
Co2 C71 C72 C71 26.5(17) . . . 2_565 ?
Co2 C71 C72 C72 93.2(11) . . . 2_565 ?
Co2 C71 C72 C73 66.7(14) . . . . ?
Co2 C71 C72 C73 -94(2) . . . 2_565 ?
Co2 C71 C72 C74 -60.6(10) . . . 2_565 ?
Co2 C71 C72 C77 118.1(9) . . . 2_565 ?
Co2 C71 C72 C77 -125.2(15) . . . . ?
Co2 C72 C73 C71 -80.3(16) . . . 2_565 ?
Co2 C72 C73 C72 91.9(13) . . . 2_565 ?
Co2 C72 C73 C74 48.9(18) . . . . ?
Co2 C72 C73 C77 118.8(9) . . . 2_565 ?
Co2 C72 C73 C78 -113(2) . . . . ?
Co2 C72 C77 C70 24.6(6) . . . 2_565 ?
Co2 C72 C77 C71 68.9(10) . . . 2_565 ?
Co2 C72 C77 C72 179(100) . . . 2_565 ?
Co2 C72 C77 C73 -71.0(12) . . . 2_565 ?
Co2 C72 C77 C74 -22.4(5) . . . 2_565 ?
Co2 C73 C74 C70 67.1(15) . . . . ?
Co2 C73 C74 C72 64.3(15) . . . 2_565 ?
Co2 C73 C74 C77 119.0(9) . . . 2_565 ?
Co2 C73 C74 C79 -132(3) . . . . ?
Co2 C73 C78 C71 -52.6(18) . . . 2_565 ?
Nd01 O1 P1 C1 -13.3(17) . . . . ?
Nd01 O1 P1 C2 -138.2(15) . . . . ?
Nd01 O1 P1 C8 106.2(15) . . . . ?
Nd01 O2 P2 C90 -27.7(17) . . . . ?
Nd01 O2 P2 C15 -152.7(15) . . . . ?
Nd01 O2 P2 C21 93.7(15) . . . . ?
Nd01 O3 P3 C27 5.6(18) . . . . ?
Nd01 O3 P3 C28 -115.1(16) . . . . ?
Nd01 O3 P3 C34 129.9(16) . . . . ?
P1 C2 C3 C4 178.2(7) . . . . ?
P1 C2 C7 C6 -179.3(8) . . . . ?
P1 C8 C9 C10 177.8(7) . . . . ?
P1 C8 C13 C12 -178.8(7) . . . . ?
P2 C15 C16 C17 179.4(7) . . . . ?
P2 C15 C20 C19 -178.7(7) . . . . ?
P2 C21 C22 C23 -179.4(6) . . . . ?
P2 C21 C26 C25 179.8(7) . . . . ?
P3 C28 C29 C30 -176.5(8) . . . . ?
P3 C28 C33 C32 176.4(8) . . . . ?
P3 C34 C35 C36 179.8(7) . . . . ?
P3 C34 C39 C38 -179.5(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mk-1178
_database_code_depnum_ccdc_archive 'CCDC 2071518'
loop_
_audit_author_name
_audit_author_address
'Guang Wu'
;UC Santa Barbara
United States of America
;
_audit_update_record             
;
2021-11-24 deposited with the CCDC.	2022-02-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H67 B10 N O2 P2'
_chemical_formula_weight         788.00

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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                   11.082(3)
_cell_length_b                   11.112(3)
_cell_length_c                   37.623(10)
_cell_angle_alpha                93.075(4)
_cell_angle_beta                 96.139(4)
_cell_angle_gamma                101.822(4)
_cell_volume                     4495(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9867
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      25.0

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_F_000             1688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.133
_shelx_estimated_absorpt_T_min   0.979
_shelx_estimated_absorpt_T_max   0.987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5662
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'I\mS microfocus tube'
_diffrn_measurement_device_type  
;
Bruker D8 goniometer with Photon100 area detector  
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            56154
_diffrn_reflns_av_unetI/netI     0.1039
_diffrn_reflns_av_R_equivalents  0.0971
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         2.184
_diffrn_reflns_theta_max         25.137
_diffrn_reflns_theta_full        25.137
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             15821
_reflns_number_gt                10572
_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_cell_refinement       'SAINT 8.37A (Bruker-AXS, 2015)'
_computing_data_reduction        'SAINT 8.37A (Bruker-AXS, 2015)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2015)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2015)'

_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. All non-H atoms were located 
 in difference-Fourier maps, and then refined anisotropically. 

 The crystal is pseudo-merohedrol twin, but we have well refined the 
 structure by applying the twin law that was found by using 
 Platon/twinRotMat.
;

# start Validation Reply Form
_vrf_PLAT340_mk-1178             
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01328 Ang.  
RESPONSE: This is a weakly diffracted crystal for a twinning light atom 
 (Z(mas) < 20) structure in a P-1 space group with a long axis up to 
 37.6 Angstrom.
;
_vrf_PLAT910_mk-1178             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note  
RESPONSE: Missing refflections are blocked by the beamstop. The hardware 
 limit for the D8 venture with Photon100 area detector.
;
# end Validation Reply Form

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1031P)²+27.8485P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0078(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         15821
_refine_ls_number_parameters     1045
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1579
_refine_ls_R_factor_gt           0.1081
_refine_ls_wR_factor_ref         0.2988
_refine_ls_wR_factor_gt          0.2651
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_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
P1 P 0.34783(19) 1.0604(2) 0.85700(7) 0.0370(6) Uani 1 1 d . . . . .
P2 P -0.08206(18) 0.67836(19) 0.83546(6) 0.0318(5) Uani 1 1 d . . . . .
O1 O 0.4654(5) 1.1031(6) 0.88194(18) 0.0462(16) Uani 1 1 d . . . . .
O2 O -0.0652(5) 0.5567(5) 0.82188(16) 0.0369(13) Uani 1 1 d . . . . .
C1 C 0.2345(7) 0.9363(7) 0.8711(2) 0.0338(19) Uani 1 1 d D . . . .
H1 H 0.175(7) 0.899(8) 0.8496(15) 0.05(3) Uiso 1 1 d D . . . .
C2 C 0.0265(6) 0.7441(7) 0.8748(2) 0.0288(17) Uani 1 1 d . . . . .
C3 C 0.3778(7) 1.0086(7) 0.8126(2) 0.0343(19) Uani 1 1 d . . . . .
C4 C 0.3941(8) 0.8890(9) 0.8071(3) 0.048(2) Uani 1 1 d . . . . .
H4 H 0.3844 0.8344 0.8256 0.058 Uiso 1 1 calc R U . . .
C5 C 0.4253(9) 0.8486(9) 0.7735(3) 0.048(2) Uani 1 1 d . . . . .
H5 H 0.4365 0.7667 0.7696 0.058 Uiso 1 1 calc R U . . .
C6 C 0.4394(9) 0.9287(9) 0.7467(3) 0.051(2) Uani 1 1 d . . . . .
H6 H 0.4594 0.9008 0.7242 0.061 Uiso 1 1 calc R U . . .
C7 C 0.4249(10) 1.0478(10) 0.7520(3) 0.056(3) Uani 1 1 d . . . . .
H7 H 0.4340 1.1019 0.7333 0.067 Uiso 1 1 calc R U . . .
C8 C 0.3967(9) 1.0888(9) 0.7853(3) 0.051(2) Uani 1 1 d . . . . .
H8 H 0.3901 1.1722 0.7894 0.062 Uiso 1 1 calc R U . . .
C9 C 0.2640(7) 1.1814(8) 0.8489(3) 0.040(2) Uani 1 1 d . . . . .
C10 C 0.1560(8) 1.1619(8) 0.8242(3) 0.046(2) Uani 1 1 d . . . . .
H10 H 0.1255 1.0834 0.8115 0.055 Uiso 1 1 calc R U . . .
C11 C 0.0943(8) 1.2554(8) 0.8183(3) 0.045(2) Uani 1 1 d . . . . .
H11 H 0.0241 1.2426 0.8006 0.054 Uiso 1 1 calc R U . . .
C12 C 0.1341(8) 1.3696(8) 0.8381(3) 0.045(2) Uani 1 1 d . . . . .
H12 H 0.0898 1.4335 0.8346 0.054 Uiso 1 1 calc R U . . .
C13 C 0.2388(8) 1.3880(8) 0.8630(3) 0.045(2) Uani 1 1 d . . . . .
H13 H 0.2662 1.4647 0.8768 0.053 Uiso 1 1 calc R U . . .
C14 C 0.3046(8) 1.2945(7) 0.8678(3) 0.042(2) Uani 1 1 d . . . . .
H14 H 0.3780 1.3090 0.8844 0.050 Uiso 1 1 calc R U . . .
C15 C -0.0543(7) 0.7890(7) 0.8023(2) 0.0335(19) Uani 1 1 d . . . . .
C16 C -0.1303(8) 0.8684(7) 0.7918(2) 0.0360(19) Uani 1 1 d . . . . .
H16 H -0.2036 0.8681 0.8028 0.043 Uiso 1 1 calc R U . . .
C17 C -0.1006(9) 0.9488(8) 0.7653(3) 0.044(2) Uani 1 1 d . . . . .
H17 H -0.1556 1.0007 0.7580 0.053 Uiso 1 1 calc R U . . .
C18 C 0.0053(9) 0.9544(8) 0.7498(2) 0.043(2) Uani 1 1 d . . . . .
H18 H 0.0245 1.0097 0.7318 0.052 Uiso 1 1 calc R U . . .
C19 C 0.0856(9) 0.8780(9) 0.7605(2) 0.044(2) Uani 1 1 d . . . . .
H19 H 0.1609 0.8830 0.7502 0.053 Uiso 1 1 calc R U . . .
C20 C 0.0569(8) 0.7945(8) 0.7862(2) 0.040(2) Uani 1 1 d . . . . .
H20 H 0.1112 0.7414 0.7928 0.048 Uiso 1 1 calc R U . . .
C21 C -0.2398(7) 0.6733(7) 0.8457(2) 0.0321(18) Uani 1 1 d . . . . .
C22 C -0.3231(8) 0.5608(8) 0.8370(2) 0.038(2) Uani 1 1 d . . . . .
H22 H -0.2962 0.4916 0.8272 0.046 Uiso 1 1 calc R U . . .
C23 C -0.4480(7) 0.5516(8) 0.8428(3) 0.041(2) Uani 1 1 d . . . . .
H23 H -0.5061 0.4754 0.8372 0.049 Uiso 1 1 calc R U . . .
C24 C -0.4856(8) 0.6520(9) 0.8566(3) 0.048(2) Uani 1 1 d . . . . .
H24 H -0.5705 0.6458 0.8598 0.058 Uiso 1 1 calc R U . . .
C25 C -0.4022(7) 0.7624(8) 0.8661(3) 0.042(2) Uani 1 1 d . . . . .
H25 H -0.4289 0.8310 0.8764 0.050 Uiso 1 1 calc R U . . .
C26 C -0.2806(7) 0.7720(8) 0.8605(3) 0.039(2) Uani 1 1 d . . . . .
H26 H -0.2232 0.8480 0.8670 0.047 Uiso 1 1 calc R U . . .
B1 B 0.2001(8) 0.9622(8) 0.9114(3) 0.037(2) Uani 1 1 d . . . . .
H1A H 0.2278 1.0651 0.9162 0.044 Uiso 1 1 calc R U . . .
B2 B 0.2899(8) 0.8477(9) 0.8988(3) 0.040(2) Uani 1 1 d . . . . .
H2 H 0.3889 0.8592 0.8934 0.048 Uiso 1 1 calc R U . . .
B3 B 0.1690(8) 0.7213(8) 0.8741(3) 0.035(2) Uani 1 1 d . . . . .
H3 H 0.1906 0.6912 0.8476 0.042 Uiso 1 1 d R U . . .
B4 B 0.0665(9) 0.6434(8) 0.9042(3) 0.036(2) Uani 1 1 d . . . . .
H4A H 0.0275 0.5417 0.9025 0.043 Uiso 1 1 calc R U . . .
B5 B -0.0218(9) 0.7513(9) 0.9162(3) 0.039(2) Uani 1 1 d . . . . .
H5A H -0.1195 0.7223 0.9225 0.047 Uiso 1 1 calc R U . . .
B6 B 0.0389(8) 0.8851(8) 0.8917(3) 0.033(2) Uani 1 1 d . . . . .
H6A H -0.0117 0.9602 0.8803 0.039 Uiso 1 1 d R U . . .
B7 B 0.2388(9) 0.8551(10) 0.9434(3) 0.040(2) Uani 1 1 d . . . . .
H7A H 0.3068 0.8882 0.9679 0.048 Uiso 1 1 calc R U . . .
B8 B 0.2226(8) 0.7083(9) 0.9180(3) 0.035(2) Uani 1 1 d . . . . .
H8A H 0.2856 0.6435 0.9247 0.042 Uiso 1 1 calc R U . . .
B9 B 0.1086(9) 0.7335(10) 0.9452(3) 0.044(3) Uani 1 1 d . . . . .
H9 H 0.0973 0.6914 0.9714 0.053 Uiso 1 1 calc R U . . .
B10 B 0.0830(8) 0.8843(9) 0.9375(3) 0.039(2) Uani 1 1 d . . . . .
H10A H 0.0476 0.9426 0.9575 0.047 Uiso 1 1 calc R U . . .
P3 P 0.43396(19) 0.56185(19) 0.63712(6) 0.0340(5) Uani 1 1 d . . . . .
P4 P 0.03554(19) 0.18952(19) 0.66487(6) 0.0336(5) Uani 1 1 d . . . . .
O3 O 0.5215(5) 0.5952(5) 0.60996(16) 0.0374(14) Uani 1 1 d . . . . .
O4 O 0.0635(5) 0.0716(5) 0.67644(16) 0.0385(14) Uani 1 1 d . . . . .
C31 C 0.3112(7) 0.4246(7) 0.6254(2) 0.0341(19) Uani 1 1 d D . . . .
H31 H 0.256(8) 0.395(9) 0.644(2) 0.07(3) Uiso 1 1 d D . . . .
C32 C 0.1027(7) 0.2329(7) 0.6243(2) 0.0333(19) Uani 1 1 d . . . . .
C33 C 0.3538(7) 0.6828(7) 0.6468(2) 0.0350(19) Uani 1 1 d . . . . .
C34 C 0.2646(7) 0.6686(7) 0.6713(2) 0.037(2) Uani 1 1 d . . . . .
H34 H 0.2474 0.5954 0.6835 0.045 Uiso 1 1 calc R U . . .
C35 C 0.2035(8) 0.7618(8) 0.6774(3) 0.045(2) Uani 1 1 d . . . . .
H35 H 0.1432 0.7523 0.6938 0.053 Uiso 1 1 calc R U . . .
C36 C 0.2284(8) 0.8708(8) 0.6599(3) 0.050(3) Uani 1 1 d . . . . .
H36 H 0.1854 0.9348 0.6644 0.060 Uiso 1 1 calc R U . . .
C37 C 0.3146(9) 0.8844(8) 0.6364(3) 0.051(3) Uani 1 1 d . . . . .
H37 H 0.3313 0.9580 0.6244 0.061 Uiso 1 1 calc R U . . .
C38 C 0.3781(8) 0.7924(7) 0.6298(3) 0.041(2) Uani 1 1 d . . . . .
H38 H 0.4388 0.8038 0.6136 0.049 Uiso 1 1 calc R U . . .
C39 C 0.5117(7) 0.5368(7) 0.6800(2) 0.037(2) Uani 1 1 d . . . . .
C40 C 0.5593(8) 0.6319(8) 0.7066(3) 0.043(2) Uani 1 1 d . . . . .
H40 H 0.5436 0.7117 0.7033 0.052 Uiso 1 1 calc R U . . .
C41 C 0.6295(9) 0.6124(8) 0.7377(3) 0.043(2) Uani 1 1 d . . . . .
H41 H 0.6617 0.6782 0.7556 0.052 Uiso 1 1 calc R U . . .
C42 C 0.6521(9) 0.4951(9) 0.7424(3) 0.048(2) Uani 1 1 d . . . . .
H42 H 0.7010 0.4817 0.7636 0.057 Uiso 1 1 calc R U . . .
C43 C 0.6052(8) 0.3994(8) 0.7173(3) 0.045(2) Uani 1 1 d . . . . .
H43 H 0.6209 0.3198 0.7210 0.054 Uiso 1 1 calc R U . . .
C44 C 0.5342(8) 0.4194(8) 0.6863(2) 0.039(2) Uani 1 1 d . . . . .
H44 H 0.5002 0.3523 0.6690 0.046 Uiso 1 1 calc R U . . .
C45 C -0.1307(7) 0.1806(7) 0.6581(2) 0.0336(19) Uani 1 1 d . . . . .
C46 C -0.2057(8) 0.0782(8) 0.6712(3) 0.044(2) Uani 1 1 d . . . . .
H46 H -0.1681 0.0201 0.6834 0.052 Uiso 1 1 calc R U . . .
C47 C -0.3335(8) 0.0618(8) 0.6664(3) 0.049(2) Uani 1 1 d . . . . .
H47 H -0.3838 -0.0079 0.6749 0.058 Uiso 1 1 calc R U . . .
C48 C -0.3868(8) 0.1460(9) 0.6493(3) 0.051(3) Uani 1 1 d . . . . .
H48 H -0.4749 0.1328 0.6458 0.061 Uiso 1 1 calc R U . . .
C49 C -0.3177(8) 0.2503(9) 0.6369(3) 0.051(2) Uani 1 1 d . . . . .
H49 H -0.3570 0.3094 0.6258 0.062 Uiso 1 1 calc R U . . .
C50 C -0.1869(8) 0.2662(8) 0.6412(3) 0.045(2) Uani 1 1 d . . . . .
H50 H -0.1372 0.3358 0.6324 0.054 Uiso 1 1 calc R U . . .
C51 C 0.0984(7) 0.3126(7) 0.6994(2) 0.0329(18) Uani 1 1 d . . . . .
C52 C 0.2231(8) 0.3295(8) 0.7136(3) 0.043(2) Uani 1 1 d . . . . .
H52 H 0.2740 0.2800 0.7040 0.052 Uiso 1 1 calc R U . . .
C53 C 0.2739(8) 0.4193(9) 0.7421(2) 0.043(2) Uani 1 1 d . . . . .
H53 H 0.3594 0.4315 0.7510 0.052 Uiso 1 1 calc R U . . .
C54 C 0.2019(9) 0.4882(9) 0.7568(3) 0.049(2) Uani 1 1 d . . . . .
H54 H 0.2374 0.5485 0.7760 0.058 Uiso 1 1 calc R U . . .
C55 C 0.0781(9) 0.4719(9) 0.7444(3) 0.050(2) Uani 1 1 d . . . . .
H55 H 0.0278 0.5185 0.7556 0.060 Uiso 1 1 calc R U . . .
C56 C 0.0246(9) 0.3852(8) 0.7146(3) 0.045(2) Uani 1 1 d . . . . .
H56 H -0.0600 0.3768 0.7052 0.054 Uiso 1 1 calc R U . . .
B11 B 0.3450(9) 0.3228(8) 0.5971(3) 0.035(2) Uani 1 1 d . . . . .
H11A H 0.4488 0.3385 0.6010 0.042 Uiso 1 1 calc R U . . .
B12 B 0.2407(9) 0.4280(9) 0.5848(3) 0.036(2) Uani 1 1 d . . . . .
H12A H 0.2633 0.5272 0.5788 0.043 Uiso 1 1 calc R U . . .
B13 B 0.1025(8) 0.3657(8) 0.6072(3) 0.036(2) Uani 1 1 d . . . . .
H13A H 0.0677 0.4554 0.6188 0.043 Uiso 1 1 d R U . . .
B14 B 0.0180(8) 0.2189(8) 0.5834(3) 0.033(2) Uani 1 1 d . . . . .
H14A H -0.0853 0.1872 0.5777 0.039 Uiso 1 1 calc R U . . .
B15 B 0.1138(9) 0.1167(8) 0.5950(3) 0.034(2) Uani 1 1 d . . . . .
H15 H 0.0747 0.0165 0.5972 0.041 Uiso 1 1 calc R U . . .
B16 B 0.2443(9) 0.2095(8) 0.6235(3) 0.037(2) Uani 1 1 d . . . . .
H16A H 0.2824 0.1688 0.6459 0.045 Uiso 1 1 d R U . . .
B17 B 0.2505(9) 0.3037(9) 0.5548(3) 0.036(2) Uani 1 1 d . . . . .
H17A H 0.2964 0.3214 0.5300 0.044 Uiso 1 1 calc R U . . .
B18 B 0.1020(8) 0.3408(8) 0.5609(3) 0.036(2) Uani 1 1 d . . . . .
H18A H 0.0484 0.3892 0.5415 0.043 Uiso 1 1 calc R U . . .
B19 B 0.1197(9) 0.1840(8) 0.5528(3) 0.036(2) Uani 1 1 d . . . . .
H19A H 0.0848 0.1285 0.5267 0.043 Uiso 1 1 calc R U . . .
B20 B 0.2588(9) 0.1716(8) 0.5799(3) 0.035(2) Uani 1 1 d . . . . .
H20A H 0.3150 0.1020 0.5734 0.042 Uiso 1 1 calc R U . . .
N1 N 0.7937(6) 0.2095(6) 0.92459(19) 0.0353(16) Uani 1 1 d . . . . .
C61 C 0.6917(7) 0.2798(8) 0.9289(2) 0.036(2) Uani 1 1 d . . . . .
H61A H 0.6983 0.3444 0.9117 0.044 Uiso 1 1 calc R U . . .
H61B H 0.6107 0.2221 0.9221 0.044 Uiso 1 1 calc R U . . .
C62 C 0.6904(8) 0.3408(8) 0.9657(3) 0.043(2) Uani 1 1 d . . . . .
H62A H 0.7661 0.4063 0.9721 0.051 Uiso 1 1 calc R U . . .
H62B H 0.6884 0.2793 0.9839 0.051 Uiso 1 1 calc R U . . .
C63 C 0.5737(8) 0.3969(9) 0.9651(3) 0.049(2) Uani 1 1 d . . . . .
H63A H 0.4992 0.3304 0.9582 0.059 Uiso 1 1 calc R U . . .
H63B H 0.5687 0.4313 0.9896 0.059 Uiso 1 1 calc R U . . .
C64 C 0.5717(9) 0.4981(9) 0.9394(3) 0.053(3) Uani 1 1 d . . . . .
H64A H 0.5562 0.4614 0.9147 0.080 Uiso 1 1 calc R U . . .
H64B H 0.6520 0.5566 0.9430 0.080 Uiso 1 1 calc R U . . .
H64C H 0.5057 0.5414 0.9441 0.080 Uiso 1 1 calc R U . . .
C65 C 0.7747(7) 0.1485(8) 0.8873(2) 0.037(2) Uani 1 1 d . . . . .
H65A H 0.6966 0.0851 0.8846 0.045 Uiso 1 1 calc R U . . .
H65B H 0.8433 0.1053 0.8846 0.045 Uiso 1 1 calc R U . . .
C66 C 0.7683(8) 0.2322(9) 0.8567(3) 0.044(2) Uani 1 1 d . . . . .
H66A H 0.6959 0.2712 0.8576 0.053 Uiso 1 1 calc R U . . .
H66B H 0.8443 0.2984 0.8593 0.053 Uiso 1 1 calc R U . . .
C67 C 0.7570(8) 0.1600(8) 0.8220(2) 0.043(2) Uani 1 1 d . . . . .
H67A H 0.6831 0.0916 0.8202 0.052 Uiso 1 1 calc R U . . .
H67B H 0.8309 0.1232 0.8212 0.052 Uiso 1 1 calc R U . . .
C68 C 0.7450(9) 0.2378(9) 0.7893(3) 0.052(2) Uani 1 1 d . . . . .
H68A H 0.7424 0.1862 0.7672 0.077 Uiso 1 1 calc R U . . .
H68B H 0.8166 0.3072 0.7912 0.077 Uiso 1 1 calc R U . . .
H68C H 0.6685 0.2692 0.7889 0.077 Uiso 1 1 calc R U . . .
C69 C 0.9183(7) 0.2978(7) 0.9334(3) 0.039(2) Uani 1 1 d . . . . .
H69A H 0.9277 0.3270 0.9591 0.047 Uiso 1 1 calc R U . . .
H69B H 0.9173 0.3705 0.9193 0.047 Uiso 1 1 calc R U . . .
C70 C 1.0322(7) 0.2472(8) 0.9264(3) 0.043(2) Uani 1 1 d . . . . .
H70A H 1.0387 0.2426 0.9003 0.051 Uiso 1 1 calc R U . . .
H70B H 1.0234 0.1629 0.9345 0.051 Uiso 1 1 calc R U . . .
C71 C 1.1494(7) 0.3302(8) 0.9463(3) 0.048(2) Uani 1 1 d . . . . .
H71A H 1.2225 0.3014 0.9389 0.057 Uiso 1 1 calc R U . . .
H71B H 1.1545 0.4150 0.9388 0.057 Uiso 1 1 calc R U . . .
C72 C 1.1565(9) 0.3341(10) 0.9862(3) 0.058(3) Uani 1 1 d . . . . .
H72A H 1.1444 0.2499 0.9938 0.088 Uiso 1 1 calc R U . . .
H72B H 1.0916 0.3736 0.9942 0.088 Uiso 1 1 calc R U . . .
H72C H 1.2381 0.3814 0.9969 0.088 Uiso 1 1 calc R U . . .
C73 C 0.7909(8) 0.1066(7) 0.9502(3) 0.042(2) Uani 1 1 d . . . . .
H73A H 0.8484 0.0548 0.9430 0.050 Uiso 1 1 calc R U . . .
H73B H 0.8241 0.1452 0.9746 0.050 Uiso 1 1 calc R U . . .
C74 C 0.6685(8) 0.0238(7) 0.9525(3) 0.040(2) Uani 1 1 d . . . . .
H74A H 0.6232 0.0003 0.9282 0.048 Uiso 1 1 calc R U . . .
H74B H 0.6177 0.0669 0.9667 0.048 Uiso 1 1 calc R U . . .
C75 C 0.6904(8) -0.0919(8) 0.9704(3) 0.043(2) Uani 1 1 d . . . . .
H75A H 0.7323 -0.1393 0.9544 0.052 Uiso 1 1 calc R U . . .
H75B H 0.7468 -0.0664 0.9930 0.052 Uiso 1 1 calc R U . . .
C76 C 0.5719(9) -0.1747(9) 0.9787(3) 0.057(3) Uani 1 1 d . . . . .
H76A H 0.5158 -0.2009 0.9565 0.085 Uiso 1 1 calc R U . . .
H76B H 0.5316 -0.1295 0.9953 0.085 Uiso 1 1 calc R U . . .
H76C H 0.5916 -0.2474 0.9897 0.085 Uiso 1 1 calc R U . . .
N2 N 0.8332(6) 0.7131(6) 0.57364(19) 0.0358(16) Uani 1 1 d . . . . .
C81 C 0.7315(7) 0.7810(8) 0.5604(3) 0.041(2) Uani 1 1 d . . . . .
H81A H 0.7022 0.7528 0.5349 0.049 Uiso 1 1 calc R U . . .
H81B H 0.6603 0.7571 0.5742 0.049 Uiso 1 1 calc R U . . .
C82 C 0.7705(8) 0.9203(8) 0.5634(3) 0.047(2) Uani 1 1 d . . . . .
H82A H 0.8499 0.9449 0.5532 0.057 Uiso 1 1 calc R U . . .
H82B H 0.7845 0.9509 0.5890 0.057 Uiso 1 1 calc R U . . .
C83 C 0.6727(9) 0.9797(8) 0.5437(3) 0.052(3) Uani 1 1 d . . . . .
H83A H 0.7060 1.0696 0.5444 0.062 Uiso 1 1 calc R U . . .
H83B H 0.6576 0.9468 0.5183 0.062 Uiso 1 1 calc R U . . .
C84 C 0.5504(9) 0.9583(10) 0.5591(3) 0.062(3) Uani 1 1 d . . . . .
H84A H 0.4995 1.0133 0.5489 0.093 Uiso 1 1 calc R U . . .
H84B H 0.5657 0.9754 0.5852 0.093 Uiso 1 1 calc R U . . .
H84C H 0.5066 0.8724 0.5533 0.093 Uiso 1 1 calc R U . . .
C85 C 0.7756(8) 0.5766(8) 0.5729(3) 0.042(2) Uani 1 1 d . . . . .
H85A H 0.8421 0.5331 0.5809 0.050 Uiso 1 1 calc R U . . .
H85B H 0.7155 0.5657 0.5907 0.050 Uiso 1 1 calc R U . . .
C86 C 0.7097(9) 0.5141(8) 0.5374(3) 0.050(2) Uani 1 1 d . . . . .
H86A H 0.7665 0.5276 0.5187 0.060 Uiso 1 1 calc R U . . .
H86B H 0.6369 0.5499 0.5300 0.060 Uiso 1 1 calc R U . . .
C87 C 0.6674(9) 0.3765(8) 0.5409(3) 0.051(2) Uani 1 1 d . . . . .
H87A H 0.6300 0.3643 0.5636 0.061 Uiso 1 1 calc R U . . .
H87B H 0.7406 0.3380 0.5423 0.061 Uiso 1 1 calc R U . . .
C88 C 0.5724(9) 0.3119(10) 0.5094(3) 0.062(3) Uani 1 1 d . . . . .
H88A H 0.6070 0.3281 0.4868 0.093 Uiso 1 1 calc R U . . .
H88B H 0.4961 0.3435 0.5095 0.093 Uiso 1 1 calc R U . . .
H88C H 0.5536 0.2228 0.5119 0.093 Uiso 1 1 calc R U . . .
C89 C 0.9354(7) 0.7375(8) 0.5489(3) 0.040(2) Uani 1 1 d . . . . .
H89A H 0.8989 0.7062 0.5242 0.048 Uiso 1 1 calc R U . . .
H89B H 0.9660 0.8277 0.5490 0.048 Uiso 1 1 calc R U . . .
C90 C 1.0460(9) 0.6782(9) 0.5593(3) 0.055(3) Uani 1 1 d . . . . .
H90A H 1.0170 0.5882 0.5603 0.066 Uiso 1 1 calc R U . . .
H90B H 1.0880 0.7132 0.5833 0.066 Uiso 1 1 calc R U . . .
C91 C 1.1366(8) 0.7040(8) 0.5312(3) 0.045(2) Uani 1 1 d . . . . .
H91A H 1.2047 0.6599 0.5366 0.054 Uiso 1 1 calc R U . . .
H91B H 1.0924 0.6711 0.5073 0.054 Uiso 1 1 calc R U . . .
C92 C 1.1914(10) 0.8393(9) 0.5301(4) 0.066(3) Uani 1 1 d . . . . .
H92A H 1.2617 0.8495 0.5160 0.099 Uiso 1 1 calc R U . . .
H92B H 1.2199 0.8764 0.5546 0.099 Uiso 1 1 calc R U . . .
H92C H 1.1280 0.8802 0.5190 0.099 Uiso 1 1 calc R U . . .
C93 C 0.8873(8) 0.7571(8) 0.6119(3) 0.041(2) Uani 1 1 d . . . . .
H93A H 0.9412 0.7013 0.6205 0.049 Uiso 1 1 calc R U . . .
H93B H 0.9410 0.8401 0.6117 0.049 Uiso 1 1 calc R U . . .
C94 C 0.7966(8) 0.7646(8) 0.6385(3) 0.045(2) Uani 1 1 d . . . . .
H94A H 0.7251 0.6938 0.6334 0.054 Uiso 1 1 calc R U . . .
H94B H 0.7651 0.8413 0.6362 0.054 Uiso 1 1 calc R U . . .
C95 C 0.8584(8) 0.7632(8) 0.6763(3) 0.042(2) Uani 1 1 d . . . . .
H95A H 0.8051 0.7892 0.6935 0.051 Uiso 1 1 calc R U . . .
H95B H 0.9386 0.8236 0.6797 0.051 Uiso 1 1 calc R U . . .
C96 C 0.8815(9) 0.6350(9) 0.6847(3) 0.053(2) Uani 1 1 d . . . . .
H96A H 0.9446 0.6145 0.6704 0.079 Uiso 1 1 calc R U . . .
H96B H 0.8040 0.5731 0.6787 0.079 Uiso 1 1 calc R U . . .
H96C H 0.9106 0.6357 0.7103 0.079 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
P1 O1 1.497(6) . ?
P1 C9 1.805(8) . ?
P1 C1 1.808(8) . ?
P1 C3 1.825(9) . ?
P2 O2 1.474(6) . ?
P2 C15 1.804(8) . ?
P2 C2 1.820(8) . ?
P2 C21 1.820(8) . ?
C1 B1 1.630(14) . ?
C1 B2 1.630(13) . ?
C1 H1 1.00(2) . ?
C2 B6 1.632(12) . ?
C2 B3 1.653(10) . ?
C2 B5 1.703(13) . ?
C2 B4 1.705(11) . ?
C3 C4 1.384(12) . ?
C3 C8 1.400(13) . ?
C4 C5 1.417(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(14) . ?
C5 H5 0.9500 . ?
C6 C7 1.373(14) . ?
C6 H6 0.9500 . ?
C7 C8 1.397(14) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C14 1.375(12) . ?
C9 C10 1.407(12) . ?
C10 C11 1.371(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.401(13) . ?
C11 H11 0.9500 . ?
C12 C13 1.382(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.395(12) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.383(11) . ?
C15 C20 1.423(11) . ?
C16 C17 1.396(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.358(13) . ?
C17 H17 0.9500 . ?
C18 C19 1.395(13) . ?
C18 H18 0.9500 . ?
C19 C20 1.389(12) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.382(11) . ?
C21 C22 1.393(12) . ?
C22 C23 1.409(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.365(13) . ?
C23 H23 0.9500 . ?
C24 C25 1.379(13) . ?
C24 H24 0.9500 . ?
C25 C26 1.369(11) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
B1 B7 1.817(14) . ?
B1 B10 1.817(13) . ?
B1 B2 1.841(12) . ?
B1 B6 1.870(13) . ?
B1 H1A 1.1200 . ?
B2 B8 1.800(14) . ?
B2 B7 1.831(14) . ?
B2 B3 1.858(15) . ?
B2 H2 1.1200 . ?
B3 B8 1.719(15) . ?
B3 B4 1.817(13) . ?
B3 H3 1.0997 . ?
B4 B8 1.744(13) . ?
B4 B9 1.759(15) . ?
B4 B5 1.765(12) . ?
B4 H4A 1.1200 . ?
B5 B9 1.767(14) . ?
B5 B10 1.775(15) . ?
B5 B6 1.839(14) . ?
B5 H5A 1.1200 . ?
B6 B10 1.742(15) . ?
B6 H6A 1.1721 . ?
B7 B9 1.773(16) . ?
B7 B8 1.812(14) . ?
B7 B10 1.813(12) . ?
B7 H7A 1.1200 . ?
B8 B9 1.765(14) . ?
B8 H8A 1.1200 . ?
B9 B10 1.789(15) . ?
B9 H9 1.1200 . ?
B10 H10A 1.1200 . ?
P3 O3 1.493(6) . ?
P3 C33 1.799(8) . ?
P3 C39 1.810(9) . ?
P3 C31 1.822(9) . ?
P4 O4 1.484(5) . ?
P4 C51 1.808(9) . ?
P4 C32 1.813(9) . ?
P4 C45 1.814(8) . ?
C31 B11 1.639(12) . ?
C31 B12 1.645(13) . ?
C31 H31 1.00(2) . ?
C32 B13 1.642(12) . ?
C32 B16 1.645(11) . ?
C32 B15 1.686(12) . ?
C32 B14 1.699(13) . ?
C33 C38 1.395(11) . ?
C33 C34 1.415(11) . ?
C34 C35 1.370(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.402(13) . ?
C35 H35 0.9500 . ?
C36 C37 1.361(14) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(11) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.392(12) . ?
C39 C44 1.405(11) . ?
C40 C41 1.387(13) . ?
C40 H40 0.9500 . ?
C41 C42 1.393(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.361(13) . ?
C42 H42 0.9500 . ?
C43 C44 1.390(12) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C50 1.386(12) . ?
C45 C46 1.410(12) . ?
C46 C47 1.380(12) . ?
C46 H46 0.9500 . ?
C47 C48 1.359(14) . ?
C47 H47 0.9500 . ?
C48 C49 1.385(14) . ?
C48 H48 0.9500 . ?
C49 C50 1.415(12) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.398(12) . ?
C51 C56 1.402(11) . ?
C52 C53 1.410(13) . ?
C52 H52 0.9500 . ?
C53 C54 1.352(13) . ?
C53 H53 0.9500 . ?
C54 C55 1.374(13) . ?
C54 H54 0.9500 . ?
C55 C56 1.430(14) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
B11 B17 1.784(14) . ?
B11 B20 1.801(14) . ?
B11 B12 1.847(13) . ?
B11 B16 1.900(13) . ?
B11 H11A 1.1200 . ?
B12 B17 1.764(14) . ?
B12 B18 1.765(14) . ?
B12 B13 1.854(13) . ?
B12 H12A 1.1200 . ?
B13 B18 1.748(16) . ?
B13 B14 1.838(13) . ?
B13 H13A 1.2178 . ?
B14 B15 1.748(12) . ?
B14 B19 1.774(13) . ?
B14 B18 1.786(13) . ?
B14 H14A 1.1200 . ?
B15 B20 1.763(13) . ?
B15 B19 1.792(14) . ?
B15 B16 1.801(14) . ?
B15 H15 1.1200 . ?
B16 B20 1.704(15) . ?
B16 H16A 1.0661 . ?
B17 B19 1.747(14) . ?
B17 B20 1.800(13) . ?
B17 B18 1.810(13) . ?
B17 H17A 1.1200 . ?
B18 B19 1.806(12) . ?
B18 H18A 1.1200 . ?
B19 B20 1.788(14) . ?
B19 H19A 1.1200 . ?
B20 H20A 1.1200 . ?
N1 C65 1.499(11) . ?
N1 C69 1.513(10) . ?
N1 C61 1.518(10) . ?
N1 C73 1.533(11) . ?
C61 C62 1.512(12) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.544(12) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.522(14) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.521(12) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.476(13) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.551(13) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.525(11) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.525(12) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.496(14) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.489(12) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.533(11) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.514(12) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
N2 C93 1.512(12) . ?
N2 C85 1.517(11) . ?
N2 C89 1.532(10) . ?
N2 C81 1.536(10) . ?
C81 C82 1.514(12) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.527(12) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.510(14) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 C86 1.513(13) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.522(13) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C88 1.536(14) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 C90 1.532(12) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 C91 1.534(12) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C92 1.507(13) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.503(12) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.515(13) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.542(12) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?

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
O1 P1 C9 112.9(4) . . ?
O1 P1 C1 116.2(4) . . ?
C9 P1 C1 104.5(4) . . ?
O1 P1 C3 111.8(4) . . ?
C9 P1 C3 104.4(4) . . ?
C1 P1 C3 106.0(4) . . ?
O2 P2 C15 110.8(4) . . ?
O2 P2 C2 113.0(3) . . ?
C15 P2 C2 105.2(4) . . ?
O2 P2 C21 112.0(4) . . ?
C15 P2 C21 106.3(4) . . ?
C2 P2 C21 109.1(4) . . ?
B1 C1 B2 68.8(6) . . ?
B1 C1 P1 113.6(6) . . ?
B2 C1 P1 115.5(6) . . ?
B1 C1 H1 127(5) . . ?
B2 C1 H1 120(5) . . ?
P1 C1 H1 108(5) . . ?
B6 C2 B3 107.1(6) . . ?
B6 C2 B5 66.9(6) . . ?
B3 C2 B5 115.3(7) . . ?
B6 C2 B4 115.6(7) . . ?
B3 C2 B4 65.5(5) . . ?
B5 C2 B4 62.4(5) . . ?
B6 C2 P2 122.4(5) . . ?
B3 C2 P2 115.1(6) . . ?
B5 C2 P2 120.9(5) . . ?
B4 C2 P2 116.7(5) . . ?
C4 C3 C8 119.3(8) . . ?
C4 C3 P1 118.3(7) . . ?
C8 C3 P1 122.1(6) . . ?
C3 C4 C5 119.6(9) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C6 C5 C4 119.8(9) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C7 C6 C5 121.0(10) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C8 119.3(10) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C7 C8 C3 120.9(9) . . ?
C7 C8 H8 119.6 . . ?
C3 C8 H8 119.6 . . ?
C14 C9 C10 119.0(8) . . ?
C14 C9 P1 119.6(7) . . ?
C10 C9 P1 121.4(7) . . ?
C11 C10 C9 120.5(8) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.4(9) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C13 C12 C11 119.1(8) . . ?
C13 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
C12 C13 C14 120.4(9) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C9 C14 C13 120.6(9) . . ?
C9 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C20 118.2(8) . . ?
C16 C15 P2 125.8(6) . . ?
C20 C15 P2 116.0(6) . . ?
C15 C16 C17 120.8(8) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 121.2(8) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C19 119.2(9) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C20 C19 C18 120.9(9) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C15 119.6(8) . . ?
C19 C20 H20 120.2 . . ?
C15 C20 H20 120.2 . . ?
C26 C21 C22 119.5(7) . . ?
C26 C21 P2 124.7(6) . . ?
C22 C21 P2 115.7(6) . . ?
C21 C22 C23 118.8(8) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 H22 120.6 . . ?
C24 C23 C22 119.9(8) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 121.1(8) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C26 C25 C24 119.3(8) . . ?
C26 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C25 C26 C21 121.3(8) . . ?
C25 C26 H26 119.3 . . ?
C21 C26 H26 119.3 . . ?
C1 B1 B7 115.2(7) . . ?
C1 B1 B10 133.8(7) . . ?
B7 B1 B10 59.9(5) . . ?
C1 B1 B2 55.6(5) . . ?
B7 B1 B2 60.1(5) . . ?
B10 B1 B2 106.4(6) . . ?
C1 B1 B6 84.1(6) . . ?
B7 B1 B6 102.4(6) . . ?
B10 B1 B6 56.4(5) . . ?
B2 B1 B6 101.9(6) . . ?
C1 B1 H1A 103.2 . . ?
B7 B1 H1A 124.4 . . ?
B10 B1 H1A 116.7 . . ?
B2 B1 H1A 130.9 . . ?
B6 B1 H1A 120.9 . . ?
C1 B2 B8 133.7(7) . . ?
C1 B2 B7 114.4(6) . . ?
B8 B2 B7 59.9(6) . . ?
C1 B2 B1 55.6(5) . . ?
B8 B2 B1 105.8(6) . . ?
B7 B2 B1 59.3(5) . . ?
C1 B2 B3 85.0(6) . . ?
B8 B2 B3 56.0(5) . . ?
B7 B2 B3 102.6(7) . . ?
B1 B2 B3 102.9(6) . . ?
C1 B2 H2 103.1 . . ?
B8 B2 H2 117.1 . . ?
B7 B2 H2 125.0 . . ?
B1 B2 H2 130.9 . . ?
B3 B2 H2 120.0 . . ?
C2 B3 B8 105.4(7) . . ?
C2 B3 B4 58.6(5) . . ?
B8 B3 B4 59.0(6) . . ?
C2 B3 B2 113.3(6) . . ?
B8 B3 B2 60.3(6) . . ?
B4 B3 B2 111.1(7) . . ?
C2 B3 H3 114.9 . . ?
B8 B3 H3 136.2 . . ?
B4 B3 H3 131.4 . . ?
B2 B3 H3 114.3 . . ?
C2 B4 B8 102.1(6) . . ?
C2 B4 B9 103.8(7) . . ?
B8 B4 B9 60.5(6) . . ?
C2 B4 B5 58.8(5) . . ?
B8 B4 B5 108.1(7) . . ?
B9 B4 B5 60.2(6) . . ?
C2 B4 B3 55.9(4) . . ?
B8 B4 B3 57.7(5) . . ?
B9 B4 B3 104.7(7) . . ?
B5 B4 B3 104.6(6) . . ?
C2 B4 H4A 126.1 . . ?
B8 B4 H4A 122.9 . . ?
B9 B4 H4A 122.7 . . ?
B5 B4 H4A 121.6 . . ?
B3 B4 H4A 125.0 . . ?
C2 B5 B4 58.9(5) . . ?
C2 B5 B9 103.5(6) . . ?
B4 B5 B9 59.7(6) . . ?
C2 B5 B10 101.7(7) . . ?
B4 B5 B10 107.6(7) . . ?
B9 B5 B10 60.7(6) . . ?
C2 B5 B6 54.7(5) . . ?
B4 B5 B6 103.1(6) . . ?
B9 B5 B6 103.8(7) . . ?
B10 B5 B6 57.6(6) . . ?
C2 B5 H5A 126.3 . . ?
B4 B5 H5A 122.2 . . ?
B9 B5 H5A 122.9 . . ?
B10 B5 H5A 122.9 . . ?
B6 B5 H5A 126.1 . . ?
C2 B6 B10 106.1(7) . . ?
C2 B6 B5 58.4(5) . . ?
B10 B6 B5 59.3(6) . . ?
C2 B6 B1 113.9(6) . . ?
B10 B6 B1 60.3(5) . . ?
B5 B6 B1 111.1(7) . . ?
C2 B6 H6A 127.6 . . ?
B10 B6 H6A 121.2 . . ?
B5 B6 H6A 129.3 . . ?
B1 B6 H6A 108.6 . . ?
B9 B7 B8 59.0(6) . . ?
B9 B7 B10 59.8(5) . . ?
B8 B7 B10 103.3(7) . . ?
B9 B7 B1 110.2(7) . . ?
B8 B7 B1 106.4(7) . . ?
B10 B7 B1 60.1(5) . . ?
B9 B7 B2 109.3(8) . . ?
B8 B7 B2 59.2(6) . . ?
B10 B7 B2 107.0(7) . . ?
B1 B7 B2 60.6(5) . . ?
B9 B7 H7A 120.3 . . ?
B8 B7 H7A 124.7 . . ?
B10 B7 H7A 123.8 . . ?
B1 B7 H7A 120.8 . . ?
B2 B7 H7A 121.2 . . ?
B3 B8 B4 63.3(5) . . ?
B3 B8 B9 108.6(7) . . ?
B4 B8 B9 60.2(6) . . ?
B3 B8 B2 63.7(6) . . ?
B4 B8 B2 117.5(7) . . ?
B9 B8 B2 111.1(7) . . ?
B3 B8 B7 109.2(7) . . ?
B4 B8 B7 110.5(6) . . ?
B9 B8 B7 59.4(6) . . ?
B2 B8 B7 60.9(5) . . ?
B3 B8 H8A 120.2 . . ?
B4 B8 H8A 117.3 . . ?
B9 B8 H8A 122.4 . . ?
B2 B8 H8A 116.6 . . ?
B7 B8 H8A 122.1 . . ?
B4 B9 B8 59.3(5) . . ?
B4 B9 B5 60.1(5) . . ?
B8 B9 B5 107.0(7) . . ?
B4 B9 B7 111.7(8) . . ?
B8 B9 B7 61.6(6) . . ?
B5 B9 B7 111.8(8) . . ?
B4 B9 B10 107.3(7) . . ?
B8 B9 B10 106.3(8) . . ?
B5 B9 B10 59.9(6) . . ?
B7 B9 B10 61.2(6) . . ?
B4 B9 H9 121.2 . . ?
B8 B9 H9 123.0 . . ?
B5 B9 H9 121.1 . . ?
B7 B9 H9 118.0 . . ?
B10 B9 H9 122.9 . . ?
B6 B10 B5 63.0(6) . . ?
B6 B10 B9 107.0(7) . . ?
B5 B10 B9 59.5(6) . . ?
B6 B10 B7 107.8(7) . . ?
B5 B10 B7 109.6(7) . . ?
B9 B10 B7 59.0(6) . . ?
B6 B10 B1 63.4(6) . . ?
B5 B10 B1 116.7(8) . . ?
B9 B10 B1 109.5(7) . . ?
B7 B10 B1 60.1(5) . . ?
B6 B10 H10A 121.0 . . ?
B5 B10 H10A 117.7 . . ?
B9 B10 H10A 123.5 . . ?
B7 B10 H10A 122.9 . . ?
B1 B10 H10A 117.3 . . ?
O3 P3 C33 111.9(4) . . ?
O3 P3 C39 112.8(4) . . ?
C33 P3 C39 104.8(4) . . ?
O3 P3 C31 116.3(4) . . ?
C33 P3 C31 104.7(4) . . ?
C39 P3 C31 105.2(4) . . ?
O4 P4 C51 110.2(4) . . ?
O4 P4 C32 111.8(3) . . ?
C51 P4 C32 107.6(4) . . ?
O4 P4 C45 110.9(3) . . ?
C51 P4 C45 106.2(4) . . ?
C32 P4 C45 109.9(4) . . ?
B11 C31 B12 68.5(6) . . ?
B11 C31 P3 114.5(6) . . ?
B12 C31 P3 110.7(6) . . ?
B11 C31 H31 119(6) . . ?
B12 C31 H31 116(6) . . ?
P3 C31 H31 118(6) . . ?
B13 C32 B16 105.9(6) . . ?
B13 C32 B15 115.3(7) . . ?
B16 C32 B15 65.5(6) . . ?
B13 C32 B14 66.7(6) . . ?
B16 C32 B14 114.3(7) . . ?
B15 C32 B14 62.2(5) . . ?
B13 C32 P4 123.8(6) . . ?
B16 C32 P4 114.0(6) . . ?
B15 C32 P4 116.6(5) . . ?
B14 C32 P4 123.3(5) . . ?
C38 C33 C34 118.8(7) . . ?
C38 C33 P3 120.3(6) . . ?
C34 C33 P3 120.9(6) . . ?
C35 C34 C33 119.2(8) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C34 C35 C36 121.1(8) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 H35 119.4 . . ?
C37 C36 C35 119.5(8) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C36 C37 C38 120.7(9) . . ?
C36 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
C37 C38 C33 120.6(9) . . ?
C37 C38 H38 119.7 . . ?
C33 C38 H38 119.7 . . ?
C40 C39 C44 117.7(8) . . ?
C40 C39 P3 122.5(6) . . ?
C44 C39 P3 119.6(7) . . ?
C41 C40 C39 121.2(8) . . ?
C41 C40 H40 119.4 . . ?
C39 C40 H40 119.4 . . ?
C40 C41 C42 119.2(8) . . ?
C40 C41 H41 120.4 . . ?
C42 C41 H41 120.4 . . ?
C43 C42 C41 121.2(9) . . ?
C43 C42 H42 119.4 . . ?
C41 C42 H42 119.4 . . ?
C42 C43 C44 119.3(8) . . ?
C42 C43 H43 120.3 . . ?
C44 C43 H43 120.3 . . ?
C43 C44 C39 121.4(8) . . ?
C43 C44 H44 119.3 . . ?
C39 C44 H44 119.3 . . ?
C50 C45 C46 119.1(8) . . ?
C50 C45 P4 124.6(6) . . ?
C46 C45 P4 116.3(6) . . ?
C47 C46 C45 120.4(8) . . ?
C47 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C48 C47 C46 119.6(8) . . ?
C48 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
C47 C48 C49 122.5(8) . . ?
C47 C48 H48 118.8 . . ?
C49 C48 H48 118.8 . . ?
C48 C49 C50 118.1(9) . . ?
C48 C49 H49 121.0 . . ?
C50 C49 H49 121.0 . . ?
C45 C50 C49 120.3(9) . . ?
C45 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
C52 C51 C56 118.5(8) . . ?
C52 C51 P4 118.8(6) . . ?
C56 C51 P4 122.5(7) . . ?
C51 C52 C53 120.7(8) . . ?
C51 C52 H52 119.7 . . ?
C53 C52 H52 119.7 . . ?
C54 C53 C52 120.5(9) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C53 C54 C55 120.7(9) . . ?
C53 C54 H54 119.6 . . ?
C55 C54 H54 119.6 . . ?
C54 C55 C56 120.3(9) . . ?
C54 C55 H55 119.9 . . ?
C56 C55 H55 119.9 . . ?
C51 C56 C55 119.3(8) . . ?
C51 C56 H56 120.4 . . ?
C55 C56 H56 120.4 . . ?
C31 B11 B17 113.2(7) . . ?
C31 B11 B20 130.6(7) . . ?
B17 B11 B20 60.2(6) . . ?
C31 B11 B12 55.9(5) . . ?
B17 B11 B12 58.1(5) . . ?
B20 B11 B12 105.0(7) . . ?
C31 B11 B16 82.8(6) . . ?
B17 B11 B16 100.8(7) . . ?
B20 B11 B16 54.7(5) . . ?
B12 B11 B16 101.5(6) . . ?
C31 B11 H11A 104.9 . . ?
B17 B11 H11A 125.4 . . ?
B20 B11 H11A 117.9 . . ?
B12 B11 H11A 130.9 . . ?
B16 B11 H11A 121.9 . . ?
C31 B12 B17 113.9(7) . . ?
C31 B12 B18 133.3(8) . . ?
B17 B12 B18 61.7(5) . . ?
C31 B12 B11 55.6(5) . . ?
B17 B12 B11 59.2(5) . . ?
B18 B12 B11 108.7(7) . . ?
C31 B12 B13 81.5(6) . . ?
B17 B12 B13 103.2(7) . . ?
B18 B12 B13 57.7(6) . . ?
B11 B12 B13 102.3(6) . . ?
C31 B12 H12A 105.0 . . ?
B17 B12 H12A 124.3 . . ?
B18 B12 H12A 114.7 . . ?
B11 B12 H12A 130.0 . . ?
B13 B12 H12A 121.1 . . ?
C32 B13 B18 107.1(7) . . ?
C32 B13 B14 58.1(5) . . ?
B18 B13 B14 59.7(6) . . ?
C32 B13 B12 115.2(6) . . ?
B18 B13 B12 58.6(5) . . ?
B14 B13 B12 109.6(7) . . ?
C32 B13 H13A 129.8 . . ?
B18 B13 H13A 118.9 . . ?
B14 B13 H13A 132.2 . . ?
B12 B13 H13A 105.5 . . ?
C32 B14 B15 58.5(5) . . ?
C32 B14 B19 104.6(6) . . ?
B15 B14 B19 61.1(5) . . ?
C32 B14 B18 103.0(6) . . ?
B15 B14 B18 109.3(6) . . ?
B19 B14 B18 61.0(5) . . ?
C32 B14 B13 55.2(5) . . ?
B15 B14 B13 103.2(6) . . ?
B19 B14 B13 103.9(6) . . ?
B18 B14 B13 57.6(5) . . ?
C32 B14 H14A 125.8 . . ?
B15 B14 H14A 121.6 . . ?
B19 B14 H14A 122.3 . . ?
B18 B14 H14A 122.0 . . ?
B13 B14 H14A 126.4 . . ?
C32 B15 B14 59.3(5) . . ?
C32 B15 B20 102.4(6) . . ?
B14 B15 B20 107.9(7) . . ?
C32 B15 B19 104.5(6) . . ?
B14 B15 B19 60.1(5) . . ?
B20 B15 B19 60.4(5) . . ?
C32 B15 B16 56.2(5) . . ?
B14 B15 B16 104.7(6) . . ?
B20 B15 B16 57.1(5) . . ?
B19 B15 B16 104.1(7) . . ?
C32 B15 H15 125.4 . . ?
B14 B15 H15 121.6 . . ?
B20 B15 H15 123.2 . . ?
B19 B15 H15 122.8 . . ?
B16 B15 H15 125.4 . . ?
C32 B16 B20 106.8(8) . . ?
C32 B16 B15 58.3(5) . . ?
B20 B16 B15 60.3(6) . . ?
C32 B16 B11 113.9(6) . . ?
B20 B16 B11 59.7(5) . . ?
B15 B16 B11 111.3(7) . . ?
C32 B16 H16A 116.8 . . ?
B20 B16 H16A 124.7 . . ?
B15 B16 H16A 117.7 . . ?
B11 B16 H16A 122.2 . . ?
B19 B17 B12 111.4(7) . . ?
B19 B17 B11 112.7(7) . . ?
B12 B17 B11 62.7(5) . . ?
B19 B17 B20 60.5(5) . . ?
B12 B17 B20 108.6(7) . . ?
B11 B17 B20 60.3(5) . . ?
B19 B17 B18 61.0(5) . . ?
B12 B17 B18 59.2(5) . . ?
B11 B17 B18 109.5(7) . . ?
B20 B17 B18 105.8(7) . . ?
B19 B17 H17A 118.7 . . ?
B12 B17 H17A 120.2 . . ?
B11 B17 H17A 118.9 . . ?
B20 B17 H17A 123.1 . . ?
B18 B17 H17A 123.0 . . ?
B13 B18 B12 63.7(6) . . ?
B13 B18 B14 62.7(6) . . ?
B12 B18 B14 116.3(8) . . ?
B13 B18 B19 106.3(7) . . ?
B12 B18 B19 108.6(6) . . ?
B14 B18 B19 59.2(5) . . ?
B13 B18 B17 105.7(7) . . ?
B12 B18 B17 59.1(5) . . ?
B14 B18 B17 107.2(6) . . ?
B19 B18 B17 57.8(5) . . ?
B13 B18 H18A 121.5 . . ?
B12 B18 H18A 117.5 . . ?
B14 B18 H18A 118.4 . . ?
B19 B18 H18A 124.0 . . ?
B17 B18 H18A 124.9 . . ?
B17 B19 B14 110.6(7) . . ?
B17 B19 B20 61.2(5) . . ?
B14 B19 B20 105.6(7) . . ?
B17 B19 B15 110.3(7) . . ?
B14 B19 B15 58.7(5) . . ?
B20 B19 B15 59.0(5) . . ?
B17 B19 B18 61.2(5) . . ?
B14 B19 B18 59.8(5) . . ?
B20 B19 B18 106.4(7) . . ?
B15 B19 B18 106.5(7) . . ?
B17 B19 H19A 118.7 . . ?
B14 B19 H19A 122.1 . . ?
B20 B19 H19A 123.3 . . ?
B15 B19 H19A 122.2 . . ?
B18 B19 H19A 122.6 . . ?
B16 B20 B15 62.6(6) . . ?
B16 B20 B19 108.4(7) . . ?
B15 B20 B19 60.6(5) . . ?
B16 B20 B17 108.3(7) . . ?
B15 B20 B17 109.2(6) . . ?
B19 B20 B17 58.3(5) . . ?
B16 B20 B11 65.6(6) . . ?
B15 B20 B11 118.1(7) . . ?
B19 B20 B11 109.9(6) . . ?
B17 B20 B11 59.4(5) . . ?
B16 B20 H20A 119.8 . . ?
B15 B20 H20A 117.4 . . ?
B19 B20 H20A 122.9 . . ?
B17 B20 H20A 123.8 . . ?
B11 B20 H20A 116.3 . . ?
C65 N1 C69 113.0(7) . . ?
C65 N1 C61 109.1(6) . . ?
C69 N1 C61 108.8(6) . . ?
C65 N1 C73 106.7(6) . . ?
C69 N1 C73 107.2(6) . . ?
C61 N1 C73 112.1(6) . . ?
C62 C61 N1 116.8(7) . . ?
C62 C61 H61A 108.1 . . ?
N1 C61 H61A 108.1 . . ?
C62 C61 H61B 108.1 . . ?
N1 C61 H61B 108.1 . . ?
H61A C61 H61B 107.3 . . ?
C61 C62 C63 108.3(8) . . ?
C61 C62 H62A 110.0 . . ?
C63 C62 H62A 110.0 . . ?
C61 C62 H62B 110.0 . . ?
C63 C62 H62B 110.0 . . ?
H62A C62 H62B 108.4 . . ?
C64 C63 C62 113.9(8) . . ?
C64 C63 H63A 108.8 . . ?
C62 C63 H63A 108.8 . . ?
C64 C63 H63B 108.8 . . ?
C62 C63 H63B 108.8 . . ?
H63A C63 H63B 107.7 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N1 C65 C66 116.6(7) . . ?
N1 C65 H65A 108.1 . . ?
C66 C65 H65A 108.1 . . ?
N1 C65 H65B 108.1 . . ?
C66 C65 H65B 108.1 . . ?
H65A C65 H65B 107.3 . . ?
C67 C66 C65 110.0(7) . . ?
C67 C66 H66A 109.7 . . ?
C65 C66 H66A 109.7 . . ?
C67 C66 H66B 109.7 . . ?
C65 C66 H66B 109.7 . . ?
H66A C66 H66B 108.2 . . ?
C66 C67 C68 113.3(8) . . ?
C66 C67 H67A 108.9 . . ?
C68 C67 H67A 108.9 . . ?
C66 C67 H67B 108.9 . . ?
C68 C67 H67B 108.9 . . ?
H67A C67 H67B 107.7 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N1 C69 C70 116.4(7) . . ?
N1 C69 H69A 108.2 . . ?
C70 C69 H69A 108.2 . . ?
N1 C69 H69B 108.2 . . ?
C70 C69 H69B 108.2 . . ?
H69A C69 H69B 107.3 . . ?
C69 C70 C71 110.3(7) . . ?
C69 C70 H70A 109.6 . . ?
C71 C70 H70A 109.6 . . ?
C69 C70 H70B 109.6 . . ?
C71 C70 H70B 109.6 . . ?
H70A C70 H70B 108.1 . . ?
C72 C71 C70 114.6(8) . . ?
C72 C71 H71A 108.6 . . ?
C70 C71 H71A 108.6 . . ?
C72 C71 H71B 108.6 . . ?
C70 C71 H71B 108.6 . . ?
H71A C71 H71B 107.6 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 N1 117.3(7) . . ?
C74 C73 H73A 108.0 . . ?
N1 C73 H73A 108.0 . . ?
C74 C73 H73B 108.0 . . ?
N1 C73 H73B 108.0 . . ?
H73A C73 H73B 107.2 . . ?
C73 C74 C75 108.8(7) . . ?
C73 C74 H74A 109.9 . . ?
C75 C74 H74A 109.9 . . ?
C73 C74 H74B 109.9 . . ?
C75 C74 H74B 109.9 . . ?
H74A C74 H74B 108.3 . . ?
C76 C75 C74 113.2(8) . . ?
C76 C75 H75A 108.9 . . ?
C74 C75 H75A 108.9 . . ?
C76 C75 H75B 108.9 . . ?
C74 C75 H75B 108.9 . . ?
H75A C75 H75B 107.7 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C93 N2 C85 107.7(6) . . ?
C93 N2 C89 109.8(6) . . ?
C85 N2 C89 111.6(6) . . ?
C93 N2 C81 111.3(6) . . ?
C85 N2 C81 108.5(6) . . ?
C89 N2 C81 108.0(6) . . ?
C82 C81 N2 115.2(7) . . ?
C82 C81 H81A 108.5 . . ?
N2 C81 H81A 108.5 . . ?
C82 C81 H81B 108.5 . . ?
N2 C81 H81B 108.5 . . ?
H81A C81 H81B 107.5 . . ?
C81 C82 C83 111.8(8) . . ?
C81 C82 H82A 109.3 . . ?
C83 C82 H82A 109.3 . . ?
C81 C82 H82B 109.3 . . ?
C83 C82 H82B 109.3 . . ?
H82A C82 H82B 107.9 . . ?
C84 C83 C82 114.2(9) . . ?
C84 C83 H83A 108.7 . . ?
C82 C83 H83A 108.7 . . ?
C84 C83 H83B 108.7 . . ?
C82 C83 H83B 108.7 . . ?
H83A C83 H83B 107.6 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C86 C85 N2 116.8(7) . . ?
C86 C85 H85A 108.1 . . ?
N2 C85 H85A 108.1 . . ?
C86 C85 H85B 108.1 . . ?
N2 C85 H85B 108.1 . . ?
H85A C85 H85B 107.3 . . ?
C85 C86 C87 109.5(8) . . ?
C85 C86 H86A 109.8 . . ?
C87 C86 H86A 109.8 . . ?
C85 C86 H86B 109.8 . . ?
C87 C86 H86B 109.8 . . ?
H86A C86 H86B 108.2 . . ?
C86 C87 C88 112.5(9) . . ?
C86 C87 H87A 109.1 . . ?
C88 C87 H87A 109.1 . . ?
C86 C87 H87B 109.1 . . ?
C88 C87 H87B 109.1 . . ?
H87A C87 H87B 107.8 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C90 C89 N2 114.3(7) . . ?
C90 C89 H89A 108.7 . . ?
N2 C89 H89A 108.7 . . ?
C90 C89 H89B 108.7 . . ?
N2 C89 H89B 108.7 . . ?
H89A C89 H89B 107.6 . . ?
C89 C90 C91 108.5(8) . . ?
C89 C90 H90A 110.0 . . ?
C91 C90 H90A 110.0 . . ?
C89 C90 H90B 110.0 . . ?
C91 C90 H90B 110.0 . . ?
H90A C90 H90B 108.4 . . ?
C92 C91 C90 112.9(8) . . ?
C92 C91 H91A 109.0 . . ?
C90 C91 H91A 109.0 . . ?
C92 C91 H91B 109.0 . . ?
C90 C91 H91B 109.0 . . ?
H91A C91 H91B 107.8 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 N2 116.9(7) . . ?
C94 C93 H93A 108.1 . . ?
N2 C93 H93A 108.1 . . ?
C94 C93 H93B 108.1 . . ?
N2 C93 H93B 108.1 . . ?
H93A C93 H93B 107.3 . . ?
C93 C94 C95 110.5(7) . . ?
C93 C94 H94A 109.5 . . ?
C95 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
C95 C94 H94B 109.5 . . ?
H94A C94 H94B 108.1 . . ?
C94 C95 C96 112.5(8) . . ?
C94 C95 H95A 109.1 . . ?
C96 C95 H95A 109.1 . . ?
C94 C95 H95B 109.1 . . ?
C96 C95 H95B 109.1 . . ?
H95A C95 H95B 107.8 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 P1 C1 B1 52.2(7) . . . . ?
C9 P1 C1 B1 -72.9(6) . . . . ?
C3 P1 C1 B1 177.1(5) . . . . ?
O1 P1 C1 B2 -24.6(8) . . . . ?
C9 P1 C1 B2 -149.7(6) . . . . ?
C3 P1 C1 B2 100.3(7) . . . . ?
O2 P2 C2 B6 171.8(6) . . . . ?
C15 P2 C2 B6 50.8(7) . . . . ?
C21 P2 C2 B6 -62.8(7) . . . . ?
O2 P2 C2 B3 38.8(7) . . . . ?
C15 P2 C2 B3 -82.2(6) . . . . ?
C21 P2 C2 B3 164.2(5) . . . . ?
O2 P2 C2 B5 -107.4(6) . . . . ?
C15 P2 C2 B5 131.5(6) . . . . ?
C21 P2 C2 B5 17.9(7) . . . . ?
O2 P2 C2 B4 -35.1(6) . . . . ?
C15 P2 C2 B4 -156.1(6) . . . . ?
C21 P2 C2 B4 90.2(6) . . . . ?
O1 P1 C3 C4 83.4(7) . . . . ?
C9 P1 C3 C4 -154.2(7) . . . . ?
C1 P1 C3 C4 -44.2(7) . . . . ?
O1 P1 C3 C8 -90.4(8) . . . . ?
C9 P1 C3 C8 32.0(8) . . . . ?
C1 P1 C3 C8 142.1(7) . . . . ?
C8 C3 C4 C5 -2.1(13) . . . . ?
P1 C3 C4 C5 -176.0(7) . . . . ?
C3 C4 C5 C6 0.1(14) . . . . ?
C4 C5 C6 C7 0.7(15) . . . . ?
C5 C6 C7 C8 0.6(16) . . . . ?
C6 C7 C8 C3 -2.7(15) . . . . ?
C4 C3 C8 C7 3.5(14) . . . . ?
P1 C3 C8 C7 177.1(8) . . . . ?
O1 P1 C9 C14 -6.2(9) . . . . ?
C1 P1 C9 C14 120.9(8) . . . . ?
C3 P1 C9 C14 -127.9(7) . . . . ?
O1 P1 C9 C10 175.4(7) . . . . ?
C1 P1 C9 C10 -57.5(9) . . . . ?
C3 P1 C9 C10 53.7(8) . . . . ?
C14 C9 C10 C11 2.1(14) . . . . ?
P1 C9 C10 C11 -179.5(7) . . . . ?
C9 C10 C11 C12 -3.5(15) . . . . ?
C10 C11 C12 C13 2.1(14) . . . . ?
C11 C12 C13 C14 0.7(13) . . . . ?
C10 C9 C14 C13 0.8(14) . . . . ?
P1 C9 C14 C13 -177.7(7) . . . . ?
C12 C13 C14 C9 -2.1(13) . . . . ?
O2 P2 C15 C16 132.0(7) . . . . ?
C2 P2 C15 C16 -105.5(8) . . . . ?
C21 P2 C15 C16 10.0(9) . . . . ?
O2 P2 C15 C20 -48.7(7) . . . . ?
C2 P2 C15 C20 73.7(7) . . . . ?
C21 P2 C15 C20 -170.7(6) . . . . ?
C20 C15 C16 C17 2.0(12) . . . . ?
P2 C15 C16 C17 -178.7(7) . . . . ?
C15 C16 C17 C18 -2.0(14) . . . . ?
C16 C17 C18 C19 0.2(14) . . . . ?
C17 C18 C19 C20 1.7(14) . . . . ?
C18 C19 C20 C15 -1.6(14) . . . . ?
C16 C15 C20 C19 -0.2(13) . . . . ?
P2 C15 C20 C19 -179.6(7) . . . . ?
O2 P2 C21 C26 176.6(7) . . . . ?
C15 P2 C21 C26 -62.3(8) . . . . ?
C2 P2 C21 C26 50.7(8) . . . . ?
O2 P2 C21 C22 -4.7(8) . . . . ?
C15 P2 C21 C22 116.5(7) . . . . ?
C2 P2 C21 C22 -130.6(6) . . . . ?
C26 C21 C22 C23 1.2(13) . . . . ?
P2 C21 C22 C23 -177.6(7) . . . . ?
C21 C22 C23 C24 0.5(13) . . . . ?
C22 C23 C24 C25 -2.1(15) . . . . ?
C23 C24 C25 C26 2.0(15) . . . . ?
C24 C25 C26 C21 -0.2(14) . . . . ?
C22 C21 C26 C25 -1.4(13) . . . . ?
P2 C21 C26 C25 177.3(7) . . . . ?
B2 C1 B1 B7 -7.9(7) . . . . ?
P1 C1 B1 B7 -117.5(7) . . . . ?
B2 C1 B1 B10 -79.4(10) . . . . ?
P1 C1 B1 B10 171.0(7) . . . . ?
P1 C1 B1 B2 -109.6(7) . . . . ?
B2 C1 B1 B6 -108.8(6) . . . . ?
P1 C1 B1 B6 141.7(5) . . . . ?
B1 C1 B2 B8 78.6(10) . . . . ?
P1 C1 B2 B8 -174.5(8) . . . . ?
B1 C1 B2 B7 7.8(7) . . . . ?
P1 C1 B2 B7 114.7(7) . . . . ?
P1 C1 B2 B1 106.9(7) . . . . ?
B1 C1 B2 B3 109.4(6) . . . . ?
P1 C1 B2 B3 -143.7(6) . . . . ?
B7 B1 B2 C1 171.7(8) . . . . ?
B10 B1 B2 C1 132.4(8) . . . . ?
B6 B1 B2 C1 74.2(7) . . . . ?
C1 B1 B2 B8 -132.6(8) . . . . ?
B7 B1 B2 B8 39.2(7) . . . . ?
B10 B1 B2 B8 -0.2(9) . . . . ?
B6 B1 B2 B8 -58.3(8) . . . . ?
C1 B1 B2 B7 -171.7(8) . . . . ?
B10 B1 B2 B7 -39.4(7) . . . . ?
B6 B1 B2 B7 -97.5(7) . . . . ?
C1 B1 B2 B3 -74.6(7) . . . . ?
B7 B1 B2 B3 97.1(7) . . . . ?
B10 B1 B2 B3 57.7(8) . . . . ?
B6 B1 B2 B3 -0.4(8) . . . . ?
B6 C2 B3 B8 73.4(8) . . . . ?
B5 C2 B3 B8 1.4(9) . . . . ?
B4 C2 B3 B8 -37.5(6) . . . . ?
P2 C2 B3 B8 -146.8(6) . . . . ?
B6 C2 B3 B4 110.9(7) . . . . ?
B5 C2 B3 B4 38.9(7) . . . . ?
P2 C2 B3 B4 -109.3(6) . . . . ?
B6 C2 B3 B2 9.6(9) . . . . ?
B5 C2 B3 B2 -62.5(9) . . . . ?
B4 C2 B3 B2 -101.3(8) . . . . ?
P2 C2 B3 B2 149.3(6) . . . . ?
C1 B2 B3 C2 -58.5(8) . . . . ?
B8 B2 B3 C2 95.1(8) . . . . ?
B7 B2 B3 C2 55.5(8) . . . . ?
B1 B2 B3 C2 -5.5(9) . . . . ?
C1 B2 B3 B8 -153.5(7) . . . . ?
B7 B2 B3 B8 -39.6(6) . . . . ?
B1 B2 B3 B8 -100.5(7) . . . . ?
C1 B2 B3 B4 -122.3(6) . . . . ?
B8 B2 B3 B4 31.3(6) . . . . ?
B7 B2 B3 B4 -8.3(7) . . . . ?
B1 B2 B3 B4 -69.3(8) . . . . ?
B6 C2 B4 B8 -61.8(8) . . . . ?
B3 C2 B4 B8 36.3(6) . . . . ?
B5 C2 B4 B8 -103.9(7) . . . . ?
P2 C2 B4 B8 143.3(6) . . . . ?
B6 C2 B4 B9 0.5(9) . . . . ?
B3 C2 B4 B9 98.5(7) . . . . ?
B5 C2 B4 B9 -41.7(6) . . . . ?
P2 C2 B4 B9 -154.4(5) . . . . ?
B6 C2 B4 B5 42.1(7) . . . . ?
B3 C2 B4 B5 140.2(7) . . . . ?
P2 C2 B4 B5 -112.7(6) . . . . ?
B6 C2 B4 B3 -98.0(7) . . . . ?
B5 C2 B4 B3 -140.2(7) . . . . ?
P2 C2 B4 B3 107.1(7) . . . . ?
B8 B3 B4 C2 136.8(7) . . . . ?
B2 B3 B4 C2 105.1(7) . . . . ?
C2 B3 B4 B8 -136.8(7) . . . . ?
B2 B3 B4 B8 -31.7(6) . . . . ?
C2 B3 B4 B9 -96.9(7) . . . . ?
B8 B3 B4 B9 39.9(6) . . . . ?
B2 B3 B4 B9 8.2(8) . . . . ?
C2 B3 B4 B5 -34.5(6) . . . . ?
B8 B3 B4 B5 102.4(7) . . . . ?
B2 B3 B4 B5 70.6(8) . . . . ?
B6 C2 B5 B4 -138.8(7) . . . . ?
B3 C2 B5 B4 -40.1(7) . . . . ?
P2 C2 B5 B4 106.1(7) . . . . ?
B6 C2 B5 B9 -97.5(7) . . . . ?
B3 C2 B5 B9 1.2(9) . . . . ?
B4 C2 B5 B9 41.4(7) . . . . ?
P2 C2 B5 B9 147.5(6) . . . . ?
B6 C2 B5 B10 -35.2(6) . . . . ?
B3 C2 B5 B10 63.5(8) . . . . ?
B4 C2 B5 B10 103.7(7) . . . . ?
P2 C2 B5 B10 -150.2(5) . . . . ?
B3 C2 B5 B6 98.7(7) . . . . ?
B4 C2 B5 B6 138.8(7) . . . . ?
P2 C2 B5 B6 -115.1(6) . . . . ?
B8 B4 B5 C2 93.5(7) . . . . ?
B9 B4 B5 C2 131.9(7) . . . . ?
B3 B4 B5 C2 33.2(6) . . . . ?
C2 B4 B5 B9 -131.9(7) . . . . ?
B8 B4 B5 B9 -38.4(7) . . . . ?
B3 B4 B5 B9 -98.7(8) . . . . ?
C2 B4 B5 B10 -93.3(7) . . . . ?
B8 B4 B5 B10 0.2(9) . . . . ?
B9 B4 B5 B10 38.7(7) . . . . ?
B3 B4 B5 B10 -60.1(9) . . . . ?
C2 B4 B5 B6 -33.5(6) . . . . ?
B8 B4 B5 B6 60.0(8) . . . . ?
B9 B4 B5 B6 98.5(8) . . . . ?
B3 B4 B5 B6 -0.3(8) . . . . ?
B3 C2 B6 B10 -74.0(8) . . . . ?
B5 C2 B6 B10 36.7(6) . . . . ?
B4 C2 B6 B10 -3.5(8) . . . . ?
P2 C2 B6 B10 149.8(5) . . . . ?
B3 C2 B6 B5 -110.8(7) . . . . ?
B4 C2 B6 B5 -40.3(6) . . . . ?
P2 C2 B6 B5 113.0(7) . . . . ?
B3 C2 B6 B1 -9.9(9) . . . . ?
B5 C2 B6 B1 100.9(8) . . . . ?
B4 C2 B6 B1 60.6(9) . . . . ?
P2 C2 B6 B1 -146.1(6) . . . . ?
B4 B5 B6 C2 35.3(6) . . . . ?
B9 B5 B6 C2 96.9(7) . . . . ?
B10 B5 B6 C2 138.1(7) . . . . ?
C2 B5 B6 B10 -138.1(7) . . . . ?
B4 B5 B6 B10 -102.7(7) . . . . ?
B9 B5 B6 B10 -41.1(6) . . . . ?
C2 B5 B6 B1 -105.9(7) . . . . ?
B4 B5 B6 B1 -70.5(8) . . . . ?
B9 B5 B6 B1 -8.9(8) . . . . ?
B10 B5 B6 B1 32.2(6) . . . . ?
C1 B1 B6 C2 59.3(8) . . . . ?
B7 B1 B6 C2 -55.2(9) . . . . ?
B10 B1 B6 C2 -95.5(8) . . . . ?
B2 B1 B6 C2 6.3(9) . . . . ?
C1 B1 B6 B10 154.8(7) . . . . ?
B7 B1 B6 B10 40.3(6) . . . . ?
B2 B1 B6 B10 101.9(7) . . . . ?
C1 B1 B6 B5 123.0(7) . . . . ?
B7 B1 B6 B5 8.4(8) . . . . ?
B10 B1 B6 B5 -31.9(6) . . . . ?
B2 B1 B6 B5 70.0(8) . . . . ?
C1 B1 B7 B9 -93.8(8) . . . . ?
B10 B1 B7 B9 33.9(7) . . . . ?
B2 B1 B7 B9 -101.4(8) . . . . ?
B6 B1 B7 B9 -4.6(9) . . . . ?
C1 B1 B7 B8 -31.5(9) . . . . ?
B10 B1 B7 B8 96.2(7) . . . . ?
B2 B1 B7 B8 -39.0(6) . . . . ?
B6 B1 B7 B8 57.7(7) . . . . ?
C1 B1 B7 B10 -127.7(8) . . . . ?
B2 B1 B7 B10 -135.2(7) . . . . ?
B6 B1 B7 B10 -38.5(6) . . . . ?
C1 B1 B7 B2 7.5(7) . . . . ?
B10 B1 B7 B2 135.2(7) . . . . ?
B6 B1 B7 B2 96.7(7) . . . . ?
C1 B2 B7 B9 95.4(9) . . . . ?
B8 B2 B7 B9 -32.4(6) . . . . ?
B1 B2 B7 B9 102.9(7) . . . . ?
B3 B2 B7 B9 5.2(8) . . . . ?
C1 B2 B7 B8 127.9(8) . . . . ?
B1 B2 B7 B8 135.3(7) . . . . ?
B3 B2 B7 B8 37.7(5) . . . . ?
C1 B2 B7 B10 32.2(10) . . . . ?
B8 B2 B7 B10 -95.7(7) . . . . ?
B1 B2 B7 B10 39.6(6) . . . . ?
B3 B2 B7 B10 -58.0(8) . . . . ?
C1 B2 B7 B1 -7.5(7) . . . . ?
B8 B2 B7 B1 -135.3(7) . . . . ?
B3 B2 B7 B1 -97.7(6) . . . . ?
C2 B3 B8 B4 37.3(6) . . . . ?
B2 B3 B8 B4 145.6(6) . . . . ?
C2 B3 B8 B9 -3.4(9) . . . . ?
B4 B3 B8 B9 -40.7(7) . . . . ?
B2 B3 B8 B9 104.9(7) . . . . ?
C2 B3 B8 B2 -108.3(7) . . . . ?
B4 B3 B8 B2 -145.6(6) . . . . ?
C2 B3 B8 B7 -66.6(8) . . . . ?
B4 B3 B8 B7 -103.9(7) . . . . ?
B2 B3 B8 B7 41.7(6) . . . . ?
C2 B4 B8 B3 -35.4(6) . . . . ?
B9 B4 B8 B3 -134.5(7) . . . . ?
B5 B4 B8 B3 -96.2(7) . . . . ?
C2 B4 B8 B9 99.1(7) . . . . ?
B5 B4 B8 B9 38.3(7) . . . . ?
B3 B4 B8 B9 134.5(7) . . . . ?
C2 B4 B8 B2 -0.6(9) . . . . ?
B9 B4 B8 B2 -99.7(8) . . . . ?
B5 B4 B8 B2 -61.4(9) . . . . ?
B3 B4 B8 B2 34.8(7) . . . . ?
C2 B4 B8 B7 66.4(8) . . . . ?
B9 B4 B8 B7 -32.7(7) . . . . ?
B5 B4 B8 B7 5.6(9) . . . . ?
B3 B4 B8 B7 101.8(7) . . . . ?
C1 B2 B8 B3 37.9(10) . . . . ?
B7 B2 B8 B3 134.0(6) . . . . ?
B1 B2 B8 B3 95.1(7) . . . . ?
C1 B2 B8 B4 3.2(14) . . . . ?
B7 B2 B8 B4 99.4(8) . . . . ?
B1 B2 B8 B4 60.5(9) . . . . ?
B3 B2 B8 B4 -34.6(7) . . . . ?
C1 B2 B8 B9 -63.1(12) . . . . ?
B7 B2 B8 B9 33.0(7) . . . . ?
B1 B2 B8 B9 -5.9(9) . . . . ?
B3 B2 B8 B9 -101.0(7) . . . . ?
C1 B2 B8 B7 -96.1(10) . . . . ?
B1 B2 B8 B7 -38.9(6) . . . . ?
B3 B2 B8 B7 -134.0(6) . . . . ?
B9 B7 B8 B3 100.8(7) . . . . ?
B10 B7 B8 B3 59.0(8) . . . . ?
B1 B7 B8 B3 -3.3(8) . . . . ?
B2 B7 B8 B3 -43.0(6) . . . . ?
B9 B7 B8 B4 33.0(7) . . . . ?
B10 B7 B8 B4 -8.8(9) . . . . ?
B1 B7 B8 B4 -71.1(8) . . . . ?
B2 B7 B8 B4 -110.8(7) . . . . ?
B10 B7 B8 B9 -41.8(7) . . . . ?
B1 B7 B8 B9 -104.1(7) . . . . ?
B2 B7 B8 B9 -143.8(7) . . . . ?
B9 B7 B8 B2 143.8(7) . . . . ?
B10 B7 B8 B2 102.0(7) . . . . ?
B1 B7 B8 B2 39.7(6) . . . . ?
C2 B4 B9 B8 -96.3(7) . . . . ?
B5 B4 B9 B8 -137.2(7) . . . . ?
B3 B4 B9 B8 -38.5(6) . . . . ?
C2 B4 B9 B5 40.9(6) . . . . ?
B8 B4 B9 B5 137.2(7) . . . . ?
B3 B4 B9 B5 98.7(7) . . . . ?
C2 B4 B9 B7 -62.5(8) . . . . ?
B8 B4 B9 B7 33.8(6) . . . . ?
B5 B4 B9 B7 -103.4(8) . . . . ?
B3 B4 B9 B7 -4.7(8) . . . . ?
C2 B4 B9 B10 2.7(8) . . . . ?
B8 B4 B9 B10 99.0(8) . . . . ?
B5 B4 B9 B10 -38.2(6) . . . . ?
B3 B4 B9 B10 60.5(8) . . . . ?
B3 B8 B9 B4 42.2(6) . . . . ?
B2 B8 B9 B4 110.4(8) . . . . ?
B7 B8 B9 B4 144.0(7) . . . . ?
B3 B8 B9 B5 4.3(10) . . . . ?
B4 B8 B9 B5 -38.0(6) . . . . ?
B2 B8 B9 B5 72.4(9) . . . . ?
B7 B8 B9 B5 106.0(8) . . . . ?
B3 B8 B9 B7 -101.8(7) . . . . ?
B4 B8 B9 B7 -144.0(7) . . . . ?
B2 B8 B9 B7 -33.6(7) . . . . ?
B3 B8 B9 B10 -58.5(9) . . . . ?
B4 B8 B9 B10 -100.8(7) . . . . ?
B2 B8 B9 B10 9.7(9) . . . . ?
B7 B8 B9 B10 43.2(7) . . . . ?
C2 B5 B9 B4 -40.9(6) . . . . ?
B10 B5 B9 B4 -136.9(7) . . . . ?
B6 B5 B9 B4 -97.3(7) . . . . ?
C2 B5 B9 B8 -3.3(9) . . . . ?
B4 B5 B9 B8 37.6(6) . . . . ?
B10 B5 B9 B8 -99.3(8) . . . . ?
B6 B5 B9 B8 -59.7(8) . . . . ?
C2 B5 B9 B7 62.3(9) . . . . ?
B4 B5 B9 B7 103.2(8) . . . . ?
B10 B5 B9 B7 -33.7(7) . . . . ?
B6 B5 B9 B7 5.9(9) . . . . ?
C2 B5 B9 B10 96.0(7) . . . . ?
B4 B5 B9 B10 136.9(7) . . . . ?
B6 B5 B9 B10 39.6(6) . . . . ?
B8 B7 B9 B4 -33.0(6) . . . . ?
B10 B7 B9 B4 98.4(8) . . . . ?
B1 B7 B9 B4 64.5(9) . . . . ?
B2 B7 B9 B4 -0.4(9) . . . . ?
B10 B7 B9 B8 131.4(7) . . . . ?
B1 B7 B9 B8 97.4(8) . . . . ?
B2 B7 B9 B8 32.5(6) . . . . ?
B8 B7 B9 B5 -98.2(8) . . . . ?
B10 B7 B9 B5 33.2(7) . . . . ?
B1 B7 B9 B5 -0.7(10) . . . . ?
B2 B7 B9 B5 -65.6(8) . . . . ?
B8 B7 B9 B10 -131.4(7) . . . . ?
B1 B7 B9 B10 -34.0(7) . . . . ?
B2 B7 B9 B10 -98.9(7) . . . . ?
C2 B6 B10 B5 -36.3(6) . . . . ?
B1 B6 B10 B5 -145.1(6) . . . . ?
C2 B6 B10 B9 5.0(8) . . . . ?
B5 B6 B10 B9 41.3(6) . . . . ?
B1 B6 B10 B9 -103.7(7) . . . . ?
C2 B6 B10 B7 67.1(8) . . . . ?
B5 B6 B10 B7 103.4(7) . . . . ?
B1 B6 B10 B7 -41.7(6) . . . . ?
C2 B6 B10 B1 108.7(6) . . . . ?
B5 B6 B10 B1 145.1(6) . . . . ?
C2 B5 B10 B6 33.8(5) . . . . ?
B4 B5 B10 B6 94.6(7) . . . . ?
B9 B5 B10 B6 132.9(7) . . . . ?
C2 B5 B10 B9 -99.0(7) . . . . ?
B4 B5 B10 B9 -38.2(7) . . . . ?
B6 B5 B10 B9 -132.9(7) . . . . ?
C2 B5 B10 B7 -66.7(8) . . . . ?
B4 B5 B10 B7 -5.9(9) . . . . ?
B9 B5 B10 B7 32.3(7) . . . . ?
B6 B5 B10 B7 -100.5(7) . . . . ?
C2 B5 B10 B1 -1.1(9) . . . . ?
B4 B5 B10 B1 59.6(9) . . . . ?
B9 B5 B10 B1 97.9(8) . . . . ?
B6 B5 B10 B1 -35.0(6) . . . . ?
B4 B9 B10 B6 -4.8(9) . . . . ?
B8 B9 B10 B6 57.4(8) . . . . ?
B5 B9 B10 B6 -43.1(6) . . . . ?
B7 B9 B10 B6 100.9(7) . . . . ?
B4 B9 B10 B5 38.3(6) . . . . ?
B8 B9 B10 B5 100.5(8) . . . . ?
B7 B9 B10 B5 144.0(8) . . . . ?
B4 B9 B10 B7 -105.7(8) . . . . ?
B8 B9 B10 B7 -43.4(7) . . . . ?
B5 B9 B10 B7 -144.0(8) . . . . ?
B4 B9 B10 B1 -71.9(9) . . . . ?
B8 B9 B10 B1 -9.6(9) . . . . ?
B5 B9 B10 B1 -110.2(8) . . . . ?
B7 B9 B10 B1 33.8(7) . . . . ?
B9 B7 B10 B6 -99.5(8) . . . . ?
B8 B7 B10 B6 -58.1(8) . . . . ?
B1 B7 B10 B6 43.3(7) . . . . ?
B2 B7 B10 B6 3.4(9) . . . . ?
B9 B7 B10 B5 -32.5(7) . . . . ?
B8 B7 B10 B5 8.8(9) . . . . ?
B1 B7 B10 B5 110.2(8) . . . . ?
B2 B7 B10 B5 70.3(9) . . . . ?
B8 B7 B10 B9 41.4(7) . . . . ?
B1 B7 B10 B9 142.8(8) . . . . ?
B2 B7 B10 B9 102.9(8) . . . . ?
B9 B7 B10 B1 -142.8(8) . . . . ?
B8 B7 B10 B1 -101.4(7) . . . . ?
B2 B7 B10 B1 -39.9(7) . . . . ?
C1 B1 B10 B6 -35.9(9) . . . . ?
B7 B1 B10 B6 -133.1(7) . . . . ?
B2 B1 B10 B6 -93.6(7) . . . . ?
C1 B1 B10 B5 -1.0(13) . . . . ?
B7 B1 B10 B5 -98.2(8) . . . . ?
B2 B1 B10 B5 -58.7(9) . . . . ?
B6 B1 B10 B5 34.9(6) . . . . ?
C1 B1 B10 B9 63.8(11) . . . . ?
B7 B1 B10 B9 -33.4(7) . . . . ?
B2 B1 B10 B9 6.1(9) . . . . ?
B6 B1 B10 B9 99.7(8) . . . . ?
C1 B1 B10 B7 97.2(10) . . . . ?
B2 B1 B10 B7 39.5(7) . . . . ?
B6 B1 B10 B7 133.1(7) . . . . ?
O3 P3 C31 B11 26.3(7) . . . . ?
C33 P3 C31 B11 150.4(6) . . . . ?
C39 P3 C31 B11 -99.4(6) . . . . ?
O3 P3 C31 B12 -48.6(6) . . . . ?
C33 P3 C31 B12 75.5(6) . . . . ?
C39 P3 C31 B12 -174.3(5) . . . . ?
O4 P4 C32 B13 -172.7(6) . . . . ?
C51 P4 C32 B13 -51.6(7) . . . . ?
C45 P4 C32 B13 63.7(7) . . . . ?
O4 P4 C32 B16 -41.5(7) . . . . ?
C51 P4 C32 B16 79.6(6) . . . . ?
C45 P4 C32 B16 -165.1(6) . . . . ?
O4 P4 C32 B15 31.9(7) . . . . ?
C51 P4 C32 B15 153.0(6) . . . . ?
C45 P4 C32 B15 -91.7(6) . . . . ?
O4 P4 C32 B14 104.7(6) . . . . ?
C51 P4 C32 B14 -134.2(6) . . . . ?
C45 P4 C32 B14 -18.9(7) . . . . ?
O3 P3 C33 C38 -0.8(8) . . . . ?
C39 P3 C33 C38 121.9(7) . . . . ?
C31 P3 C33 C38 -127.6(7) . . . . ?
O3 P3 C33 C34 178.8(7) . . . . ?
C39 P3 C33 C34 -58.6(8) . . . . ?
C31 P3 C33 C34 51.9(8) . . . . ?
C38 C33 C34 C35 0.9(13) . . . . ?
P3 C33 C34 C35 -178.6(7) . . . . ?
C33 C34 C35 C36 -0.4(14) . . . . ?
C34 C35 C36 C37 0.1(15) . . . . ?
C35 C36 C37 C38 -0.4(15) . . . . ?
C36 C37 C38 C33 0.9(15) . . . . ?
C34 C33 C38 C37 -1.2(13) . . . . ?
P3 C33 C38 C37 178.4(7) . . . . ?
O3 P3 C39 C40 87.8(8) . . . . ?
C33 P3 C39 C40 -34.2(8) . . . . ?
C31 P3 C39 C40 -144.3(7) . . . . ?
O3 P3 C39 C44 -87.1(7) . . . . ?
C33 P3 C39 C44 150.9(7) . . . . ?
C31 P3 C39 C44 40.7(8) . . . . ?
C44 C39 C40 C41 1.7(13) . . . . ?
P3 C39 C40 C41 -173.3(7) . . . . ?
C39 C40 C41 C42 -0.2(14) . . . . ?
C40 C41 C42 C43 -0.9(14) . . . . ?
C41 C42 C43 C44 0.4(14) . . . . ?
C42 C43 C44 C39 1.2(14) . . . . ?
C40 C39 C44 C43 -2.2(12) . . . . ?
P3 C39 C44 C43 172.9(7) . . . . ?
O4 P4 C45 C50 -167.5(8) . . . . ?
C51 P4 C45 C50 72.7(9) . . . . ?
C32 P4 C45 C50 -43.4(9) . . . . ?
O4 P4 C45 C46 12.2(8) . . . . ?
C51 P4 C45 C46 -107.6(7) . . . . ?
C32 P4 C45 C46 136.3(7) . . . . ?
C50 C45 C46 C47 1.6(14) . . . . ?
P4 C45 C46 C47 -178.1(7) . . . . ?
C45 C46 C47 C48 -0.9(15) . . . . ?
C46 C47 C48 C49 -1.2(16) . . . . ?
C47 C48 C49 C50 2.4(15) . . . . ?
C46 C45 C50 C49 -0.3(14) . . . . ?
P4 C45 C50 C49 179.3(7) . . . . ?
C48 C49 C50 C45 -1.6(15) . . . . ?
O4 P4 C51 C52 51.2(7) . . . . ?
C32 P4 C51 C52 -70.9(7) . . . . ?
C45 P4 C51 C52 171.4(6) . . . . ?
O4 P4 C51 C56 -123.4(7) . . . . ?
C32 P4 C51 C56 114.5(7) . . . . ?
C45 P4 C51 C56 -3.2(8) . . . . ?
C56 C51 C52 C53 -1.3(12) . . . . ?
P4 C51 C52 C53 -176.1(7) . . . . ?
C51 C52 C53 C54 1.9(14) . . . . ?
C52 C53 C54 C55 0.1(15) . . . . ?
C53 C54 C55 C56 -2.6(15) . . . . ?
C52 C51 C56 C55 -1.2(12) . . . . ?
P4 C51 C56 C55 173.4(7) . . . . ?
C54 C55 C56 C51 3.2(14) . . . . ?
B12 C31 B11 B17 -10.4(7) . . . . ?
P3 C31 B11 B17 -114.2(7) . . . . ?
B12 C31 B11 B20 -80.3(10) . . . . ?
P3 C31 B11 B20 175.9(7) . . . . ?
P3 C31 B11 B12 -103.8(7) . . . . ?
B12 C31 B11 B16 -109.2(6) . . . . ?
P3 C31 B11 B16 147.0(6) . . . . ?
B11 C31 B12 B17 10.6(7) . . . . ?
P3 C31 B12 B17 119.7(7) . . . . ?
B11 C31 B12 B18 83.5(10) . . . . ?
P3 C31 B12 B18 -167.4(7) . . . . ?
P3 C31 B12 B11 109.1(6) . . . . ?
B11 C31 B12 B13 111.4(6) . . . . ?
P3 C31 B12 B13 -139.6(5) . . . . ?
B17 B11 B12 C31 168.7(7) . . . . ?
B20 B11 B12 C31 129.2(7) . . . . ?
B16 B11 B12 C31 73.0(7) . . . . ?
C31 B11 B12 B17 -168.7(7) . . . . ?
B20 B11 B12 B17 -39.5(6) . . . . ?
B16 B11 B12 B17 -95.7(7) . . . . ?
C31 B11 B12 B18 -130.3(8) . . . . ?
B17 B11 B12 B18 38.4(7) . . . . ?
B20 B11 B12 B18 -1.1(9) . . . . ?
B16 B11 B12 B18 -57.3(8) . . . . ?
C31 B11 B12 B13 -70.5(7) . . . . ?
B17 B11 B12 B13 98.2(7) . . . . ?
B20 B11 B12 B13 58.7(8) . . . . ?
B16 B11 B12 B13 2.5(8) . . . . ?
B16 C32 B13 B18 74.6(8) . . . . ?
B15 C32 B13 B18 4.6(9) . . . . ?
B14 C32 B13 B18 -35.5(6) . . . . ?
P4 C32 B13 B18 -151.1(6) . . . . ?
B16 C32 B13 B14 110.1(7) . . . . ?
B15 C32 B13 B14 40.2(6) . . . . ?
P4 C32 B13 B14 -115.5(7) . . . . ?
B16 C32 B13 B12 11.8(10) . . . . ?
B15 C32 B13 B12 -58.1(9) . . . . ?
B14 C32 B13 B12 -98.3(8) . . . . ?
P4 C32 B13 B12 146.2(6) . . . . ?
C31 B12 B13 C32 -60.9(8) . . . . ?
B17 B12 B13 C32 51.8(9) . . . . ?
B18 B12 B13 C32 95.4(8) . . . . ?
B11 B12 B13 C32 -9.0(10) . . . . ?
C31 B12 B13 B18 -156.3(7) . . . . ?
B17 B12 B13 B18 -43.6(6) . . . . ?
B11 B12 B13 B18 -104.4(7) . . . . ?
C31 B12 B13 B14 -124.0(6) . . . . ?
B17 B12 B13 B14 -11.3(8) . . . . ?
B18 B12 B13 B14 32.3(6) . . . . ?
B11 B12 B13 B14 -72.1(8) . . . . ?
B13 C32 B14 B15 138.7(7) . . . . ?
B16 C32 B14 B15 41.1(6) . . . . ?
P4 C32 B14 B15 -105.0(7) . . . . ?
B13 C32 B14 B19 96.9(7) . . . . ?
B16 C32 B14 B19 -0.7(8) . . . . ?
B15 C32 B14 B19 -41.8(6) . . . . ?
P4 C32 B14 B19 -146.9(6) . . . . ?
B13 C32 B14 B18 33.9(6) . . . . ?
B16 C32 B14 B18 -63.7(8) . . . . ?
B15 C32 B14 B18 -104.8(6) . . . . ?
P4 C32 B14 B18 150.2(5) . . . . ?
B16 C32 B14 B13 -97.6(7) . . . . ?
B15 C32 B14 B13 -138.7(7) . . . . ?
P4 C32 B14 B13 116.3(7) . . . . ?
B18 B13 B14 C32 139.9(7) . . . . ?
B12 B13 B14 C32 108.1(7) . . . . ?
C32 B13 B14 B15 -35.3(6) . . . . ?
B18 B13 B14 B15 104.7(7) . . . . ?
B12 B13 B14 B15 72.8(8) . . . . ?
C32 B13 B14 B19 -98.4(7) . . . . ?
B18 B13 B14 B19 41.6(6) . . . . ?
B12 B13 B14 B19 9.7(8) . . . . ?
C32 B13 B14 B18 -139.9(7) . . . . ?
B12 B13 B14 B18 -31.9(6) . . . . ?
B13 C32 B15 B14 -42.1(7) . . . . ?
B16 C32 B15 B14 -138.8(7) . . . . ?
P4 C32 B15 B14 115.5(6) . . . . ?
B13 C32 B15 B20 61.5(8) . . . . ?
B16 C32 B15 B20 -35.2(6) . . . . ?
B14 C32 B15 B20 103.6(7) . . . . ?
P4 C32 B15 B20 -141.0(6) . . . . ?
B13 C32 B15 B19 -0.8(9) . . . . ?
B16 C32 B15 B19 -97.5(7) . . . . ?
B14 C32 B15 B19 41.3(6) . . . . ?
P4 C32 B15 B19 156.8(5) . . . . ?
B13 C32 B15 B16 96.7(7) . . . . ?
B14 C32 B15 B16 138.8(7) . . . . ?
P4 C32 B15 B16 -105.7(7) . . . . ?
B19 B14 B15 C32 132.5(7) . . . . ?
B18 B14 B15 C32 93.8(7) . . . . ?
B13 B14 B15 C32 33.8(6) . . . . ?
C32 B14 B15 B20 -94.1(7) . . . . ?
B19 B14 B15 B20 38.4(7) . . . . ?
B18 B14 B15 B20 -0.3(9) . . . . ?
B13 B14 B15 B20 -60.3(8) . . . . ?
C32 B14 B15 B19 -132.5(7) . . . . ?
B18 B14 B15 B19 -38.8(7) . . . . ?
B13 B14 B15 B19 -98.8(7) . . . . ?
C32 B14 B15 B16 -34.5(6) . . . . ?
B19 B14 B15 B16 98.1(7) . . . . ?
B18 B14 B15 B16 59.3(8) . . . . ?
B13 B14 B15 B16 -0.7(8) . . . . ?
B13 C32 B16 B20 -73.5(8) . . . . ?
B15 C32 B16 B20 37.5(6) . . . . ?
B14 C32 B16 B20 -2.2(8) . . . . ?
P4 C32 B16 B20 147.1(6) . . . . ?
B13 C32 B16 B15 -111.0(8) . . . . ?
B14 C32 B16 B15 -39.8(6) . . . . ?
P4 C32 B16 B15 109.6(6) . . . . ?
B13 C32 B16 B11 -9.8(10) . . . . ?
B15 C32 B16 B11 101.2(8) . . . . ?
B14 C32 B16 B11 61.4(9) . . . . ?
P4 C32 B16 B11 -149.2(6) . . . . ?
B14 B15 B16 C32 35.8(6) . . . . ?
B20 B15 B16 C32 137.8(7) . . . . ?
B19 B15 B16 C32 98.1(7) . . . . ?
C32 B15 B16 B20 -137.8(7) . . . . ?
B14 B15 B16 B20 -102.0(7) . . . . ?
B19 B15 B16 B20 -39.7(6) . . . . ?
C32 B15 B16 B11 -105.7(7) . . . . ?
B14 B15 B16 B11 -69.9(8) . . . . ?
B20 B15 B16 B11 32.1(6) . . . . ?
B19 B15 B16 B11 -7.6(8) . . . . ?
C31 B12 B17 B19 95.1(8) . . . . ?
B18 B12 B17 B19 -32.8(7) . . . . ?
B11 B12 B17 B19 105.3(7) . . . . ?
B13 B12 B17 B19 8.7(9) . . . . ?
C31 B12 B17 B11 -10.2(7) . . . . ?
B18 B12 B17 B11 -138.1(7) . . . . ?
B13 B12 B17 B11 -96.6(7) . . . . ?
C31 B12 B17 B20 30.3(9) . . . . ?
B18 B12 B17 B20 -97.6(7) . . . . ?
B11 B12 B17 B20 40.4(6) . . . . ?
B13 B12 B17 B20 -56.2(8) . . . . ?
C31 B12 B17 B18 127.9(9) . . . . ?
B11 B12 B17 B18 138.1(7) . . . . ?
B13 B12 B17 B18 41.4(6) . . . . ?
C31 B11 B17 B19 -93.2(8) . . . . ?
B20 B11 B17 B19 31.7(6) . . . . ?
B12 B11 B17 B19 -103.3(8) . . . . ?
B16 B11 B17 B19 -6.5(8) . . . . ?
C31 B11 B17 B12 10.2(7) . . . . ?
B20 B11 B17 B12 135.0(7) . . . . ?
B16 B11 B17 B12 96.9(6) . . . . ?
C31 B11 B17 B20 -124.8(8) . . . . ?
B12 B11 B17 B20 -135.0(7) . . . . ?
B16 B11 B17 B20 -38.1(5) . . . . ?
C31 B11 B17 B18 -27.3(9) . . . . ?
B20 B11 B17 B18 97.5(7) . . . . ?
B12 B11 B17 B18 -37.5(6) . . . . ?
B16 B11 B17 B18 59.4(7) . . . . ?
C32 B13 B18 B12 -109.5(7) . . . . ?
B14 B13 B18 B12 -144.3(6) . . . . ?
C32 B13 B18 B14 34.9(6) . . . . ?
B12 B13 B18 B14 144.3(6) . . . . ?
C32 B13 B18 B19 -6.4(8) . . . . ?
B14 B13 B18 B19 -41.2(6) . . . . ?
B12 B13 B18 B19 103.1(7) . . . . ?
C32 B13 B18 B17 -66.7(7) . . . . ?
B14 B13 B18 B17 -101.6(6) . . . . ?
B12 B13 B18 B17 42.8(6) . . . . ?
C31 B12 B18 B13 33.1(9) . . . . ?
B17 B12 B18 B13 130.4(7) . . . . ?
B11 B12 B18 B13 93.1(7) . . . . ?
C31 B12 B18 B14 -2.2(12) . . . . ?
B17 B12 B18 B14 95.1(7) . . . . ?
B11 B12 B18 B14 57.8(9) . . . . ?
B13 B12 B18 B14 -35.3(6) . . . . ?
C31 B12 B18 B19 -66.3(11) . . . . ?
B17 B12 B18 B19 30.9(6) . . . . ?
B11 B12 B18 B19 -6.3(9) . . . . ?
B13 B12 B18 B19 -99.4(7) . . . . ?
C31 B12 B18 B17 -97.2(10) . . . . ?
B11 B12 B18 B17 -37.3(6) . . . . ?
B13 B12 B18 B17 -130.4(7) . . . . ?
C32 B14 B18 B13 -32.8(5) . . . . ?
B15 B14 B18 B13 -93.7(7) . . . . ?
B19 B14 B18 B13 -132.5(7) . . . . ?
C32 B14 B18 B12 2.8(9) . . . . ?
B15 B14 B18 B12 -58.0(9) . . . . ?
B19 B14 B18 B12 -96.9(7) . . . . ?
B13 B14 B18 B12 35.7(6) . . . . ?
C32 B14 B18 B19 99.7(7) . . . . ?
B15 B14 B18 B19 38.9(7) . . . . ?
B13 B14 B18 B19 132.5(7) . . . . ?
C32 B14 B18 B17 66.3(8) . . . . ?
B15 B14 B18 B17 5.5(9) . . . . ?
B19 B14 B18 B17 -33.4(7) . . . . ?
B13 B14 B18 B17 99.1(7) . . . . ?
B19 B17 B18 B13 99.6(7) . . . . ?
B12 B17 B18 B13 -45.2(6) . . . . ?
B11 B17 B18 B13 -6.1(8) . . . . ?
B20 B17 B18 B13 57.4(8) . . . . ?
B19 B17 B18 B12 144.8(8) . . . . ?
B11 B17 B18 B12 39.1(7) . . . . ?
B20 B17 B18 B12 102.6(7) . . . . ?
B19 B17 B18 B14 34.0(7) . . . . ?
B12 B17 B18 B14 -110.9(8) . . . . ?
B11 B17 B18 B14 -71.8(8) . . . . ?
B20 B17 B18 B14 -8.2(9) . . . . ?
B12 B17 B18 B19 -144.8(8) . . . . ?
B11 B17 B18 B19 -105.8(7) . . . . ?
B20 B17 B18 B19 -42.2(7) . . . . ?
B12 B17 B19 B14 -2.9(9) . . . . ?
B11 B17 B19 B14 65.4(9) . . . . ?
B20 B17 B19 B14 97.0(8) . . . . ?
B18 B17 B19 B14 -35.0(7) . . . . ?
B12 B17 B19 B20 -99.9(8) . . . . ?
B11 B17 B19 B20 -31.6(6) . . . . ?
B18 B17 B19 B20 -132.0(7) . . . . ?
B12 B17 B19 B15 -66.1(8) . . . . ?
B11 B17 B19 B15 2.3(9) . . . . ?
B20 B17 B19 B15 33.9(6) . . . . ?
B18 B17 B19 B15 -98.2(7) . . . . ?
B12 B17 B19 B18 32.1(7) . . . . ?
B11 B17 B19 B18 100.4(8) . . . . ?
B20 B17 B19 B18 132.0(7) . . . . ?
C32 B14 B19 B17 -61.3(8) . . . . ?
B15 B14 B19 B17 -101.9(8) . . . . ?
B18 B14 B19 B17 35.6(7) . . . . ?
B13 B14 B19 B17 -4.3(9) . . . . ?
C32 B14 B19 B20 3.2(8) . . . . ?
B15 B14 B19 B20 -37.3(6) . . . . ?
B18 B14 B19 B20 100.2(7) . . . . ?
B13 B14 B19 B20 60.3(8) . . . . ?
C32 B14 B19 B15 40.5(6) . . . . ?
B18 B14 B19 B15 137.5(7) . . . . ?
B13 B14 B19 B15 97.6(7) . . . . ?
C32 B14 B19 B18 -96.9(7) . . . . ?
B15 B14 B19 B18 -137.5(7) . . . . ?
B13 B14 B19 B18 -39.9(6) . . . . ?
C32 B15 B19 B17 61.5(8) . . . . ?
B14 B15 B19 B17 102.4(7) . . . . ?
B20 B15 B19 B17 -34.7(6) . . . . ?
B16 B15 B19 B17 3.4(8) . . . . ?
C32 B15 B19 B14 -40.9(6) . . . . ?
B20 B15 B19 B14 -137.1(7) . . . . ?
B16 B15 B19 B14 -99.0(7) . . . . ?
C32 B15 B19 B20 96.3(7) . . . . ?
B14 B15 B19 B20 137.1(7) . . . . ?
B16 B15 B19 B20 38.1(6) . . . . ?
C32 B15 B19 B18 -3.3(8) . . . . ?
B14 B15 B19 B18 37.6(6) . . . . ?
B20 B15 B19 B18 -99.6(7) . . . . ?
B16 B15 B19 B18 -61.4(7) . . . . ?
B13 B18 B19 B17 -98.6(7) . . . . ?
B12 B18 B19 B17 -31.4(7) . . . . ?
B14 B18 B19 B17 -141.6(8) . . . . ?
B13 B18 B19 B14 43.0(6) . . . . ?
B12 B18 B19 B14 110.1(8) . . . . ?
B17 B18 B19 B14 141.6(8) . . . . ?
B13 B18 B19 B20 -55.8(8) . . . . ?
B12 B18 B19 B20 11.3(9) . . . . ?
B14 B18 B19 B20 -98.8(7) . . . . ?
B17 B18 B19 B20 42.7(6) . . . . ?
B13 B18 B19 B15 5.9(8) . . . . ?
B12 B18 B19 B15 73.1(8) . . . . ?
B14 B18 B19 B15 -37.1(6) . . . . ?
B17 B18 B19 B15 104.5(8) . . . . ?
C32 B16 B20 B15 -36.6(6) . . . . ?
B11 B16 B20 B15 -145.0(6) . . . . ?
C32 B16 B20 B19 4.3(8) . . . . ?
B15 B16 B20 B19 40.9(6) . . . . ?
B11 B16 B20 B19 -104.1(7) . . . . ?
C32 B16 B20 B17 66.0(8) . . . . ?
B15 B16 B20 B17 102.6(7) . . . . ?
B11 B16 B20 B17 -42.3(6) . . . . ?
C32 B16 B20 B11 108.3(6) . . . . ?
B15 B16 B20 B11 145.0(6) . . . . ?
C32 B15 B20 B16 34.8(6) . . . . ?
B14 B15 B20 B16 96.2(7) . . . . ?
B19 B15 B20 B16 134.5(7) . . . . ?
C32 B15 B20 B19 -99.7(7) . . . . ?
B14 B15 B20 B19 -38.3(6) . . . . ?
B16 B15 B20 B19 -134.5(7) . . . . ?
C32 B15 B20 B17 -66.4(8) . . . . ?
B14 B15 B20 B17 -5.0(9) . . . . ?
B19 B15 B20 B17 33.3(6) . . . . ?
B16 B15 B20 B17 -101.2(7) . . . . ?
C32 B15 B20 B11 -1.5(9) . . . . ?
B14 B15 B20 B11 59.9(9) . . . . ?
B19 B15 B20 B11 98.2(8) . . . . ?
B16 B15 B20 B11 -36.4(7) . . . . ?
B17 B19 B20 B16 100.6(7) . . . . ?
B14 B19 B20 B16 -4.7(8) . . . . ?
B15 B19 B20 B16 -41.8(6) . . . . ?
B18 B19 B20 B16 57.8(8) . . . . ?
B17 B19 B20 B15 142.4(7) . . . . ?
B14 B19 B20 B15 37.2(6) . . . . ?
B18 B19 B20 B15 99.7(7) . . . . ?
B14 B19 B20 B17 -105.3(7) . . . . ?
B15 B19 B20 B17 -142.4(7) . . . . ?
B18 B19 B20 B17 -42.7(6) . . . . ?
B17 B19 B20 B11 30.6(7) . . . . ?
B14 B19 B20 B11 -74.6(8) . . . . ?
B15 B19 B20 B11 -111.8(7) . . . . ?
B18 B19 B20 B11 -12.1(9) . . . . ?
B19 B17 B20 B16 -100.8(7) . . . . ?
B12 B17 B20 B16 3.9(9) . . . . ?
B11 B17 B20 B16 45.4(7) . . . . ?
B18 B17 B20 B16 -58.3(8) . . . . ?
B19 B17 B20 B15 -34.2(7) . . . . ?
B12 B17 B20 B15 70.4(8) . . . . ?
B11 B17 B20 B15 112.0(8) . . . . ?
B18 B17 B20 B15 8.2(9) . . . . ?
B12 B17 B20 B19 104.6(7) . . . . ?
B11 B17 B20 B19 146.2(7) . . . . ?
B18 B17 B20 B19 42.5(6) . . . . ?
B19 B17 B20 B11 -146.2(7) . . . . ?
B12 B17 B20 B11 -41.6(6) . . . . ?
B18 B17 B20 B11 -103.7(7) . . . . ?
C31 B11 B20 B16 -35.9(9) . . . . ?
B17 B11 B20 B16 -132.0(7) . . . . ?
B12 B11 B20 B16 -93.6(7) . . . . ?
C31 B11 B20 B15 -0.6(13) . . . . ?
B17 B11 B20 B15 -96.7(8) . . . . ?
B12 B11 B20 B15 -58.3(9) . . . . ?
B16 B11 B20 B15 35.3(7) . . . . ?
C31 B11 B20 B19 65.9(11) . . . . ?
B17 B11 B20 B19 -30.2(7) . . . . ?
B12 B11 B20 B19 8.2(9) . . . . ?
B16 B11 B20 B19 101.8(7) . . . . ?
C31 B11 B20 B17 96.1(10) . . . . ?
B12 B11 B20 B17 38.4(6) . . . . ?
B16 B11 B20 B17 132.0(7) . . . . ?
C65 N1 C61 C62 176.1(7) . . . . ?
C69 N1 C61 C62 -60.3(9) . . . . ?
C73 N1 C61 C62 58.2(9) . . . . ?
N1 C61 C62 C63 -175.1(7) . . . . ?
C61 C62 C63 C64 -62.9(10) . . . . ?
C69 N1 C65 C66 -64.9(9) . . . . ?
C61 N1 C65 C66 56.2(9) . . . . ?
C73 N1 C65 C66 177.5(7) . . . . ?
N1 C65 C66 C67 176.6(7) . . . . ?
C65 C66 C67 C68 177.9(7) . . . . ?
C65 N1 C69 C70 -51.8(10) . . . . ?
C61 N1 C69 C70 -173.1(8) . . . . ?
C73 N1 C69 C70 65.5(10) . . . . ?
N1 C69 C70 C71 -163.2(8) . . . . ?
C69 C70 C71 C72 65.4(11) . . . . ?
C65 N1 C73 C74 -72.0(9) . . . . ?
C69 N1 C73 C74 166.7(8) . . . . ?
C61 N1 C73 C74 47.3(10) . . . . ?
N1 C73 C74 C75 163.9(8) . . . . ?
C73 C74 C75 C76 172.2(9) . . . . ?
C93 N2 C81 C82 55.1(10) . . . . ?
C85 N2 C81 C82 173.4(8) . . . . ?
C89 N2 C81 C82 -65.4(10) . . . . ?
N2 C81 C82 C83 169.9(8) . . . . ?
C81 C82 C83 C84 64.2(12) . . . . ?
C93 N2 C85 C86 177.0(7) . . . . ?
C89 N2 C85 C86 -62.5(9) . . . . ?
C81 N2 C85 C86 56.4(10) . . . . ?
N2 C85 C86 C87 175.4(7) . . . . ?
C85 C86 C87 C88 165.6(8) . . . . ?
C93 N2 C89 C90 57.0(9) . . . . ?
C85 N2 C89 C90 -62.3(10) . . . . ?
C81 N2 C89 C90 178.5(8) . . . . ?
N2 C89 C90 C91 176.8(8) . . . . ?
C89 C90 C91 C92 63.6(12) . . . . ?
C85 N2 C93 C94 -70.5(9) . . . . ?
C89 N2 C93 C94 167.8(7) . . . . ?
C81 N2 C93 C94 48.3(9) . . . . ?
N2 C93 C94 C95 159.1(7) . . . . ?
C93 C94 C95 C96 -73.0(9) . . . . ?

_refine_diff_density_max         0.475
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.092



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mk-1175-2
_database_code_depnum_ccdc_archive 'CCDC 2071515'
loop_
_audit_author_name
_audit_author_address
'Guang Wu'
;UC Santa Barbara
United States of America
;
_audit_update_record             
;
2021-11-24 deposited with the CCDC.	2022-02-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C154 H204 B30 Co3 N8 O6 P6 Sm'
_chemical_formula_weight         3100.50

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.0168(13)
_cell_length_b                   23.3163(15)
_cell_length_c                   36.480(2)
_cell_angle_alpha                90
_cell_angle_beta                 90.563(3)
_cell_angle_gamma                90
_cell_volume                     16174.7(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9135
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      25.0

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_F_000             6460
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.775
_shelx_estimated_absorpt_T_min   0.873
_shelx_estimated_absorpt_T_max   0.970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4837
_exptl_absorpt_correction_T_max  0.6936
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'I\mS microfocus tube'
_diffrn_measurement_device_type  
;
Bruker D8 goniometer with Photon100 area detector  
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            131378
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         2.127
_diffrn_reflns_theta_max         25.185
_diffrn_reflns_theta_full        25.185
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             28793
_reflns_number_gt                22867
_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_cell_refinement       'SAINT 8.37A (Bruker-AXS, 2015)'
_computing_data_reduction        'SAINT 8.37A (Bruker-AXS, 2015)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2015)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2015)'

_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. All non-H atoms, including 
 the disorder fragments were located in difference-Fourier maps, and then
 refined anisotropically. The restraints on bond lengths of disorder fragments 
 (SADI/SAME instructions of SHELXL-2014), as well as the restraints of the 
 atomic displacement parameters (SIMU/RIGU instructions of SHELXL-2014) if 
 necessary, have been applied for the disorder refinement. 

 The crystal is merohedrol twin, but we have well refined the structure by 
 applying the twin law that was found by using Platon/twinRotMat.
;

# start Validation Reply Form
_vrf_PLAT910_mk-1175-2           
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         17 Note  
RESPONSE: Missing refflections are blocked by the beamstop
;
# end Validation Reply Formefine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+325.9094P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         28793
_refine_ls_number_parameters     2251
_refine_ls_number_restraints     2100
_refine_ls_R_factor_all          0.1322
_refine_ls_R_factor_gt           0.1066
_refine_ls_wR_factor_ref         0.2497
_refine_ls_wR_factor_gt          0.2342
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.001
_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
Sm1 Sm 0.74881(4) 0.25152(2) 0.41677(2) 0.02419(13) Uani 1 1 d . . . . .
P1 P 0.65497(18) 0.16692(12) 0.49007(9) 0.0287(7) Uani 1 1 d . . . . .
P2 P 0.86408(17) 0.11884(12) 0.42655(9) 0.0278(7) Uani 1 1 d . . . . .
P3 P 0.63157(17) 0.20328(13) 0.33646(9) 0.0302(7) Uani 1 1 d . . . . .
P4 P 0.85364(17) 0.29764(13) 0.33439(9) 0.0292(7) Uani 1 1 d . . . . .
P5 P 0.63785(17) 0.38638(12) 0.42711(8) 0.0257(6) Uani 1 1 d . . . . .
P6 P 0.85437(16) 0.33884(12) 0.48690(8) 0.0243(6) Uani 1 1 d . . . . .
O1 O 0.6862(4) 0.2073(3) 0.4626(2) 0.0264(18) Uani 1 1 d . . . . .
O2 O 0.8228(4) 0.1729(3) 0.4177(2) 0.0286(18) Uani 1 1 d . . . . .
O3 O 0.6708(4) 0.2195(3) 0.3713(2) 0.0300(19) Uani 1 1 d . . . . .
O4 O 0.8202(5) 0.2816(3) 0.3702(2) 0.0319(19) Uani 1 1 d . . . . .
O5 O 0.6775(4) 0.3324(3) 0.4181(2) 0.0263(17) Uani 1 1 d . . . . .
O6 O 0.8172(4) 0.2973(3) 0.4610(2) 0.0270(18) Uani 1 1 d . . . . .
C1 C 0.6973(6) 0.1005(4) 0.4932(3) 0.026(3) Uani 1 1 d . . . . .
C2 C 0.8242(7) 0.0743(5) 0.4581(3) 0.030(3) Uani 1 1 d . . . . .
C3 C 0.5659(9) 0.1542(5) 0.4762(4) 0.047(4) Uani 1 1 d . . . . .
C4 C 0.5455(7) 0.1593(5) 0.4392(4) 0.038(3) Uani 1 1 d . . . . .
H4 H 0.5797 0.1708 0.4219 0.045 Uiso 1 1 calc R U . . .
C5 C 0.4782(8) 0.1483(5) 0.4268(4) 0.048(4) Uani 1 1 d . . . . .
H5 H 0.4668 0.1530 0.4016 0.057 Uiso 1 1 calc R U . . .
C6 C 0.4268(8) 0.1302(6) 0.4513(5) 0.052(4) Uani 1 1 d . . . . .
H6 H 0.3802 0.1226 0.4431 0.062 Uiso 1 1 calc R U . . .
C7 C 0.4454(7) 0.1238(6) 0.4878(5) 0.050(4) Uani 1 1 d . . . . .
H7 H 0.4112 0.1111 0.5048 0.061 Uiso 1 1 calc R U . . .
C8 C 0.5134(7) 0.1355(5) 0.5001(4) 0.043(3) Uani 1 1 d . . . . .
H8 H 0.5244 0.1307 0.5254 0.052 Uiso 1 1 calc R U . . .
C9 C 0.6507(7) 0.2017(5) 0.5337(3) 0.037(3) Uani 1 1 d . . . . .
C10 C 0.6708(7) 0.2604(5) 0.5359(4) 0.035(3) Uani 1 1 d . . . . .
H10 H 0.6838 0.2800 0.5141 0.042 Uiso 1 1 calc R U . . .
C11 C 0.6717(7) 0.2893(6) 0.5689(4) 0.041(3) Uani 1 1 d . . . . .
H11 H 0.6854 0.3284 0.5700 0.049 Uiso 1 1 calc R U . . .
C12 C 0.6525(10) 0.2604(6) 0.5999(4) 0.060(5) Uani 1 1 d . . . . .
H12 H 0.6517 0.2802 0.6226 0.072 Uiso 1 1 calc R U . . .
C13 C 0.6342(9) 0.2029(6) 0.5987(4) 0.052(4) Uani 1 1 d . . . . .
H13 H 0.6216 0.1836 0.6205 0.062 Uiso 1 1 calc R U . . .
C14 C 0.6344(8) 0.1738(6) 0.5658(4) 0.042(3) Uani 1 1 d . . . . .
H14 H 0.6231 0.1342 0.5653 0.050 Uiso 1 1 calc R U . . .
C15 C 0.8813(6) 0.0809(5) 0.3842(3) 0.029(3) Uani 1 1 d . . . . .
C16 C 0.9031(7) 0.0235(5) 0.3841(4) 0.037(3) Uani 1 1 d . . . . .
H16 H 0.9083 0.0033 0.4066 0.045 Uiso 1 1 calc R U . . .
C17 C 0.9172(7) -0.0039(6) 0.3514(4) 0.039(3) Uani 1 1 d . . . . .
H17 H 0.9327 -0.0426 0.3513 0.046 Uiso 1 1 calc R U . . .
C18 C 0.9085(8) 0.0257(6) 0.3188(4) 0.045(4) Uani 1 1 d . . . . .
H18 H 0.9172 0.0068 0.2963 0.054 Uiso 1 1 calc R U . . .
C19 C 0.8872(7) 0.0822(6) 0.3186(4) 0.039(3) Uani 1 1 d . . . . .
H19 H 0.8820 0.1021 0.2960 0.047 Uiso 1 1 calc R U . . .
C20 C 0.8736(6) 0.1097(5) 0.3510(3) 0.031(3) Uani 1 1 d . . . . .
H20 H 0.8588 0.1486 0.3508 0.037 Uiso 1 1 calc R U . . .
C21 C 0.9494(7) 0.1392(5) 0.4446(3) 0.028(3) Uani 1 1 d . . . . .
C22 C 1.0066(7) 0.1007(5) 0.4464(3) 0.036(3) Uani 1 1 d . . . . .
H22 H 1.0004 0.0625 0.4378 0.044 Uiso 1 1 calc R U . . .
C23 C 1.0711(7) 0.1170(6) 0.4603(4) 0.035(3) Uani 1 1 d . . . . .
H23 H 1.1086 0.0901 0.4611 0.042 Uiso 1 1 calc R U . . .
C24 C 1.0820(7) 0.1729(6) 0.4732(4) 0.039(3) Uani 1 1 d . . . . .
H24 H 1.1263 0.1844 0.4830 0.047 Uiso 1 1 calc R U . . .
C25 C 1.0257(7) 0.2111(5) 0.4712(4) 0.039(3) Uani 1 1 d . . . . .
H25 H 1.0324 0.2493 0.4797 0.047 Uiso 1 1 calc R U . . .
C26 C 0.9608(7) 0.1956(5) 0.4575(3) 0.032(3) Uani 1 1 d . . . . .
H26 H 0.9237 0.2229 0.4567 0.038 Uiso 1 1 calc R U . . .
C31 C 0.6757(7) 0.2215(5) 0.2968(3) 0.035(3) Uani 1 1 d . . . . .
C32 C 0.8036(7) 0.2802(5) 0.2959(3) 0.032(3) Uani 1 1 d . . . . .
C33 C 0.5452(7) 0.2341(6) 0.3370(4) 0.039(3) Uani 1 1 d . . . . .
C34 C 0.4995(8) 0.2342(6) 0.3071(4) 0.050(4) Uani 1 1 d . . . . .
H34 H 0.5151 0.2183 0.2846 0.059 Uiso 1 1 calc R U . . .
C35 C 0.4329(8) 0.2563(6) 0.3088(5) 0.052(4) Uani 1 1 d . . . . .
H35 H 0.4026 0.2553 0.2880 0.062 Uiso 1 1 calc R U . . .
C36 C 0.4100(7) 0.2805(6) 0.3417(5) 0.055(4) Uani 1 1 d . . . . .
H36 H 0.3636 0.2952 0.3436 0.066 Uiso 1 1 calc R U . . .
C37 C 0.4564(7) 0.2827(6) 0.3718(4) 0.048(4) Uani 1 1 d . . . . .
H37 H 0.4412 0.2994 0.3941 0.057 Uiso 1 1 calc R U . . .
C38 C 0.5235(7) 0.2611(5) 0.3696(4) 0.035(3) Uani 1 1 d . . . . .
H38 H 0.5549 0.2642 0.3899 0.042 Uiso 1 1 calc R U . . .
C39 C 0.6203(7) 0.1257(5) 0.3371(3) 0.032(3) Uani 1 1 d . . . . .
C40 C 0.5675(7) 0.0984(6) 0.3161(4) 0.039(3) Uani 1 1 d . . . . .
H40 H 0.5343 0.1205 0.3025 0.047 Uiso 1 1 calc R U . . .
C41 C 0.5643(8) 0.0389(6) 0.3155(4) 0.048(4) Uani 1 1 d . . . . .
H41 H 0.5301 0.0201 0.3006 0.058 Uiso 1 1 calc R U . . .
C42 C 0.6107(8) 0.0069(6) 0.3364(4) 0.044(4) Uani 1 1 d . . . . .
H42 H 0.6067 -0.0337 0.3366 0.053 Uiso 1 1 calc R U . . .
C43 C 0.6629(8) 0.0332(6) 0.3571(4) 0.044(3) Uani 1 1 d . . . . .
H43 H 0.6949 0.0106 0.3711 0.053 Uiso 1 1 calc R U . . .
C44 C 0.6684(8) 0.0928(5) 0.3576(4) 0.040(3) Uani 1 1 d . . . . .
H44 H 0.7043 0.1110 0.3716 0.048 Uiso 1 1 calc R U . . .
C45 C 0.8679(7) 0.3746(5) 0.3348(3) 0.032(3) Uani 1 1 d . . . . .
C46 C 0.8204(8) 0.4083(5) 0.3545(3) 0.038(3) Uani 1 1 d . . . . .
H46 H 0.7847 0.3902 0.3684 0.046 Uiso 1 1 calc R U . . .
C47 C 0.8247(8) 0.4679(5) 0.3540(4) 0.043(3) Uani 1 1 d . . . . .
H47 H 0.7916 0.4903 0.3671 0.051 Uiso 1 1 calc R U . . .
C48 C 0.8776(8) 0.4944(5) 0.3343(4) 0.040(3) Uani 1 1 d . . . . .
H48 H 0.8808 0.5350 0.3337 0.049 Uiso 1 1 calc R U . . .
C49 C 0.9254(7) 0.4614(6) 0.3158(4) 0.043(3) Uani 1 1 d . . . . .
H49 H 0.9626 0.4793 0.3030 0.052 Uiso 1 1 calc R U . . .
C50 C 0.9196(7) 0.4026(5) 0.3156(4) 0.036(3) Uani 1 1 d . . . . .
H50 H 0.9523 0.3807 0.3020 0.044 Uiso 1 1 calc R U . . .
C51 C 0.9403(6) 0.2652(5) 0.3325(4) 0.032(3) Uani 1 1 d . . . . .
C52 C 0.9660(7) 0.2365(5) 0.3632(4) 0.037(3) Uani 1 1 d . . . . .
H52 H 0.9378 0.2333 0.3844 0.045 Uiso 1 1 calc R U . . .
C53 C 1.0332(8) 0.2124(6) 0.3629(4) 0.050(4) Uani 1 1 d . . . . .
H53 H 1.0518 0.1940 0.3841 0.060 Uiso 1 1 calc R U . . .
C54 C 1.0712(8) 0.2159(6) 0.3317(5) 0.055(4) Uani 1 1 d . . . . .
H54 H 1.1166 0.1990 0.3311 0.066 Uiso 1 1 calc R U . . .
C55 C 1.0457(8) 0.2432(6) 0.3010(5) 0.051(4) Uani 1 1 d . . . . .
H55 H 1.0741 0.2454 0.2798 0.061 Uiso 1 1 calc R U . . .
C56 C 0.9804(6) 0.2673(5) 0.3004(4) 0.034(3) Uani 1 1 d . . . . .
H56 H 0.9625 0.2851 0.2788 0.041 Uiso 1 1 calc R U . . .
C61 C 0.6811(6) 0.4317(5) 0.4574(3) 0.024(2) Uani 1 1 d . . . . .
C62 C 0.8135(6) 0.4051(5) 0.4916(3) 0.027(3) Uani 1 1 d . . . . .
C63 C 0.5526(7) 0.3668(5) 0.4463(3) 0.028(3) Uani 1 1 d . . . . .
C64 C 0.5442(7) 0.3108(5) 0.4602(3) 0.033(3) Uani 1 1 d . . . . .
H64 H 0.5821 0.2843 0.4593 0.040 Uiso 1 1 calc R U . . .
C65 C 0.4807(7) 0.2948(5) 0.4749(4) 0.038(3) Uani 1 1 d . . . . .
H65 H 0.4742 0.2571 0.4842 0.045 Uiso 1 1 calc R U . . .
C66 C 0.4267(7) 0.3342(5) 0.4760(4) 0.037(3) Uani 1 1 d . . . . .
H66 H 0.3827 0.3231 0.4859 0.044 Uiso 1 1 calc R U . . .
C67 C 0.4350(7) 0.3894(5) 0.4628(4) 0.037(3) Uani 1 1 d . . . . .
H67 H 0.3974 0.4161 0.4638 0.045 Uiso 1 1 calc R U . . .
C68 C 0.4990(6) 0.4050(5) 0.4482(3) 0.025(2) Uani 1 1 d . . . . .
H68 H 0.5055 0.4429 0.4393 0.030 Uiso 1 1 calc R U . . .
C69 C 0.6171(7) 0.4232(5) 0.3847(3) 0.029(3) Uani 1 1 d . . . . .
C70 C 0.5974(6) 0.4808(5) 0.3841(3) 0.028(3) Uani 1 1 d . . . . .
H70 H 0.5949 0.5020 0.4063 0.034 Uiso 1 1 calc R U . . .
C71 C 0.5813(7) 0.5073(5) 0.3506(4) 0.040(3) Uani 1 1 d . . . . .
H71 H 0.5706 0.5471 0.3499 0.048 Uiso 1 1 calc R U . . .
C72 C 0.5811(7) 0.4751(6) 0.3185(4) 0.042(3) Uani 1 1 d . . . . .
H72 H 0.5686 0.4930 0.2959 0.050 Uiso 1 1 calc R U . . .
C73 C 0.5988(7) 0.4175(6) 0.3189(3) 0.037(3) Uani 1 1 d . . . . .
H73 H 0.5983 0.3959 0.2969 0.044 Uiso 1 1 calc R U . . .
C74 C 0.6172(7) 0.3918(5) 0.3519(3) 0.032(3) Uani 1 1 d . . . . .
H74 H 0.6301 0.3524 0.3523 0.038 Uiso 1 1 calc R U . . .
C75 C 0.8644(6) 0.3035(5) 0.5306(3) 0.027(3) Uani 1 1 d . . . . .
C76 C 0.8466(7) 0.2470(5) 0.5338(3) 0.034(3) Uani 1 1 d . . . . .
H76 H 0.8306 0.2271 0.5125 0.041 Uiso 1 1 calc R U . . .
C77 C 0.8510(7) 0.2173(6) 0.5668(3) 0.035(3) Uani 1 1 d . . . . .
H77 H 0.8374 0.1782 0.5685 0.042 Uiso 1 1 calc R U . . .
C78 C 0.8765(8) 0.2475(6) 0.5979(4) 0.050(4) Uani 1 1 d . . . . .
H78 H 0.8807 0.2282 0.6208 0.060 Uiso 1 1 calc R U . . .
C79 C 0.8951(7) 0.3042(6) 0.5955(4) 0.041(3) Uani 1 1 d . . . . .
H79 H 0.9116 0.3240 0.6167 0.049 Uiso 1 1 calc R U . . .
C80 C 0.8900(6) 0.3327(5) 0.5620(3) 0.032(3) Uani 1 1 d . . . . .
H80 H 0.9038 0.3718 0.5602 0.038 Uiso 1 1 calc R U . . .
C81 C 0.9406(6) 0.3517(4) 0.4695(3) 0.029(3) Uani 1 1 d . . . . .
C82 C 0.9530(7) 0.3412(5) 0.4320(4) 0.035(3) Uani 1 1 d . . . . .
H82 H 0.9162 0.3271 0.4167 0.042 Uiso 1 1 calc R U . . .
C83 C 1.0192(6) 0.3515(5) 0.4175(4) 0.037(3) Uani 1 1 d . . . . .
H83 H 1.0273 0.3443 0.3923 0.044 Uiso 1 1 calc R U . . .
C84 C 1.0734(7) 0.3721(6) 0.4394(4) 0.043(3) Uani 1 1 d . . . . .
H84 H 1.1184 0.3786 0.4291 0.052 Uiso 1 1 calc R U . . .
C85 C 1.0627(7) 0.3832(5) 0.4760(4) 0.041(3) Uani 1 1 d . . . . .
H85 H 1.0999 0.3978 0.4909 0.049 Uiso 1 1 calc R U . . .
C86 C 0.9985(7) 0.3733(5) 0.4906(4) 0.033(3) Uani 1 1 d . . . . .
H86 H 0.9918 0.3809 0.5159 0.040 Uiso 1 1 calc R U . . .
B1 B 0.6933(8) 0.0616(5) 0.4592(4) 0.029(3) Uani 1 1 d . U . . .
H1 H 0.6570 0.0659 0.4349 0.035 Uiso 1 1 d R U . . .
B2 B 0.6642(8) 0.0403(5) 0.5048(4) 0.031(2) Uani 1 1 d . U . . .
H2 H 0.6099 0.0349 0.5159 0.038 Uiso 1 1 calc R U . . .
B3 B 0.7435(8) 0.0737(5) 0.5267(3) 0.029(2) Uani 1 1 d . U . . .
H3 H 0.7403 0.1032 0.5509 0.035 Uiso 1 1 calc R U . . .
B4 B 0.8285(8) 0.0889(6) 0.4987(4) 0.032(3) Uani 1 1 d . U . . .
H4A H 0.8553 0.1267 0.5113 0.038 Uiso 1 1 d R U . . .
B5 B 0.8580(8) 0.0202(5) 0.4792(4) 0.031(2) Uani 1 1 d . U . . .
H5A H 0.9124 0.0030 0.4749 0.037 Uiso 1 1 calc R U . . .
B6 B 0.7766(8) 0.0181(5) 0.4486(4) 0.030(2) Uani 1 1 d . U . . .
H6A H 0.7795 0.0099 0.4184 0.036 Uiso 1 1 calc R U . . .
B7 B 0.7032(8) -0.0088(5) 0.4738(4) 0.029(2) Uani 1 1 d . U . . .
H7A H 0.6687 -0.0418 0.4605 0.035 Uiso 1 1 calc R U . . .
B8 B 0.7313(8) -0.0051(5) 0.5215(4) 0.031(2) Uani 1 1 d . U . . .
H8A H 0.7162 -0.0352 0.5440 0.037 Uiso 1 1 calc R U . . .
B9 B 0.8168(8) 0.0245(6) 0.5232(4) 0.035(3) Uani 1 1 d . U . . .
H9 H 0.8503 0.0176 0.5483 0.042 Uiso 1 1 calc R U . . .
B10 B 0.7880(7) -0.0297(6) 0.4888(4) 0.029(2) Uani 1 1 d . U . . .
H10A H 0.8022 -0.0763 0.4879 0.035 Uiso 1 1 calc R U . . .
B11 B 0.6542(7) 0.2730(6) 0.2676(4) 0.029(3) Uani 1 1 d . . . . .
H11A H 0.6031 0.2937 0.2750 0.035 Uiso 1 1 calc R U . . .
B12 B 0.6628(8) 0.1949(7) 0.2567(4) 0.040(4) Uani 1 1 d . . . . .
H12A H 0.6202 0.1637 0.2493 0.048 Uiso 1 1 calc R U . . .
B13 B 0.7399(9) 0.1862(6) 0.2873(4) 0.038(4) Uani 1 1 d . . . . .
H13A H 0.7502 0.1447 0.3022 0.045 Uiso 1 1 d R U . . .
B14 B 0.8182(6) 0.2288(6) 0.2658(4) 0.026(3) Uani 1 1 d . . . . .
H14A H 0.8696 0.2072 0.2721 0.031 Uiso 1 1 calc R U . . .
B15 B 0.8098(8) 0.3082(6) 0.2559(4) 0.038(4) Uani 1 1 d . . . . .
H15 H 0.8513 0.3399 0.2482 0.046 Uiso 1 1 calc R U . . .
B16 B 0.7364(7) 0.3145(6) 0.2877(4) 0.031(3) Uani 1 1 d . . . . .
H16A H 0.7305 0.3545 0.3047 0.037 Uiso 1 1 d R U . . .
B17 B 0.6893(9) 0.2447(7) 0.2237(4) 0.044(4) Uani 1 1 d . . . . .
H17A H 0.6590 0.2433 0.1972 0.053 Uiso 1 1 calc R U . . .
B18 B 0.7496(8) 0.1916(6) 0.2396(4) 0.033(3) Uani 1 1 d . . . . .
H18A H 0.7656 0.1517 0.2247 0.040 Uiso 1 1 calc R U . . .
B19 B 0.7789(8) 0.2592(6) 0.2220(4) 0.036(3) Uani 1 1 d . . . . .
H19A H 0.8059 0.2614 0.1949 0.044 Uiso 1 1 calc R U . . .
B20 B 0.7196(8) 0.3117(7) 0.2404(4) 0.040(4) Uani 1 1 d . . . . .
H20A H 0.7015 0.3519 0.2264 0.048 Uiso 1 1 calc R U . . .
B21 B 0.6839(7) 0.4152(6) 0.4982(4) 0.029(3) Uani 1 1 d . U . . .
H21 H 0.6479 0.3803 0.5078 0.035 Uiso 1 1 d R U . . .
B22 B 0.6501(8) 0.4846(5) 0.4802(4) 0.028(2) Uani 1 1 d . U . . .
H22A H 0.5953 0.5017 0.4772 0.034 Uiso 1 1 calc R U . . .
B23 B 0.7259(7) 0.4886(5) 0.4485(4) 0.028(2) Uani 1 1 d . U . . .
H23A H 0.7183 0.4986 0.4187 0.034 Uiso 1 1 calc R U . . .
B24 B 0.8136(7) 0.4446(5) 0.4573(4) 0.026(2) Uani 1 1 d . U . . .
H24A H 0.8507 0.4411 0.4340 0.031 Uiso 1 1 d R U . . .
B25 B 0.8503(8) 0.4640(6) 0.5037(4) 0.032(3) Uani 1 1 d . U . . .
H25A H 0.9060 0.4687 0.5136 0.038 Uiso 1 1 calc R U . . .
B26 B 0.7729(7) 0.4304(5) 0.5256(4) 0.025(2) Uani 1 1 d . U . . .
H26A H 0.7790 0.4005 0.5495 0.030 Uiso 1 1 calc R U . . .
B27 B 0.6972(7) 0.4788(5) 0.5233(4) 0.028(2) Uani 1 1 d . U . . .
H27 H 0.6653 0.4845 0.5487 0.034 Uiso 1 1 calc R U . . .
B28 B 0.7234(8) 0.5329(6) 0.4906(4) 0.036(3) Uani 1 1 d . U . . .
H28 H 0.7103 0.5797 0.4914 0.043 Uiso 1 1 calc R U . . .
B29 B 0.8026(8) 0.5149(6) 0.4740(4) 0.031(2) Uani 1 1 d . U . . .
H29 H 0.8339 0.5495 0.4604 0.037 Uiso 1 1 calc R U . . .
B30 B 0.7835(7) 0.5089(6) 0.5215(4) 0.030(2) Uani 1 1 d . U . . .
H30 H 0.8014 0.5382 0.5441 0.036 Uiso 1 1 calc R U . . .
Co1 Co 0.75911(10) 0.74861(7) 0.40283(4) 0.0328(4) Uani 1 1 d . . . . .
C91 C 0.6857(7) 0.6845(6) 0.3940(4) 0.047(4) Uani 1 1 d . . . . .
C92 C 0.7392(8) 0.6833(5) 0.3661(3) 0.043(3) Uani 1 1 d . . . . .
C93 C 0.7376(9) 0.7378(6) 0.3480(3) 0.053(4) Uani 1 1 d . . . . .
C94 C 0.6859(7) 0.7727(5) 0.3645(4) 0.043(3) Uani 1 1 d . . . . .
C95 C 0.6527(7) 0.7379(5) 0.3919(4) 0.043(3) Uani 1 1 d . . . . .
C96 C 0.6665(10) 0.6351(6) 0.4178(4) 0.061(4) Uani 1 1 d . . . . .
H96A H 0.7088 0.6129 0.4238 0.092 Uiso 1 1 calc R U . . .
H96B H 0.6327 0.6106 0.4048 0.092 Uiso 1 1 calc R U . . .
H96C H 0.6454 0.6494 0.4404 0.092 Uiso 1 1 calc R U . . .
C97 C 0.7838(9) 0.6323(6) 0.3571(4) 0.059(4) Uani 1 1 d . . . . .
H97A H 0.8300 0.6454 0.3488 0.088 Uiso 1 1 calc R U . . .
H97B H 0.7610 0.6100 0.3375 0.088 Uiso 1 1 calc R U . . .
H97C H 0.7895 0.6083 0.3789 0.088 Uiso 1 1 calc R U . . .
C98 C 0.7812(9) 0.7538(7) 0.3162(4) 0.068(5) Uani 1 1 d . . . . .
H98A H 0.7957 0.7940 0.3185 0.101 Uiso 1 1 calc R U . . .
H98B H 0.7537 0.7487 0.2936 0.101 Uiso 1 1 calc R U . . .
H98C H 0.8229 0.7292 0.3156 0.101 Uiso 1 1 calc R U . . .
C99 C 0.6642(9) 0.8318(6) 0.3513(5) 0.070(5) Uani 1 1 d . . . . .
H99A H 0.6394 0.8519 0.3709 0.105 Uiso 1 1 calc R U . . .
H99B H 0.6330 0.8281 0.3299 0.105 Uiso 1 1 calc R U . . .
H99C H 0.7061 0.8537 0.3445 0.105 Uiso 1 1 calc R U . . .
C100 C 0.5914(8) 0.7581(6) 0.4148(5) 0.062(4) Uani 1 1 d . . . . .
H10B H 0.5897 0.7358 0.4375 0.094 Uiso 1 1 calc R U . . .
H10C H 0.5474 0.7526 0.4009 0.094 Uiso 1 1 calc R U . . .
H10D H 0.5972 0.7988 0.4206 0.094 Uiso 1 1 calc R U . . .
C101 C 0.7990(7) 0.7375(5) 0.4551(4) 0.044(3) Uani 1 1 d . . . . .
C102 C 0.7700(7) 0.7937(5) 0.4506(4) 0.042(3) Uani 1 1 d . . . . .
C103 C 0.8081(8) 0.8210(5) 0.4208(4) 0.047(4) Uani 1 1 d . . . . .
C104 C 0.8582(7) 0.7806(6) 0.4071(4) 0.043(3) Uani 1 1 d . . . . .
C105 C 0.8541(7) 0.7297(5) 0.4289(4) 0.041(3) Uani 1 1 d . . . . .
C106 C 0.7798(7) 0.6960(6) 0.4841(4) 0.043(3) Uani 1 1 d . . . . .
H10E H 0.7292 0.6986 0.4888 0.064 Uiso 1 1 calc R U . . .
H10F H 0.8061 0.7049 0.5066 0.064 Uiso 1 1 calc R U . . .
H10G H 0.7914 0.6571 0.4761 0.064 Uiso 1 1 calc R U . . .
C107 C 0.7158(10) 0.8216(6) 0.4736(5) 0.068(5) Uani 1 1 d . . . . .
H10H H 0.7014 0.8579 0.4623 0.102 Uiso 1 1 calc R U . . .
H10I H 0.7353 0.8289 0.4981 0.102 Uiso 1 1 calc R U . . .
H10J H 0.6749 0.7962 0.4755 0.102 Uiso 1 1 calc R U . . .
C108 C 0.8001(8) 0.8807(6) 0.4078(4) 0.054(4) Uani 1 1 d . . . . .
H10K H 0.8099 0.8824 0.3815 0.080 Uiso 1 1 calc R U . . .
H10L H 0.8331 0.9056 0.4211 0.080 Uiso 1 1 calc R U . . .
H10M H 0.7519 0.8937 0.4121 0.080 Uiso 1 1 calc R U . . .
C109 C 0.9125(8) 0.7901(7) 0.3792(4) 0.058(4) Uani 1 1 d . . . . .
H10N H 0.9168 0.7558 0.3639 0.087 Uiso 1 1 calc R U . . .
H10O H 0.9577 0.7979 0.3914 0.087 Uiso 1 1 calc R U . . .
H10P H 0.8992 0.8229 0.3639 0.087 Uiso 1 1 calc R U . . .
C110 C 0.8985(7) 0.6775(6) 0.4255(5) 0.056(4) Uani 1 1 d . . . . .
H11N H 0.8742 0.6447 0.4365 0.083 Uiso 1 1 calc R U . . .
H11O H 0.9435 0.6837 0.4382 0.083 Uiso 1 1 calc R U . . .
H11P H 0.9071 0.6696 0.3995 0.083 Uiso 1 1 calc R U . . .
Co2 Co 0.76226(9) 0.54939(7) 0.18411(5) 0.0330(4) Uani 1 1 d . . . . .
C111 C 0.7497(8) 0.4620(5) 0.1888(4) 0.042(4) Uani 0.78(2) 1 d DG U P A 1
C112 C 0.7138(9) 0.4833(6) 0.1574(3) 0.044(4) Uani 0.78(2) 1 d DG U P A 1
C113 C 0.6639(7) 0.5245(7) 0.1692(3) 0.044(4) Uani 0.78(2) 1 d DG U P A 1
C114 C 0.6689(8) 0.5286(7) 0.2079(3) 0.039(4) Uani 0.78(2) 1 d DG U P A 1
C115 C 0.7220(8) 0.4899(7) 0.2201(3) 0.038(4) Uani 0.78(2) 1 d DG U P A 1
C116 C 0.8102(12) 0.4200(9) 0.1874(7) 0.059(6) Uani 0.78(2) 1 d D U P A 1
H11B H 0.7921 0.3808 0.1895 0.089 Uiso 0.78(2) 1 calc R U P A 1
H11C H 0.8430 0.4277 0.2076 0.089 Uiso 0.78(2) 1 calc R U P A 1
H11D H 0.8346 0.4242 0.1640 0.089 Uiso 0.78(2) 1 calc R U P A 1
C117 C 0.7246(15) 0.4643(9) 0.1180(5) 0.061(6) Uani 0.78(2) 1 d D U P A 1
H11E H 0.7192 0.4973 0.1016 0.091 Uiso 0.78(2) 1 calc R U P A 1
H11F H 0.6897 0.4350 0.1116 0.091 Uiso 0.78(2) 1 calc R U P A 1
H11G H 0.7720 0.4483 0.1155 0.091 Uiso 0.78(2) 1 calc R U P A 1
C118 C 0.6117(11) 0.5545(11) 0.1454(6) 0.063(6) Uani 0.78(2) 1 d D U P A 1
H11H H 0.5993 0.5914 0.1564 0.094 Uiso 0.78(2) 1 calc R U P A 1
H11I H 0.5693 0.5308 0.1428 0.094 Uiso 0.78(2) 1 calc R U P A 1
H11J H 0.6320 0.5610 0.1211 0.094 Uiso 0.78(2) 1 calc R U P A 1
C119 C 0.6278(10) 0.5664(8) 0.2329(6) 0.046(4) Uani 0.78(2) 1 d D U P A 1
H11K H 0.6169 0.6025 0.2204 0.068 Uiso 0.78(2) 1 calc R U P A 1
H11L H 0.6556 0.5743 0.2551 0.068 Uiso 0.78(2) 1 calc R U P A 1
H11M H 0.5840 0.5471 0.2396 0.068 Uiso 0.78(2) 1 calc R U P A 1
C120 C 0.7443(11) 0.4798(11) 0.2597(5) 0.044(5) Uani 0.78(2) 1 d D U P A 1
H12B H 0.7186 0.4468 0.2695 0.066 Uiso 0.78(2) 1 calc R U P A 1
H12C H 0.7338 0.5139 0.2743 0.066 Uiso 0.78(2) 1 calc R U P A 1
H12D H 0.7949 0.4720 0.2609 0.066 Uiso 0.78(2) 1 calc R U P A 1
C211 C 0.779(2) 0.467(2) 0.1949(14) 0.044(7) Uani 0.22(2) 1 d DG U P A 2
C212 C 0.737(3) 0.472(2) 0.1625(11) 0.049(7) Uani 0.22(2) 1 d DG U P A 2
C213 C 0.675(2) 0.503(3) 0.1715(13) 0.046(6) Uani 0.22(2) 1 d DG U P A 2
C214 C 0.678(3) 0.516(3) 0.2094(14) 0.049(7) Uani 0.22(2) 1 d DG U P A 2
C215 C 0.742(3) 0.494(3) 0.2239(11) 0.046(7) Uani 0.22(2) 1 d DG U P A 2
C216 C 0.845(3) 0.431(2) 0.199(2) 0.044(10) Uani 0.22(2) 1 d D U P A 2
H21A H 0.8647 0.4234 0.1749 0.066 Uiso 0.22(2) 1 calc R U P A 2
H21B H 0.8329 0.3940 0.2107 0.066 Uiso 0.22(2) 1 calc R U P A 2
H21C H 0.8790 0.4512 0.2144 0.066 Uiso 0.22(2) 1 calc R U P A 2
C217 C 0.761(4) 0.448(3) 0.1261(13) 0.044(11) Uani 0.22(2) 1 d D U P A 2
H21D H 0.7524 0.4763 0.1067 0.066 Uiso 0.22(2) 1 calc R U P A 2
H21E H 0.7350 0.4128 0.1207 0.066 Uiso 0.22(2) 1 calc R U P A 2
H21F H 0.8116 0.4394 0.1275 0.066 Uiso 0.22(2) 1 calc R U P A 2
C218 C 0.629(4) 0.509(4) 0.1384(15) 0.060(13) Uani 0.22(2) 1 d D U P A 2
H21G H 0.6238 0.5492 0.1321 0.090 Uiso 0.22(2) 1 calc R U P A 2
H21H H 0.5825 0.4923 0.1437 0.090 Uiso 0.22(2) 1 calc R U P A 2
H21I H 0.6498 0.4879 0.1178 0.090 Uiso 0.22(2) 1 calc R U P A 2
C219 C 0.610(3) 0.543(4) 0.222(2) 0.064(14) Uani 0.22(2) 1 d D U P A 2
H21J H 0.6074 0.5408 0.2483 0.095 Uiso 0.22(2) 1 calc R U P A 2
H21K H 0.5708 0.5218 0.2105 0.095 Uiso 0.22(2) 1 calc R U P A 2
H21L H 0.6089 0.5829 0.2136 0.095 Uiso 0.22(2) 1 calc R U P A 2
C220 C 0.774(5) 0.480(5) 0.2613(15) 0.053(14) Uani 0.22(2) 1 d D U P A 2
H22B H 0.8257 0.4823 0.2599 0.079 Uiso 0.22(2) 1 calc R U P A 2
H22C H 0.7605 0.4414 0.2687 0.079 Uiso 0.22(2) 1 calc R U P A 2
H22D H 0.7575 0.5079 0.2794 0.079 Uiso 0.22(2) 1 calc R U P A 2
C121 C 0.8518(13) 0.5726(11) 0.1591(5) 0.038(4) Uani 0.69(4) 1 d DG U P A 1
C122 C 0.8624(10) 0.5727(10) 0.1977(5) 0.041(5) Uani 0.69(4) 1 d DG U P A 1
C123 C 0.8138(10) 0.6119(9) 0.2132(4) 0.038(4) Uani 0.69(4) 1 d DG U P A 1
C124 C 0.7733(9) 0.6360(8) 0.1842(5) 0.037(4) Uani 0.69(4) 1 d DG U P A 1
C125 C 0.7968(12) 0.6117(11) 0.1507(4) 0.040(4) Uani 0.69(4) 1 d DG U P A 1
C126 C 0.8968(14) 0.5402(15) 0.1331(8) 0.044(6) Uani 0.69(4) 1 d D U P A 1
H12E H 0.9086 0.5027 0.1436 0.066 Uiso 0.69(4) 1 calc R U P A 1
H12F H 0.9402 0.5618 0.1287 0.066 Uiso 0.69(4) 1 calc R U P A 1
H12G H 0.8713 0.5348 0.1099 0.066 Uiso 0.69(4) 1 calc R U P A 1
C127 C 0.9208(14) 0.5419(15) 0.2195(7) 0.063(7) Uani 0.69(4) 1 d D U P A 1
H12H H 0.9045 0.5340 0.2444 0.094 Uiso 0.69(4) 1 calc R U P A 1
H12I H 0.9626 0.5664 0.2207 0.094 Uiso 0.69(4) 1 calc R U P A 1
H12J H 0.9325 0.5058 0.2073 0.094 Uiso 0.69(4) 1 calc R U P A 1
C128 C 0.8087(15) 0.6274(13) 0.2529(6) 0.059(6) Uani 0.69(4) 1 d D U P A 1
H12K H 0.7604 0.6391 0.2583 0.088 Uiso 0.69(4) 1 calc R U P A 1
H12L H 0.8409 0.6591 0.2584 0.088 Uiso 0.69(4) 1 calc R U P A 1
H12M H 0.8214 0.5941 0.2679 0.088 Uiso 0.69(4) 1 calc R U P A 1
C129 C 0.7170(12) 0.6813(9) 0.1860(8) 0.051(6) Uani 0.69(4) 1 d D U P A 1
H12N H 0.6837 0.6760 0.1656 0.077 Uiso 0.69(4) 1 calc R U P A 1
H12O H 0.7387 0.7193 0.1842 0.077 Uiso 0.69(4) 1 calc R U P A 1
H12P H 0.6922 0.6780 0.2093 0.077 Uiso 0.69(4) 1 calc R U P A 1
C130 C 0.7721(16) 0.6260(12) 0.1117(6) 0.050(6) Uani 0.69(4) 1 d D U P A 1
H13B H 0.7756 0.5917 0.0963 0.075 Uiso 0.69(4) 1 calc R U P A 1
H13C H 0.8017 0.6564 0.1016 0.075 Uiso 0.69(4) 1 calc R U P A 1
H13D H 0.7231 0.6390 0.1122 0.075 Uiso 0.69(4) 1 calc R U P A 1
C221 C 0.859(3) 0.579(3) 0.1587(11) 0.038(7) Uani 0.31(4) 1 d DG U P A 2
C222 C 0.860(2) 0.588(2) 0.1971(11) 0.037(6) Uani 0.31(4) 1 d DG U P A 2
C223 C 0.803(3) 0.625(2) 0.2058(9) 0.041(7) Uani 0.31(4) 1 d DG U P A 2
C224 C 0.766(2) 0.638(2) 0.1728(12) 0.042(7) Uani 0.31(4) 1 d DG U P A 2
C225 C 0.800(3) 0.609(3) 0.1436(8) 0.036(6) Uani 0.31(4) 1 d DG U P A 2
C226 C 0.916(3) 0.548(4) 0.139(2) 0.049(14) Uani 0.31(4) 1 d D U P A 2
H22E H 0.9453 0.5756 0.1262 0.073 Uiso 0.31(4) 1 calc R U P A 2
H22F H 0.8952 0.5209 0.1213 0.073 Uiso 0.31(4) 1 calc R U P A 2
H22G H 0.9447 0.5265 0.1569 0.073 Uiso 0.31(4) 1 calc R U P A 2
C227 C 0.916(3) 0.569(3) 0.2250(15) 0.064(14) Uani 0.31(4) 1 d D U P A 2
H22H H 0.9377 0.5333 0.2166 0.095 Uiso 0.31(4) 1 calc R U P A 2
H22I H 0.8939 0.5628 0.2488 0.095 Uiso 0.31(4) 1 calc R U P A 2
H22J H 0.9522 0.5988 0.2274 0.095 Uiso 0.31(4) 1 calc R U P A 2
C228 C 0.781(4) 0.649(3) 0.2418(13) 0.060(12) Uani 0.31(4) 1 d D U P A 2
H22K H 0.7585 0.6191 0.2564 0.090 Uiso 0.31(4) 1 calc R U P A 2
H22L H 0.7469 0.6804 0.2375 0.090 Uiso 0.31(4) 1 calc R U P A 2
H22M H 0.8218 0.6642 0.2550 0.090 Uiso 0.31(4) 1 calc R U P A 2
C229 C 0.701(3) 0.673(3) 0.1668(17) 0.064(13) Uani 0.31(4) 1 d D U P A 2
H22N H 0.6671 0.6653 0.1864 0.096 Uiso 0.31(4) 1 calc R U P A 2
H22O H 0.6792 0.6633 0.1431 0.096 Uiso 0.31(4) 1 calc R U P A 2
H22P H 0.7130 0.7139 0.1670 0.096 Uiso 0.31(4) 1 calc R U P A 2
C230 C 0.776(4) 0.606(3) 0.1035(10) 0.041(10) Uani 0.31(4) 1 d D U P A 2
H23B H 0.8157 0.5978 0.0878 0.062 Uiso 0.31(4) 1 calc R U P A 2
H23C H 0.7548 0.6430 0.0965 0.062 Uiso 0.31(4) 1 calc R U P A 2
H23D H 0.7403 0.5757 0.1008 0.062 Uiso 0.31(4) 1 calc R U P A 2
Co3 Co 0.27266(9) 0.45710(8) 0.31740(5) 0.0354(4) Uani 1 1 d . . . . .
C131 C 0.2890(8) 0.3969(5) 0.3571(4) 0.042(3) Uani 1 1 d . . . . .
C132 C 0.3541(7) 0.4161(6) 0.3422(3) 0.042(3) Uani 1 1 d . . . . .
C133 C 0.3501(9) 0.4035(7) 0.3030(4) 0.058(4) Uani 1 1 d . . . . .
C134 C 0.2856(9) 0.3783(6) 0.2946(4) 0.057(4) Uani 1 1 d . . . . .
C135 C 0.2477(8) 0.3737(6) 0.3283(4) 0.054(4) Uani 1 1 d . . . . .
C136 C 0.2720(9) 0.3970(7) 0.3965(4) 0.054(4) Uani 1 1 d . . . . .
H13E H 0.2929 0.4308 0.4083 0.081 Uiso 1 1 calc R U . . .
H13F H 0.2909 0.3622 0.4080 0.081 Uiso 1 1 calc R U . . .
H13G H 0.2208 0.3980 0.3994 0.081 Uiso 1 1 calc R U . . .
C137 C 0.4150(8) 0.4409(8) 0.3638(5) 0.062(5) Uani 1 1 d . . . . .
H13H H 0.4367 0.4719 0.3496 0.093 Uiso 1 1 calc R U . . .
H13I H 0.4499 0.4108 0.3686 0.093 Uiso 1 1 calc R U . . .
H13J H 0.3980 0.4562 0.3871 0.093 Uiso 1 1 calc R U . . .
C138 C 0.4099(11) 0.4146(11) 0.2776(5) 0.098(7) Uani 1 1 d . . . . .
H13K H 0.3929 0.4124 0.2522 0.146 Uiso 1 1 calc R U . . .
H13L H 0.4466 0.3857 0.2816 0.146 Uiso 1 1 calc R U . . .
H13M H 0.4292 0.4528 0.2824 0.146 Uiso 1 1 calc R U . . .
C139 C 0.2620(14) 0.3578(9) 0.2572(5) 0.108(9) Uani 1 1 d . . . . .
H13N H 0.2109 0.3624 0.2548 0.162 Uiso 1 1 calc R U . . .
H13O H 0.2743 0.3172 0.2544 0.162 Uiso 1 1 calc R U . . .
H13P H 0.2854 0.3804 0.2383 0.162 Uiso 1 1 calc R U . . .
C140 C 0.1730(11) 0.3480(10) 0.3323(6) 0.096(7) Uani 1 1 d . . . . .
H14B H 0.1451 0.3727 0.3484 0.144 Uiso 1 1 calc R U . . .
H14C H 0.1764 0.3096 0.3431 0.144 Uiso 1 1 calc R U . . .
H14D H 0.1502 0.3456 0.3082 0.144 Uiso 1 1 calc R U . . .
C141 C 0.2016(7) 0.5167(7) 0.3358(3) 0.059(4) Uani 0.818(13) 1 d DG U P B 1
C142 C 0.1882(6) 0.5027(6) 0.2985(4) 0.053(4) Uani 0.818(13) 1 d DG U P B 1
C143 C 0.2493(7) 0.5163(6) 0.2782(2) 0.044(3) Uani 0.818(13) 1 d DG U P B 1
C144 C 0.3004(6) 0.5388(6) 0.3029(3) 0.053(4) Uani 0.818(13) 1 d DG U P B 1
C145 C 0.2709(8) 0.5391(6) 0.3386(3) 0.061(4) Uani 0.818(13) 1 d DG U P B 1
C146 C 0.1541(13) 0.5124(10) 0.3688(6) 0.077(6) Uani 0.818(13) 1 d D U P B 1
H14E H 0.1276 0.4763 0.3677 0.115 Uiso 0.818(13) 1 calc R U P B 1
H14F H 0.1213 0.5448 0.3689 0.115 Uiso 0.818(13) 1 calc R U P B 1
H14G H 0.1827 0.5132 0.3913 0.115 Uiso 0.818(13) 1 calc R U P B 1
C147 C 0.1201(11) 0.4792(11) 0.2848(6) 0.071(6) Uani 0.818(13) 1 d D U P B 1
H14H H 0.1292 0.4493 0.2665 0.107 Uiso 0.818(13) 1 calc R U P B 1
H14I H 0.0924 0.5100 0.2735 0.107 Uiso 0.818(13) 1 calc R U P B 1
H14J H 0.0940 0.4626 0.3052 0.107 Uiso 0.818(13) 1 calc R U P B 1
C148 C 0.2536(15) 0.5091(12) 0.2368(5) 0.062(6) Uani 0.818(13) 1 d D U P B 1
H14K H 0.3028 0.5032 0.2298 0.093 Uiso 0.818(13) 1 calc R U P B 1
H14L H 0.2354 0.5437 0.2247 0.093 Uiso 0.818(13) 1 calc R U P B 1
H14M H 0.2255 0.4759 0.2292 0.093 Uiso 0.818(13) 1 calc R U P B 1
C149 C 0.3732(12) 0.5601(11) 0.2925(7) 0.082(6) Uani 0.818(13) 1 d D U P B 1
H14N H 0.3702 0.6003 0.2847 0.123 Uiso 0.818(13) 1 calc R U P B 1
H14O H 0.3912 0.5368 0.2723 0.123 Uiso 0.818(13) 1 calc R U P B 1
H14P H 0.4050 0.5569 0.3136 0.123 Uiso 0.818(13) 1 calc R U P B 1
C150 C 0.3075(14) 0.5647(9) 0.3714(6) 0.079(6) Uani 0.818(13) 1 d D U P B 1
H15A H 0.2971 0.6058 0.3727 0.119 Uiso 0.818(13) 1 calc R U P B 1
H15B H 0.3584 0.5592 0.3693 0.119 Uiso 0.818(13) 1 calc R U P B 1
H15C H 0.2910 0.5458 0.3937 0.119 Uiso 0.818(13) 1 calc R U P B 1
C241 C 0.170(3) 0.485(3) 0.3300(15) 0.056(8) Uani 0.182(13) 1 d DG U P B 2
C242 C 0.174(3) 0.475(3) 0.2917(15) 0.053(7) Uani 0.182(13) 1 d DG U P B 2
C243 C 0.226(4) 0.513(3) 0.2773(11) 0.058(8) Uani 0.182(13) 1 d DG U P B 2
C244 C 0.253(3) 0.546(2) 0.3066(17) 0.059(7) Uani 0.182(13) 1 d DG U P B 2
C245 C 0.219(4) 0.529(3) 0.3392(12) 0.055(8) Uani 0.182(13) 1 d DG U P B 2
C246 C 0.107(4) 0.461(4) 0.350(2) 0.071(16) Uani 0.182(13) 1 d D U P B 2
H24B H 0.1112 0.4714 0.3764 0.106 Uiso 0.182(13) 1 calc R U P B 2
H24C H 0.0638 0.4771 0.3401 0.106 Uiso 0.182(13) 1 calc R U P B 2
H24D H 0.1066 0.4192 0.3480 0.106 Uiso 0.182(13) 1 calc R U P B 2
C247 C 0.120(4) 0.447(4) 0.268(2) 0.057(13) Uani 0.182(13) 1 d D U P B 2
H24E H 0.1375 0.4455 0.2425 0.086 Uiso 0.182(13) 1 calc R U P B 2
H24F H 0.1120 0.4077 0.2765 0.086 Uiso 0.182(13) 1 calc R U P B 2
H24G H 0.0766 0.4687 0.2685 0.086 Uiso 0.182(13) 1 calc R U P B 2
C248 C 0.263(8) 0.527(5) 0.242(2) 0.061(16) Uani 0.182(13) 1 d D U P B 2
H24H H 0.2965 0.5583 0.2458 0.092 Uiso 0.182(13) 1 calc R U P B 2
H24I H 0.2882 0.4932 0.2327 0.092 Uiso 0.182(13) 1 calc R U P B 2
H24J H 0.2281 0.5389 0.2231 0.092 Uiso 0.182(13) 1 calc R U P B 2
C249 C 0.320(4) 0.581(4) 0.313(3) 0.071(14) Uani 0.182(13) 1 d D U P B 2
H24K H 0.3408 0.5914 0.2900 0.107 Uiso 0.182(13) 1 calc R U P B 2
H24L H 0.3077 0.6162 0.3269 0.107 Uiso 0.182(13) 1 calc R U P B 2
H24M H 0.3532 0.5585 0.3280 0.107 Uiso 0.182(13) 1 calc R U P B 2
C250 C 0.223(6) 0.555(4) 0.3769(16) 0.073(14) Uani 0.182(13) 1 d D U P B 2
H25B H 0.1925 0.5331 0.3935 0.109 Uiso 0.182(13) 1 calc R U P B 2
H25C H 0.2714 0.5533 0.3859 0.109 Uiso 0.182(13) 1 calc R U P B 2
H25D H 0.2071 0.5948 0.3759 0.109 Uiso 0.182(13) 1 calc R U P B 2
N1S N 0.0019(9) 0.4153(7) 0.6225(5) 0.087(5) Uani 1 1 d D . . . .
C1S C 0.0116(8) 0.4501(6) 0.6008(4) 0.057(4) Uani 1 1 d D . . . .
C2S C 0.0229(9) 0.4942(6) 0.5743(4) 0.061(4) Uani 1 1 d D . . . .
H2SA H 0.0523 0.4793 0.5545 0.091 Uiso 1 1 calc R U . . .
H2SB H 0.0466 0.5268 0.5860 0.091 Uiso 1 1 calc R U . . .
H2SC H -0.0224 0.5068 0.5641 0.091 Uiso 1 1 calc R U . . .
N2S N 0.5181(10) 0.9037(7) 0.3953(5) 0.093(6) Uani 1 1 d . . . . .
C3S C 0.5185(10) 0.9459(7) 0.4109(5) 0.064(5) Uani 1 1 d . . . . .
C4S C 0.5190(8) 0.9981(6) 0.4314(5) 0.051(4) Uani 1 1 d . . . . .
H4SA H 0.5421 1.0283 0.4172 0.077 Uiso 1 1 calc R U . . .
H4SB H 0.5448 0.9923 0.4545 0.077 Uiso 1 1 calc R U . . .
H4SC H 0.4706 1.0097 0.4367 0.077 Uiso 1 1 calc R U . . .
N3S N 0.461(3) 0.604(3) 0.3839(12) 0.063(7) Uani 0.35(5) 1 d D U P C 1
C5S C 0.471(4) 0.603(4) 0.4153(12) 0.056(5) Uani 0.35(5) 1 d D U P C 1
C6S C 0.486(5) 0.592(5) 0.4531(13) 0.056(7) Uani 0.35(5) 1 d D U P C 1
H6SA H 0.4711 0.5529 0.4595 0.084 Uiso 0.35(5) 1 calc R U P C 1
H6SB H 0.4616 0.6197 0.4684 0.084 Uiso 0.35(5) 1 calc R U P C 1
H6SC H 0.5371 0.5952 0.4574 0.084 Uiso 0.35(5) 1 calc R U P C 1
N3T N 0.4901(16) 0.6283(14) 0.3820(6) 0.063(6) Uani 0.65(5) 1 d D U P C 2
C5T C 0.483(2) 0.6119(19) 0.4117(7) 0.056(5) Uani 0.65(5) 1 d D U P C 2
C6T C 0.473(2) 0.596(2) 0.4492(8) 0.054(6) Uani 0.65(5) 1 d D U P C 2
H6TA H 0.4330 0.5697 0.4509 0.080 Uiso 0.65(5) 1 calc R U P C 2
H6TB H 0.4645 0.6300 0.4639 0.080 Uiso 0.65(5) 1 calc R U P C 2
H6TC H 0.5157 0.5764 0.4583 0.080 Uiso 0.65(5) 1 calc R U P C 2
N4S N 0.0489(9) 0.9017(6) 0.3874(4) 0.070(4) Uani 1 1 d . . . . .
C7S C 0.0299(8) 0.9002(6) 0.4165(5) 0.050(4) Uani 1 1 d . . . . .
C8S C 0.0039(8) 0.8995(7) 0.4532(4) 0.054(4) Uani 1 1 d . . . . .
H8SA H -0.0453 0.9119 0.4532 0.081 Uiso 1 1 calc R U . . .
H8SB H 0.0320 0.9257 0.4684 0.081 Uiso 1 1 calc R U . . .
H8SC H 0.0074 0.8605 0.4631 0.081 Uiso 1 1 calc R U . . .
N5S N 0.5496(16) 0.0628(12) 0.7249(8) 0.074(6) Uani 0.72(3) 1 d D U P D 1
C9S C 0.548(3) 0.1050(15) 0.7079(14) 0.077(6) Uani 0.72(3) 1 d D U P D 1
C10S C 0.5326(14) 0.1614(10) 0.6943(7) 0.075(7) Uani 0.72(3) 1 d D U P D 1
H10Q H 0.5590 0.1680 0.6718 0.113 Uiso 0.72(3) 1 calc R U P D 1
H10R H 0.4822 0.1648 0.6891 0.113 Uiso 0.72(3) 1 calc R U P D 1
H10S H 0.5465 0.1899 0.7128 0.113 Uiso 0.72(3) 1 calc R U P D 1
N5T N 0.529(5) 0.062(4) 0.732(2) 0.085(12) Uani 0.28(3) 1 d D U P D 2
C9T C 0.544(6) 0.096(4) 0.710(3) 0.076(8) Uani 0.28(3) 1 d D U P D 2
C10T C 0.582(3) 0.125(3) 0.6817(17) 0.070(11) Uani 0.28(3) 1 d D U P D 2
H10T H 0.5562 0.1598 0.6745 0.104 Uiso 0.28(3) 1 calc R U P D 2
H10U H 0.6288 0.1357 0.6908 0.104 Uiso 0.28(3) 1 calc R U P D 2
H10V H 0.5867 0.0998 0.6604 0.104 Uiso 0.28(3) 1 calc R U P D 2
N6S N 1.0476(10) 0.3167(9) 0.6986(6) 0.112(7) Uani 1 1 d . U . . .
C11S C 0.9934(10) 0.3378(10) 0.6996(5) 0.077(5) Uani 1 1 d . U . . .
C12S C 0.9229(10) 0.3600(10) 0.6988(6) 0.091(7) Uani 1 1 d . U . . .
H12Q H 0.9162 0.3835 0.6768 0.136 Uiso 1 1 calc R U . . .
H12R H 0.9152 0.3835 0.7206 0.136 Uiso 1 1 calc R U . . .
H12S H 0.8894 0.3281 0.6984 0.136 Uiso 1 1 calc R U . . .
N7S N 0.979(8) 0.605(5) 0.771(3) 0.12(2) Uani 0.19(4) 1 d D U P E 1
C13S C 0.997(9) 0.638(5) 0.792(4) 0.107(17) Uani 0.19(4) 1 d D U P E 1
C14S C 1.011(9) 0.689(6) 0.814(4) 0.10(2) Uani 0.19(4) 1 d D U P E 1
H14Q H 1.0465 0.7122 0.8015 0.153 Uiso 0.19(4) 1 d R U P E 1
H14R H 1.0291 0.6767 0.8378 0.153 Uiso 0.19(4) 1 d R U P E 1
H14S H 0.9680 0.7110 0.8168 0.153 Uiso 0.19(4) 1 d R U P E 1
N7T N 0.9234(17) 0.6363(17) 0.7757(8) 0.146(13) Uani 0.81(4) 1 d D U P E 2
C13T C 0.9736(17) 0.6540(18) 0.7893(9) 0.103(10) Uani 0.81(4) 1 d D U P E 2
C14T C 1.0329(12) 0.6782(13) 0.8083(8) 0.067(7) Uani 0.81(4) 1 d D U P E 2
H14T H 1.0720 0.6826 0.7913 0.101 Uiso 0.81(4) 1 d R U P E 2
H14U H 1.0470 0.6528 0.8285 0.101 Uiso 0.81(4) 1 d R U P E 2
H14V H 1.0201 0.7159 0.8182 0.101 Uiso 0.81(4) 1 d R U P E 2
N8S N 0.622(2) 0.724(3) 0.2746(19) 0.084(13) Uani 0.46(6) 1 d D U P F 1
C15S C 0.579(3) 0.701(3) 0.2912(19) 0.080(10) Uani 0.46(6) 1 d D U P F 1
C16S C 0.515(2) 0.672(3) 0.3007(16) 0.096(16) Uani 0.46(6) 1 d D U P F 1
H16B H 0.5145 0.6645 0.3271 0.143 Uiso 0.46(6) 1 calc R U P F 1
H16C H 0.4744 0.6960 0.2941 0.143 Uiso 0.46(6) 1 calc R U P F 1
H16D H 0.5118 0.6355 0.2874 0.143 Uiso 0.46(6) 1 calc R U P F 1
N8T N 0.622(2) 0.700(3) 0.2790(18) 0.111(15) Uani 0.54(6) 1 d D U P F 2
C15T C 0.566(3) 0.698(3) 0.2901(19) 0.101(11) Uani 0.54(6) 1 d D U P F 2
C16T C 0.506(2) 0.712(3) 0.3123(13) 0.109(15) Uani 0.54(6) 1 d D U P F 2
H16E H 0.4661 0.6871 0.3056 0.164 Uiso 0.54(6) 1 calc R U P F 2
H16F H 0.5178 0.7064 0.3382 0.164 Uiso 0.54(6) 1 calc R U P F 2
H16G H 0.4927 0.7521 0.3081 0.164 Uiso 0.54(6) 1 calc R U P F 2


_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
Sm1 O4 2.295(8) . ?
Sm1 O1 2.305(7) . ?
Sm1 O2 2.310(7) . ?
Sm1 O6 2.322(8) . ?
Sm1 O5 2.323(7) . ?
Sm1 O3 2.337(8) . ?
P1 O1 1.502(8) . ?
P1 C1 1.749(11) . ?
P1 C3 1.788(18) . ?
P1 C9 1.791(12) . ?
P2 O2 1.519(8) . ?
P2 C2 1.732(12) . ?
P2 C21 1.809(13) . ?
P2 C15 1.812(12) . ?
P3 O3 1.515(8) . ?
P3 C31 1.731(13) . ?
P3 C33 1.794(14) . ?
P3 C39 1.821(12) . ?
P4 O4 1.506(8) . ?
P4 C32 1.736(13) . ?
P4 C51 1.815(13) . ?
P4 C45 1.815(12) . ?
P5 O5 1.506(8) . ?
P5 C61 1.732(11) . ?
P5 C69 1.809(12) . ?
P5 C63 1.831(12) . ?
P6 O6 1.523(8) . ?
P6 C62 1.739(11) . ?
P6 C81 1.790(12) . ?
P6 C75 1.804(12) . ?
C1 B1 1.538(17) . ?
C1 B2 1.597(16) . ?
C1 B3 1.623(17) . ?
C2 B4 1.521(18) . ?
C2 B5 1.609(17) . ?
C2 B6 1.626(18) . ?
C3 C8 1.401(18) . ?
C3 C4 1.41(2) . ?
C4 C5 1.38(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.40(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.38(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.39(2) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C14 1.376(17) . ?
C9 C10 1.422(17) . ?
C10 C11 1.379(18) . ?
C10 H10 0.9500 . ?
C11 C12 1.368(19) . ?
C11 H11 0.9500 . ?
C12 C13 1.39(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(18) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.390(17) . ?
C15 C16 1.402(16) . ?
C16 C17 1.381(17) . ?
C16 H16 0.9500 . ?
C17 C18 1.38(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.379(19) . ?
C18 H18 0.9500 . ?
C19 C20 1.373(18) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.411(17) . ?
C21 C26 1.414(17) . ?
C22 C23 1.377(18) . ?
C22 H22 0.9500 . ?
C23 C24 1.401(18) . ?
C23 H23 0.9500 . ?
C24 C25 1.395(18) . ?
C24 H24 0.9500 . ?
C25 C26 1.375(18) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 B13 1.52(2) . ?
C31 B12 1.607(19) . ?
C31 B11 1.653(18) . ?
C32 B16 1.535(18) . ?
C32 B15 1.605(18) . ?
C32 B14 1.650(18) . ?
C33 C34 1.39(2) . ?
C33 C38 1.411(18) . ?
C34 C35 1.37(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.40(2) . ?
C35 H35 0.9500 . ?
C36 C37 1.40(2) . ?
C36 H36 0.9500 . ?
C37 C38 1.375(18) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.404(18) . ?
C39 C40 1.409(18) . ?
C40 C41 1.390(19) . ?
C40 H40 0.9500 . ?
C41 C42 1.38(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.39(2) . ?
C42 H42 0.9500 . ?
C43 C44 1.392(18) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C50 1.377(17) . ?
C45 C46 1.401(18) . ?
C46 C47 1.393(17) . ?
C46 H46 0.9500 . ?
C47 C48 1.386(19) . ?
C47 H47 0.9500 . ?
C48 C49 1.37(2) . ?
C48 H48 0.9500 . ?
C49 C50 1.374(18) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.389(18) . ?
C51 C56 1.404(17) . ?
C52 C53 1.40(2) . ?
C52 H52 0.9500 . ?
C53 C54 1.36(2) . ?
C53 H53 0.9500 . ?
C54 C55 1.37(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.363(19) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 B21 1.538(18) . ?
C61 B22 1.602(16) . ?
C61 B23 1.611(16) . ?
C62 B24 1.551(17) . ?
C62 B26 1.583(16) . ?
C62 B25 1.602(17) . ?
C63 C68 1.356(16) . ?
C63 C64 1.409(16) . ?
C64 C65 1.379(18) . ?
C64 H64 0.9500 . ?
C65 C66 1.378(18) . ?
C65 H65 0.9500 . ?
C66 C67 1.383(18) . ?
C66 H66 0.9500 . ?
C67 C68 1.382(18) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.395(16) . ?
C69 C74 1.404(16) . ?
C70 C71 1.400(17) . ?
C70 H70 0.9500 . ?
C71 C72 1.393(19) . ?
C71 H71 0.9500 . ?
C72 C73 1.385(19) . ?
C72 H72 0.9500 . ?
C73 C74 1.387(17) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 C76 1.366(17) . ?
C75 C80 1.412(17) . ?
C76 C77 1.392(17) . ?
C76 H76 0.9500 . ?
C77 C78 1.416(18) . ?
C77 H77 0.9500 . ?
C78 C79 1.371(19) . ?
C78 H78 0.9500 . ?
C79 C80 1.396(18) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.409(18) . ?
C81 C86 1.430(17) . ?
C82 C83 1.391(17) . ?
C82 H82 0.9500 . ?
C83 C84 1.383(19) . ?
C83 H83 0.9500 . ?
C84 C85 1.38(2) . ?
C84 H84 0.9500 . ?
C85 C86 1.356(18) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
B1 B7 1.735(17) . ?
B1 B2 1.825(19) . ?
B1 B6 1.92(2) . ?
B1 H1 1.1220 . ?
B2 B8 1.763(19) . ?
B2 B7 1.776(19) . ?
B2 B3 1.87(2) . ?
B2 H2 1.1200 . ?
B3 B9 1.81(2) . ?
B3 B8 1.861(18) . ?
B3 B4 1.95(2) . ?
B3 H3 1.1200 . ?
B4 B9 1.763(19) . ?
B4 B5 1.843(18) . ?
B4 H4A 1.1149 . ?
B5 B9 1.797(19) . ?
B5 B10 1.80(2) . ?
B5 B6 1.90(2) . ?
B5 H5A 1.1200 . ?
B6 B7 1.79(2) . ?
B6 B10 1.855(18) . ?
B6 H6A 1.1200 . ?
B7 B10 1.766(19) . ?
B7 B8 1.817(19) . ?
B7 H7A 1.1200 . ?
B8 B10 1.715(19) . ?
B8 B9 1.77(2) . ?
B8 H8A 1.1200 . ?
B9 B10 1.86(2) . ?
B9 H9 1.1200 . ?
B10 H10A 1.1200 . ?
B11 B20 1.84(2) . ?
B11 B17 1.86(2) . ?
B11 B12 1.87(2) . ?
B11 B16 1.973(18) . ?
B11 H11A 1.1200 . ?
B12 B17 1.75(2) . ?
B12 B18 1.77(2) . ?
B12 B13 1.85(2) . ?
B12 H12A 1.1200 . ?
B13 B18 1.756(19) . ?
B13 B14 1.961(19) . ?
B13 H13A 1.1267 . ?
B14 B18 1.829(19) . ?
B14 B15 1.89(2) . ?
B14 B19 1.896(19) . ?
B14 H14A 1.1200 . ?
B15 B19 1.78(2) . ?
B15 B20 1.80(2) . ?
B15 B16 1.83(2) . ?
B15 H15 1.1200 . ?
B16 B20 1.75(2) . ?
B16 H16A 1.1249 . ?
B17 B19 1.74(2) . ?
B17 B20 1.77(2) . ?
B17 B18 1.78(2) . ?
B17 H17A 1.1200 . ?
B18 B19 1.79(2) . ?
B18 H18A 1.1200 . ?
B19 B20 1.80(2) . ?
B19 H19A 1.1200 . ?
B20 H20A 1.1200 . ?
B21 B27 1.759(18) . ?
B21 B22 1.859(19) . ?
B21 B26 1.988(19) . ?
B21 H21 1.1213 . ?
B22 B27 1.808(19) . ?
B22 B28 1.83(2) . ?
B22 B23 1.859(19) . ?
B22 H22A 1.1200 . ?
B23 B29 1.83(2) . ?
B23 B28 1.848(19) . ?
B23 B24 1.982(19) . ?
B23 H23A 1.1200 . ?
B24 B29 1.762(18) . ?
B24 B25 1.88(2) . ?
B24 H24A 1.1135 . ?
B25 B30 1.775(19) . ?
B25 B29 1.84(2) . ?
B25 B26 1.857(18) . ?
B25 H25A 1.1200 . ?
B26 B27 1.829(18) . ?
B26 B30 1.848(18) . ?
B26 H26A 1.1200 . ?
B27 B30 1.786(19) . ?
B27 B28 1.81(2) . ?
B27 H27 1.1200 . ?
B28 B29 1.68(2) . ?
B28 B30 1.69(2) . ?
B28 H28 1.1200 . ?
B29 B30 1.780(19) . ?
B29 H29 1.1200 . ?
B30 H30 1.1200 . ?
Co1 C104 2.031(13) . ?
Co1 C103 2.035(13) . ?
Co1 C94 2.042(14) . ?
Co1 C102 2.043(13) . ?
Co1 C93 2.054(13) . ?
Co1 C101 2.061(14) . ?
Co1 C92 2.062(12) . ?
Co1 C91 2.069(13) . ?
Co1 C95 2.074(13) . ?
Co1 C105 2.081(14) . ?
C91 C95 1.398(18) . ?
C91 C92 1.45(2) . ?
C91 C96 1.489(19) . ?
C92 C93 1.434(18) . ?
C92 C97 1.498(18) . ?
C93 C94 1.42(2) . ?
C93 C98 1.48(2) . ?
C94 C95 1.439(19) . ?
C94 C99 1.515(18) . ?
C95 C100 1.51(2) . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C100 H10D 0.9800 . ?
C101 C102 1.431(18) . ?
C101 C105 1.436(18) . ?
C101 C106 1.481(17) . ?
C102 C103 1.458(18) . ?
C102 C107 1.486(19) . ?
C103 C104 1.433(19) . ?
C103 C108 1.478(19) . ?
C104 C105 1.430(18) . ?
C104 C109 1.475(18) . ?
C105 C110 1.488(18) . ?
C106 H10E 0.9800 . ?
C106 H10F 0.9800 . ?
C106 H10G 0.9800 . ?
C107 H10H 0.9800 . ?
C107 H10I 0.9800 . ?
C107 H10J 0.9800 . ?
C108 H10K 0.9800 . ?
C108 H10L 0.9800 . ?
C108 H10M 0.9800 . ?
C109 H10N 0.9800 . ?
C109 H10O 0.9800 . ?
C109 H10P 0.9800 . ?
C110 H11N 0.9800 . ?
C110 H11O 0.9800 . ?
C110 H11P 0.9800 . ?
Co2 C215 1.99(6) . ?
Co2 C211 1.99(5) . ?
Co2 C214 2.01(6) . ?
Co2 C125 2.01(3) . ?
Co2 C121 2.01(3) . ?
Co2 C212 2.02(5) . ?
Co2 C113 2.028(14) . ?
Co2 C213 2.03(5) . ?
Co2 C124 2.03(2) . ?
Co2 C122 2.04(2) . ?
Co2 C112 2.039(14) . ?
Co2 C114 2.042(16) . ?
C111 C115 1.4200 . ?
C111 C112 1.4200 . ?
C111 C116 1.51(2) . ?
C112 C113 1.4200 . ?
C112 C117 1.518(17) . ?
C113 C114 1.4200 . ?
C113 C118 1.49(2) . ?
C114 C115 1.4200 . ?
C114 C119 1.493(18) . ?
C115 C120 1.522(17) . ?
C116 H11B 0.9800 . ?
C116 H11C 0.9800 . ?
C116 H11D 0.9800 . ?
C117 H11E 0.9800 . ?
C117 H11F 0.9800 . ?
C117 H11G 0.9800 . ?
C118 H11H 0.9800 . ?
C118 H11I 0.9800 . ?
C118 H11J 0.9800 . ?
C119 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C119 H11M 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C120 H12D 0.9800 . ?
C211 C215 1.4200 . ?
C211 C212 1.4200 . ?
C211 C216 1.51(3) . ?
C212 C213 1.4200 . ?
C212 C217 1.51(2) . ?
C213 C214 1.4200 . ?
C213 C218 1.49(3) . ?
C214 C215 1.4200 . ?
C214 C219 1.50(3) . ?
C215 C220 1.52(2) . ?
C216 H21A 0.9800 . ?
C216 H21B 0.9800 . ?
C216 H21C 0.9800 . ?
C217 H21D 0.9800 . ?
C217 H21E 0.9800 . ?
C217 H21F 0.9800 . ?
C218 H21G 0.9800 . ?
C218 H21H 0.9800 . ?
C218 H21I 0.9800 . ?
C219 H21J 0.9800 . ?
C219 H21K 0.9800 . ?
C219 H21L 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C220 H22D 0.9800 . ?
C121 C122 1.4200 . ?
C121 C125 1.4200 . ?
C121 C126 1.490(18) . ?
C122 C123 1.4200 . ?
C122 C127 1.54(2) . ?
C123 C124 1.4200 . ?
C123 C128 1.496(19) . ?
C124 C125 1.4200 . ?
C124 C129 1.505(19) . ?
C125 C130 1.532(19) . ?
C126 H12E 0.9800 . ?
C126 H12F 0.9800 . ?
C126 H12G 0.9800 . ?
C127 H12H 0.9800 . ?
C127 H12I 0.9800 . ?
C127 H12J 0.9800 . ?
C128 H12K 0.9800 . ?
C128 H12L 0.9800 . ?
C128 H12M 0.9800 . ?
C129 H12N 0.9800 . ?
C129 H12O 0.9800 . ?
C129 H12P 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C130 H13D 0.9800 . ?
C221 C225 1.4200 . ?
C221 C222 1.4200 . ?
C221 C226 1.49(2) . ?
C222 C223 1.4200 . ?
C222 C227 1.53(3) . ?
C223 C224 1.4200 . ?
C223 C228 1.50(2) . ?
C224 C225 1.4200 . ?
C224 C229 1.51(2) . ?
C225 C230 1.53(2) . ?
C226 H22E 0.9800 . ?
C226 H22F 0.9800 . ?
C226 H22G 0.9800 . ?
C227 H22H 0.9800 . ?
C227 H22I 0.9800 . ?
C227 H22J 0.9800 . ?
C228 H22K 0.9800 . ?
C228 H22L 0.9800 . ?
C228 H22M 0.9800 . ?
C229 H22N 0.9800 . ?
C229 H22O 0.9800 . ?
C229 H22P 0.9800 . ?
C230 H23B 0.9800 . ?
C230 H23C 0.9800 . ?
C230 H23D 0.9800 . ?
Co3 C133 2.004(16) . ?
Co3 C132 2.025(14) . ?
Co3 C134 2.032(14) . ?
Co3 C143 2.033(13) . ?
Co3 C131 2.037(13) . ?
Co3 C142 2.039(13) . ?
Co3 C135 2.042(13) . ?
Co3 C144 2.047(13) . ?
Co3 C141 2.057(14) . ?
Co3 C145 2.062(13) . ?
Co3 C241 2.12(6) . ?
Co3 C245 2.13(6) . ?
C131 C135 1.415(19) . ?
C131 C132 1.427(19) . ?
C131 C136 1.479(19) . ?
C132 C133 1.461(19) . ?
C132 C137 1.51(2) . ?
C133 C134 1.39(2) . ?
C133 C138 1.50(2) . ?
C134 C135 1.43(2) . ?
C134 C139 1.51(2) . ?
C135 C140 1.55(2) . ?
C136 H13E 0.9800 . ?
C136 H13F 0.9800 . ?
C136 H13G 0.9800 . ?
C137 H13H 0.9800 . ?
C137 H13I 0.9800 . ?
C137 H13J 0.9800 . ?
C138 H13K 0.9800 . ?
C138 H13L 0.9800 . ?
C138 H13M 0.9800 . ?
C139 H13N 0.9800 . ?
C139 H13O 0.9800 . ?
C139 H13P 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C140 H14D 0.9800 . ?
C141 C145 1.4200 . ?
C141 C142 1.4200 . ?
C141 C146 1.52(2) . ?
C142 C143 1.4200 . ?
C142 C147 1.49(2) . ?
C143 C144 1.4200 . ?
C143 C148 1.524(19) . ?
C144 C145 1.4200 . ?
C144 C149 1.52(2) . ?
C145 C150 1.50(2) . ?
C146 H14E 0.9800 . ?
C146 H14F 0.9800 . ?
C146 H14G 0.9800 . ?
C147 H14H 0.9800 . ?
C147 H14I 0.9800 . ?
C147 H14J 0.9800 . ?
C148 H14K 0.9800 . ?
C148 H14L 0.9800 . ?
C148 H14M 0.9800 . ?
C149 H14N 0.9800 . ?
C149 H14O 0.9800 . ?
C149 H14P 0.9800 . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C241 C242 1.4200 . ?
C241 C245 1.4200 . ?
C241 C246 1.52(3) . ?
C242 C243 1.4200 . ?
C242 C247 1.49(3) . ?
C243 C244 1.4200 . ?
C243 C248 1.53(3) . ?
C244 C245 1.4200 . ?
C244 C249 1.52(3) . ?
C245 C250 1.50(3) . ?
C246 H24B 0.9800 . ?
C246 H24C 0.9800 . ?
C246 H24D 0.9800 . ?
C247 H24E 0.9800 . ?
C247 H24F 0.9800 . ?
C247 H24G 0.9800 . ?
C248 H24H 0.9800 . ?
C248 H24I 0.9800 . ?
C248 H24J 0.9800 . ?
C249 H24K 0.9800 . ?
C249 H24L 0.9800 . ?
C249 H24M 0.9800 . ?
C250 H25B 0.9800 . ?
C250 H25C 0.9800 . ?
C250 H25D 0.9800 . ?
N1S C1S 1.149(15) . ?
C1S C2S 1.430(16) . ?
C2S H2SA 0.9800 . ?
C2S H2SB 0.9800 . ?
C2S H2SC 0.9800 . ?
N2S C3S 1.14(2) . ?
C3S C4S 1.43(2) . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 0.9800 . ?
N3S C5S 1.157(18) . ?
C5S C6S 1.43(2) . ?
C6S H6SA 0.9800 . ?
C6S H6SB 0.9800 . ?
C6S H6SC 0.9800 . ?
N3T C5T 1.157(16) . ?
C5T C6T 1.433(19) . ?
C6T H6TA 0.9800 . ?
C6T H6TB 0.9800 . ?
C6T H6TC 0.9800 . ?
N4S C7S 1.12(2) . ?
C7S C8S 1.43(2) . ?
C8S H8SA 0.9800 . ?
C8S H8SB 0.9800 . ?
C8S H8SC 0.9800 . ?
N5S C9S 1.162(17) . ?
C9S C10S 1.43(2) . ?
C10S H10Q 0.9800 . ?
C10S H10R 0.9800 . ?
C10S H10S 0.9800 . ?
N5T C9T 1.161(18) . ?
C9T C10T 1.44(2) . ?
C10T H10T 0.9800 . ?
C10T H10U 0.9800 . ?
C10T H10V 0.9800 . ?
N6S C11S 1.14(2) . ?
C11S C12S 1.44(3) . ?
C12S H12Q 0.9800 . ?
C12S H12R 0.9800 . ?
C12S H12S 0.9800 . ?
N7S C13S 1.156(19) . ?
C13S C14S 1.44(2) . ?
C14S H14Q 0.9799 . ?
C14S H14R 0.9798 . ?
C14S H14S 0.9804 . ?
N7T C13T 1.148(17) . ?
C13T C14T 1.434(19) . ?
C14T H14T 0.9806 . ?
C14T H14U 0.9798 . ?
C14T H14V 0.9798 . ?
N8S C15S 1.156(19) . ?
C15S C16S 1.44(2) . ?
C16S H16B 0.9800 . ?
C16S H16C 0.9800 . ?
C16S H16D 0.9800 . ?
N8T C15T 1.158(19) . ?
C15T C16T 1.44(2) . ?
C16T H16E 0.9800 . ?
C16T H16F 0.9800 . ?
C16T H16G 0.9800 . ?

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
O4 Sm1 O1 170.8(3) . . ?
O4 Sm1 O2 83.6(3) . . ?
O1 Sm1 O2 87.3(3) . . ?
O4 Sm1 O6 92.4(3) . . ?
O1 Sm1 O6 89.5(2) . . ?
O2 Sm1 O6 91.0(3) . . ?
O4 Sm1 O5 96.7(3) . . ?
O1 Sm1 O5 92.4(3) . . ?
O2 Sm1 O5 177.3(3) . . ?
O6 Sm1 O5 86.3(3) . . ?
O4 Sm1 O3 87.1(2) . . ?
O1 Sm1 O3 92.5(3) . . ?
O2 Sm1 O3 98.0(3) . . ?
O6 Sm1 O3 170.9(3) . . ?
O5 Sm1 O3 84.7(3) . . ?
O1 P1 C1 114.5(5) . . ?
O1 P1 C3 107.2(5) . . ?
C1 P1 C3 107.8(6) . . ?
O1 P1 C9 109.3(5) . . ?
C1 P1 C9 111.6(6) . . ?
C3 P1 C9 106.0(6) . . ?
O2 P2 C2 114.2(5) . . ?
O2 P2 C21 108.7(5) . . ?
C2 P2 C21 108.2(6) . . ?
O2 P2 C15 108.8(5) . . ?
C2 P2 C15 111.0(6) . . ?
C21 P2 C15 105.6(5) . . ?
O3 P3 C31 113.6(6) . . ?
O3 P3 C33 109.5(6) . . ?
C31 P3 C33 111.2(6) . . ?
O3 P3 C39 107.1(5) . . ?
C31 P3 C39 108.2(6) . . ?
C33 P3 C39 106.9(6) . . ?
O4 P4 C32 114.2(5) . . ?
O4 P4 C51 108.7(6) . . ?
C32 P4 C51 111.3(6) . . ?
O4 P4 C45 107.6(5) . . ?
C32 P4 C45 108.6(6) . . ?
C51 P4 C45 106.1(6) . . ?
O5 P5 C61 114.5(5) . . ?
O5 P5 C69 108.5(5) . . ?
C61 P5 C69 110.7(5) . . ?
O5 P5 C63 108.8(5) . . ?
C61 P5 C63 108.9(5) . . ?
C69 P5 C63 105.1(6) . . ?
O6 P6 C62 114.9(5) . . ?
O6 P6 C81 107.9(5) . . ?
C62 P6 C81 107.3(5) . . ?
O6 P6 C75 107.6(5) . . ?
C62 P6 C75 111.3(5) . . ?
C81 P6 C75 107.5(6) . . ?
P1 O1 Sm1 167.1(5) . . ?
P2 O2 Sm1 167.3(5) . . ?
P3 O3 Sm1 168.2(5) . . ?
P4 O4 Sm1 167.4(6) . . ?
P5 O5 Sm1 167.7(5) . . ?
P6 O6 Sm1 167.7(5) . . ?
B1 C1 B2 71.2(8) . . ?
B1 C1 B3 113.7(10) . . ?
B2 C1 B3 71.0(8) . . ?
B1 C1 P1 116.8(9) . . ?
B2 C1 P1 127.9(9) . . ?
B3 C1 P1 129.5(8) . . ?
B4 C2 B5 72.1(9) . . ?
B4 C2 B6 114.4(10) . . ?
B5 C2 B6 71.9(8) . . ?
B4 C2 P2 119.5(9) . . ?
B5 C2 P2 127.7(10) . . ?
B6 C2 P2 126.0(9) . . ?
C8 C3 C4 115.6(15) . . ?
C8 C3 P1 123.8(12) . . ?
C4 C3 P1 120.6(10) . . ?
C5 C4 C3 123.0(13) . . ?
C5 C4 H4 118.5 . . ?
C3 C4 H4 118.5 . . ?
C4 C5 C6 120.1(15) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C7 C6 C5 118.4(15) . . ?
C7 C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
C6 C7 C8 121.2(14) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C7 C8 C3 121.7(15) . . ?
C7 C8 H8 119.1 . . ?
C3 C8 H8 119.1 . . ?
C14 C9 C10 118.1(12) . . ?
C14 C9 P1 123.7(10) . . ?
C10 C9 P1 118.0(9) . . ?
C11 C10 C9 121.2(12) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C12 C11 C10 118.7(13) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
C11 C12 C13 121.2(13) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
C14 C13 C12 120.1(13) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C9 C14 C13 120.6(12) . . ?
C9 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C20 C15 C16 119.1(11) . . ?
C20 C15 P2 119.2(9) . . ?
C16 C15 P2 121.7(10) . . ?
C17 C16 C15 120.3(12) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 119.3(12) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C19 C18 C17 121.0(13) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C18 119.9(13) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C15 120.4(12) . . ?
C19 C20 H20 119.8 . . ?
C15 C20 H20 119.8 . . ?
C22 C21 C26 117.5(12) . . ?
C22 C21 P2 122.5(9) . . ?
C26 C21 P2 120.0(9) . . ?
C23 C22 C21 121.6(12) . . ?
C23 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C22 C23 C24 120.6(12) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C25 C24 C23 117.8(12) . . ?
C25 C24 H24 121.1 . . ?
C23 C24 H24 121.1 . . ?
C26 C25 C24 122.4(12) . . ?
C26 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
C25 C26 C21 120.0(11) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
B13 C31 B12 72.4(10) . . ?
B13 C31 B11 116.2(11) . . ?
B12 C31 B11 70.1(9) . . ?
B13 C31 P3 117.1(9) . . ?
B12 C31 P3 126.5(10) . . ?
B11 C31 P3 126.7(10) . . ?
B16 C32 B15 71.2(9) . . ?
B16 C32 B14 113.2(10) . . ?
B15 C32 B14 71.1(9) . . ?
B16 C32 P4 119.0(9) . . ?
B15 C32 P4 126.5(10) . . ?
B14 C32 P4 127.8(9) . . ?
C34 C33 C38 118.5(13) . . ?
C34 C33 P3 123.8(11) . . ?
C38 C33 P3 117.6(11) . . ?
C35 C34 C33 122.3(14) . . ?
C35 C34 H34 118.8 . . ?
C33 C34 H34 118.8 . . ?
C34 C35 C36 119.2(14) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C35 C36 C37 119.2(12) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
C38 C37 C36 121.1(14) . . ?
C38 C37 H37 119.4 . . ?
C36 C37 H37 119.4 . . ?
C37 C38 C33 119.5(13) . . ?
C37 C38 H38 120.2 . . ?
C33 C38 H38 120.2 . . ?
C44 C39 C40 119.9(11) . . ?
C44 C39 P3 118.3(10) . . ?
C40 C39 P3 121.7(10) . . ?
C41 C40 C39 119.4(13) . . ?
C41 C40 H40 120.3 . . ?
C39 C40 H40 120.3 . . ?
C42 C41 C40 120.2(14) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C41 C42 C43 120.9(13) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 H42 119.6 . . ?
C42 C43 C44 120.1(14) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C39 119.4(13) . . ?
C43 C44 H44 120.3 . . ?
C39 C44 H44 120.3 . . ?
C50 C45 C46 117.5(11) . . ?
C50 C45 P4 125.0(10) . . ?
C46 C45 P4 117.4(10) . . ?
C47 C46 C45 120.9(13) . . ?
C47 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
C48 C47 C46 119.7(13) . . ?
C48 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
C49 C48 C47 119.4(12) . . ?
C49 C48 H48 120.3 . . ?
C47 C48 H48 120.3 . . ?
C48 C49 C50 120.5(13) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C49 C50 C45 121.9(13) . . ?
C49 C50 H50 119.0 . . ?
C45 C50 H50 119.0 . . ?
C52 C51 C56 119.9(12) . . ?
C52 C51 P4 118.9(10) . . ?
C56 C51 P4 121.2(10) . . ?
C51 C52 C53 120.3(13) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C54 C53 C52 118.5(15) . . ?
C54 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
C53 C54 C55 121.6(14) . . ?
C53 C54 H54 119.2 . . ?
C55 C54 H54 119.2 . . ?
C56 C55 C54 121.3(14) . . ?
C56 C55 H55 119.4 . . ?
C54 C55 H55 119.4 . . ?
C55 C56 C51 118.3(13) . . ?
C55 C56 H56 120.8 . . ?
C51 C56 H56 120.8 . . ?
B21 C61 B22 72.6(8) . . ?
B21 C61 B23 112.8(10) . . ?
B22 C61 B23 70.7(8) . . ?
B21 C61 P5 118.5(8) . . ?
B22 C61 P5 128.8(9) . . ?
B23 C61 P5 128.5(9) . . ?
B24 C62 B26 114.6(9) . . ?
B24 C62 B25 73.1(9) . . ?
B26 C62 B25 71.3(8) . . ?
B24 C62 P6 116.4(9) . . ?
B26 C62 P6 129.0(9) . . ?
B25 C62 P6 126.4(9) . . ?
C68 C63 C64 120.2(12) . . ?
C68 C63 P5 121.6(9) . . ?
C64 C63 P5 118.1(9) . . ?
C65 C64 C63 119.5(12) . . ?
C65 C64 H64 120.2 . . ?
C63 C64 H64 120.2 . . ?
C66 C65 C64 119.1(12) . . ?
C66 C65 H65 120.4 . . ?
C64 C65 H65 120.4 . . ?
C65 C66 C67 121.5(12) . . ?
C65 C66 H66 119.3 . . ?
C67 C66 H66 119.3 . . ?
C68 C67 C66 118.9(12) . . ?
C68 C67 H67 120.6 . . ?
C66 C67 H67 120.6 . . ?
C63 C68 C67 120.8(11) . . ?
C63 C68 H68 119.6 . . ?
C67 C68 H68 119.6 . . ?
C70 C69 C74 119.5(11) . . ?
C70 C69 P5 121.9(9) . . ?
C74 C69 P5 118.6(9) . . ?
C69 C70 C71 119.7(11) . . ?
C69 C70 H70 120.1 . . ?
C71 C70 H70 120.1 . . ?
C72 C71 C70 119.7(12) . . ?
C72 C71 H71 120.1 . . ?
C70 C71 H71 120.1 . . ?
C73 C72 C71 120.9(12) . . ?
C73 C72 H72 119.5 . . ?
C71 C72 H72 119.5 . . ?
C72 C73 C74 119.3(12) . . ?
C72 C73 H73 120.3 . . ?
C74 C73 H73 120.3 . . ?
C73 C74 C69 120.7(11) . . ?
C73 C74 H74 119.6 . . ?
C69 C74 H74 119.6 . . ?
C76 C75 C80 118.7(11) . . ?
C76 C75 P6 119.4(9) . . ?
C80 C75 P6 121.9(9) . . ?
C75 C76 C77 122.6(12) . . ?
C75 C76 H76 118.7 . . ?
C77 C76 H76 118.7 . . ?
C76 C77 C78 117.7(12) . . ?
C76 C77 H77 121.2 . . ?
C78 C77 H77 121.2 . . ?
C79 C78 C77 120.9(13) . . ?
C79 C78 H78 119.6 . . ?
C77 C78 H78 119.6 . . ?
C78 C79 C80 120.0(12) . . ?
C78 C79 H79 120.0 . . ?
C80 C79 H79 120.0 . . ?
C79 C80 C75 120.0(11) . . ?
C79 C80 H80 120.0 . . ?
C75 C80 H80 120.0 . . ?
C82 C81 C86 116.6(11) . . ?
C82 C81 P6 118.6(10) . . ?
C86 C81 P6 124.8(10) . . ?
C83 C82 C81 120.0(13) . . ?
C83 C82 H82 120.0 . . ?
C81 C82 H82 120.0 . . ?
C84 C83 C82 120.8(13) . . ?
C84 C83 H83 119.6 . . ?
C82 C83 H83 119.6 . . ?
C85 C84 C83 120.5(13) . . ?
C85 C84 H84 119.7 . . ?
C83 C84 H84 119.7 . . ?
C86 C85 C84 119.4(13) . . ?
C86 C85 H85 120.3 . . ?
C84 C85 H85 120.3 . . ?
C85 C86 C81 122.6(12) . . ?
C85 C86 H86 118.7 . . ?
C81 C86 H86 118.7 . . ?
C1 B1 B7 107.8(10) . . ?
C1 B1 B2 55.9(7) . . ?
B7 B1 B2 59.8(7) . . ?
C1 B1 B6 116.1(11) . . ?
B7 B1 B6 58.4(7) . . ?
B2 B1 B6 107.4(9) . . ?
C1 B1 H1 127.5 . . ?
B7 B1 H1 113.1 . . ?
B2 B1 H1 123.6 . . ?
B6 B1 H1 112.9 . . ?
C1 B2 B8 109.5(11) . . ?
C1 B2 B7 103.3(10) . . ?
B8 B2 B7 61.8(8) . . ?
C1 B2 B1 52.9(7) . . ?
B8 B2 B1 104.7(10) . . ?
B7 B2 B1 57.6(7) . . ?
C1 B2 B3 55.2(7) . . ?
B8 B2 B3 61.6(8) . . ?
B7 B2 B3 101.6(10) . . ?
B1 B2 B3 91.5(9) . . ?
C1 B2 H2 124.2 . . ?
B8 B2 H2 118.3 . . ?
B7 B2 H2 123.4 . . ?
B1 B2 H2 130.4 . . ?
B3 B2 H2 129.4 . . ?
C1 B3 B9 127.0(10) . . ?
C1 B3 B8 103.8(9) . . ?
B9 B3 B8 57.5(7) . . ?
C1 B3 B2 53.9(7) . . ?
B9 B3 B2 108.9(9) . . ?
B8 B3 B2 56.4(7) . . ?
C1 B3 B4 88.9(8) . . ?
B9 B3 B4 55.7(7) . . ?
B8 B3 B4 103.2(9) . . ?
B2 B3 B4 121.3(9) . . ?
C1 B3 H3 108.8 . . ?
B9 B3 H3 119.5 . . ?
B8 B3 H3 132.9 . . ?
B2 B3 H3 123.0 . . ?
B4 B3 H3 110.5 . . ?
C2 B4 B9 107.3(10) . . ?
C2 B4 B5 56.2(8) . . ?
B9 B4 B5 59.7(7) . . ?
C2 B4 B3 115.6(11) . . ?
B9 B4 B3 58.1(7) . . ?
B5 B4 B3 107.6(9) . . ?
C2 B4 H4A 126.8 . . ?
B9 B4 H4A 121.6 . . ?
B5 B4 H4A 134.9 . . ?
B3 B4 H4A 107.8 . . ?
C2 B5 B9 102.0(10) . . ?
C2 B5 B10 107.8(10) . . ?
B9 B5 B10 62.2(8) . . ?
C2 B5 B4 51.7(7) . . ?
B9 B5 B4 57.9(7) . . ?
B10 B5 B4 104.9(10) . . ?
C2 B5 B6 54.4(7) . . ?
B9 B5 B6 99.6(10) . . ?
B10 B5 B6 60.0(8) . . ?
B4 B5 B6 89.9(9) . . ?
C2 B5 H5A 125.3 . . ?
B9 B5 H5A 123.8 . . ?
B10 B5 H5A 118.8 . . ?
B4 B5 H5A 130.5 . . ?
B6 B5 H5A 131.0 . . ?
C2 B6 B7 127.3(10) . . ?
C2 B6 B10 104.7(10) . . ?
B7 B6 B10 57.9(7) . . ?
C2 B6 B5 53.6(7) . . ?
B7 B6 B5 109.9(9) . . ?
B10 B6 B5 57.4(7) . . ?
C2 B6 B1 89.4(8) . . ?
B7 B6 B1 55.5(7) . . ?
B10 B6 B1 104.3(9) . . ?
B5 B6 B1 122.4(9) . . ?
C2 B6 H6A 108.4 . . ?
B7 B6 H6A 119.4 . . ?
B10 B6 H6A 131.9 . . ?
B5 B6 H6A 122.3 . . ?
B1 B6 H6A 109.7 . . ?
B1 B7 B10 116.9(10) . . ?
B1 B7 B2 62.6(8) . . ?
B10 B7 B2 111.5(10) . . ?
B1 B7 B6 66.0(8) . . ?
B10 B7 B6 62.8(8) . . ?
B2 B7 B6 115.7(10) . . ?
B1 B7 B8 106.2(9) . . ?
B10 B7 B8 57.2(7) . . ?
B2 B7 B8 58.8(7) . . ?
B6 B7 B8 104.6(10) . . ?
B1 B7 H7A 117.1 . . ?
B10 B7 H7A 118.3 . . ?
B2 B7 H7A 118.2 . . ?
B6 B7 H7A 118.2 . . ?
B8 B7 H7A 127.9 . . ?
B10 B8 B2 114.7(10) . . ?
B10 B8 B9 64.5(8) . . ?
B2 B8 B9 116.1(10) . . ?
B10 B8 B7 59.9(8) . . ?
B2 B8 B7 59.4(7) . . ?
B9 B8 B7 108.3(10) . . ?
B10 B8 B3 108.8(10) . . ?
B2 B8 B3 62.0(8) . . ?
B9 B8 B3 59.9(8) . . ?
B7 B8 B3 100.3(9) . . ?
B10 B8 H8A 117.9 . . ?
B2 B8 H8A 116.1 . . ?
B9 B8 H8A 117.6 . . ?
B7 B8 H8A 126.6 . . ?
B3 B8 H8A 125.3 . . ?
B4 B9 B8 115.8(11) . . ?
B4 B9 B5 62.4(8) . . ?
B8 B9 B5 110.9(10) . . ?
B4 B9 B3 66.3(8) . . ?
B8 B9 B3 62.7(8) . . ?
B5 B9 B3 116.2(10) . . ?
B4 B9 B10 105.9(10) . . ?
B8 B9 B10 56.4(7) . . ?
B5 B9 B10 59.1(7) . . ?
B3 B9 B10 104.8(10) . . ?
B4 B9 H9 117.6 . . ?
B8 B9 H9 119.2 . . ?
B5 B9 H9 118.1 . . ?
B3 B9 H9 117.7 . . ?
B10 B9 H9 127.9 . . ?
B8 B10 B7 62.9(8) . . ?
B8 B10 B5 113.0(10) . . ?
B7 B10 B5 115.8(9) . . ?
B8 B10 B6 106.3(9) . . ?
B7 B10 B6 59.3(7) . . ?
B5 B10 B6 62.6(8) . . ?
B8 B10 B9 59.1(8) . . ?
B7 B10 B9 106.5(9) . . ?
B5 B10 B9 58.7(8) . . ?
B6 B10 B9 99.0(9) . . ?
B8 B10 H10A 119.8 . . ?
B7 B10 H10A 118.5 . . ?
B5 B10 H10A 116.2 . . ?
B6 B10 H10A 126.0 . . ?
B9 B10 H10A 127.6 . . ?
C31 B11 B20 122.7(10) . . ?
C31 B11 B17 102.1(10) . . ?
B20 B11 B17 57.2(8) . . ?
C31 B11 B12 53.8(7) . . ?
B20 B11 B12 107.5(10) . . ?
B17 B11 B12 55.9(8) . . ?
C31 B11 B16 85.8(8) . . ?
B20 B11 B16 54.7(7) . . ?
B17 B11 B16 101.8(9) . . ?
B12 B11 B16 119.1(9) . . ?
C31 B11 H11A 111.5 . . ?
B20 B11 H11A 120.9 . . ?
B17 B11 H11A 132.7 . . ?
B12 B11 H11A 123.2 . . ?
B16 B11 H11A 112.7 . . ?
C31 B12 B17 109.2(11) . . ?
C31 B12 B18 101.7(11) . . ?
B17 B12 B18 60.7(9) . . ?
C31 B12 B13 51.5(8) . . ?
B17 B12 B13 104.9(11) . . ?
B18 B12 B13 58.0(8) . . ?
C31 B12 B11 56.1(8) . . ?
B17 B12 B11 61.8(8) . . ?
B18 B12 B11 101.6(10) . . ?
B13 B12 B11 92.8(9) . . ?
C31 B12 H12A 125.0 . . ?
B17 B12 H12A 118.6 . . ?
B18 B12 H12A 124.2 . . ?
B13 B12 H12A 130.0 . . ?
B11 B12 H12A 128.3 . . ?
C31 B13 B18 106.4(11) . . ?
C31 B13 B12 56.1(9) . . ?
B18 B13 B12 58.9(8) . . ?
C31 B13 B14 115.7(10) . . ?
B18 B13 B14 58.7(8) . . ?
B12 B13 B14 107.8(9) . . ?
C31 B13 H13A 119.5 . . ?
B18 B13 H13A 121.4 . . ?
B12 B13 H13A 121.3 . . ?
B14 B13 H13A 120.0 . . ?
C32 B14 B18 124.6(9) . . ?
C32 B14 B15 53.4(7) . . ?
B18 B14 B15 107.8(9) . . ?
C32 B14 B19 102.9(9) . . ?
B18 B14 B19 57.5(7) . . ?
B15 B14 B19 56.1(8) . . ?
C32 B14 B13 88.1(8) . . ?
B18 B14 B13 55.1(7) . . ?
B15 B14 B13 120.6(9) . . ?
B19 B14 B13 103.4(9) . . ?
C32 B14 H14A 110.1 . . ?
B18 B14 H14A 120.5 . . ?
B15 B14 H14A 123.4 . . ?
B19 B14 H14A 132.4 . . ?
B13 B14 H14A 110.8 . . ?
C32 B15 B19 110.1(11) . . ?
C32 B15 B20 103.0(10) . . ?
B19 B15 B20 60.3(9) . . ?
C32 B15 B16 52.6(7) . . ?
B19 B15 B16 104.1(10) . . ?
B20 B15 B16 57.7(8) . . ?
C32 B15 B14 55.6(7) . . ?
B19 B15 B14 62.0(8) . . ?
B20 B15 B14 100.5(10) . . ?
B16 B15 B14 91.2(9) . . ?
C32 B15 H15 123.8 . . ?
B19 B15 H15 118.5 . . ?
B20 B15 H15 124.2 . . ?
B16 B15 H15 130.6 . . ?
B14 B15 H15 129.4 . . ?
C32 B16 B20 108.4(11) . . ?
C32 B16 B15 56.2(8) . . ?
B20 B16 B15 60.4(9) . . ?
C32 B16 B11 118.1(10) . . ?
B20 B16 B11 58.7(8) . . ?
B15 B16 B11 109.4(10) . . ?
C32 B16 H16A 114.3 . . ?
B20 B16 H16A 123.7 . . ?
B15 B16 H16A 119.7 . . ?
B11 B16 H16A 121.8 . . ?
B19 B17 B12 116.2(12) . . ?
B19 B17 B20 61.6(9) . . ?
B12 B17 B20 116.2(11) . . ?
B19 B17 B18 61.2(9) . . ?
B12 B17 B18 60.2(9) . . ?
B20 B17 B18 107.0(11) . . ?
B19 B17 B11 108.7(10) . . ?
B12 B17 B11 62.3(8) . . ?
B20 B17 B11 60.6(8) . . ?
B18 B17 B11 101.5(10) . . ?
B19 B17 H17A 118.1 . . ?
B12 B17 H17A 115.2 . . ?
B20 B17 H17A 119.0 . . ?
B18 B17 H17A 125.9 . . ?
B11 B17 H17A 124.5 . . ?
B13 B18 B12 63.1(9) . . ?
B13 B18 B17 107.4(10) . . ?
B12 B18 B17 59.0(9) . . ?
B13 B18 B19 117.0(10) . . ?
B12 B18 B19 112.4(10) . . ?
B17 B18 B19 58.2(9) . . ?
B13 B18 B14 66.3(8) . . ?
B12 B18 B14 117.2(9) . . ?
B17 B18 B14 107.1(10) . . ?
B19 B18 B14 63.1(8) . . ?
B13 B18 H18A 116.9 . . ?
B12 B18 H18A 117.6 . . ?
B17 B18 H18A 126.5 . . ?
B19 B18 H18A 118.0 . . ?
B14 B18 H18A 116.9 . . ?
B17 B19 B15 114.6(11) . . ?
B17 B19 B18 60.6(8) . . ?
B15 B19 B18 114.6(10) . . ?
B17 B19 B20 60.1(9) . . ?
B15 B19 B20 60.4(8) . . ?
B18 B19 B20 105.5(10) . . ?
B17 B19 B14 106.1(10) . . ?
B15 B19 B14 61.9(8) . . ?
B18 B19 B14 59.4(7) . . ?
B20 B19 B14 100.5(9) . . ?
B17 B19 H19A 119.8 . . ?
B15 B19 H19A 115.7 . . ?
B18 B19 H19A 120.3 . . ?
B20 B19 H19A 126.3 . . ?
B14 B19 H19A 125.7 . . ?
B16 B20 B17 115.3(11) . . ?
B16 B20 B19 106.5(10) . . ?
B17 B20 B19 58.3(9) . . ?
B16 B20 B15 61.9(8) . . ?
B17 B20 B15 112.0(11) . . ?
B19 B20 B15 59.3(8) . . ?
B16 B20 B11 66.6(8) . . ?
B17 B20 B11 62.2(8) . . ?
B19 B20 B11 107.3(10) . . ?
B15 B20 B11 117.1(10) . . ?
B16 B20 H20A 118.0 . . ?
B17 B20 H20A 118.9 . . ?
B19 B20 H20A 126.2 . . ?
B15 B20 H20A 117.9 . . ?
B11 B20 H20A 116.8 . . ?
C61 B21 B27 107.2(10) . . ?
C61 B21 B22 55.3(7) . . ?
B27 B21 B22 59.9(7) . . ?
C61 B21 B26 117.6(10) . . ?
B27 B21 B26 58.1(7) . . ?
B22 B21 B26 108.2(9) . . ?
C61 B21 H21 117.9 . . ?
B27 B21 H21 122.4 . . ?
B22 B21 H21 122.1 . . ?
B26 B21 H21 119.5 . . ?
C61 B22 B27 102.2(9) . . ?
C61 B22 B28 107.3(10) . . ?
B27 B22 B28 59.7(8) . . ?
C61 B22 B23 54.9(7) . . ?
B27 B22 B23 99.4(9) . . ?
B28 B22 B23 60.2(8) . . ?
C61 B22 B21 52.1(7) . . ?
B27 B22 B21 57.3(7) . . ?
B28 B22 B21 101.7(9) . . ?
B23 B22 B21 89.8(8) . . ?
C61 B22 H22A 124.7 . . ?
B27 B22 H22A 124.4 . . ?
B28 B22 H22A 120.6 . . ?
B23 B22 H22A 130.4 . . ?
B21 B22 H22A 131.5 . . ?
C61 B23 B29 126.5(10) . . ?
C61 B23 B28 105.9(10) . . ?
B29 B23 B28 54.4(8) . . ?
C61 B23 B22 54.4(7) . . ?
B29 B23 B22 108.8(9) . . ?
B28 B23 B22 59.1(8) . . ?
C61 B23 B24 89.2(8) . . ?
B29 B23 B24 54.9(7) . . ?
B28 B23 B24 100.6(9) . . ?
B22 B23 B24 122.0(9) . . ?
C61 B23 H23A 107.7 . . ?
B29 B23 H23A 121.2 . . ?
B28 B23 H23A 133.2 . . ?
B22 B23 H23A 121.3 . . ?
B24 B23 H23A 111.4 . . ?
C62 B24 B29 105.9(10) . . ?
C62 B24 B25 54.7(7) . . ?
B29 B24 B25 60.6(8) . . ?
C62 B24 B23 115.5(10) . . ?
B29 B24 B23 58.0(7) . . ?
B25 B24 B23 109.0(9) . . ?
C62 B24 H24A 125.3 . . ?
B29 B24 H24A 114.1 . . ?
B25 B24 H24A 118.1 . . ?
B23 B24 H24A 117.0 . . ?
C62 B25 B30 107.1(10) . . ?
C62 B25 B29 100.3(10) . . ?
B30 B25 B29 59.0(8) . . ?
C62 B25 B26 53.9(7) . . ?
B30 B25 B26 61.1(7) . . ?
B29 B25 B26 97.9(9) . . ?
C62 B25 B24 52.2(7) . . ?
B30 B25 B24 102.2(10) . . ?
B29 B25 B24 56.6(7) . . ?
B26 B25 B24 89.8(9) . . ?
C62 B25 H25A 125.5 . . ?
B30 B25 H25A 120.1 . . ?
B29 B25 H25A 126.0 . . ?
B26 B25 H25A 130.6 . . ?
B24 B25 H25A 131.1 . . ?
C62 B26 B27 125.7(10) . . ?
C62 B26 B30 104.5(9) . . ?
B27 B26 B30 58.1(7) . . ?
C62 B26 B25 54.8(7) . . ?
B27 B26 B25 110.3(9) . . ?
B30 B26 B25 57.3(7) . . ?
C62 B26 B21 87.6(8) . . ?
B27 B26 B21 54.7(7) . . ?
B30 B26 B21 103.2(9) . . ?
B25 B26 B21 122.2(9) . . ?
C62 B26 H26A 109.3 . . ?
B27 B26 H26A 119.7 . . ?
B30 B26 H26A 132.0 . . ?
B25 B26 H26A 121.4 . . ?
B21 B26 H26A 111.1 . . ?
B21 B27 B30 116.1(10) . . ?
B21 B27 B22 62.8(8) . . ?
B30 B27 B22 112.7(10) . . ?
B21 B27 B28 106.4(10) . . ?
B30 B27 B28 56.1(8) . . ?
B22 B27 B28 60.7(8) . . ?
B21 B27 B26 67.3(8) . . ?
B30 B27 B26 61.5(7) . . ?
B22 B27 B26 118.0(9) . . ?
B28 B27 B26 103.8(9) . . ?
B21 B27 H27 117.0 . . ?
B30 B27 H27 119.3 . . ?
B22 B27 H27 116.2 . . ?
B28 B27 H27 128.1 . . ?
B26 B27 H27 117.9 . . ?
B29 B28 B30 63.7(9) . . ?
B29 B28 B27 108.5(10) . . ?
B30 B28 B27 61.2(8) . . ?
B29 B28 B22 117.2(10) . . ?
B30 B28 B22 116.3(10) . . ?
B27 B28 B22 59.6(8) . . ?
B29 B28 B23 62.1(8) . . ?
B30 B28 B23 110.3(10) . . ?
B27 B28 B23 99.7(9) . . ?
B22 B28 B23 60.7(7) . . ?
B29 B28 H28 116.9 . . ?
B30 B28 H28 116.9 . . ?
B27 B28 H28 126.7 . . ?
B22 B28 H28 115.8 . . ?
B23 B28 H28 125.0 . . ?
B28 B29 B24 117.7(10) . . ?
B28 B29 B30 58.5(8) . . ?
B24 B29 B30 106.8(9) . . ?
B28 B29 B23 63.4(8) . . ?
B24 B29 B23 67.0(8) . . ?
B30 B29 B23 107.4(10) . . ?
B28 B29 B25 112.8(10) . . ?
B24 B29 B25 62.8(8) . . ?
B30 B29 B25 58.7(7) . . ?
B23 B29 B25 118.0(9) . . ?
B28 B29 H29 117.5 . . ?
B24 B29 H29 116.9 . . ?
B30 B29 H29 127.0 . . ?
B23 B29 H29 116.2 . . ?
B25 B29 H29 117.6 . . ?
B28 B30 B25 115.5(10) . . ?
B28 B30 B29 57.8(8) . . ?
B25 B30 B29 62.3(8) . . ?
B28 B30 B27 62.7(8) . . ?
B25 B30 B27 116.3(9) . . ?
B29 B30 B27 105.3(10) . . ?
B28 B30 B26 107.9(10) . . ?
B25 B30 B26 61.6(7) . . ?
B29 B30 B26 100.4(9) . . ?
B27 B30 B26 60.4(7) . . ?
B28 B30 H30 119.2 . . ?
B25 B30 H30 114.5 . . ?
B29 B30 H30 127.2 . . ?
B27 B30 H30 119.0 . . ?
B26 B30 H30 125.2 . . ?
C104 Co1 C103 41.3(5) . . ?
C104 Co1 C94 125.3(6) . . ?
C103 Co1 C94 107.4(6) . . ?
C104 Co1 C102 70.0(5) . . ?
C103 Co1 C102 41.9(5) . . ?
C94 Co1 C102 120.3(5) . . ?
C104 Co1 C93 107.2(6) . . ?
C103 Co1 C93 120.1(6) . . ?
C94 Co1 C93 40.5(6) . . ?
C102 Co1 C93 155.7(6) . . ?
C104 Co1 C101 69.0(5) . . ?
C103 Co1 C101 69.1(6) . . ?
C94 Co1 C101 155.5(6) . . ?
C102 Co1 C101 40.8(5) . . ?
C93 Co1 C101 162.5(6) . . ?
C104 Co1 C92 119.1(6) . . ?
C103 Co1 C92 154.6(6) . . ?
C94 Co1 C92 68.8(5) . . ?
C102 Co1 C92 162.0(5) . . ?
C93 Co1 C92 40.8(5) . . ?
C101 Co1 C92 124.9(5) . . ?
C104 Co1 C91 154.4(5) . . ?
C103 Co1 C91 163.1(6) . . ?
C94 Co1 C91 68.8(5) . . ?
C102 Co1 C91 124.6(6) . . ?
C93 Co1 C91 68.4(6) . . ?
C101 Co1 C91 107.1(6) . . ?
C92 Co1 C91 41.0(6) . . ?
C104 Co1 C95 164.1(6) . . ?
C103 Co1 C95 127.2(6) . . ?
C94 Co1 C95 40.9(5) . . ?
C102 Co1 C95 108.4(6) . . ?
C93 Co1 C95 67.3(6) . . ?
C101 Co1 C95 120.8(6) . . ?
C92 Co1 C95 67.3(6) . . ?
C91 Co1 C95 39.4(5) . . ?
C104 Co1 C105 40.7(5) . . ?
C103 Co1 C105 68.6(6) . . ?
C94 Co1 C105 162.6(5) . . ?
C102 Co1 C105 68.8(5) . . ?
C93 Co1 C105 125.7(6) . . ?
C101 Co1 C105 40.6(5) . . ?
C92 Co1 C105 107.1(5) . . ?
C91 Co1 C105 120.0(5) . . ?
C95 Co1 C105 154.6(5) . . ?
C95 C91 C92 107.4(12) . . ?
C95 C91 C96 127.5(14) . . ?
C92 C91 C96 125.0(13) . . ?
C95 C91 Co1 70.5(7) . . ?
C92 C91 Co1 69.2(7) . . ?
C96 C91 Co1 129.5(11) . . ?
C93 C92 C91 107.2(12) . . ?
C93 C92 C97 127.7(14) . . ?
C91 C92 C97 125.0(12) . . ?
C93 C92 Co1 69.3(7) . . ?
C91 C92 Co1 69.8(7) . . ?
C97 C92 Co1 128.9(11) . . ?
C94 C93 C92 108.9(12) . . ?
C94 C93 C98 125.9(13) . . ?
C92 C93 C98 125.1(14) . . ?
C94 C93 Co1 69.3(8) . . ?
C92 C93 Co1 69.9(7) . . ?
C98 C93 Co1 128.7(11) . . ?
C93 C94 C95 106.5(11) . . ?
C93 C94 C99 125.1(14) . . ?
C95 C94 C99 127.9(13) . . ?
C93 C94 Co1 70.2(8) . . ?
C95 C94 Co1 70.7(8) . . ?
C99 C94 Co1 130.5(11) . . ?
C91 C95 C94 109.9(12) . . ?
C91 C95 C100 126.5(13) . . ?
C94 C95 C100 123.6(12) . . ?
C91 C95 Co1 70.1(7) . . ?
C94 C95 Co1 68.4(7) . . ?
C100 C95 Co1 127.8(11) . . ?
C91 C96 H96A 109.5 . . ?
C91 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C91 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C92 C97 H97A 109.5 . . ?
C92 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C92 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C93 C98 H98A 109.5 . . ?
C93 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C93 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C94 C99 H99A 109.5 . . ?
C94 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C94 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C95 C100 H10B 109.5 . . ?
C95 C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C95 C100 H10D 109.5 . . ?
H10B C100 H10D 109.5 . . ?
H10C C100 H10D 109.5 . . ?
C102 C101 C105 108.7(11) . . ?
C102 C101 C106 125.6(12) . . ?
C105 C101 C106 125.4(12) . . ?
C102 C101 Co1 68.9(8) . . ?
C105 C101 Co1 70.4(8) . . ?
C106 C101 Co1 130.7(10) . . ?
C101 C102 C103 107.0(11) . . ?
C101 C102 C107 127.2(13) . . ?
C103 C102 C107 125.6(12) . . ?
C101 C102 Co1 70.3(7) . . ?
C103 C102 Co1 68.7(7) . . ?
C107 C102 Co1 129.9(11) . . ?
C104 C103 C102 107.9(11) . . ?
C104 C103 C108 125.1(13) . . ?
C102 C103 C108 126.9(12) . . ?
C104 C103 Co1 69.2(7) . . ?
C102 C103 Co1 69.4(7) . . ?
C108 C103 Co1 129.2(12) . . ?
C105 C104 C103 108.2(12) . . ?
C105 C104 C109 123.4(14) . . ?
C103 C104 C109 127.9(13) . . ?
C105 C104 Co1 71.5(8) . . ?
C103 C104 Co1 69.5(8) . . ?
C109 C104 Co1 131.1(11) . . ?
C104 C105 C101 108.0(12) . . ?
C104 C105 C110 126.8(13) . . ?
C101 C105 C110 125.2(12) . . ?
C104 C105 Co1 67.8(8) . . ?
C101 C105 Co1 69.0(8) . . ?
C110 C105 Co1 128.8(10) . . ?
C101 C106 H10E 109.5 . . ?
C101 C106 H10F 109.5 . . ?
H10E C106 H10F 109.5 . . ?
C101 C106 H10G 109.5 . . ?
H10E C106 H10G 109.5 . . ?
H10F C106 H10G 109.5 . . ?
C102 C107 H10H 109.5 . . ?
C102 C107 H10I 109.5 . . ?
H10H C107 H10I 109.5 . . ?
C102 C107 H10J 109.5 . . ?
H10H C107 H10J 109.5 . . ?
H10I C107 H10J 109.5 . . ?
C103 C108 H10K 109.5 . . ?
C103 C108 H10L 109.5 . . ?
H10K C108 H10L 109.5 . . ?
C103 C108 H10M 109.5 . . ?
H10K C108 H10M 109.5 . . ?
H10L C108 H10M 109.5 . . ?
C104 C109 H10N 109.5 . . ?
C104 C109 H10O 109.5 . . ?
H10N C109 H10O 109.5 . . ?
C104 C109 H10P 109.5 . . ?
H10N C109 H10P 109.5 . . ?
H10O C109 H10P 109.5 . . ?
C105 C110 H11N 109.5 . . ?
C105 C110 H11O 109.5 . . ?
H11N C110 H11O 109.5 . . ?
C105 C110 H11P 109.5 . . ?
H11N C110 H11P 109.5 . . ?
H11O C110 H11P 109.5 . . ?
C215 Co2 C211 41.8(10) . . ?
C215 Co2 C214 41.6(12) . . ?
C211 Co2 C214 70.0(14) . . ?
C125 Co2 C121 41.3(5) . . ?
C215 Co2 C212 69.9(13) . . ?
C211 Co2 C212 41.4(10) . . ?
C214 Co2 C212 69.5(13) . . ?
C125 Co2 C113 110.5(7) . . ?
C121 Co2 C113 137.5(7) . . ?
C215 Co2 C213 69.8(15) . . ?
C211 Co2 C213 69.6(12) . . ?
C214 Co2 C213 41.2(11) . . ?
C212 Co2 C213 41.0(10) . . ?
C125 Co2 C124 41.2(4) . . ?
C121 Co2 C124 69.2(7) . . ?
C113 Co2 C124 112.3(6) . . ?
C125 Co2 C122 69.2(7) . . ?
C121 Co2 C122 41.0(5) . . ?
C113 Co2 C122 178.1(7) . . ?
C124 Co2 C122 68.8(5) . . ?
C125 Co2 C112 113.9(7) . . ?
C121 Co2 C112 111.5(7) . . ?
C113 Co2 C112 40.9(3) . . ?
C124 Co2 C112 142.9(7) . . ?
C122 Co2 C112 137.3(7) . . ?
C125 Co2 C114 136.0(7) . . ?
C121 Co2 C114 177.3(7) . . ?
C113 Co2 C114 40.8(3) . . ?
C124 Co2 C114 109.0(6) . . ?
C122 Co2 C114 140.7(7) . . ?
C112 Co2 C114 68.5(3) . . ?
C115 C111 C112 108.0 . . ?
C115 C111 C116 127.9(12) . . ?
C112 C111 C116 123.9(12) . . ?
C115 C111 Co2 69.9(6) . . ?
C112 C111 Co2 68.9(6) . . ?
C116 C111 Co2 123.3(12) . . ?
C113 C112 C111 108.0 . . ?
C113 C112 C117 125.6(13) . . ?
C111 C112 C117 126.4(13) . . ?
C113 C112 Co2 69.1(6) . . ?
C111 C112 Co2 70.5(6) . . ?
C117 C112 Co2 127.5(12) . . ?
C114 C113 C112 108.0 . . ?
C114 C113 C118 126.0(13) . . ?
C112 C113 C118 125.8(13) . . ?
C114 C113 Co2 70.1(6) . . ?
C112 C113 Co2 70.0(5) . . ?
C118 C113 Co2 129.1(13) . . ?
C113 C114 C115 108.0 . . ?
C113 C114 C119 128.0(12) . . ?
C115 C114 C119 124.0(12) . . ?
C113 C114 Co2 69.0(6) . . ?
C115 C114 Co2 70.5(6) . . ?
C119 C114 Co2 125.6(12) . . ?
C111 C115 C114 108.0 . . ?
C111 C115 C120 126.1(12) . . ?
C114 C115 C120 125.9(12) . . ?
C111 C115 Co2 69.8(6) . . ?
C114 C115 Co2 69.0(5) . . ?
C120 C115 Co2 127.4(13) . . ?
C111 C116 H11B 109.5 . . ?
C111 C116 H11C 109.5 . . ?
H11B C116 H11C 109.5 . . ?
C111 C116 H11D 109.5 . . ?
H11B C116 H11D 109.5 . . ?
H11C C116 H11D 109.5 . . ?
C112 C117 H11E 109.5 . . ?
C112 C117 H11F 109.5 . . ?
H11E C117 H11F 109.5 . . ?
C112 C117 H11G 109.5 . . ?
H11E C117 H11G 109.5 . . ?
H11F C117 H11G 109.5 . . ?
C113 C118 H11H 109.5 . . ?
C113 C118 H11I 109.5 . . ?
H11H C118 H11I 109.5 . . ?
C113 C118 H11J 109.5 . . ?
H11H C118 H11J 109.5 . . ?
H11I C118 H11J 109.5 . . ?
C114 C119 H11K 109.5 . . ?
C114 C119 H11L 109.5 . . ?
H11K C119 H11L 109.5 . . ?
C114 C119 H11M 109.5 . . ?
H11K C119 H11M 109.5 . . ?
H11L C119 H11M 109.5 . . ?
C115 C120 H12B 109.5 . . ?
C115 C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C115 C120 H12D 109.5 . . ?
H12B C120 H12D 109.5 . . ?
H12C C120 H12D 109.5 . . ?
C215 C211 C212 108.0 . . ?
C215 C211 C216 126(4) . . ?
C212 C211 C216 126(4) . . ?
C215 C211 Co2 69(2) . . ?
C212 C211 Co2 70(2) . . ?
C216 C211 Co2 133(4) . . ?
C213 C212 C211 108.0 . . ?
C213 C212 C217 130(4) . . ?
C211 C212 C217 122(4) . . ?
C213 C212 Co2 70(2) . . ?
C211 C212 Co2 68(2) . . ?
C217 C212 Co2 127(4) . . ?
C212 C213 C214 108.0 . . ?
C212 C213 C218 110(5) . . ?
C214 C213 C218 142(5) . . ?
C212 C213 Co2 69(2) . . ?
C214 C213 Co2 69(2) . . ?
C218 C213 Co2 127(5) . . ?
C215 C214 C213 108.0 . . ?
C215 C214 C219 141(5) . . ?
C213 C214 C219 111(5) . . ?
C215 C214 Co2 68(2) . . ?
C213 C214 Co2 70(2) . . ?
C219 C214 Co2 132(5) . . ?
C214 C215 C211 108.0 . . ?
C214 C215 C220 138(5) . . ?
C211 C215 C220 112(5) . . ?
C214 C215 Co2 70(2) . . ?
C211 C215 Co2 69(2) . . ?
C220 C215 Co2 135(5) . . ?
C211 C216 H21A 109.5 . . ?
C211 C216 H21B 109.5 . . ?
H21A C216 H21B 109.5 . . ?
C211 C216 H21C 109.5 . . ?
H21A C216 H21C 109.5 . . ?
H21B C216 H21C 109.5 . . ?
C212 C217 H21D 109.5 . . ?
C212 C217 H21E 109.5 . . ?
H21D C217 H21E 109.5 . . ?
C212 C217 H21F 109.5 . . ?
H21D C217 H21F 109.5 . . ?
H21E C217 H21F 109.5 . . ?
C213 C218 H21G 109.5 . . ?
C213 C218 H21H 109.5 . . ?
H21G C218 H21H 109.5 . . ?
C213 C218 H21I 109.5 . . ?
H21G C218 H21I 109.5 . . ?
H21H C218 H21I 109.5 . . ?
C214 C219 H21J 109.5 . . ?
C214 C219 H21K 109.5 . . ?
H21J C219 H21K 109.5 . . ?
C214 C219 H21L 109.5 . . ?
H21J C219 H21L 109.5 . . ?
H21K C219 H21L 109.5 . . ?
C215 C220 H22B 109.5 . . ?
C215 C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C215 C220 H22D 109.5 . . ?
H22B C220 H22D 109.5 . . ?
H22C C220 H22D 109.5 . . ?
C122 C121 C125 108.0 . . ?
C122 C121 C126 123.8(18) . . ?
C125 C121 C126 128.0(19) . . ?
C122 C121 Co2 70.3(8) . . ?
C125 C121 Co2 69.2(8) . . ?
C126 C121 Co2 130(2) . . ?
C121 C122 C123 108.0 . . ?
C121 C122 C127 127.3(15) . . ?
C123 C122 C127 124.4(15) . . ?
C121 C122 Co2 68.6(9) . . ?
C123 C122 Co2 70.0(8) . . ?
C127 C122 Co2 132.2(19) . . ?
C124 C123 C122 108.0 . . ?
C124 C123 C128 125.9(15) . . ?
C122 C123 C128 126.0(15) . . ?
C124 C123 Co2 69.0(8) . . ?
C122 C123 Co2 69.3(8) . . ?
C128 C123 Co2 129.7(16) . . ?
C125 C124 C123 108.0 . . ?
C125 C124 C129 123.2(14) . . ?
C123 C124 C129 128.7(14) . . ?
C125 C124 Co2 68.7(9) . . ?
C123 C124 Co2 70.2(8) . . ?
C129 C124 Co2 128.7(15) . . ?
C124 C125 C121 108.0 . . ?
C124 C125 C130 128.0(15) . . ?
C121 C125 C130 123.9(15) . . ?
C124 C125 Co2 70.2(8) . . ?
C121 C125 Co2 69.5(8) . . ?
C130 C125 Co2 128.4(19) . . ?
C121 C126 H12E 109.5 . . ?
C121 C126 H12F 109.5 . . ?
H12E C126 H12F 109.5 . . ?
C121 C126 H12G 109.5 . . ?
H12E C126 H12G 109.5 . . ?
H12F C126 H12G 109.5 . . ?
C122 C127 H12H 109.5 . . ?
C122 C127 H12I 109.5 . . ?
H12H C127 H12I 109.5 . . ?
C122 C127 H12J 109.5 . . ?
H12H C127 H12J 109.5 . . ?
H12I C127 H12J 109.5 . . ?
C123 C128 H12K 109.5 . . ?
C123 C128 H12L 109.5 . . ?
H12K C128 H12L 109.5 . . ?
C123 C128 H12M 109.5 . . ?
H12K C128 H12M 109.5 . . ?
H12L C128 H12M 109.5 . . ?
C124 C129 H12N 109.5 . . ?
C124 C129 H12O 109.5 . . ?
H12N C129 H12O 109.5 . . ?
C124 C129 H12P 109.5 . . ?
H12N C129 H12P 109.5 . . ?
H12O C129 H12P 109.5 . . ?
C125 C130 H13B 109.5 . . ?
C125 C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C125 C130 H13D 109.5 . . ?
H13B C130 H13D 109.5 . . ?
H13C C130 H13D 109.5 . . ?
C225 C221 C222 108.0 . . ?
C225 C221 C226 129(4) . . ?
C222 C221 C226 123(4) . . ?
C225 C221 Co2 70.3(18) . . ?
C222 C221 Co2 68.8(17) . . ?
C226 C221 Co2 133(5) . . ?
C223 C222 C221 108.0 . . ?
C223 C222 C227 124(4) . . ?
C221 C222 C227 128(4) . . ?
C223 C222 Co2 69(2) . . ?
C221 C222 Co2 73(2) . . ?
C227 C222 Co2 129(4) . . ?
C224 C223 C222 108.0 . . ?
C224 C223 C228 122(4) . . ?
C222 C223 C228 130(4) . . ?
C224 C223 Co2 71.0(19) . . ?
C222 C223 Co2 72(2) . . ?
C228 C223 Co2 123(4) . . ?
C225 C224 C223 108.0 . . ?
C225 C224 C229 122(3) . . ?
C223 C224 C229 130(3) . . ?
C225 C224 Co2 73(2) . . ?
C223 C224 Co2 69.3(18) . . ?
C229 C224 Co2 122(4) . . ?
C221 C225 C224 108.0 . . ?
C221 C225 C230 125(4) . . ?
C224 C225 C230 126(4) . . ?
C221 C225 Co2 71(2) . . ?
C224 C225 Co2 68.3(19) . . ?
C230 C225 Co2 121(4) . . ?
C221 C226 H22E 109.5 . . ?
C221 C226 H22F 109.5 . . ?
H22E C226 H22F 109.5 . . ?
C221 C226 H22G 109.5 . . ?
H22E C226 H22G 109.5 . . ?
H22F C226 H22G 109.5 . . ?
C222 C227 H22H 109.5 . . ?
C222 C227 H22I 109.5 . . ?
H22H C227 H22I 109.5 . . ?
C222 C227 H22J 109.5 . . ?
H22H C227 H22J 109.5 . . ?
H22I C227 H22J 109.5 . . ?
C223 C228 H22K 109.5 . . ?
C223 C228 H22L 109.5 . . ?
H22K C228 H22L 109.5 . . ?
C223 C228 H22M 109.5 . . ?
H22K C228 H22M 109.5 . . ?
H22L C228 H22M 109.5 . . ?
C224 C229 H22N 109.5 . . ?
C224 C229 H22O 109.5 . . ?
H22N C229 H22O 109.5 . . ?
C224 C229 H22P 109.5 . . ?
H22N C229 H22P 109.5 . . ?
H22O C229 H22P 109.5 . . ?
C225 C230 H23B 109.5 . . ?
C225 C230 H23C 109.5 . . ?
H23B C230 H23C 109.5 . . ?
C225 C230 H23D 109.5 . . ?
H23B C230 H23D 109.5 . . ?
H23C C230 H23D 109.5 . . ?
C133 Co3 C132 42.5(6) . . ?
C133 Co3 C134 40.3(7) . . ?
C132 Co3 C134 70.2(6) . . ?
C133 Co3 C143 113.3(5) . . ?
C132 Co3 C143 142.7(5) . . ?
C134 Co3 C143 110.6(6) . . ?
C133 Co3 C131 69.5(6) . . ?
C132 Co3 C131 41.1(5) . . ?
C134 Co3 C131 69.5(6) . . ?
C143 Co3 C131 176.2(6) . . ?
C133 Co3 C142 144.5(6) . . ?
C132 Co3 C142 173.0(5) . . ?
C134 Co3 C142 115.5(6) . . ?
C143 Co3 C142 40.8(2) . . ?
C131 Co3 C142 135.5(6) . . ?
C133 Co3 C135 68.3(7) . . ?
C132 Co3 C135 69.0(6) . . ?
C134 Co3 C135 41.2(6) . . ?
C143 Co3 C135 137.2(6) . . ?
C131 Co3 C135 40.6(5) . . ?
C142 Co3 C135 112.2(6) . . ?
C133 Co3 C144 108.7(6) . . ?
C132 Co3 C144 110.9(5) . . ?
C134 Co3 C144 134.7(6) . . ?
C143 Co3 C144 40.7(2) . . ?
C131 Co3 C144 141.8(5) . . ?
C142 Co3 C144 68.4(3) . . ?
C135 Co3 C144 175.9(6) . . ?
C133 Co3 C141 173.5(7) . . ?
C132 Co3 C141 132.4(5) . . ?
C134 Co3 C141 145.9(7) . . ?
C143 Co3 C141 68.4(3) . . ?
C131 Co3 C141 109.3(5) . . ?
C142 Co3 C141 40.6(2) . . ?
C135 Co3 C141 115.2(6) . . ?
C144 Co3 C141 68.1(3) . . ?
C133 Co3 C145 133.6(7) . . ?
C132 Co3 C145 106.6(5) . . ?
C134 Co3 C145 173.5(7) . . ?
C143 Co3 C145 68.3(3) . . ?
C131 Co3 C145 112.0(5) . . ?
C142 Co3 C145 68.1(3) . . ?
C135 Co3 C145 143.7(6) . . ?
C144 Co3 C145 40.4(2) . . ?
C141 Co3 C145 40.3(2) . . ?
C133 Co3 C241 158.7(18) . . ?
C132 Co3 C241 138.8(15) . . ?
C134 Co3 C241 119.0(18) . . ?
C131 Co3 C241 101.2(14) . . ?
C135 Co3 C241 92.0(16) . . ?
C133 Co3 C245 161.5(19) . . ?
C132 Co3 C245 125.1(16) . . ?
C134 Co3 C245 158.1(19) . . ?
C131 Co3 C245 110.4(15) . . ?
C135 Co3 C245 124.4(18) . . ?
C241 Co3 C245 39.1(10) . . ?
C135 C131 C132 108.4(12) . . ?
C135 C131 C136 126.7(14) . . ?
C132 C131 C136 124.7(13) . . ?
C135 C131 Co3 69.9(8) . . ?
C132 C131 Co3 69.0(8) . . ?
C136 C131 Co3 131.1(10) . . ?
C131 C132 C133 105.8(13) . . ?
C131 C132 C137 125.9(12) . . ?
C133 C132 C137 128.2(13) . . ?
C131 C132 Co3 69.9(8) . . ?
C133 C132 Co3 68.0(8) . . ?
C137 C132 Co3 129.2(11) . . ?
C134 C133 C132 109.8(13) . . ?
C134 C133 C138 127.5(16) . . ?
C132 C133 C138 122.6(17) . . ?
C134 C133 Co3 70.9(9) . . ?
C132 C133 Co3 69.5(8) . . ?
C138 C133 Co3 128.3(14) . . ?
C133 C134 C135 107.0(13) . . ?
C133 C134 C139 126.0(18) . . ?
C135 C134 C139 126.9(18) . . ?
C133 C134 Co3 68.8(9) . . ?
C135 C134 Co3 69.8(8) . . ?
C139 C134 Co3 128.3(13) . . ?
C131 C135 C134 109.0(13) . . ?
C131 C135 C140 125.5(15) . . ?
C134 C135 C140 125.5(15) . . ?
C131 C135 Co3 69.5(7) . . ?
C134 C135 Co3 69.0(8) . . ?
C140 C135 Co3 127.0(13) . . ?
C131 C136 H13E 109.5 . . ?
C131 C136 H13F 109.5 . . ?
H13E C136 H13F 109.5 . . ?
C131 C136 H13G 109.5 . . ?
H13E C136 H13G 109.5 . . ?
H13F C136 H13G 109.5 . . ?
C132 C137 H13H 109.5 . . ?
C132 C137 H13I 109.5 . . ?
H13H C137 H13I 109.5 . . ?
C132 C137 H13J 109.5 . . ?
H13H C137 H13J 109.5 . . ?
H13I C137 H13J 109.5 . . ?
C133 C138 H13K 109.5 . . ?
C133 C138 H13L 109.5 . . ?
H13K C138 H13L 109.5 . . ?
C133 C138 H13M 109.5 . . ?
H13K C138 H13M 109.5 . . ?
H13L C138 H13M 109.5 . . ?
C134 C139 H13N 109.5 . . ?
C134 C139 H13O 109.5 . . ?
H13N C139 H13O 109.5 . . ?
C134 C139 H13P 109.5 . . ?
H13N C139 H13P 109.5 . . ?
H13O C139 H13P 109.5 . . ?
C135 C140 H14B 109.5 . . ?
C135 C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C135 C140 H14D 109.5 . . ?
H14B C140 H14D 109.5 . . ?
H14C C140 H14D 109.5 . . ?
C145 C141 C142 108.0 . . ?
C145 C141 C146 122.0(14) . . ?
C142 C141 C146 130.0(14) . . ?
C145 C141 Co3 70.0(5) . . ?
C142 C141 Co3 69.0(5) . . ?
C146 C141 Co3 127.8(12) . . ?
C143 C142 C141 108.0 . . ?
C143 C142 C147 128.3(13) . . ?
C141 C142 C147 123.7(13) . . ?
C143 C142 Co3 69.4(5) . . ?
C141 C142 Co3 70.4(5) . . ?
C147 C142 Co3 127.0(12) . . ?
C144 C143 C142 108.0 . . ?
C144 C143 C148 128.9(13) . . ?
C142 C143 C148 123.1(14) . . ?
C144 C143 Co3 70.2(5) . . ?
C142 C143 Co3 69.8(5) . . ?
C148 C143 Co3 127.5(14) . . ?
C145 C144 C143 108.0 . . ?
C145 C144 C149 126.6(13) . . ?
C143 C144 C149 125.4(13) . . ?
C145 C144 Co3 70.3(5) . . ?
C143 C144 Co3 69.1(5) . . ?
C149 C144 Co3 127.2(12) . . ?
C144 C145 C141 108.0 . . ?
C144 C145 C150 123.2(14) . . ?
C141 C145 C150 128.6(14) . . ?
C144 C145 Co3 69.2(5) . . ?
C141 C145 Co3 69.6(5) . . ?
C150 C145 Co3 131.1(12) . . ?
C141 C146 H14E 109.5 . . ?
C141 C146 H14F 109.5 . . ?
H14E C146 H14F 109.5 . . ?
C141 C146 H14G 109.5 . . ?
H14E C146 H14G 109.5 . . ?
H14F C146 H14G 109.5 . . ?
C142 C147 H14H 109.5 . . ?
C142 C147 H14I 109.5 . . ?
H14H C147 H14I 109.5 . . ?
C142 C147 H14J 109.5 . . ?
H14H C147 H14J 109.5 . . ?
H14I C147 H14J 109.5 . . ?
C143 C148 H14K 109.5 . . ?
C143 C148 H14L 109.5 . . ?
H14K C148 H14L 109.5 . . ?
C143 C148 H14M 109.5 . . ?
H14K C148 H14M 109.5 . . ?
H14L C148 H14M 109.5 . . ?
C144 C149 H14N 109.5 . . ?
C144 C149 H14O 109.5 . . ?
H14N C149 H14O 109.5 . . ?
C144 C149 H14P 109.5 . . ?
H14N C149 H14P 109.5 . . ?
H14O C149 H14P 109.5 . . ?
C145 C150 H15A 109.5 . . ?
C145 C150 H15B 109.5 . . ?
H15A C150 H15B 109.5 . . ?
C145 C150 H15C 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
C242 C241 C245 108.0 . . ?
C242 C241 C246 118(6) . . ?
C245 C241 C246 132(6) . . ?
C242 C241 Co3 71(3) . . ?
C245 C241 Co3 71(2) . . ?
C246 C241 Co3 136(6) . . ?
C241 C242 C243 108.0 . . ?
C241 C242 C247 127(6) . . ?
C243 C242 C247 122(6) . . ?
C241 C242 Co3 70(3) . . ?
C243 C242 Co3 71(2) . . ?
C247 C242 Co3 140(5) . . ?
C242 C243 C244 108.0 . . ?
C242 C243 C248 141(6) . . ?
C244 C243 C248 111(6) . . ?
C242 C243 Co3 70(2) . . ?
C244 C243 Co3 71(2) . . ?
C248 C243 Co3 122(8) . . ?
C245 C244 C243 108.0 . . ?
C245 C244 C249 114(6) . . ?
C243 C244 C249 136(6) . . ?
C245 C244 Co3 70(2) . . ?
C243 C244 Co3 71(3) . . ?
C249 C244 Co3 110(5) . . ?
C244 C245 C241 108.0 . . ?
C244 C245 C250 129(6) . . ?
C241 C245 C250 122(6) . . ?
C244 C245 Co3 71(2) . . ?
C241 C245 Co3 70(2) . . ?
C250 C245 Co3 130(6) . . ?
C241 C246 H24B 109.5 . . ?
C241 C246 H24C 109.5 . . ?
H24B C246 H24C 109.5 . . ?
C241 C246 H24D 109.5 . . ?
H24B C246 H24D 109.5 . . ?
H24C C246 H24D 109.5 . . ?
C242 C247 H24E 109.5 . . ?
C242 C247 H24F 109.5 . . ?
H24E C247 H24F 109.5 . . ?
C242 C247 H24G 109.5 . . ?
H24E C247 H24G 109.5 . . ?
H24F C247 H24G 109.5 . . ?
C243 C248 H24H 109.5 . . ?
C243 C248 H24I 109.5 . . ?
H24H C248 H24I 109.5 . . ?
C243 C248 H24J 109.5 . . ?
H24H C248 H24J 109.5 . . ?
H24I C248 H24J 109.5 . . ?
C244 C249 H24K 109.5 . . ?
C244 C249 H24L 109.5 . . ?
H24K C249 H24L 109.5 . . ?
C244 C249 H24M 109.5 . . ?
H24K C249 H24M 109.5 . . ?
H24L C249 H24M 109.5 . . ?
C245 C250 H25B 109.5 . . ?
C245 C250 H25C 109.5 . . ?
H25B C250 H25C 109.5 . . ?
C245 C250 H25D 109.5 . . ?
H25B C250 H25D 109.5 . . ?
H25C C250 H25D 109.5 . . ?
N1S C1S C2S 179(2) . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
N2S C3S C4S 178(2) . . ?
C3S C4S H4SA 109.5 . . ?
C3S C4S H4SB 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
C3S C4S H4SC 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?
N3S C5S C6S 170(9) . . ?
C5S C6S H6SA 109.5 . . ?
C5S C6S H6SB 109.5 . . ?
H6SA C6S H6SB 109.5 . . ?
C5S C6S H6SC 109.5 . . ?
H6SA C6S H6SC 109.5 . . ?
H6SB C6S H6SC 109.5 . . ?
N3T C5T C6T 176(5) . . ?
C5T C6T H6TA 109.5 . . ?
C5T C6T H6TB 109.5 . . ?
H6TA C6T H6TB 109.5 . . ?
C5T C6T H6TC 109.5 . . ?
H6TA C6T H6TC 109.5 . . ?
H6TB C6T H6TC 109.5 . . ?
N4S C7S C8S 178.3(18) . . ?
C7S C8S H8SA 109.5 . . ?
C7S C8S H8SB 109.5 . . ?
H8SA C8S H8SB 109.5 . . ?
C7S C8S H8SC 109.5 . . ?
H8SA C8S H8SC 109.5 . . ?
H8SB C8S H8SC 109.5 . . ?
N5S C9S C10S 165(4) . . ?
C9S C10S H10Q 109.5 . . ?
C9S C10S H10R 109.5 . . ?
H10Q C10S H10R 109.5 . . ?
C9S C10S H10S 109.5 . . ?
H10Q C10S H10S 109.5 . . ?
H10R C10S H10S 109.5 . . ?
N5T C9T C10T 162(8) . . ?
C9T C10T H10T 109.5 . . ?
C9T C10T H10U 109.5 . . ?
H10T C10T H10U 109.5 . . ?
C9T C10T H10V 109.5 . . ?
H10T C10T H10V 109.5 . . ?
H10U C10T H10V 109.5 . . ?
N6S C11S C12S 175(3) . . ?
C11S C12S H12Q 109.5 . . ?
C11S C12S H12R 109.5 . . ?
H12Q C12S H12R 109.5 . . ?
C11S C12S H12S 109.5 . . ?
H12Q C12S H12S 109.5 . . ?
H12R C12S H12S 109.5 . . ?
N7S C13S C14S 167(10) . . ?
C13S C14S H14Q 109.8 . . ?
C13S C14S H14R 108.8 . . ?
H14Q C14S H14R 109.5 . . ?
C13S C14S H14S 109.8 . . ?
H14Q C14S H14S 109.4 . . ?
H14R C14S H14S 109.5 . . ?
N7T C13T C14T 176(4) . . ?
C13T C14T H14T 109.4 . . ?
C13T C14T H14U 109.4 . . ?
H14T C14T H14U 109.5 . . ?
C13T C14T H14V 109.6 . . ?
H14T C14T H14V 109.5 . . ?
H14U C14T H14V 109.4 . . ?
N8S C15S C16S 162(6) . . ?
C15S C16S H16B 109.5 . . ?
C15S C16S H16C 109.5 . . ?
H16B C16S H16C 109.5 . . ?
C15S C16S H16D 109.5 . . ?
H16B C16S H16D 109.5 . . ?
H16C C16S H16D 109.5 . . ?
N8T C15T C16T 158(7) . . ?
C15T C16T H16E 109.5 . . ?
C15T C16T H16F 109.5 . . ?
H16E C16T H16F 109.5 . . ?
C15T C16T H16G 109.5 . . ?
H16E C16T H16G 109.5 . . ?
H16F C16T H16G 109.5 . . ?

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
C1 P1 O1 Sm1 9(3) . . . . ?
C3 P1 O1 Sm1 -111(2) . . . . ?
C9 P1 O1 Sm1 135(2) . . . . ?
C2 P2 O2 Sm1 23(3) . . . . ?
C21 P2 O2 Sm1 -98(2) . . . . ?
C15 P2 O2 Sm1 147(2) . . . . ?
C31 P3 O3 Sm1 -1(3) . . . . ?
C33 P3 O3 Sm1 -126(3) . . . . ?
C39 P3 O3 Sm1 119(3) . . . . ?
C32 P4 O4 Sm1 -5(3) . . . . ?
C51 P4 O4 Sm1 -130(2) . . . . ?
C45 P4 O4 Sm1 116(2) . . . . ?
C61 P5 O5 Sm1 29(2) . . . . ?
C69 P5 O5 Sm1 153(2) . . . . ?
C63 P5 O5 Sm1 -93(2) . . . . ?
C62 P6 O6 Sm1 19(3) . . . . ?
C81 P6 O6 Sm1 -101(2) . . . . ?
C75 P6 O6 Sm1 143(2) . . . . ?
O1 P1 C1 B1 -65.4(11) . . . . ?
C3 P1 C1 B1 53.8(11) . . . . ?
C9 P1 C1 B1 169.7(9) . . . . ?
O1 P1 C1 B2 -151.7(10) . . . . ?
C3 P1 C1 B2 -32.5(12) . . . . ?
C9 P1 C1 B2 83.5(12) . . . . ?
O1 P1 C1 B3 112.2(11) . . . . ?
C3 P1 C1 B3 -128.6(11) . . . . ?
C9 P1 C1 B3 -12.6(13) . . . . ?
O2 P2 C2 B4 -78.5(11) . . . . ?
C21 P2 C2 B4 42.7(12) . . . . ?
C15 P2 C2 B4 158.1(10) . . . . ?
O2 P2 C2 B5 -168.0(10) . . . . ?
C21 P2 C2 B5 -46.8(12) . . . . ?
C15 P2 C2 B5 68.6(12) . . . . ?
O2 P2 C2 B6 97.5(11) . . . . ?
C21 P2 C2 B6 -141.3(10) . . . . ?
C15 P2 C2 B6 -25.8(13) . . . . ?
O1 P1 C3 C8 -157.6(10) . . . . ?
C1 P1 C3 C8 78.7(12) . . . . ?
C9 P1 C3 C8 -40.9(12) . . . . ?
O1 P1 C3 C4 26.4(11) . . . . ?
C1 P1 C3 C4 -97.3(10) . . . . ?
C9 P1 C3 C4 143.1(10) . . . . ?
C8 C3 C4 C5 1.6(18) . . . . ?
P1 C3 C4 C5 178.0(10) . . . . ?
C3 C4 C5 C6 -1(2) . . . . ?
C4 C5 C6 C7 0(2) . . . . ?
C5 C6 C7 C8 1(2) . . . . ?
C6 C7 C8 C3 0(2) . . . . ?
C4 C3 C8 C7 -1.0(18) . . . . ?
P1 C3 C8 C7 -177.2(10) . . . . ?
O1 P1 C9 C14 -170.1(12) . . . . ?
C1 P1 C9 C14 -42.4(15) . . . . ?
C3 P1 C9 C14 74.7(14) . . . . ?
O1 P1 C9 C10 4.6(13) . . . . ?
C1 P1 C9 C10 132.3(11) . . . . ?
C3 P1 C9 C10 -110.7(11) . . . . ?
C14 C9 C10 C11 -2(2) . . . . ?
P1 C9 C10 C11 -177.1(11) . . . . ?
C9 C10 C11 C12 0(2) . . . . ?
C10 C11 C12 C13 2(3) . . . . ?
C11 C12 C13 C14 -1(3) . . . . ?
C10 C9 C14 C13 3(2) . . . . ?
P1 C9 C14 C13 177.8(12) . . . . ?
C12 C13 C14 C9 -2(2) . . . . ?
O2 P2 C15 C20 16.5(12) . . . . ?
C2 P2 C15 C20 142.9(10) . . . . ?
C21 P2 C15 C20 -100.0(10) . . . . ?
O2 P2 C15 C16 -164.4(10) . . . . ?
C2 P2 C15 C16 -38.0(13) . . . . ?
C21 P2 C15 C16 79.1(12) . . . . ?
C20 C15 C16 C17 0(2) . . . . ?
P2 C15 C16 C17 -178.7(10) . . . . ?
C15 C16 C17 C18 -1(2) . . . . ?
C16 C17 C18 C19 1(2) . . . . ?
C17 C18 C19 C20 -1(2) . . . . ?
C18 C19 C20 C15 0(2) . . . . ?
C16 C15 C20 C19 -0.1(19) . . . . ?
P2 C15 C20 C19 179.1(10) . . . . ?
O2 P2 C21 C22 -162.8(10) . . . . ?
C2 P2 C21 C22 72.7(11) . . . . ?
C15 P2 C21 C22 -46.2(11) . . . . ?
O2 P2 C21 C26 17.0(11) . . . . ?
C2 P2 C21 C26 -107.5(10) . . . . ?
C15 P2 C21 C26 133.6(10) . . . . ?
C26 C21 C22 C23 0.3(18) . . . . ?
P2 C21 C22 C23 -179.9(10) . . . . ?
C21 C22 C23 C24 0(2) . . . . ?
C22 C23 C24 C25 0(2) . . . . ?
C23 C24 C25 C26 1(2) . . . . ?
C24 C25 C26 C21 0(2) . . . . ?
C22 C21 C26 C25 -0.2(18) . . . . ?
P2 C21 C26 C25 180.0(10) . . . . ?
O3 P3 C31 B13 72.5(11) . . . . ?
C33 P3 C31 B13 -163.4(10) . . . . ?
C39 P3 C31 B13 -46.3(12) . . . . ?
O3 P3 C31 B12 160.0(11) . . . . ?
C33 P3 C31 B12 -76.0(13) . . . . ?
C39 P3 C31 B12 41.1(13) . . . . ?
O3 P3 C31 B11 -108.7(11) . . . . ?
C33 P3 C31 B11 15.3(13) . . . . ?
C39 P3 C31 B11 132.4(10) . . . . ?
O4 P4 C32 B16 71.2(10) . . . . ?
C51 P4 C32 B16 -165.2(9) . . . . ?
C45 P4 C32 B16 -48.9(11) . . . . ?
O4 P4 C32 B15 158.5(10) . . . . ?
C51 P4 C32 B15 -78.0(12) . . . . ?
C45 P4 C32 B15 38.3(13) . . . . ?
O4 P4 C32 B14 -107.9(10) . . . . ?
C51 P4 C32 B14 15.6(12) . . . . ?
C45 P4 C32 B14 131.9(10) . . . . ?
O3 P3 C33 C34 170.7(11) . . . . ?
C31 P3 C33 C34 44.3(14) . . . . ?
C39 P3 C33 C34 -73.6(13) . . . . ?
O3 P3 C33 C38 -7.8(12) . . . . ?
C31 P3 C33 C38 -134.1(10) . . . . ?
C39 P3 C33 C38 108.0(11) . . . . ?
C38 C33 C34 C35 -4(2) . . . . ?
P3 C33 C34 C35 177.6(11) . . . . ?
C33 C34 C35 C36 1(2) . . . . ?
C34 C35 C36 C37 2(2) . . . . ?
C35 C36 C37 C38 -1(2) . . . . ?
C36 C37 C38 C33 -3(2) . . . . ?
C34 C33 C38 C37 5(2) . . . . ?
P3 C33 C38 C37 -176.7(11) . . . . ?
O3 P3 C39 C44 -25.0(12) . . . . ?
C31 P3 C39 C44 97.8(11) . . . . ?
C33 P3 C39 C44 -142.3(10) . . . . ?
O3 P3 C39 C40 158.4(10) . . . . ?
C31 P3 C39 C40 -78.8(12) . . . . ?
C33 P3 C39 C40 41.1(12) . . . . ?
C44 C39 C40 C41 -1(2) . . . . ?
P3 C39 C40 C41 175.4(11) . . . . ?
C39 C40 C41 C42 3(2) . . . . ?
C40 C41 C42 C43 -3(2) . . . . ?
C41 C42 C43 C44 1(2) . . . . ?
C42 C43 C44 C39 0(2) . . . . ?
C40 C39 C44 C43 0(2) . . . . ?
P3 C39 C44 C43 -177.1(11) . . . . ?
O4 P4 C45 C50 152.6(11) . . . . ?
C32 P4 C45 C50 -83.3(12) . . . . ?
C51 P4 C45 C50 36.4(13) . . . . ?
O4 P4 C45 C46 -30.9(11) . . . . ?
C32 P4 C45 C46 93.3(11) . . . . ?
C51 P4 C45 C46 -147.1(10) . . . . ?
C50 C45 C46 C47 1(2) . . . . ?
P4 C45 C46 C47 -175.5(11) . . . . ?
C45 C46 C47 C48 -1(2) . . . . ?
C46 C47 C48 C49 0(2) . . . . ?
C47 C48 C49 C50 2(2) . . . . ?
C48 C49 C50 C45 -2(2) . . . . ?
C46 C45 C50 C49 0(2) . . . . ?
P4 C45 C50 C49 176.9(11) . . . . ?
O4 P4 C51 C52 -5.6(11) . . . . ?
C32 P4 C51 C52 -132.2(10) . . . . ?
C45 P4 C51 C52 109.9(10) . . . . ?
O4 P4 C51 C56 172.5(9) . . . . ?
C32 P4 C51 C56 45.9(11) . . . . ?
C45 P4 C51 C56 -72.0(11) . . . . ?
C56 C51 C52 C53 3.5(19) . . . . ?
P4 C51 C52 C53 -178.3(10) . . . . ?
C51 C52 C53 C54 -2(2) . . . . ?
C52 C53 C54 C55 1(2) . . . . ?
C53 C54 C55 C56 -1(2) . . . . ?
C54 C55 C56 C51 2(2) . . . . ?
C52 C51 C56 C55 -3.3(18) . . . . ?
P4 C51 C56 C55 178.6(10) . . . . ?
O5 P5 C61 B21 -74.8(10) . . . . ?
C69 P5 C61 B21 162.2(9) . . . . ?
C63 P5 C61 B21 47.1(11) . . . . ?
O5 P5 C61 B22 -164.8(9) . . . . ?
C69 P5 C61 B22 72.2(11) . . . . ?
C63 P5 C61 B22 -42.8(12) . . . . ?
O5 P5 C61 B23 99.7(11) . . . . ?
C69 P5 C61 B23 -23.3(12) . . . . ?
C63 P5 C61 B23 -138.3(10) . . . . ?
O6 P6 C62 B24 -68.0(10) . . . . ?
C81 P6 C62 B24 52.0(11) . . . . ?
C75 P6 C62 B24 169.4(9) . . . . ?
O6 P6 C62 B26 109.2(11) . . . . ?
C81 P6 C62 B26 -130.8(11) . . . . ?
C75 P6 C62 B26 -13.4(13) . . . . ?
O6 P6 C62 B25 -155.9(10) . . . . ?
C81 P6 C62 B25 -35.8(12) . . . . ?
C75 P6 C62 B25 81.6(12) . . . . ?
O5 P5 C63 C68 -162.7(10) . . . . ?
C61 P5 C63 C68 71.9(11) . . . . ?
C69 P5 C63 C68 -46.7(11) . . . . ?
O5 P5 C63 C64 18.7(11) . . . . ?
C61 P5 C63 C64 -106.6(10) . . . . ?
C69 P5 C63 C64 134.7(10) . . . . ?
C68 C63 C64 C65 1.3(19) . . . . ?
P5 C63 C64 C65 179.9(10) . . . . ?
C63 C64 C65 C66 0(2) . . . . ?
C64 C65 C66 C67 0(2) . . . . ?
C65 C66 C67 C68 0(2) . . . . ?
C64 C63 C68 C67 -1.4(18) . . . . ?
P5 C63 C68 C67 -180.0(10) . . . . ?
C66 C67 C68 C63 0.6(19) . . . . ?
O5 P5 C69 C70 -162.9(10) . . . . ?
C61 P5 C69 C70 -36.5(12) . . . . ?
C63 P5 C69 C70 80.9(11) . . . . ?
O5 P5 C69 C74 20.7(12) . . . . ?
C61 P5 C69 C74 147.1(10) . . . . ?
C63 P5 C69 C74 -95.5(11) . . . . ?
C74 C69 C70 C71 -3.2(19) . . . . ?
P5 C69 C70 C71 -179.5(10) . . . . ?
C69 C70 C71 C72 4(2) . . . . ?
C70 C71 C72 C73 -2(2) . . . . ?
C71 C72 C73 C74 0(2) . . . . ?
C72 C73 C74 C69 1(2) . . . . ?
C70 C69 C74 C73 0.8(19) . . . . ?
P5 C69 C74 C73 177.3(10) . . . . ?
O6 P6 C75 C76 6.9(11) . . . . ?
C62 P6 C75 C76 133.6(10) . . . . ?
C81 P6 C75 C76 -109.1(10) . . . . ?
O6 P6 C75 C80 -172.9(9) . . . . ?
C62 P6 C75 C80 -46.2(11) . . . . ?
C81 P6 C75 C80 71.1(10) . . . . ?
C80 C75 C76 C77 1.7(18) . . . . ?
P6 C75 C76 C77 -178.1(10) . . . . ?
C75 C76 C77 C78 -1(2) . . . . ?
C76 C77 C78 C79 1(2) . . . . ?
C77 C78 C79 C80 -1(2) . . . . ?
C78 C79 C80 C75 1(2) . . . . ?
C76 C75 C80 C79 -1.6(18) . . . . ?
P6 C75 C80 C79 178.2(10) . . . . ?
O6 P6 C81 C82 21.6(10) . . . . ?
C62 P6 C81 C82 -102.8(10) . . . . ?
C75 P6 C81 C82 137.4(9) . . . . ?
O6 P6 C81 C86 -159.9(9) . . . . ?
C62 P6 C81 C86 75.7(11) . . . . ?
C75 P6 C81 C86 -44.1(11) . . . . ?
C86 C81 C82 C83 0.4(17) . . . . ?
P6 C81 C82 C83 179.1(9) . . . . ?
C81 C82 C83 C84 -0.1(19) . . . . ?
C82 C83 C84 C85 0(2) . . . . ?
C83 C84 C85 C86 1(2) . . . . ?
C84 C85 C86 C81 0(2) . . . . ?
C82 C81 C86 C85 -0.2(17) . . . . ?
P6 C81 C86 C85 -178.8(10) . . . . ?
B2 C1 B1 B7 -31.1(10) . . . . ?
B3 C1 B1 B7 27.2(14) . . . . ?
P1 C1 B1 B7 -154.7(9) . . . . ?
B3 C1 B1 B2 58.3(10) . . . . ?
P1 C1 B1 B2 -123.7(10) . . . . ?
B2 C1 B1 B6 -94.0(11) . . . . ?
B3 C1 B1 B6 -35.7(14) . . . . ?
P1 C1 B1 B6 142.3(8) . . . . ?
B1 C1 B2 B8 94.0(11) . . . . ?
B3 C1 B2 B8 -30.5(10) . . . . ?
P1 C1 B2 B8 -156.2(9) . . . . ?
B1 C1 B2 B7 29.6(10) . . . . ?
B3 C1 B2 B7 -94.9(10) . . . . ?
P1 C1 B2 B7 139.3(10) . . . . ?
B3 C1 B2 B1 -124.5(10) . . . . ?
P1 C1 B2 B1 109.7(12) . . . . ?
B1 C1 B2 B3 124.5(10) . . . . ?
P1 C1 B2 B3 -125.7(12) . . . . ?
B7 B1 B2 C1 145.3(12) . . . . ?
B6 B1 B2 C1 110.1(11) . . . . ?
C1 B1 B2 B8 -103.5(11) . . . . ?
B7 B1 B2 B8 41.8(9) . . . . ?
B6 B1 B2 B8 6.6(12) . . . . ?
C1 B1 B2 B7 -145.3(12) . . . . ?
B6 B1 B2 B7 -35.2(9) . . . . ?
C1 B1 B2 B3 -42.6(8) . . . . ?
B7 B1 B2 B3 102.8(9) . . . . ?
B6 B1 B2 B3 67.6(10) . . . . ?
B1 C1 B3 B9 28.8(16) . . . . ?
B2 C1 B3 B9 87.3(13) . . . . ?
P1 C1 B3 B9 -148.9(10) . . . . ?
B1 C1 B3 B8 -30.6(13) . . . . ?
B2 C1 B3 B8 27.8(9) . . . . ?
P1 C1 B3 B8 151.7(9) . . . . ?
B1 C1 B3 B2 -58.4(10) . . . . ?
P1 C1 B3 B2 123.9(12) . . . . ?
B1 C1 B3 B4 72.7(11) . . . . ?
B2 C1 B3 B4 131.1(9) . . . . ?
P1 C1 B3 B4 -105.0(10) . . . . ?
B8 B2 B3 C1 147.0(10) . . . . ?
B7 B2 B3 C1 98.3(10) . . . . ?
B1 B2 B3 C1 41.1(8) . . . . ?
C1 B2 B3 B9 -122.5(11) . . . . ?
B8 B2 B3 B9 24.5(9) . . . . ?
B7 B2 B3 B9 -24.2(11) . . . . ?
B1 B2 B3 B9 -81.4(10) . . . . ?
C1 B2 B3 B8 -147.0(10) . . . . ?
B7 B2 B3 B8 -48.7(8) . . . . ?
B1 B2 B3 B8 -105.9(9) . . . . ?
C1 B2 B3 B4 -61.8(10) . . . . ?
B8 B2 B3 B4 85.2(11) . . . . ?
B7 B2 B3 B4 36.5(12) . . . . ?
B1 B2 B3 B4 -20.7(11) . . . . ?
B5 C2 B4 B9 -32.4(11) . . . . ?
B6 C2 B4 B9 27.3(15) . . . . ?
P2 C2 B4 B9 -156.2(9) . . . . ?
B6 C2 B4 B5 59.7(10) . . . . ?
P2 C2 B4 B5 -123.8(12) . . . . ?
B5 C2 B4 B3 -94.7(11) . . . . ?
B6 C2 B4 B3 -35.0(14) . . . . ?
P2 C2 B4 B3 141.5(9) . . . . ?
B4 C2 B5 B9 30.9(10) . . . . ?
B6 C2 B5 B9 -93.3(10) . . . . ?
P2 C2 B5 B9 144.7(10) . . . . ?
B4 C2 B5 B10 95.2(11) . . . . ?
B6 C2 B5 B10 -29.0(9) . . . . ?
P2 C2 B5 B10 -150.9(9) . . . . ?
B6 C2 B5 B4 -124.2(10) . . . . ?
P2 C2 B5 B4 113.9(13) . . . . ?
B4 C2 B5 B6 124.2(10) . . . . ?
P2 C2 B5 B6 -121.9(12) . . . . ?
B9 B4 B5 C2 143.7(12) . . . . ?
B3 B4 B5 C2 109.5(11) . . . . ?
C2 B4 B5 B9 -143.7(12) . . . . ?
B3 B4 B5 B9 -34.2(9) . . . . ?
C2 B4 B5 B10 -101.2(11) . . . . ?
B9 B4 B5 B10 42.5(9) . . . . ?
B3 B4 B5 B10 8.3(12) . . . . ?
C2 B4 B5 B6 -42.3(8) . . . . ?
B9 B4 B5 B6 101.4(10) . . . . ?
B3 B4 B5 B6 67.1(10) . . . . ?
B4 C2 B6 B7 28.5(17) . . . . ?
B5 C2 B6 B7 88.3(13) . . . . ?
P2 C2 B6 B7 -147.7(10) . . . . ?
B4 C2 B6 B10 -32.1(13) . . . . ?
B5 C2 B6 B10 27.7(9) . . . . ?
P2 C2 B6 B10 151.7(9) . . . . ?
B4 C2 B6 B5 -59.8(11) . . . . ?
P2 C2 B6 B5 124.0(12) . . . . ?
B4 C2 B6 B1 72.5(11) . . . . ?
B5 C2 B6 B1 132.3(9) . . . . ?
P2 C2 B6 B1 -103.7(10) . . . . ?
C1 B1 B7 B10 -72.0(13) . . . . ?
B2 B1 B7 B10 -101.6(11) . . . . ?
B6 B1 B7 B10 38.2(10) . . . . ?
C1 B1 B7 B2 29.6(10) . . . . ?
B6 B1 B7 B2 139.8(10) . . . . ?
C1 B1 B7 B6 -110.1(11) . . . . ?
B2 B1 B7 B6 -139.8(10) . . . . ?
C1 B1 B7 B8 -11.0(14) . . . . ?
B2 B1 B7 B8 -40.7(9) . . . . ?
B6 B1 B7 B8 99.1(10) . . . . ?
C1 B2 B7 B1 -27.8(9) . . . . ?
B8 B2 B7 B1 -133.0(10) . . . . ?
B3 B2 B7 B1 -84.4(9) . . . . ?
C1 B2 B7 B10 82.3(11) . . . . ?
B8 B2 B7 B10 -22.9(9) . . . . ?
B1 B2 B7 B10 110.1(11) . . . . ?
B3 B2 B7 B10 25.7(11) . . . . ?
C1 B2 B7 B6 13.1(14) . . . . ?
B8 B2 B7 B6 -92.1(11) . . . . ?
B1 B2 B7 B6 40.9(10) . . . . ?
B3 B2 B7 B6 -43.5(12) . . . . ?
C1 B2 B7 B8 105.2(11) . . . . ?
B1 B2 B7 B8 133.0(10) . . . . ?
B3 B2 B7 B8 48.6(8) . . . . ?
C2 B6 B7 B1 57.5(13) . . . . ?
B10 B6 B7 B1 141.7(10) . . . . ?
B5 B6 B7 B1 116.3(10) . . . . ?
C2 B6 B7 B10 -84.2(13) . . . . ?
B5 B6 B7 B10 -25.4(9) . . . . ?
B1 B6 B7 B10 -141.7(10) . . . . ?
C2 B6 B7 B2 17.9(17) . . . . ?
B10 B6 B7 B2 102.2(11) . . . . ?
B5 B6 B7 B2 76.8(12) . . . . ?
B1 B6 B7 B2 -39.5(10) . . . . ?
C2 B6 B7 B8 -44.1(15) . . . . ?
B10 B6 B7 B8 40.2(8) . . . . ?
B5 B6 B7 B8 14.8(11) . . . . ?
B1 B6 B7 B8 -101.5(10) . . . . ?
C1 B2 B8 B10 -70.8(13) . . . . ?
B7 B2 B8 B10 24.2(10) . . . . ?
B1 B2 B8 B10 -15.5(13) . . . . ?
B3 B2 B8 B10 -99.1(11) . . . . ?
C1 B2 B8 B9 1.6(14) . . . . ?
B7 B2 B8 B9 96.7(11) . . . . ?
B1 B2 B8 B9 57.0(12) . . . . ?
B3 B2 B8 B9 -26.7(10) . . . . ?
C1 B2 B8 B7 -95.0(11) . . . . ?
B1 B2 B8 B7 -39.7(8) . . . . ?
B3 B2 B8 B7 -123.3(9) . . . . ?
C1 B2 B8 B3 28.3(9) . . . . ?
B7 B2 B8 B3 123.3(9) . . . . ?
B1 B2 B8 B3 83.6(9) . . . . ?
B1 B7 B8 B10 -111.9(11) . . . . ?
B2 B7 B8 B10 -154.5(10) . . . . ?
B6 B7 B8 B10 -43.1(9) . . . . ?
B1 B7 B8 B2 42.6(9) . . . . ?
B10 B7 B8 B2 154.5(10) . . . . ?
B6 B7 B8 B2 111.4(10) . . . . ?
B1 B7 B8 B9 -67.5(12) . . . . ?
B10 B7 B8 B9 44.4(9) . . . . ?
B2 B7 B8 B9 -110.1(10) . . . . ?
B6 B7 B8 B9 1.3(11) . . . . ?
B1 B7 B8 B3 -6.0(12) . . . . ?
B10 B7 B8 B3 105.9(10) . . . . ?
B2 B7 B8 B3 -48.6(9) . . . . ?
B6 B7 B8 B3 62.8(10) . . . . ?
C1 B3 B8 B10 81.7(11) . . . . ?
B9 B3 B8 B10 -43.7(9) . . . . ?
B2 B3 B8 B10 108.6(11) . . . . ?
B4 B3 B8 B10 -10.4(12) . . . . ?
C1 B3 B8 B2 -26.9(9) . . . . ?
B9 B3 B8 B2 -152.2(10) . . . . ?
B4 B3 B8 B2 -119.0(9) . . . . ?
C1 B3 B8 B9 125.4(10) . . . . ?
B2 B3 B8 B9 152.2(10) . . . . ?
B4 B3 B8 B9 33.3(9) . . . . ?
C1 B3 B8 B7 20.1(12) . . . . ?
B9 B3 B8 B7 -105.2(10) . . . . ?
B2 B3 B8 B7 47.0(8) . . . . ?
B4 B3 B8 B7 -72.0(10) . . . . ?
C2 B4 B9 B8 -70.1(14) . . . . ?
B5 B4 B9 B8 -101.2(12) . . . . ?
B3 B4 B9 B8 39.6(10) . . . . ?
C2 B4 B9 B5 31.0(10) . . . . ?
B3 B4 B9 B5 140.8(10) . . . . ?
C2 B4 B9 B3 -109.8(11) . . . . ?
B5 B4 B9 B3 -140.8(10) . . . . ?
C2 B4 B9 B10 -10.2(14) . . . . ?
B5 B4 B9 B10 -41.3(9) . . . . ?
B3 B4 B9 B10 99.5(10) . . . . ?
B10 B8 B9 B4 92.5(11) . . . . ?
B2 B8 B9 B4 -13.8(15) . . . . ?
B7 B8 B9 B4 50.4(13) . . . . ?
B3 B8 B9 B4 -41.1(10) . . . . ?
B10 B8 B9 B5 24.1(9) . . . . ?
B2 B8 B9 B5 -82.3(12) . . . . ?
B7 B8 B9 B5 -18.0(12) . . . . ?
B3 B8 B9 B5 -109.6(11) . . . . ?
B10 B8 B9 B3 133.6(9) . . . . ?
B2 B8 B9 B3 27.3(10) . . . . ?
B7 B8 B9 B3 91.5(9) . . . . ?
B2 B8 B9 B10 -106.4(11) . . . . ?
B7 B8 B9 B10 -42.1(8) . . . . ?
B3 B8 B9 B10 -133.6(9) . . . . ?
C2 B5 B9 B4 -28.4(9) . . . . ?
B10 B5 B9 B4 -132.4(10) . . . . ?
B6 B5 B9 B4 -83.8(9) . . . . ?
C2 B5 B9 B8 80.7(11) . . . . ?
B10 B5 B9 B8 -23.3(9) . . . . ?
B4 B5 B9 B8 109.0(11) . . . . ?
B6 B5 B9 B8 25.2(11) . . . . ?
C2 B5 B9 B3 11.8(14) . . . . ?
B10 B5 B9 B3 -92.2(11) . . . . ?
B4 B5 B9 B3 40.2(10) . . . . ?
B6 B5 B9 B3 -43.7(12) . . . . ?
C2 B5 B9 B10 104.0(10) . . . . ?
B4 B5 B9 B10 132.4(10) . . . . ?
B6 B5 B9 B10 48.5(8) . . . . ?
C1 B3 B9 B4 57.0(12) . . . . ?
B8 B3 B9 B4 139.7(10) . . . . ?
B2 B3 B9 B4 115.5(10) . . . . ?
C1 B3 B9 B8 -82.7(12) . . . . ?
B2 B3 B9 B8 -24.2(9) . . . . ?
B4 B3 B9 B8 -139.7(10) . . . . ?
C1 B3 B9 B5 18.4(17) . . . . ?
B8 B3 B9 B5 101.1(12) . . . . ?
B2 B3 B9 B5 76.9(12) . . . . ?
B4 B3 B9 B5 -38.6(10) . . . . ?
C1 B3 B9 B10 -44.1(15) . . . . ?
B8 B3 B9 B10 38.6(8) . . . . ?
B2 B3 B9 B10 14.4(12) . . . . ?
B4 B3 B9 B10 -101.1(10) . . . . ?
B2 B8 B10 B7 -24.1(10) . . . . ?
B9 B8 B10 B7 -132.6(9) . . . . ?
B3 B8 B10 B7 -91.2(10) . . . . ?
B2 B8 B10 B5 84.2(12) . . . . ?
B9 B8 B10 B5 -24.3(10) . . . . ?
B7 B8 B10 B5 108.3(10) . . . . ?
B3 B8 B10 B5 17.1(13) . . . . ?
B2 B8 B10 B6 17.6(13) . . . . ?
B9 B8 B10 B6 -90.9(10) . . . . ?
B7 B8 B10 B6 41.7(9) . . . . ?
B3 B8 B10 B6 -49.5(12) . . . . ?
B2 B8 B10 B9 108.5(11) . . . . ?
B7 B8 B10 B9 132.6(9) . . . . ?
B3 B8 B10 B9 41.4(9) . . . . ?
B1 B7 B10 B8 92.6(11) . . . . ?
B2 B7 B10 B8 23.3(9) . . . . ?
B6 B7 B10 B8 132.0(9) . . . . ?
B1 B7 B10 B5 -11.3(15) . . . . ?
B2 B7 B10 B5 -80.6(12) . . . . ?
B6 B7 B10 B5 28.1(10) . . . . ?
B8 B7 B10 B5 -103.9(11) . . . . ?
B1 B7 B10 B6 -39.4(10) . . . . ?
B2 B7 B10 B6 -108.7(10) . . . . ?
B8 B7 B10 B6 -132.0(9) . . . . ?
B1 B7 B10 B9 51.5(13) . . . . ?
B2 B7 B10 B9 -17.8(12) . . . . ?
B6 B7 B10 B9 90.9(9) . . . . ?
B8 B7 B10 B9 -41.1(8) . . . . ?
C2 B5 B10 B8 -69.9(12) . . . . ?
B9 B5 B10 B8 24.4(10) . . . . ?
B4 B5 B10 B8 -15.9(13) . . . . ?
B6 B5 B10 B8 -97.0(10) . . . . ?
C2 B5 B10 B7 -0.1(14) . . . . ?
B9 B5 B10 B7 94.3(11) . . . . ?
B4 B5 B10 B7 53.9(13) . . . . ?
B6 B5 B10 B7 -27.2(9) . . . . ?
C2 B5 B10 B6 27.1(9) . . . . ?
B9 B5 B10 B6 121.5(9) . . . . ?
B4 B5 B10 B6 81.1(9) . . . . ?
C2 B5 B10 B9 -94.4(10) . . . . ?
B4 B5 B10 B9 -40.4(9) . . . . ?
B6 B5 B10 B9 -121.5(9) . . . . ?
C2 B6 B10 B8 81.5(11) . . . . ?
B7 B6 B10 B8 -43.5(9) . . . . ?
B5 B6 B10 B8 107.9(10) . . . . ?
B1 B6 B10 B8 -11.7(12) . . . . ?
C2 B6 B10 B7 125.1(11) . . . . ?
B5 B6 B10 B7 151.4(10) . . . . ?
B1 B6 B10 B7 31.8(8) . . . . ?
C2 B6 B10 B5 -26.3(9) . . . . ?
B7 B6 B10 B5 -151.4(10) . . . . ?
B1 B6 B10 B5 -119.6(10) . . . . ?
C2 B6 B10 B9 21.2(11) . . . . ?
B7 B6 B10 B9 -103.8(10) . . . . ?
B5 B6 B10 B9 47.6(8) . . . . ?
B1 B6 B10 B9 -72.0(10) . . . . ?
B4 B9 B10 B8 -110.7(11) . . . . ?
B5 B9 B10 B8 -153.6(10) . . . . ?
B3 B9 B10 B8 -41.7(9) . . . . ?
B4 B9 B10 B7 -67.7(12) . . . . ?
B8 B9 B10 B7 43.1(9) . . . . ?
B5 B9 B10 B7 -110.6(10) . . . . ?
B3 B9 B10 B7 1.4(12) . . . . ?
B4 B9 B10 B5 42.9(9) . . . . ?
B8 B9 B10 B5 153.6(10) . . . . ?
B3 B9 B10 B5 112.0(10) . . . . ?
B4 B9 B10 B6 -7.1(12) . . . . ?
B8 B9 B10 B6 103.6(9) . . . . ?
B5 B9 B10 B6 -50.0(9) . . . . ?
B3 B9 B10 B6 61.9(10) . . . . ?
B13 C31 B11 B20 -31.0(17) . . . . ?
B12 C31 B11 B20 -88.5(13) . . . . ?
P3 C31 B11 B20 150.3(10) . . . . ?
B13 C31 B11 B17 27.6(14) . . . . ?
B12 C31 B11 B17 -29.9(10) . . . . ?
P3 C31 B11 B17 -151.1(10) . . . . ?
B13 C31 B11 B12 57.5(11) . . . . ?
P3 C31 B11 B12 -121.2(13) . . . . ?
B13 C31 B11 B16 -73.6(12) . . . . ?
B12 C31 B11 B16 -131.1(10) . . . . ?
P3 C31 B11 B16 107.7(10) . . . . ?
B13 C31 B12 B17 -94.1(12) . . . . ?
B11 C31 B12 B17 33.3(10) . . . . ?
P3 C31 B12 B17 154.8(10) . . . . ?
B13 C31 B12 B18 -31.2(10) . . . . ?
B11 C31 B12 B18 96.2(10) . . . . ?
P3 C31 B12 B18 -142.3(10) . . . . ?
B11 C31 B12 B13 127.4(10) . . . . ?
P3 C31 B12 B13 -111.1(12) . . . . ?
B13 C31 B12 B11 -127.4(10) . . . . ?
P3 C31 B12 B11 121.5(13) . . . . ?
B20 B11 B12 C31 118.1(11) . . . . ?
B17 B11 B12 C31 143.9(12) . . . . ?
B16 B11 B12 C31 59.4(11) . . . . ?
C31 B11 B12 B17 -143.9(12) . . . . ?
B20 B11 B12 B17 -25.8(10) . . . . ?
B16 B11 B12 B17 -84.6(11) . . . . ?
C31 B11 B12 B18 -96.4(11) . . . . ?
B20 B11 B12 B18 21.7(12) . . . . ?
B17 B11 B12 B18 47.5(9) . . . . ?
B16 B11 B12 B18 -37.1(13) . . . . ?
C31 B11 B12 B13 -38.5(9) . . . . ?
B20 B11 B12 B13 79.6(11) . . . . ?
B17 B11 B12 B13 105.4(10) . . . . ?
B16 B11 B12 B13 20.8(13) . . . . ?
B12 C31 B13 B18 32.3(10) . . . . ?
B11 C31 B13 B18 -24.0(14) . . . . ?
P3 C31 B13 B18 154.8(9) . . . . ?
B11 C31 B13 B12 -56.3(11) . . . . ?
P3 C31 B13 B12 122.6(11) . . . . ?
B12 C31 B13 B14 94.9(11) . . . . ?
B11 C31 B13 B14 38.6(15) . . . . ?
P3 C31 B13 B14 -142.6(9) . . . . ?
B17 B12 B13 C31 102.9(11) . . . . ?
B18 B12 B13 C31 143.3(11) . . . . ?
B11 B12 B13 C31 41.3(9) . . . . ?
C31 B12 B13 B18 -143.3(11) . . . . ?
B17 B12 B13 B18 -40.4(9) . . . . ?
B11 B12 B13 B18 -101.9(10) . . . . ?
C31 B12 B13 B14 -109.4(11) . . . . ?
B17 B12 B13 B14 -6.5(13) . . . . ?
B18 B12 B13 B14 33.8(9) . . . . ?
B11 B12 B13 B14 -68.1(10) . . . . ?
B16 C32 B14 B18 -28.3(16) . . . . ?
B15 C32 B14 B18 -87.1(13) . . . . ?
P4 C32 B14 B18 150.9(10) . . . . ?
B16 C32 B14 B15 58.9(10) . . . . ?
P4 C32 B14 B15 -121.9(12) . . . . ?
B16 C32 B14 B19 30.9(12) . . . . ?
B15 C32 B14 B19 -27.9(9) . . . . ?
P4 C32 B14 B19 -149.9(9) . . . . ?
B16 C32 B14 B13 -72.3(11) . . . . ?
B15 C32 B14 B13 -131.2(10) . . . . ?
P4 C32 B14 B13 106.9(10) . . . . ?
B16 C32 B15 B19 -92.7(11) . . . . ?
B14 C32 B15 B19 31.1(10) . . . . ?
P4 C32 B15 B19 154.7(10) . . . . ?
B16 C32 B15 B20 -29.9(10) . . . . ?
B14 C32 B15 B20 93.9(10) . . . . ?
P4 C32 B15 B20 -142.5(11) . . . . ?
B14 C32 B15 B16 123.8(10) . . . . ?
P4 C32 B15 B16 -112.6(12) . . . . ?
B16 C32 B15 B14 -123.8(10) . . . . ?
P4 C32 B15 B14 123.5(12) . . . . ?
B18 B14 B15 C32 120.3(10) . . . . ?
B19 B14 B15 C32 146.6(11) . . . . ?
B13 B14 B15 C32 60.9(11) . . . . ?
C32 B14 B15 B19 -146.6(11) . . . . ?
B18 B14 B15 B19 -26.3(9) . . . . ?
B13 B14 B15 B19 -85.8(11) . . . . ?
C32 B14 B15 B20 -98.7(10) . . . . ?
B18 B14 B15 B20 21.6(11) . . . . ?
B19 B14 B15 B20 48.0(9) . . . . ?
B13 B14 B15 B20 -37.8(13) . . . . ?
C32 B14 B15 B16 -41.3(8) . . . . ?
B18 B14 B15 B16 79.0(10) . . . . ?
B19 B14 B15 B16 105.4(10) . . . . ?
B13 B14 B15 B16 19.6(13) . . . . ?
B15 C32 B16 B20 31.7(11) . . . . ?
B14 C32 B16 B20 -27.0(13) . . . . ?
P4 C32 B16 B20 153.7(9) . . . . ?
B14 C32 B16 B15 -58.8(10) . . . . ?
P4 C32 B16 B15 122.0(11) . . . . ?
B15 C32 B16 B11 95.5(12) . . . . ?
B14 C32 B16 B11 36.7(14) . . . . ?
P4 C32 B16 B11 -142.6(9) . . . . ?
B19 B15 B16 C32 104.7(11) . . . . ?
B20 B15 B16 C32 144.9(12) . . . . ?
B14 B15 B16 C32 43.3(8) . . . . ?
C32 B15 B16 B20 -144.9(12) . . . . ?
B19 B15 B16 B20 -40.3(10) . . . . ?
B14 B15 B16 B20 -101.7(10) . . . . ?
C32 B15 B16 B11 -111.4(11) . . . . ?
B19 B15 B16 B11 -6.8(12) . . . . ?
B20 B15 B16 B11 33.5(9) . . . . ?
B14 B15 B16 B11 -68.2(10) . . . . ?
C31 B12 B17 B19 67.1(15) . . . . ?
B18 B12 B17 B19 -25.8(11) . . . . ?
B13 B12 B17 B19 13.2(15) . . . . ?
B11 B12 B17 B19 98.3(12) . . . . ?
C31 B12 B17 B20 -2.5(16) . . . . ?
B18 B12 B17 B20 -95.4(12) . . . . ?
B13 B12 B17 B20 -56.4(14) . . . . ?
B11 B12 B17 B20 28.7(11) . . . . ?
C31 B12 B17 B18 92.9(12) . . . . ?
B13 B12 B17 B18 39.0(9) . . . . ?
B11 B12 B17 B18 124.1(10) . . . . ?
C31 B12 B17 B11 -31.2(10) . . . . ?
B18 B12 B17 B11 -124.1(10) . . . . ?
B13 B12 B17 B11 -85.1(10) . . . . ?
C31 B11 B17 B19 -81.3(12) . . . . ?
B20 B11 B17 B19 40.0(10) . . . . ?
B12 B11 B17 B19 -110.4(12) . . . . ?
B16 B11 B17 B19 6.9(13) . . . . ?
C31 B11 B17 B12 29.1(9) . . . . ?
B20 B11 B17 B12 150.4(11) . . . . ?
B16 B11 B17 B12 117.3(10) . . . . ?
C31 B11 B17 B20 -121.3(11) . . . . ?
B12 B11 B17 B20 -150.4(11) . . . . ?
B16 B11 B17 B20 -33.1(9) . . . . ?
C31 B11 B17 B18 -18.1(12) . . . . ?
B20 B11 B17 B18 103.2(11) . . . . ?
B12 B11 B17 B18 -47.2(10) . . . . ?
B16 B11 B17 B18 70.1(11) . . . . ?
C31 B13 B18 B12 -31.2(10) . . . . ?
B14 B13 B18 B12 -141.6(10) . . . . ?
C31 B13 B18 B17 9.0(14) . . . . ?
B12 B13 B18 B17 40.1(10) . . . . ?
B14 B13 B18 B17 -101.5(11) . . . . ?
C31 B13 B18 B19 71.6(14) . . . . ?
B12 B13 B18 B19 102.8(12) . . . . ?
B14 B13 B18 B19 -38.8(10) . . . . ?
C31 B13 B18 B14 110.5(11) . . . . ?
B12 B13 B18 B14 141.6(10) . . . . ?
C31 B12 B18 B13 28.6(9) . . . . ?
B17 B12 B18 B13 134.2(10) . . . . ?
B11 B12 B18 B13 86.0(10) . . . . ?
C31 B12 B18 B17 -105.6(11) . . . . ?
B13 B12 B18 B17 -134.2(10) . . . . ?
B11 B12 B18 B17 -48.2(9) . . . . ?
C31 B12 B18 B19 -81.4(12) . . . . ?
B17 B12 B18 B19 24.2(10) . . . . ?
B13 B12 B18 B19 -110.0(11) . . . . ?
B11 B12 B18 B19 -24.0(13) . . . . ?
C31 B12 B18 B14 -11.1(14) . . . . ?
B17 B12 B18 B14 94.5(12) . . . . ?
B13 B12 B18 B14 -39.7(10) . . . . ?
B11 B12 B18 B14 46.3(13) . . . . ?
B19 B17 B18 B13 111.5(11) . . . . ?
B12 B17 B18 B13 -42.1(10) . . . . ?
B20 B17 B18 B13 68.9(13) . . . . ?
B11 B17 B18 B13 6.3(13) . . . . ?
B19 B17 B18 B12 153.5(11) . . . . ?
B20 B17 B18 B12 110.9(12) . . . . ?
B11 B17 B18 B12 48.4(9) . . . . ?
B12 B17 B18 B19 -153.5(11) . . . . ?
B20 B17 B18 B19 -42.6(9) . . . . ?
B11 B17 B18 B19 -105.1(11) . . . . ?
B19 B17 B18 B14 41.6(9) . . . . ?
B12 B17 B18 B14 -111.9(10) . . . . ?
B20 B17 B18 B14 -1.0(13) . . . . ?
B11 B17 B18 B14 -63.5(12) . . . . ?
C32 B14 B18 B13 -58.0(12) . . . . ?
B15 B14 B18 B13 -115.3(10) . . . . ?
B19 B14 B18 B13 -141.2(10) . . . . ?
C32 B14 B18 B12 -19.5(17) . . . . ?
B15 B14 B18 B12 -76.9(12) . . . . ?
B19 B14 B18 B12 -102.7(12) . . . . ?
B13 B14 B18 B12 38.5(10) . . . . ?
C32 B14 B18 B17 43.9(15) . . . . ?
B15 B14 B18 B17 -13.4(12) . . . . ?
B19 B14 B18 B17 -39.3(10) . . . . ?
B13 B14 B18 B17 101.9(11) . . . . ?
C32 B14 B18 B19 83.2(12) . . . . ?
B15 B14 B18 B19 25.9(9) . . . . ?
B13 B14 B18 B19 141.2(10) . . . . ?
B12 B17 B19 B15 -80.0(14) . . . . ?
B20 B17 B19 B15 27.1(11) . . . . ?
B18 B17 B19 B15 -105.5(11) . . . . ?
B11 B17 B19 B15 -12.4(15) . . . . ?
B12 B17 B19 B18 25.5(10) . . . . ?
B20 B17 B19 B18 132.7(9) . . . . ?
B11 B17 B19 B18 93.1(10) . . . . ?
B12 B17 B19 B20 -107.1(12) . . . . ?
B18 B17 B19 B20 -132.7(9) . . . . ?
B11 B17 B19 B20 -39.5(10) . . . . ?
B12 B17 B19 B14 -14.1(14) . . . . ?
B20 B17 B19 B14 93.0(10) . . . . ?
B18 B17 B19 B14 -39.6(9) . . . . ?
B11 B17 B19 B14 53.5(12) . . . . ?
C32 B15 B19 B17 66.9(15) . . . . ?
B20 B15 B19 B17 -27.0(11) . . . . ?
B16 B15 B19 B17 12.0(14) . . . . ?
B14 B15 B19 B17 95.7(11) . . . . ?
C32 B15 B19 B18 -0.5(15) . . . . ?
B20 B15 B19 B18 -94.4(11) . . . . ?
B16 B15 B19 B18 -55.4(13) . . . . ?
B14 B15 B19 B18 28.3(10) . . . . ?
C32 B15 B19 B20 93.9(11) . . . . ?
B16 B15 B19 B20 39.0(9) . . . . ?
B14 B15 B19 B20 122.7(9) . . . . ?
C32 B15 B19 B14 -28.9(9) . . . . ?
B20 B15 B19 B14 -122.7(9) . . . . ?
B16 B15 B19 B14 -83.8(9) . . . . ?
B13 B18 B19 B17 -94.6(12) . . . . ?
B12 B18 B19 B17 -24.4(10) . . . . ?
B14 B18 B19 B17 -134.6(10) . . . . ?
B13 B18 B19 B15 11.0(16) . . . . ?
B12 B18 B19 B15 81.1(13) . . . . ?
B17 B18 B19 B15 105.5(12) . . . . ?
B14 B18 B19 B15 -29.1(10) . . . . ?
B13 B18 B19 B20 -53.2(14) . . . . ?
B12 B18 B19 B20 17.0(13) . . . . ?
B17 B18 B19 B20 41.4(9) . . . . ?
B14 B18 B19 B20 -93.2(10) . . . . ?
B13 B18 B19 B14 40.1(11) . . . . ?
B12 B18 B19 B14 110.2(11) . . . . ?
B17 B18 B19 B14 134.6(10) . . . . ?
C32 B14 B19 B17 -82.8(11) . . . . ?
B18 B14 B19 B17 40.2(9) . . . . ?
B15 B14 B19 B17 -109.8(11) . . . . ?
B13 B14 B19 B17 8.3(12) . . . . ?
C32 B14 B19 B15 26.9(9) . . . . ?
B18 B14 B19 B15 149.9(10) . . . . ?
B13 B14 B19 B15 118.1(10) . . . . ?
C32 B14 B19 B18 -123.0(9) . . . . ?
B15 B14 B19 B18 -149.9(10) . . . . ?
B13 B14 B19 B18 -31.9(8) . . . . ?
C32 B14 B19 B20 -21.2(11) . . . . ?
B18 B14 B19 B20 101.8(10) . . . . ?
B15 B14 B19 B20 -48.1(9) . . . . ?
B13 B14 B19 B20 70.0(10) . . . . ?
C32 B16 B20 B17 72.3(14) . . . . ?
B15 B16 B20 B17 102.5(13) . . . . ?
B11 B16 B20 B17 -39.9(10) . . . . ?
C32 B16 B20 B19 10.1(13) . . . . ?
B15 B16 B20 B19 40.3(9) . . . . ?
B11 B16 B20 B19 -102.1(11) . . . . ?
C32 B16 B20 B15 -30.2(10) . . . . ?
B11 B16 B20 B15 -142.5(10) . . . . ?
C32 B16 B20 B11 112.3(11) . . . . ?
B15 B16 B20 B11 142.5(10) . . . . ?
B19 B17 B20 B16 -94.4(12) . . . . ?
B12 B17 B20 B16 12.6(17) . . . . ?
B18 B17 B20 B16 -52.1(14) . . . . ?
B11 B17 B20 B16 41.8(10) . . . . ?
B12 B17 B20 B19 107.0(13) . . . . ?
B18 B17 B20 B19 42.4(9) . . . . ?
B11 B17 B20 B19 136.2(11) . . . . ?
B19 B17 B20 B15 -26.2(10) . . . . ?
B12 B17 B20 B15 80.8(14) . . . . ?
B18 B17 B20 B15 16.2(14) . . . . ?
B11 B17 B20 B15 110.0(11) . . . . ?
B19 B17 B20 B11 -136.2(11) . . . . ?
B12 B17 B20 B11 -29.2(11) . . . . ?
B18 B17 B20 B11 -93.8(11) . . . . ?
B17 B19 B20 B16 110.0(12) . . . . ?
B15 B19 B20 B16 -41.6(9) . . . . ?
B18 B19 B20 B16 68.3(12) . . . . ?
B14 B19 B20 B16 7.4(12) . . . . ?
B15 B19 B20 B17 -151.6(11) . . . . ?
B18 B19 B20 B17 -41.7(9) . . . . ?
B14 B19 B20 B17 -102.6(10) . . . . ?
B17 B19 B20 B15 151.6(11) . . . . ?
B18 B19 B20 B15 109.9(11) . . . . ?
B14 B19 B20 B15 49.0(8) . . . . ?
B17 B19 B20 B11 39.9(10) . . . . ?
B15 B19 B20 B11 -111.7(11) . . . . ?
B18 B19 B20 B11 -1.8(12) . . . . ?
B14 B19 B20 B11 -62.7(11) . . . . ?
C32 B15 B20 B16 27.9(9) . . . . ?
B19 B15 B20 B16 133.8(10) . . . . ?
B14 B15 B20 B16 84.7(9) . . . . ?
C32 B15 B20 B17 -80.0(13) . . . . ?
B19 B15 B20 B17 25.9(10) . . . . ?
B16 B15 B20 B17 -107.9(12) . . . . ?
B14 B15 B20 B17 -23.2(13) . . . . ?
C32 B15 B20 B19 -105.9(11) . . . . ?
B16 B15 B20 B19 -133.8(10) . . . . ?
B14 B15 B20 B19 -49.1(8) . . . . ?
C32 B15 B20 B11 -11.0(15) . . . . ?
B19 B15 B20 B11 94.9(12) . . . . ?
B16 B15 B20 B11 -38.9(11) . . . . ?
B14 B15 B20 B11 45.8(13) . . . . ?
C31 B11 B20 B16 -55.8(12) . . . . ?
B17 B11 B20 B16 -139.0(11) . . . . ?
B12 B11 B20 B16 -113.6(10) . . . . ?
C31 B11 B20 B17 83.2(12) . . . . ?
B12 B11 B20 B17 25.4(10) . . . . ?
B16 B11 B20 B17 139.0(11) . . . . ?
C31 B11 B20 B19 45.1(15) . . . . ?
B17 B11 B20 B19 -38.1(10) . . . . ?
B12 B11 B20 B19 -12.7(13) . . . . ?
B16 B11 B20 B19 100.9(11) . . . . ?
C31 B11 B20 B15 -18.7(17) . . . . ?
B17 B11 B20 B15 -101.9(13) . . . . ?
B12 B11 B20 B15 -76.5(13) . . . . ?
B16 B11 B20 B15 37.1(10) . . . . ?
B22 C61 B21 B27 -31.4(10) . . . . ?
B23 C61 B21 B27 28.0(13) . . . . ?
P5 C61 B21 B27 -156.6(8) . . . . ?
B23 C61 B21 B22 59.4(10) . . . . ?
P5 C61 B21 B22 -125.2(11) . . . . ?
B22 C61 B21 B26 -93.8(10) . . . . ?
B23 C61 B21 B26 -34.4(13) . . . . ?
P5 C61 B21 B26 141.0(8) . . . . ?
B21 C61 B22 B27 29.7(9) . . . . ?
B23 C61 B22 B27 -93.0(10) . . . . ?
P5 C61 B22 B27 142.7(9) . . . . ?
B21 C61 B22 B28 91.5(10) . . . . ?
B23 C61 B22 B28 -31.2(9) . . . . ?
P5 C61 B22 B28 -155.6(9) . . . . ?
B21 C61 B22 B23 122.7(10) . . . . ?
P5 C61 B22 B23 -124.3(12) . . . . ?
B23 C61 B22 B21 -122.7(10) . . . . ?
P5 C61 B22 B21 112.9(12) . . . . ?
B27 B21 B22 C61 144.8(11) . . . . ?
B26 B21 B22 C61 111.4(10) . . . . ?
C61 B21 B22 B27 -144.8(11) . . . . ?
B26 B21 B22 B27 -33.4(8) . . . . ?
C61 B21 B22 B28 -102.9(10) . . . . ?
B27 B21 B22 B28 41.9(9) . . . . ?
B26 B21 B22 B28 8.5(11) . . . . ?
C61 B21 B22 B23 -43.5(8) . . . . ?
B27 B21 B22 B23 101.3(9) . . . . ?
B26 B21 B22 B23 67.9(9) . . . . ?
B21 C61 B23 B29 27.3(16) . . . . ?
B22 C61 B23 B29 87.8(12) . . . . ?
P5 C61 B23 B29 -147.5(10) . . . . ?
B21 C61 B23 B28 -29.9(13) . . . . ?
B22 C61 B23 B28 30.6(9) . . . . ?
P5 C61 B23 B28 155.3(9) . . . . ?
B21 C61 B23 B22 -60.5(10) . . . . ?
P5 C61 B23 B22 124.7(12) . . . . ?
B21 C61 B23 B24 70.9(10) . . . . ?
B22 C61 B23 B24 131.4(9) . . . . ?
P5 C61 B23 B24 -103.9(10) . . . . ?
B27 B22 B23 C61 98.4(9) . . . . ?
B28 B22 B23 C61 145.2(10) . . . . ?
B21 B22 B23 C61 41.6(8) . . . . ?
C61 B22 B23 B29 -122.0(11) . . . . ?
B27 B22 B23 B29 -23.7(11) . . . . ?
B28 B22 B23 B29 23.2(9) . . . . ?
B21 B22 B23 B29 -80.4(10) . . . . ?
C61 B22 B23 B28 -145.2(10) . . . . ?
B27 B22 B23 B28 -46.8(8) . . . . ?
B21 B22 B23 B28 -103.6(9) . . . . ?
C61 B22 B23 B24 -62.2(10) . . . . ?
B27 B22 B23 B24 36.2(12) . . . . ?
B28 B22 B23 B24 83.0(11) . . . . ?
B21 B22 B23 B24 -20.6(11) . . . . ?
B26 C62 B24 B29 25.3(14) . . . . ?
B25 C62 B24 B29 -34.3(10) . . . . ?
P6 C62 B24 B29 -157.1(8) . . . . ?
B26 C62 B24 B25 59.6(10) . . . . ?
P6 C62 B24 B25 -122.9(10) . . . . ?
B26 C62 B24 B23 -36.4(14) . . . . ?
B25 C62 B24 B23 -96.0(10) . . . . ?
P6 C62 B24 B23 141.2(8) . . . . ?
B24 C62 B25 B30 92.3(10) . . . . ?
B26 C62 B25 B30 -31.8(10) . . . . ?
P6 C62 B25 B30 -157.0(9) . . . . ?
B24 C62 B25 B29 31.8(9) . . . . ?
B26 C62 B25 B29 -92.3(9) . . . . ?
P6 C62 B25 B29 142.5(9) . . . . ?
B24 C62 B25 B26 124.1(10) . . . . ?
P6 C62 B25 B26 -125.2(12) . . . . ?
B26 C62 B25 B24 -124.1(10) . . . . ?
P6 C62 B25 B24 110.7(12) . . . . ?
B29 B24 B25 C62 141.5(11) . . . . ?
B23 B24 B25 C62 108.3(10) . . . . ?
C62 B24 B25 B30 -102.3(10) . . . . ?
B29 B24 B25 B30 39.3(9) . . . . ?
B23 B24 B25 B30 6.0(11) . . . . ?
C62 B24 B25 B29 -141.5(11) . . . . ?
B23 B24 B25 B29 -33.3(8) . . . . ?
C62 B24 B25 B26 -42.0(8) . . . . ?
B29 B24 B25 B26 99.6(9) . . . . ?
B23 B24 B25 B26 66.3(9) . . . . ?
B24 C62 B26 B27 30.4(16) . . . . ?
B25 C62 B26 B27 90.9(12) . . . . ?
P6 C62 B26 B27 -146.8(10) . . . . ?
B24 C62 B26 B30 -30.6(13) . . . . ?
B25 C62 B26 B30 30.0(9) . . . . ?
P6 C62 B26 B30 152.2(9) . . . . ?
B24 C62 B26 B25 -60.6(10) . . . . ?
P6 C62 B26 B25 122.2(12) . . . . ?
B24 C62 B26 B21 72.5(11) . . . . ?
B25 C62 B26 B21 133.0(9) . . . . ?
P6 C62 B26 B21 -104.7(11) . . . . ?
B30 B25 B26 C62 144.9(11) . . . . ?
B29 B25 B26 C62 97.0(10) . . . . ?
B24 B25 B26 C62 40.8(8) . . . . ?
C62 B25 B26 B27 -120.0(11) . . . . ?
B30 B25 B26 B27 24.9(9) . . . . ?
B29 B25 B26 B27 -23.0(11) . . . . ?
B24 B25 B26 B27 -79.2(10) . . . . ?
C62 B25 B26 B30 -144.9(11) . . . . ?
B29 B25 B26 B30 -47.9(8) . . . . ?
B24 B25 B26 B30 -104.1(9) . . . . ?
C62 B25 B26 B21 -59.7(10) . . . . ?
B30 B25 B26 B21 85.2(10) . . . . ?
B29 B25 B26 B21 37.3(11) . . . . ?
B24 B25 B26 B21 -18.9(11) . . . . ?
C61 B21 B27 B30 -73.6(13) . . . . ?
B22 B21 B27 B30 -103.3(11) . . . . ?
B26 B21 B27 B30 38.6(9) . . . . ?
C61 B21 B27 B22 29.7(9) . . . . ?
B26 B21 B27 B22 141.9(9) . . . . ?
C61 B21 B27 B28 -13.8(13) . . . . ?
B22 B21 B27 B28 -43.5(9) . . . . ?
B26 B21 B27 B28 98.4(10) . . . . ?
C61 B21 B27 B26 -112.2(10) . . . . ?
B22 B21 B27 B26 -141.9(9) . . . . ?
C61 B22 B27 B21 -27.7(9) . . . . ?
B28 B22 B27 B21 -130.7(10) . . . . ?
B23 B22 B27 B21 -83.6(9) . . . . ?
C61 B22 B27 B30 81.0(11) . . . . ?
B28 B22 B27 B30 -22.0(9) . . . . ?
B23 B22 B27 B30 25.1(11) . . . . ?
B21 B22 B27 B30 108.7(10) . . . . ?
C61 B22 B27 B28 103.0(10) . . . . ?
B23 B22 B27 B28 47.1(8) . . . . ?
B21 B22 B27 B28 130.7(10) . . . . ?
C61 B22 B27 B26 12.4(13) . . . . ?
B28 B22 B27 B26 -90.6(11) . . . . ?
B23 B22 B27 B26 -43.5(12) . . . . ?
B21 B22 B27 B26 40.1(10) . . . . ?
C62 B26 B27 B21 55.2(12) . . . . ?
B30 B26 B27 B21 140.4(10) . . . . ?
B25 B26 B27 B21 115.8(10) . . . . ?
C62 B26 B27 B30 -85.2(12) . . . . ?
B25 B26 B27 B30 -24.6(9) . . . . ?
B21 B26 B27 B30 -140.4(10) . . . . ?
C62 B26 B27 B22 16.8(16) . . . . ?
B30 B26 B27 B22 102.0(11) . . . . ?
B25 B26 B27 B22 77.4(12) . . . . ?
B21 B26 B27 B22 -38.4(9) . . . . ?
C62 B26 B27 B28 -47.1(14) . . . . ?
B30 B26 B27 B28 38.2(9) . . . . ?
B25 B26 B27 B28 13.5(12) . . . . ?
B21 B26 B27 B28 -102.3(10) . . . . ?
B21 B27 B28 B29 -66.6(12) . . . . ?
B30 B27 B28 B29 44.2(9) . . . . ?
B22 B27 B28 B29 -111.2(11) . . . . ?
B26 B27 B28 B29 3.4(12) . . . . ?
B21 B27 B28 B30 -110.8(10) . . . . ?
B22 B27 B28 B30 -155.4(10) . . . . ?
B26 B27 B28 B30 -40.8(9) . . . . ?
B21 B27 B28 B22 44.6(9) . . . . ?
B30 B27 B28 B22 155.4(10) . . . . ?
B26 B27 B28 B22 114.6(10) . . . . ?
B21 B27 B28 B23 -2.9(12) . . . . ?
B30 B27 B28 B23 107.9(10) . . . . ?
B22 B27 B28 B23 -47.5(8) . . . . ?
B26 B27 B28 B23 67.1(10) . . . . ?
C61 B22 B28 B29 2.2(15) . . . . ?
B27 B22 B28 B29 96.5(12) . . . . ?
B23 B22 B28 B29 -27.1(10) . . . . ?
B21 B22 B28 B29 55.8(13) . . . . ?
C61 B22 B28 B30 -70.3(13) . . . . ?
B27 B22 B28 B30 24.0(10) . . . . ?
B23 B22 B28 B30 -99.5(11) . . . . ?
B21 B22 B28 B30 -16.6(13) . . . . ?
C61 B22 B28 B27 -94.3(10) . . . . ?
B23 B22 B28 B27 -123.6(9) . . . . ?
B21 B22 B28 B27 -40.6(8) . . . . ?
C61 B22 B28 B23 29.3(9) . . . . ?
B27 B22 B28 B23 123.6(9) . . . . ?
B21 B22 B28 B23 82.9(9) . . . . ?
C61 B23 B28 B29 123.8(11) . . . . ?
B22 B23 B28 B29 152.7(10) . . . . ?
B24 B23 B28 B29 31.6(8) . . . . ?
C61 B23 B28 B30 80.7(12) . . . . ?
B29 B23 B28 B30 -43.2(10) . . . . ?
B22 B23 B28 B30 109.6(11) . . . . ?
B24 B23 B28 B30 -11.6(12) . . . . ?
C61 B23 B28 B27 17.9(12) . . . . ?
B29 B23 B28 B27 -105.9(10) . . . . ?
B22 B23 B28 B27 46.8(8) . . . . ?
B24 B23 B28 B27 -74.3(10) . . . . ?
C61 B23 B28 B22 -28.9(9) . . . . ?
B29 B23 B28 B22 -152.7(10) . . . . ?
B24 B23 B28 B22 -121.1(9) . . . . ?
B30 B28 B29 B24 93.4(12) . . . . ?
B27 B28 B29 B24 50.5(14) . . . . ?
B22 B28 B29 B24 -14.2(16) . . . . ?
B23 B28 B29 B24 -40.9(10) . . . . ?
B27 B28 B29 B30 -42.9(9) . . . . ?
B22 B28 B29 B30 -107.6(12) . . . . ?
B23 B28 B29 B30 -134.3(10) . . . . ?
B30 B28 B29 B23 134.3(10) . . . . ?
B27 B28 B29 B23 91.4(10) . . . . ?
B22 B28 B29 B23 26.7(10) . . . . ?
B30 B28 B29 B25 23.3(10) . . . . ?
B27 B28 B29 B25 -19.7(13) . . . . ?
B22 B28 B29 B25 -84.3(13) . . . . ?
B23 B28 B29 B25 -111.0(10) . . . . ?
C62 B24 B29 B28 -71.0(14) . . . . ?
B25 B24 B29 B28 -102.8(12) . . . . ?
B23 B24 B29 B28 39.5(10) . . . . ?
C62 B24 B29 B30 -8.3(13) . . . . ?
B25 B24 B29 B30 -40.1(9) . . . . ?
B23 B24 B29 B30 102.2(10) . . . . ?
C62 B24 B29 B23 -110.4(10) . . . . ?
B25 B24 B29 B23 -142.3(9) . . . . ?
C62 B24 B29 B25 31.8(9) . . . . ?
B23 B24 B29 B25 142.3(9) . . . . ?
C61 B23 B29 B28 -83.7(13) . . . . ?
B22 B23 B29 B28 -24.5(9) . . . . ?
B24 B23 B29 B28 -141.0(10) . . . . ?
C61 B23 B29 B24 57.3(12) . . . . ?
B28 B23 B29 B24 141.0(10) . . . . ?
B22 B23 B29 B24 116.5(10) . . . . ?
C61 B23 B29 B30 -44.0(14) . . . . ?
B28 B23 B29 B30 39.7(9) . . . . ?
B22 B23 B29 B30 15.2(12) . . . . ?
B24 B23 B29 B30 -101.3(10) . . . . ?
C61 B23 B29 B25 19.3(17) . . . . ?
B28 B23 B29 B25 103.0(12) . . . . ?
B22 B23 B29 B25 78.4(12) . . . . ?
B24 B23 B29 B25 -38.0(9) . . . . ?
C62 B25 B29 B28 80.6(12) . . . . ?
B30 B25 B29 B28 -23.2(10) . . . . ?
B26 B25 B29 B28 26.1(12) . . . . ?
B24 B25 B29 B28 110.6(11) . . . . ?
C62 B25 B29 B24 -30.0(9) . . . . ?
B30 B25 B29 B24 -133.8(10) . . . . ?
B26 B25 B29 B24 -84.5(9) . . . . ?
C62 B25 B29 B30 103.8(10) . . . . ?
B26 B25 B29 B30 49.3(8) . . . . ?
B24 B25 B29 B30 133.8(10) . . . . ?
C62 B25 B29 B23 9.7(13) . . . . ?
B30 B25 B29 B23 -94.2(11) . . . . ?
B26 B25 B29 B23 -44.9(12) . . . . ?
B24 B25 B29 B23 39.6(10) . . . . ?
B29 B28 B30 B25 -24.7(10) . . . . ?
B27 B28 B30 B25 107.8(11) . . . . ?
B22 B28 B30 B25 84.2(13) . . . . ?
B23 B28 B30 B25 17.7(15) . . . . ?
B27 B28 B30 B29 132.5(9) . . . . ?
B22 B28 B30 B29 108.9(11) . . . . ?
B23 B28 B30 B29 42.4(9) . . . . ?
B29 B28 B30 B27 -132.5(9) . . . . ?
B22 B28 B30 B27 -23.6(10) . . . . ?
B23 B28 B30 B27 -90.1(10) . . . . ?
B29 B28 B30 B26 -91.2(10) . . . . ?
B27 B28 B30 B26 41.3(9) . . . . ?
B22 B28 B30 B26 17.7(14) . . . . ?
B23 B28 B30 B26 -48.8(13) . . . . ?
C62 B25 B30 B28 -68.4(13) . . . . ?
B29 B25 B30 B28 23.6(10) . . . . ?
B26 B25 B30 B28 -97.4(12) . . . . ?
B24 B25 B30 B28 -14.5(13) . . . . ?
C62 B25 B30 B29 -91.9(11) . . . . ?
B26 B25 B30 B29 -121.0(10) . . . . ?
B24 B25 B30 B29 -38.1(8) . . . . ?
C62 B25 B30 B27 2.3(14) . . . . ?
B29 B25 B30 B27 94.2(11) . . . . ?
B26 B25 B30 B27 -26.8(10) . . . . ?
B24 B25 B30 B27 56.1(12) . . . . ?
C62 B25 B30 B26 29.1(9) . . . . ?
B29 B25 B30 B26 121.0(10) . . . . ?
B24 B25 B30 B26 82.9(9) . . . . ?
B24 B29 B30 B28 -112.7(11) . . . . ?
B23 B29 B30 B28 -42.1(9) . . . . ?
B25 B29 B30 B28 -154.8(11) . . . . ?
B28 B29 B30 B25 154.8(11) . . . . ?
B24 B29 B30 B25 42.1(9) . . . . ?
B23 B29 B30 B25 112.7(10) . . . . ?
B28 B29 B30 B27 42.7(9) . . . . ?
B24 B29 B30 B27 -69.9(11) . . . . ?
B23 B29 B30 B27 0.6(11) . . . . ?
B25 B29 B30 B27 -112.0(10) . . . . ?
B28 B29 B30 B26 104.7(10) . . . . ?
B24 B29 B30 B26 -8.0(12) . . . . ?
B23 B29 B30 B26 62.6(11) . . . . ?
B25 B29 B30 B26 -50.1(8) . . . . ?
B21 B27 B30 B28 92.9(11) . . . . ?
B22 B27 B30 B28 23.2(9) . . . . ?
B26 B27 B30 B28 133.7(10) . . . . ?
B21 B27 B30 B25 -13.7(15) . . . . ?
B22 B27 B30 B25 -83.4(12) . . . . ?
B28 B27 B30 B25 -106.6(12) . . . . ?
B26 B27 B30 B25 27.1(10) . . . . ?
B21 B27 B30 B29 52.6(12) . . . . ?
B22 B27 B30 B29 -17.1(12) . . . . ?
B28 B27 B30 B29 -40.3(8) . . . . ?
B26 B27 B30 B29 93.4(9) . . . . ?
B21 B27 B30 B26 -40.9(10) . . . . ?
B22 B27 B30 B26 -110.6(10) . . . . ?
B28 B27 B30 B26 -133.7(10) . . . . ?
C62 B26 B30 B28 80.9(12) . . . . ?
B27 B26 B30 B28 -42.4(9) . . . . ?
B25 B26 B30 B28 109.9(11) . . . . ?
B21 B26 B30 B28 -10.1(12) . . . . ?
C62 B26 B30 B25 -29.0(9) . . . . ?
B27 B26 B30 B25 -152.3(10) . . . . ?
B21 B26 B30 B25 -120.0(9) . . . . ?
C62 B26 B30 B29 21.5(12) . . . . ?
B27 B26 B30 B29 -101.8(10) . . . . ?
B25 B26 B30 B29 50.5(9) . . . . ?
B21 B26 B30 B29 -69.5(10) . . . . ?
C62 B26 B30 B27 123.3(11) . . . . ?
B25 B26 B30 B27 152.3(10) . . . . ?
B21 B26 B30 B27 32.3(8) . . . . ?
C95 C91 C92 C93 1.0(16) . . . . ?
C96 C91 C92 C93 176.1(14) . . . . ?
Co1 C91 C92 C93 -59.5(9) . . . . ?
C95 C91 C92 C97 -175.6(13) . . . . ?
C96 C91 C92 C97 0(2) . . . . ?
Co1 C91 C92 C97 124.0(14) . . . . ?
C95 C91 C92 Co1 60.4(10) . . . . ?
C96 C91 C92 Co1 -124.4(15) . . . . ?
C91 C92 C93 C94 1.3(16) . . . . ?
C97 C92 C93 C94 177.7(14) . . . . ?
Co1 C92 C93 C94 -58.5(10) . . . . ?
C91 C92 C93 C98 -176.4(14) . . . . ?
C97 C92 C93 C98 0(2) . . . . ?
Co1 C92 C93 C98 123.8(15) . . . . ?
C91 C92 C93 Co1 59.8(9) . . . . ?
C97 C92 C93 Co1 -123.8(15) . . . . ?
C92 C93 C94 C95 -3.0(16) . . . . ?
C98 C93 C94 C95 174.7(14) . . . . ?
Co1 C93 C94 C95 -61.8(10) . . . . ?
C92 C93 C94 C99 -174.9(14) . . . . ?
C98 C93 C94 C99 3(2) . . . . ?
Co1 C93 C94 C99 126.2(14) . . . . ?
C92 C93 C94 Co1 58.8(10) . . . . ?
C98 C93 C94 Co1 -123.5(16) . . . . ?
C92 C91 C95 C94 -2.8(16) . . . . ?
C96 C91 C95 C94 -177.8(14) . . . . ?
Co1 C91 C95 C94 56.8(10) . . . . ?
C92 C91 C95 C100 177.5(14) . . . . ?
C96 C91 C95 C100 2(2) . . . . ?
Co1 C91 C95 C100 -122.9(15) . . . . ?
C92 C91 C95 Co1 -59.7(9) . . . . ?
C96 C91 C95 Co1 125.4(16) . . . . ?
C93 C94 C95 C91 3.6(16) . . . . ?
C99 C94 C95 C91 175.3(15) . . . . ?
Co1 C94 C95 C91 -57.8(10) . . . . ?
C93 C94 C95 C100 -176.7(13) . . . . ?
C99 C94 C95 C100 -5(2) . . . . ?
Co1 C94 C95 C100 121.9(14) . . . . ?
C93 C94 C95 Co1 61.5(10) . . . . ?
C99 C94 C95 Co1 -126.9(16) . . . . ?
C105 C101 C102 C103 0.2(16) . . . . ?
C106 C101 C102 C103 175.2(13) . . . . ?
Co1 C101 C102 C103 -59.1(9) . . . . ?
C105 C101 C102 C107 -175.0(14) . . . . ?
C106 C101 C102 C107 0(2) . . . . ?
Co1 C101 C102 C107 125.6(15) . . . . ?
C105 C101 C102 Co1 59.4(10) . . . . ?
C106 C101 C102 Co1 -125.7(14) . . . . ?
C101 C102 C103 C104 1.5(16) . . . . ?
C107 C102 C103 C104 176.8(14) . . . . ?
Co1 C102 C103 C104 -58.6(10) . . . . ?
C101 C102 C103 C108 -175.7(14) . . . . ?
C107 C102 C103 C108 0(2) . . . . ?
Co1 C102 C103 C108 124.2(16) . . . . ?
C101 C102 C103 Co1 60.1(9) . . . . ?
C107 C102 C103 Co1 -124.6(15) . . . . ?
C102 C103 C104 C105 -2.6(16) . . . . ?
C108 C103 C104 C105 174.6(14) . . . . ?
Co1 C103 C104 C105 -61.4(10) . . . . ?
C102 C103 C104 C109 -174.5(14) . . . . ?
C108 C103 C104 C109 3(2) . . . . ?
Co1 C103 C104 C109 126.8(15) . . . . ?
C102 C103 C104 Co1 58.7(9) . . . . ?
C108 C103 C104 Co1 -124.0(16) . . . . ?
C103 C104 C105 C101 2.8(16) . . . . ?
C109 C104 C105 C101 175.1(13) . . . . ?
Co1 C104 C105 C101 -57.3(10) . . . . ?
C103 C104 C105 C110 -177.3(14) . . . . ?
C109 C104 C105 C110 -5(2) . . . . ?
Co1 C104 C105 C110 122.6(15) . . . . ?
C103 C104 C105 Co1 60.1(10) . . . . ?
C109 C104 C105 Co1 -127.6(14) . . . . ?
C102 C101 C105 C104 -1.8(16) . . . . ?
C106 C101 C105 C104 -176.8(13) . . . . ?
Co1 C101 C105 C104 56.6(10) . . . . ?
C102 C101 C105 C110 178.2(13) . . . . ?
C106 C101 C105 C110 3(2) . . . . ?
Co1 C101 C105 C110 -123.4(14) . . . . ?
C102 C101 C105 Co1 -58.4(10) . . . . ?
C106 C101 C105 Co1 126.6(14) . . . . ?
C115 C111 C112 C113 0.0 . . . . ?
C116 C111 C112 C113 -175.9(17) . . . . ?
Co2 C111 C112 C113 -59.2(6) . . . . ?
C115 C111 C112 C117 -178.0(18) . . . . ?
C116 C111 C112 C117 6(2) . . . . ?
Co2 C111 C112 C117 122.8(16) . . . . ?
C115 C111 C112 Co2 59.2(6) . . . . ?
C116 C111 C112 Co2 -116.7(15) . . . . ?
C111 C112 C113 C114 0.0 . . . . ?
C117 C112 C113 C114 178.0(17) . . . . ?
Co2 C112 C113 C114 -60.1(6) . . . . ?
C111 C112 C113 C118 -175.5(18) . . . . ?
C117 C112 C113 C118 3(2) . . . . ?
Co2 C112 C113 C118 124.4(16) . . . . ?
C111 C112 C113 Co2 60.1(6) . . . . ?
C117 C112 C113 Co2 -121.9(15) . . . . ?
C112 C113 C114 C115 0.0 . . . . ?
C118 C113 C114 C115 175.5(18) . . . . ?
Co2 C113 C114 C115 -60.0(5) . . . . ?
C112 C113 C114 C119 179.4(19) . . . . ?
C118 C113 C114 C119 -5(2) . . . . ?
Co2 C113 C114 C119 119.4(17) . . . . ?
C112 C113 C114 Co2 60.0(5) . . . . ?
C118 C113 C114 Co2 -124.6(16) . . . . ?
C112 C111 C115 C114 0.0 . . . . ?
C116 C111 C115 C114 175.7(18) . . . . ?
Co2 C111 C115 C114 58.6(5) . . . . ?
C112 C111 C115 C120 179.2(18) . . . . ?
C116 C111 C115 C120 -5(2) . . . . ?
Co2 C111 C115 C120 -122.2(17) . . . . ?
C112 C111 C115 Co2 -58.6(5) . . . . ?
C116 C111 C115 Co2 117.1(16) . . . . ?
C113 C114 C115 C111 0.0 . . . . ?
C119 C114 C115 C111 -179.4(18) . . . . ?
Co2 C114 C115 C111 -59.1(6) . . . . ?
C113 C114 C115 C120 -179.2(18) . . . . ?
C119 C114 C115 C120 1(2) . . . . ?
Co2 C114 C115 C120 121.7(16) . . . . ?
C113 C114 C115 Co2 59.1(6) . . . . ?
C119 C114 C115 Co2 -120.4(16) . . . . ?
C215 C211 C212 C213 0.0 . . . . ?
C216 C211 C212 C213 172(6) . . . . ?
Co2 C211 C212 C213 -59(2) . . . . ?
C215 C211 C212 C217 180(6) . . . . ?
C216 C211 C212 C217 -9(7) . . . . ?
Co2 C211 C212 C217 121(5) . . . . ?
C215 C211 C212 Co2 59(2) . . . . ?
C216 C211 C212 Co2 -130(5) . . . . ?
C211 C212 C213 C214 0.0 . . . . ?
C217 C212 C213 C214 -180(7) . . . . ?
Co2 C212 C213 C214 -58(2) . . . . ?
C211 C212 C213 C218 -179(6) . . . . ?
C217 C212 C213 C218 2(7) . . . . ?
Co2 C212 C213 C218 124(5) . . . . ?
C211 C212 C213 Co2 58(2) . . . . ?
C217 C212 C213 Co2 -122(6) . . . . ?
C212 C213 C214 C215 0.0 . . . . ?
C218 C213 C214 C215 178(9) . . . . ?
Co2 C213 C214 C215 -58(2) . . . . ?
C212 C213 C214 C219 -174(6) . . . . ?
C218 C213 C214 C219 4(10) . . . . ?
Co2 C213 C214 C219 128(6) . . . . ?
C212 C213 C214 Co2 58(2) . . . . ?
C218 C213 C214 Co2 -124(8) . . . . ?
C213 C214 C215 C211 0.0 . . . . ?
C219 C214 C215 C211 171(10) . . . . ?
Co2 C214 C215 C211 -59(2) . . . . ?
C213 C214 C215 C220 -164(9) . . . . ?
C219 C214 C215 C220 7(12) . . . . ?
Co2 C214 C215 C220 137(8) . . . . ?
C213 C214 C215 Co2 59(2) . . . . ?
C219 C214 C215 Co2 -130(9) . . . . ?
C212 C211 C215 C214 0.0 . . . . ?
C216 C211 C215 C214 -172(6) . . . . ?
Co2 C211 C215 C214 60(2) . . . . ?
C212 C211 C215 C220 168(6) . . . . ?
C216 C211 C215 C220 -3(7) . . . . ?
Co2 C211 C215 C220 -132(6) . . . . ?
C212 C211 C215 Co2 -60(2) . . . . ?
C216 C211 C215 Co2 129(5) . . . . ?
C125 C121 C122 C123 0.0 . . . . ?
C126 C121 C122 C123 175(3) . . . . ?
Co2 C121 C122 C123 -59.1(7) . . . . ?
C125 C121 C122 C127 -173(3) . . . . ?
C126 C121 C122 C127 2(3) . . . . ?
Co2 C121 C122 C127 127(2) . . . . ?
C125 C121 C122 Co2 59.1(7) . . . . ?
C126 C121 C122 Co2 -126(3) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C127 C122 C123 C124 174(3) . . . . ?
Co2 C122 C123 C124 -58.3(9) . . . . ?
C121 C122 C123 C128 -177(2) . . . . ?
C127 C122 C123 C128 -3(3) . . . . ?
Co2 C122 C123 C128 125(2) . . . . ?
C121 C122 C123 Co2 58.3(9) . . . . ?
C127 C122 C123 Co2 -128(2) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C128 C123 C124 C125 177(2) . . . . ?
Co2 C123 C124 C125 -58.4(9) . . . . ?
C122 C123 C124 C129 -177(2) . . . . ?
C128 C123 C124 C129 0(3) . . . . ?
Co2 C123 C124 C129 124(2) . . . . ?
C122 C123 C124 Co2 58.4(9) . . . . ?
C128 C123 C124 Co2 -124(2) . . . . ?
C123 C124 C125 C121 0.0 . . . . ?
C129 C124 C125 C121 177(2) . . . . ?
Co2 C124 C125 C121 -59.4(8) . . . . ?
C123 C124 C125 C130 -177(3) . . . . ?
C129 C124 C125 C130 1(3) . . . . ?
Co2 C124 C125 C130 124(3) . . . . ?
C123 C124 C125 Co2 59.4(8) . . . . ?
C129 C124 C125 Co2 -123.1(19) . . . . ?
C122 C121 C125 C124 0.0 . . . . ?
C126 C121 C125 C124 -175(3) . . . . ?
Co2 C121 C125 C124 59.9(8) . . . . ?
C122 C121 C125 C130 177(3) . . . . ?
C126 C121 C125 C130 2(3) . . . . ?
Co2 C121 C125 C130 -123(2) . . . . ?
C122 C121 C125 Co2 -59.9(8) . . . . ?
C126 C121 C125 Co2 125(3) . . . . ?
C225 C221 C222 C223 0.0 . . . . ?
C226 C221 C222 C223 173(7) . . . . ?
Co2 C221 C222 C223 -59.6(19) . . . . ?
C225 C221 C222 C227 -175(6) . . . . ?
C226 C221 C222 C227 -2(8) . . . . ?
Co2 C221 C222 C227 126(6) . . . . ?
C225 C221 C222 Co2 59.6(19) . . . . ?
C226 C221 C222 Co2 -128(7) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C227 C222 C223 C224 175(6) . . . . ?
Co2 C222 C223 C224 -62(2) . . . . ?
C221 C222 C223 C228 -179(6) . . . . ?
C227 C222 C223 C228 -4(8) . . . . ?
Co2 C222 C223 C228 119(5) . . . . ?
C221 C222 C223 Co2 62(2) . . . . ?
C227 C222 C223 Co2 -123(6) . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
C228 C223 C224 C225 179(5) . . . . ?
Co2 C223 C224 C225 -63(2) . . . . ?
C222 C223 C224 C229 178(6) . . . . ?
C228 C223 C224 C229 -2(7) . . . . ?
Co2 C223 C224 C229 116(6) . . . . ?
C222 C223 C224 Co2 63(2) . . . . ?
C228 C223 C224 Co2 -118(5) . . . . ?
C222 C221 C225 C224 0.0 . . . . ?
C226 C221 C225 C224 -172(8) . . . . ?
Co2 C221 C225 C224 58.7(17) . . . . ?
C222 C221 C225 C230 -175(6) . . . . ?
C226 C221 C225 C230 13(8) . . . . ?
Co2 C221 C225 C230 -116(5) . . . . ?
C222 C221 C225 Co2 -58.7(17) . . . . ?
C226 C221 C225 Co2 129(7) . . . . ?
C223 C224 C225 C221 0.0 . . . . ?
C229 C224 C225 C221 -179(6) . . . . ?
Co2 C224 C225 C221 -60.6(18) . . . . ?
C223 C224 C225 C230 174(6) . . . . ?
C229 C224 C225 C230 -4(7) . . . . ?
Co2 C224 C225 C230 114(6) . . . . ?
C223 C224 C225 Co2 60.6(18) . . . . ?
C229 C224 C225 Co2 -118(5) . . . . ?
C135 C131 C132 C133 0.2(16) . . . . ?
C136 C131 C132 C133 175.0(13) . . . . ?
Co3 C131 C132 C133 -58.8(10) . . . . ?
C135 C131 C132 C137 -176.6(14) . . . . ?
C136 C131 C132 C137 -2(2) . . . . ?
Co3 C131 C132 C137 124.4(15) . . . . ?
C135 C131 C132 Co3 58.9(10) . . . . ?
C136 C131 C132 Co3 -126.2(14) . . . . ?
C131 C132 C133 C134 0.4(17) . . . . ?
C137 C132 C133 C134 177.1(15) . . . . ?
Co3 C132 C133 C134 -59.7(12) . . . . ?
C131 C132 C133 C138 -176.9(17) . . . . ?
C137 C132 C133 C138 0(3) . . . . ?
Co3 C132 C133 C138 123.1(18) . . . . ?
C131 C132 C133 Co3 60.0(10) . . . . ?
C137 C132 C133 Co3 -123.3(16) . . . . ?
C132 C133 C134 C135 -0.7(18) . . . . ?
C138 C133 C134 C135 176.4(18) . . . . ?
Co3 C133 C134 C135 -59.5(10) . . . . ?
C132 C133 C134 C139 -178.5(16) . . . . ?
C138 C133 C134 C139 -1(3) . . . . ?
Co3 C133 C134 C139 122.7(17) . . . . ?
C132 C133 C134 Co3 58.8(11) . . . . ?
C138 C133 C134 Co3 -124(2) . . . . ?
C132 C131 C135 C134 -0.6(16) . . . . ?
C136 C131 C135 C134 -175.3(14) . . . . ?
Co3 C131 C135 C134 57.8(10) . . . . ?
C132 C131 C135 C140 -179.9(16) . . . . ?
C136 C131 C135 C140 5(2) . . . . ?
Co3 C131 C135 C140 -121.5(17) . . . . ?
C132 C131 C135 Co3 -58.4(10) . . . . ?
C136 C131 C135 Co3 126.9(15) . . . . ?
C133 C134 C135 C131 0.8(17) . . . . ?
C139 C134 C135 C131 178.5(16) . . . . ?
Co3 C134 C135 C131 -58.1(10) . . . . ?
C133 C134 C135 C140 -179.9(16) . . . . ?
C139 C134 C135 C140 -2(3) . . . . ?
Co3 C134 C135 C140 121.2(17) . . . . ?
C133 C134 C135 Co3 58.9(11) . . . . ?
C139 C134 C135 Co3 -123.4(17) . . . . ?
C145 C141 C142 C143 0.0 . . . . ?
C146 C141 C142 C143 178.2(18) . . . . ?
Co3 C141 C142 C143 -59.4(5) . . . . ?
C145 C141 C142 C147 -178.6(17) . . . . ?
C146 C141 C142 C147 0(2) . . . . ?
Co3 C141 C142 C147 122.0(15) . . . . ?
C145 C141 C142 Co3 59.4(5) . . . . ?
C146 C141 C142 Co3 -122.4(17) . . . . ?
C141 C142 C143 C144 0.0 . . . . ?
C147 C142 C143 C144 178.6(18) . . . . ?
Co3 C142 C143 C144 -60.0(5) . . . . ?
C141 C142 C143 C148 -177.6(19) . . . . ?
C147 C142 C143 C148 1(2) . . . . ?
Co3 C142 C143 C148 122.4(17) . . . . ?
C141 C142 C143 Co3 60.0(5) . . . . ?
C147 C142 C143 Co3 -121.4(17) . . . . ?
C142 C143 C144 C145 0.0 . . . . ?
C148 C143 C144 C145 177(2) . . . . ?
Co3 C143 C144 C145 -59.8(5) . . . . ?
C142 C143 C144 C149 -178.6(17) . . . . ?
C148 C143 C144 C149 -1(2) . . . . ?
Co3 C143 C144 C149 121.5(16) . . . . ?
C142 C143 C144 Co3 59.8(5) . . . . ?
C148 C143 C144 Co3 -122.8(19) . . . . ?
C143 C144 C145 C141 0.0 . . . . ?
C149 C144 C145 C141 178.6(18) . . . . ?
Co3 C144 C145 C141 -59.0(5) . . . . ?
C143 C144 C145 C150 -174.7(16) . . . . ?
C149 C144 C145 C150 4(2) . . . . ?
Co3 C144 C145 C150 126.3(15) . . . . ?
C143 C144 C145 Co3 59.0(5) . . . . ?
C149 C144 C145 Co3 -122.3(16) . . . . ?
C142 C141 C145 C144 0.0 . . . . ?
C146 C141 C145 C144 -178.4(16) . . . . ?
Co3 C141 C145 C144 58.8(5) . . . . ?
C142 C141 C145 C150 174.3(17) . . . . ?
C146 C141 C145 C150 -4(2) . . . . ?
Co3 C141 C145 C150 -126.9(15) . . . . ?
C142 C141 C145 Co3 -58.8(5) . . . . ?
C146 C141 C145 Co3 122.8(15) . . . . ?
C245 C241 C242 C243 0.0 . . . . ?
C246 C241 C242 C243 166(7) . . . . ?
Co3 C241 C242 C243 -61(2) . . . . ?
C245 C241 C242 C247 -160(8) . . . . ?
C246 C241 C242 C247 6(10) . . . . ?
Co3 C241 C242 C247 139(7) . . . . ?
C245 C241 C242 Co3 61(2) . . . . ?
C246 C241 C242 Co3 -133(7) . . . . ?
C241 C242 C243 C244 0.0 . . . . ?
C247 C242 C243 C244 161(8) . . . . ?
Co3 C242 C243 C244 -61(3) . . . . ?
C241 C242 C243 C248 177(14) . . . . ?
C247 C242 C243 C248 -22(14) . . . . ?
Co3 C242 C243 C248 116(13) . . . . ?
C241 C242 C243 Co3 61(3) . . . . ?
C247 C242 C243 Co3 -138(7) . . . . ?
C242 C243 C244 C245 0.0 . . . . ?
C248 C243 C244 C245 -178(9) . . . . ?
Co3 C243 C244 C245 -60(2) . . . . ?
C242 C243 C244 C249 160(9) . . . . ?
C248 C243 C244 C249 -18(11) . . . . ?
Co3 C243 C244 C249 100(8) . . . . ?
C242 C243 C244 Co3 60(2) . . . . ?
C248 C243 C244 Co3 -118(8) . . . . ?
C243 C244 C245 C241 0.0 . . . . ?
C249 C244 C245 C241 -165(7) . . . . ?
Co3 C244 C245 C241 -61(2) . . . . ?
C243 C244 C245 C250 -173(9) . . . . ?
C249 C244 C245 C250 22(10) . . . . ?
Co3 C244 C245 C250 126(8) . . . . ?
C243 C244 C245 Co3 61(2) . . . . ?
C249 C244 C245 Co3 -104(6) . . . . ?
C242 C241 C245 C244 0.0 . . . . ?
C246 C241 C245 C244 -163(8) . . . . ?
Co3 C241 C245 C244 61(3) . . . . ?
C242 C241 C245 C250 174(8) . . . . ?
C246 C241 C245 C250 11(10) . . . . ?
Co3 C241 C245 C250 -125(7) . . . . ?
C242 C241 C245 Co3 -61(3) . . . . ?
C246 C241 C245 Co3 136(8) . . . . ?

_refine_diff_density_max         3.038
_refine_diff_density_min         -1.681
_refine_diff_density_rms         0.143



