# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_exp_3742_auto_sq
_database_code_depnum_ccdc_archive 'CCDC 2415226'
loop_
_audit_author_name
_audit_author_address
'Ke Lu'
;Beijing institute of technology
China
;
_audit_update_record             
;
2025-01-07 deposited with the CCDC.	2025-04-07 downloaded from the CCDC.
;
_audit_creation_date             2024-12-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(C42 H34 Co N8), 16(Cl)'
_chemical_formula_sum            'C168 H136 Cl16 Co4 N32'
_chemical_formula_weight         3406.00
_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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_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                   17.7001(3)
_cell_length_b                   29.4982(6)
_cell_length_c                   34.4252(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.631(2)
_cell_angle_gamma                90
_cell_volume                     17973.0(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             6992
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1475
_diffrn_reflns_av_unetI/netI     0.0799
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            309625
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.359
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                24748
_reflns_number_total             36654
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.989
_refine_diff_density_min         -1.143
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1989
_refine_ls_number_reflns         36654
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.1182
_refine_ls_R_factor_gt           0.0880
_refine_ls_restrained_S_all      0.995
_refine_ls_shift/su_max          0.378
_refine_ls_shift/su_mean         0.044
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1234P)²+66.7946P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2314
_refine_ls_wR_factor_ref         0.2467
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C8 \\sim N069 \\sim C06J \\sim C06F \\sim C05Z \\sim C06C \\sim C06N \\sim
C05V: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008
within 2A
C05H \\sim C06K \\sim C06O \\sim N04D \\sim C066 \\sim C061 \\sim C064: within
2A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
3.a Aromatic/amide H refined with riding coordinates:
 C01F(H01F), C01G(H01G), C01Q(H01Q), C01T(H01T), C01U(H01U), C01V(H01V),
 C01W(H01W), C01Y(H01Y), C01Z(H01Z), C020(H020), C023(H023), C026(H026),
 C029(H029), C02B(H02B), C02D(H02D), C02E(H02E), C02G(H02G), C02I(H02I),
 C02J(H02J), C02K(H02K), C02L(H02L), C02M(H02M), C02N(H02N), C02O(H02O),
 C02R(H02R), C02U(H02U), C02X(H02X), C02Z(H02Z), C031(H031), C033(H033),
 C034(H034), C035(H035), C036(H036), C037(H037), C039(H039), C03B(H03B),
 C03C(H03C), C03D(H03D), C03E(H03E), C03F(H03F), C03H(H03H), C03I(H03I),
 C03L(H03L), C03M(H03M), C03O(H03O), C03P(H03P), C03Q(H03Q), C03R(H03R),
 C03S(H03S), C03W(H03W), C03X(H03X), C040(H040), C041(H041), C042(H042),
 C043(H043), C044(H044), C046(H046), C047(H047), C048(H048), C049(H049),
 C04A(H04D), C04B(H04E), C04C(H04F), C04E(H04H), C04G(H04G), C04J(H04J),
 C04K(H04K), C04L(H04L), C04N(H04N), C04P(H04P), C04Q(H04Q), C04R(H04R),
 C04S(H04S), C04T(H04T), C04U(H04U), C04V(H04V), C04W(H04W), C050(H050),
 C051(H051), C052(H052), C053(H053), C054(H054), C055(H055), C057(H057),
 C058(H058), C059(H059), C05B(H05J), C05C(H05K), C05D(H05D), C05F(H05F),
 C05I(H05I), C05J(H05L), C05K(H05M), C05L(H05V), C05M(H05W), C05N(H05N),
 C05O(H05O), C05P(H05P), C05Q(H05Q), C05U(H05U), C05X(H05X), C05Y(H05Y),
 C060(H060), C061(H061), C066(H066), C068(H068), C06C(H06G), C06F(H06H),
 C06J(H06J), C06K(H06K), C06N(H06N), C06O(H06O)
3.b Idealised Me refined as rotating group:
 C04I(H04A,H04B,H04C), C04M(H04I,H04M,H04O), C05E(H05A,H05B,H05C), C05G(H05E,
 H05G,H05H), C05R(H05R,H05S,H05T), C064(H06D,H06E,H06F), C067(H06A,H06B,H06C),
 C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Co01 Co 0.58588(3) 0.25986(2) 0.56049(2) 0.01450(14) Uani 1 1 d . . . . .
Co02 Co 0.58515(3) 0.22384(2) 0.31712(2) 0.01669(14) Uani 1 1 d . . . . .
Co03 Co 0.59361(3) 0.26894(2) 0.81571(2) 0.01848(15) Uani 1 1 d . . . . .
Co04 Co 0.09085(4) 0.26739(2) 0.55945(2) 0.02251(16) Uani 1 1 d . . . . .
Cl05 Cl 0.81989(7) 0.05447(5) 0.33262(4) 0.0319(3) Uani 1 1 d . . . . .
Cl06 Cl 0.58912(8) 0.12294(5) 0.45047(4) 0.0356(3) Uani 1 1 d . . . . .
Cl07 Cl 0.57726(10) 0.42629(5) 0.42245(4) 0.0404(4) Uani 1 1 d . . . . .
Cl08 Cl 0.33831(8) 0.07552(5) 0.54793(4) 0.0417(4) Uani 1 1 d . . . . .
Cl09 Cl 0.67417(8) -0.04736(5) 0.64789(4) 0.0404(3) Uani 1 1 d . . . . .
Cl0A Cl 0.34598(9) 0.38454(5) 0.55953(4) 0.0402(3) Uani 1 1 d . . . . .
Cl0B Cl 0.17782(10) 0.11294(5) 0.66848(4) 0.0448(4) Uani 1 1 d . . . . .
Cl0C Cl 0.60963(10) 0.14187(6) 0.66543(5) 0.0507(4) Uani 1 1 d . . . . .
Cl0D Cl 1.08095(9) 0.14347(7) 0.44693(5) 0.0563(5) Uani 1 1 d . . . . .
Cl0E Cl 0.84347(8) 0.08620(7) 0.54480(6) 0.0633(6) Uani 1 1 d . . . . .
Cl0F Cl 0.59692(13) 0.44189(7) 0.67968(6) 0.0715(6) Uani 1 1 d . . . . .
Cl0G Cl 0.86402(12) 0.17197(7) 0.71894(7) 0.0721(6) Uani 1 1 d . . . . .
N00H N 0.5853(2) 0.32378(13) 0.55711(10) 0.0153(8) Uani 1 1 d . . . . .
N00J N 0.6953(2) 0.24788(13) 0.57983(10) 0.0191(8) Uani 1 1 d . . . . .
N00K N 0.6266(2) 0.26756(13) 0.50466(11) 0.0175(8) Uani 1 1 d . . . . .
N00L N 0.5817(2) 0.16045(13) 0.32833(10) 0.0169(8) Uani 1 1 d . . . . .
N00M N 0.5855(2) 0.19590(13) 0.56111(10) 0.0149(8) Uani 1 1 d . . . . .
N00N N 0.4772(2) 0.24829(13) 0.54128(10) 0.0178(8) Uani 1 1 d . . . . .
N00O N 0.6255(2) 0.22371(14) 0.26241(11) 0.0205(8) Uani 1 1 d . . . . .
N00P N 0.5470(2) 0.27682(13) 0.61566(11) 0.0194(8) Uani 1 1 d . . . . .
N00Q N 0.6954(2) 0.21352(13) 0.34158(10) 0.0178(8) Uani 1 1 d . . . . .
N00R N 0.0907(2) 0.20352(15) 0.55875(11) 0.0209(9) Uani 1 1 d . . . . .
N00S N 0.5435(2) 0.24499(13) 0.36820(11) 0.0190(8) Uani 1 1 d . . . . .
N00T N 0.5871(2) 0.28567(13) 0.30804(10) 0.0189(8) Uani 1 1 d . . . . .
N00U N 0.5806(2) 0.33086(14) 0.83110(11) 0.0198(8) Uani 1 1 d . . . . .
N00V N 0.5573(2) 0.23766(15) 0.86299(11) 0.0232(9) Uani 1 1 d . . . . .
N00W N 0.6324(2) 0.28089(14) 0.76269(11) 0.0215(9) Uani 1 1 d . . . . .
N00X N 0.7012(2) 0.28275(14) 0.84236(11) 0.0210(9) Uani 1 1 d . . . . .
N00Y N 0.6151(2) 0.20956(14) 0.80126(11) 0.0219(9) Uani 1 1 d . . . . .
N00Z N 0.1972(2) 0.25519(15) 0.58269(11) 0.0233(9) Uani 1 1 d . . . . .
N010 N 0.4759(2) 0.20790(14) 0.29591(10) 0.0203(8) Uani 1 1 d . . . . .
N011 N 0.0453(2) 0.27854(15) 0.61429(12) 0.0252(9) Uani 1 1 d . . . . .
N012 N 0.4793(2) 0.28155(14) 0.79603(11) 0.0206(8) Uani 1 1 d . . . . .
N013 N 0.0971(2) 0.33146(15) 0.56187(11) 0.0240(9) Uani 1 1 d . . . . .
N014 N 0.1372(2) 0.28031(15) 0.50559(12) 0.0256(9) Uani 1 1 d . . . . .
N016 N 0.5800(3) -0.07436(14) 0.35540(12) 0.0282(10) Uani 1 1 d . . . . .
N017 N -0.0142(2) 0.25610(15) 0.53508(11) 0.0246(9) Uani 1 1 d . . . . .
C018 C 0.4616(3) 0.20311(16) 0.53676(12) 0.0183(9) Uani 1 1 d . . . . .
N019 N 0.5989(3) -0.04140(14) 0.55325(13) 0.0298(10) Uani 1 1 d . . . . .
C01A C 0.5241(2) 0.17332(15) 0.54802(12) 0.0156(9) Uani 1 1 d . . . . .
C01B C 0.4578(3) 0.32478(16) 0.80285(13) 0.0192(10) Uani 1 1 d . . . . .
C01C C 0.6405(3) 0.13988(16) 0.34627(12) 0.0187(10) Uani 1 1 d . . . . .
C01D C 0.6352(3) 0.31165(15) 0.49450(13) 0.0187(9) Uani 1 1 d . . . . .
C01E C 0.7102(3) 0.20361(17) 0.58413(13) 0.0210(10) Uani 1 1 d . . . . .
C01F C 0.3867(3) 0.34049(18) 0.79217(13) 0.0224(10) Uani 1 1 d . . . . .
H01F H 0.371783 0.370664 0.797955 0.027 Uiso 1 1 calc R U . . .
C01G C 0.6397(3) 0.09422(16) 0.35361(13) 0.0199(10) Uani 1 1 d . . . . .
H01G H 0.681565 0.080310 0.366358 0.024 Uiso 1 1 calc R U . . .
C01H C 0.5336(3) 0.32156(16) 0.62007(13) 0.0181(9) Uani 1 1 d . . . . .
N01I N 0.5506(3) 0.56666(16) 0.85611(14) 0.0359(11) Uani 1 1 d . . . . .
C01J C 0.6488(3) 0.17353(16) 0.57129(13) 0.0196(10) Uani 1 1 d . . . . .
C01K C 0.4583(3) 0.16352(17) 0.30091(13) 0.0209(10) Uani 1 1 d . . . . .
N01L N 0.0888(3) -0.03384(17) 0.56684(14) 0.0368(11) Uani 1 1 d . . . . .
C01M C 0.6100(3) 0.34429(16) 0.52449(13) 0.0200(10) Uani 1 1 d . . . . .
C01N C 0.5597(3) 0.34936(16) 0.58662(13) 0.0187(9) Uani 1 1 d . . . . .
C01O C 0.7041(2) 0.17088(15) 0.35563(12) 0.0164(9) Uani 1 1 d . . . . .
N01P N 0.6028(3) 0.56020(15) 0.54379(14) 0.0372(12) Uani 1 1 d . . . . .
C01Q C 0.5271(3) 0.24819(18) 0.64434(14) 0.0236(10) Uani 1 1 d . . . . .
H01Q H 0.536835 0.216682 0.641685 0.028 Uiso 1 1 calc R U . . .
C01R C 0.5779(3) 0.06832(16) 0.34243(13) 0.0198(10) Uani 1 1 d . . . . .
C01T C 0.6486(3) 0.23543(16) 0.47961(13) 0.0179(9) Uani 1 1 d . . . . .
H01T H 0.642571 0.204455 0.486483 0.021 Uiso 1 1 calc R U . . .
C01U C 0.6349(3) 0.40027(17) 0.85389(14) 0.0243(10) Uani 1 1 d . . . . .
H01U H 0.676750 0.415872 0.865125 0.029 Uiso 1 1 calc R U . . .
C01V C 0.6653(3) 0.32439(17) 0.45950(14) 0.0259(11) Uani 1 1 d . . . . .
H01V H 0.670643 0.355511 0.452973 0.031 Uiso 1 1 calc R U . . .
C01W C 0.5265(3) 0.02627(17) 0.55185(14) 0.0267(11) Uani 1 1 d . . . . .
H01W H 0.478493 0.040725 0.551556 0.032 Uiso 1 1 calc R U . . .
C01X C 0.5348(3) 0.29071(16) 0.37035(13) 0.0224(10) Uani 1 1 d . . . . .
C01Y C 0.5246(3) 0.12635(16) 0.54519(13) 0.0194(10) Uani 1 1 d . . . . .
H01Y H 0.480711 0.110663 0.536466 0.023 Uiso 1 1 calc R U . . .
C01Z C 0.7485(3) 0.27840(18) 0.58942(13) 0.0250(11) Uani 1 1 d . . . . .
H01Z H 0.738432 0.309713 0.585524 0.030 Uiso 1 1 calc R U . . .
C020 C 0.5316(3) -0.02019(17) 0.55193(15) 0.0284(11) Uani 1 1 d . . . . .
H020 H 0.486651 -0.037762 0.551025 0.034 Uiso 1 1 calc R U . . .
C021 C 0.5190(3) 0.13621(16) 0.31888(13) 0.0194(10) Uani 1 1 d . . . . .
C022 C 0.5156(3) 0.35315(16) 0.82167(13) 0.0191(10) Uani 1 1 d . . . . .
C023 C 0.6525(3) 0.12668(16) 0.56847(13) 0.0193(10) Uani 1 1 d . . . . .
H023 H 0.697666 0.111189 0.575560 0.023 Uiso 1 1 calc R U . . .
C024 C 0.5694(3) 0.42406(17) 0.84368(14) 0.0240(10) Uani 1 1 d . . . . .
C025 C 0.6354(3) 0.26615(16) 0.24749(13) 0.0200(10) Uani 1 1 d . . . . .
C026 C 0.5222(3) 0.21961(17) 0.39835(13) 0.0201(10) Uani 1 1 d . . . . .
H026 H 0.529493 0.187729 0.397388 0.024 Uiso 1 1 calc R U . . .
C027 C 0.5628(3) 0.31510(17) 0.33599(13) 0.0224(10) Uani 1 1 d . . . . .
C028 C 0.0301(3) 0.18125(18) 0.54391(13) 0.0224(10) Uani 1 1 d . . . . .
C029 C 0.5591(3) 0.39589(16) 0.58469(14) 0.0221(10) Uani 1 1 d . . . . .
H029 H 0.540040 0.413147 0.605709 0.027 Uiso 1 1 calc R U . . .
C02A C 0.1552(3) 0.32438(18) 0.50052(15) 0.0257(11) Uani 1 1 d . . . . .
C02B C 0.5160(3) 0.09024(17) 0.32590(14) 0.0224(10) Uani 1 1 d . . . . .
H02B H 0.471720 0.073589 0.319424 0.027 Uiso 1 1 calc R U . . .
C02D C 0.6437(3) 0.18766(18) 0.24082(14) 0.0249(11) Uani 1 1 d . . . . .
H02D H 0.636590 0.158098 0.251099 0.030 Uiso 1 1 calc R U . . .
C02E C 0.6118(3) 0.39028(16) 0.52094(14) 0.0242(11) Uani 1 1 d . . . . .
H02E H 0.629944 0.403824 0.497806 0.029 Uiso 1 1 calc R U . . .
C02F C 0.6390(3) 0.35380(17) 0.84760(13) 0.0211(10) Uani 1 1 d . . . . .
C02G C 0.6795(3) 0.24599(17) 0.44433(13) 0.0212(10) Uani 1 1 d . . . . .
H02G H 0.694929 0.222579 0.427219 0.025 Uiso 1 1 calc R U . . .
C02H C 0.7056(3) 0.32521(18) 0.85638(13) 0.0229(10) Uani 1 1 d . . . . .
C02I C 0.7672(3) 0.15839(17) 0.37694(14) 0.0229(10) Uani 1 1 d . . . . .
H02I H 0.771636 0.128484 0.386936 0.028 Uiso 1 1 calc R U . . .
C02J C 0.5087(3) 0.39917(17) 0.82786(14) 0.0224(10) Uani 1 1 d . . . . .
H02J H 0.462773 0.414121 0.821389 0.027 Uiso 1 1 calc R U . . .
C02K C 0.4245(3) 0.27859(17) 0.53191(13) 0.0222(10) Uani 1 1 d . . . . .
H02K H 0.434926 0.309866 0.535748 0.027 Uiso 1 1 calc R U . . .
C02L C 0.0178(3) 0.24841(18) 0.63951(14) 0.0256(11) Uani 1 1 d . . . . .
H02L H 0.023300 0.217019 0.634071 0.031 Uiso 1 1 calc R U . . .
C02M C 0.5133(3) -0.05246(18) 0.35508(15) 0.0287(11) Uani 1 1 d . . . . .
H02M H 0.467762 -0.069182 0.357667 0.034 Uiso 1 1 calc R U . . .
C02N C 0.3923(3) 0.18871(18) 0.52206(13) 0.0244(11) Uani 1 1 d . . . . .
H02N H 0.381805 0.157270 0.519408 0.029 Uiso 1 1 calc R U . . .
C02O C 0.0280(3) 0.13401(18) 0.54345(13) 0.0227(10) Uani 1 1 d . . . . .
H02O H -0.014292 0.118468 0.532680 0.027 Uiso 1 1 calc R U . . .
C02P C 0.5898(3) 0.10236(16) 0.55520(13) 0.0205(10) Uani 1 1 d . . . . .
C02Q C 0.0389(3) 0.32329(19) 0.62278(15) 0.0279(11) Uani 1 1 d . . . . .
C02R C 0.7512(3) 0.24341(17) 0.34764(13) 0.0224(10) Uani 1 1 d . . . . .
H02R H 0.745930 0.273142 0.337361 0.027 Uiso 1 1 calc R U . . .
C02S C 0.6599(3) 0.24334(18) 0.74453(13) 0.0244(11) Uani 1 1 d . . . . .
C02T C 0.6129(3) 0.30210(17) 0.27407(13) 0.0228(10) Uani 1 1 d . . . . .
C02U C 0.5245(3) 0.25676(19) 0.89431(13) 0.0241(11) Uani 1 1 d . . . . .
H02U H 0.519805 0.288804 0.895561 0.029 Uiso 1 1 calc R U . . .
C02V C -0.0296(3) 0.21114(18) 0.52951(13) 0.0216(10) Uani 1 1 d . . . . .
C02W C 0.1344(3) 0.35403(19) 0.53323(15) 0.0284(11) Uani 1 1 d . . . . .
C02X C 0.3886(3) 0.1457(2) 0.28969(15) 0.0309(12) Uani 1 1 d . . . . .
H02X H 0.376709 0.114780 0.294093 0.037 Uiso 1 1 calc R U . . .
C02Y C 0.1503(3) 0.18021(19) 0.57352(13) 0.0243(11) Uani 1 1 d . . . . .
C02Z C 0.8160(3) 0.23274(17) 0.36818(14) 0.0250(11) Uani 1 1 d . . . . .
H02Z H 0.854807 0.254652 0.371683 0.030 Uiso 1 1 calc R U . . .
C030 C 0.5646(3) 0.19214(19) 0.86187(14) 0.0277(11) Uani 1 1 d . . . . .
C031 C -0.0959(3) 0.19654(19) 0.51208(14) 0.0262(11) Uani 1 1 d . . . . .
H031 H -0.105505 0.165135 0.508380 0.031 Uiso 1 1 calc R U . . .
C032 C 0.0738(3) 0.35334(19) 0.59375(15) 0.0285(11) Uani 1 1 d . . . . .
C033 C 0.2503(3) 0.28491(18) 0.59389(13) 0.0239(11) Uani 1 1 d . . . . .
H033 H 0.241690 0.316249 0.589257 0.029 Uiso 1 1 calc R U . . .
C034 C 0.1902(3) 0.3402(2) 0.46720(15) 0.0324(12) Uani 1 1 d . . . . .
H034 H 0.201994 0.371369 0.463927 0.039 Uiso 1 1 calc R U . . .
C035 C 0.1511(3) 0.13396(18) 0.57402(14) 0.0245(11) Uani 1 1 d . . . . .
H035 H 0.193575 0.118309 0.584496 0.029 Uiso 1 1 calc R U . . .
C036 C 0.6879(3) 0.29073(17) 0.43396(14) 0.0249(11) Uani 1 1 d . . . . .
H036 H 0.708884 0.298495 0.409570 0.030 Uiso 1 1 calc R U . . .
C037 C 0.4992(3) 0.33938(18) 0.65254(13) 0.0259(11) Uani 1 1 d . . . . .
H037 H 0.490453 0.371032 0.654890 0.031 Uiso 1 1 calc R U . . .
C038 C 0.5866(3) 0.41771(17) 0.55181(14) 0.0252(11) Uani 1 1 d . . . . .
C039 C 0.6347(3) 0.32074(18) 0.74372(14) 0.0255(11) Uani 1 1 d . . . . .
H039 H 0.614669 0.346757 0.756179 0.031 Uiso 1 1 calc R U . . .
C03B C 0.8238(3) 0.18979(18) 0.38363(14) 0.0261(11) Uani 1 1 d . . . . .
H03B H 0.867299 0.181954 0.398586 0.031 Uiso 1 1 calc R U . . .
C03C C 0.3375(3) 0.31098(19) 0.77273(14) 0.0276(11) Uani 1 1 d . . . . .
H03C H 0.288911 0.321016 0.764542 0.033 Uiso 1 1 calc R U . . .
C03D C 0.3558(3) 0.2201(2) 0.26600(15) 0.0311(12) Uani 1 1 d . . . . .
H03D H 0.321351 0.240232 0.253601 0.037 Uiso 1 1 calc R U . . .
C03E C 0.3603(3) 0.26720(19) 0.76557(14) 0.0274(11) Uani 1 1 d . . . . .
H03E H 0.327796 0.246616 0.752321 0.033 Uiso 1 1 calc R U . . .
C03F C 0.4256(3) 0.23520(17) 0.27856(13) 0.0233(10) Uani 1 1 d . . . . .
H03F H 0.438394 0.266151 0.274755 0.028 Uiso 1 1 calc R U . . .
C03G C 0.2102(3) 0.21086(18) 0.58827(14) 0.0233(10) Uani 1 1 d . . . . .
C03H C 0.3540(3) 0.2659(2) 0.51660(15) 0.0303(12) Uani 1 1 d . . . . .
H03H H 0.317429 0.288247 0.509948 0.036 Uiso 1 1 calc R U . . .
C03I C 0.6728(3) 0.19244(19) 0.20387(15) 0.0318(12) Uani 1 1 d . . . . .
H03I H 0.685725 0.166519 0.188982 0.038 Uiso 1 1 calc R U . . .
C03J C 0.5931(3) 0.05209(17) 0.55222(15) 0.0260(11) Uani 1 1 d . . . . .
C03K C 0.6023(3) 0.17547(18) 0.82678(14) 0.0260(11) Uani 1 1 d . . . . .
C03L C 0.3174(3) 0.27195(18) 0.61201(14) 0.0266(11) Uani 1 1 d . . . . .
H03L H 0.354339 0.293667 0.619642 0.032 Uiso 1 1 calc R U . . .
C03M C 0.6461(3) -0.00561(18) 0.34760(15) 0.0268(11) Uani 1 1 d . . . . .
H03M H 0.692593 0.010074 0.344631 0.032 Uiso 1 1 calc R U . . .
C03N C 0.6514(3) 0.20212(18) 0.76770(13) 0.0255(11) Uani 1 1 d . . . . .
C03O C 0.4317(3) 0.25360(17) 0.77803(13) 0.0224(10) Uani 1 1 d . . . . .
H03O H 0.446985 0.223203 0.773517 0.027 Uiso 1 1 calc R U . . .
C03P C 0.6645(3) 0.3259(2) 0.70748(15) 0.0313(12) Uani 1 1 d . . . . .
H03P H 0.665736 0.354638 0.695127 0.038 Uiso 1 1 calc R U . . .
C03Q C 0.5654(3) 0.36117(18) 0.33063(14) 0.0303(12) Uani 1 1 d . . . . .
H03Q H 0.548334 0.381058 0.350387 0.036 Uiso 1 1 calc R U . . .
C03R C 0.3387(3) 0.2206(2) 0.51133(15) 0.0306(12) Uani 1 1 d . . . . .
H03R H 0.291710 0.211273 0.500403 0.037 Uiso 1 1 calc R U . . .
C03S C 0.5927(3) 0.48889(18) 0.51302(16) 0.0304(12) Uani 1 1 d . . . . .
H03S H 0.589634 0.471594 0.489773 0.036 Uiso 1 1 calc R U . . .
C03T C 0.5778(3) 0.01873(17) 0.34760(14) 0.0239(10) Uani 1 1 d . . . . .
C03U C 0.5914(3) 0.46731(17) 0.54927(15) 0.0284(12) Uani 1 1 d . . . . .
C03V C 0.5632(3) 0.47413(18) 0.84881(14) 0.0274(11) Uani 1 1 d . . . . .
C03W C 0.4896(3) 0.23868(17) 0.43105(13) 0.0223(10) Uani 1 1 d . . . . .
H03W H 0.474691 0.219965 0.452075 0.027 Uiso 1 1 calc R U . . .
C03X C 0.5040(3) 0.31172(18) 0.40220(14) 0.0301(12) Uani 1 1 d . . . . .
H03X H 0.499766 0.343792 0.403363 0.036 Uiso 1 1 calc R U . . .
C03Y C 0.0897(3) 0.10959(18) 0.55921(14) 0.0248(11) Uani 1 1 d . . . . .
C040 C 0.7598(3) 0.25456(18) 0.84832(13) 0.0231(10) Uani 1 1 d . . . . .
H040 H 0.757351 0.224668 0.838115 0.028 Uiso 1 1 calc R U . . .
C041 C 0.1533(3) 0.2507(2) 0.47801(14) 0.0289(12) Uani 1 1 d . . . . .
H041 H 0.139770 0.219866 0.481632 0.035 Uiso 1 1 calc R U . . .
C042 C 0.6156(3) 0.34842(17) 0.26735(14) 0.0265(11) Uani 1 1 d . . . . .
H042 H 0.632823 0.359617 0.243132 0.032 Uiso 1 1 calc R U . . .
C043 C 0.6826(3) 0.2351(2) 0.18915(15) 0.0324(13) Uani 1 1 d . . . . .
H043 H 0.702898 0.238918 0.163934 0.039 Uiso 1 1 calc R U . . .
C044 C 0.2747(3) 0.1950(2) 0.60642(17) 0.0342(13) Uani 1 1 d . . . . .
H044 H 0.282366 0.163533 0.610617 0.041 Uiso 1 1 calc R U . . .
N045 N 0.6034(4) 0.52111(17) 0.27986(15) 0.0556(17) Uani 1 1 d . . . . .
C046 C 0.4791(3) 0.28457(18) 0.43276(14) 0.0288(12) Uani 1 1 d . . . . .
H046 H 0.455092 0.297861 0.454519 0.035 Uiso 1 1 calc R U . . .
C047 C 0.6631(3) 0.27242(19) 0.21074(14) 0.0284(11) Uani 1 1 d . . . . .
H047 H 0.668630 0.302086 0.200410 0.034 Uiso 1 1 calc R U . . .
C048 C 0.5104(3) -0.00634(17) 0.35105(15) 0.0263(11) Uani 1 1 d . . . . .
H048 H 0.463047 0.008767 0.350569 0.032 Uiso 1 1 calc R U . . .
C049 C 0.6927(3) 0.2877(2) 0.68947(15) 0.0339(13) Uani 1 1 d . . . . .
H049 H 0.713948 0.290209 0.664334 0.041 Uiso 1 1 calc R U . . .
C04A C 0.7676(3) 0.3407(2) 0.87772(17) 0.0339(13) Uani 1 1 d . . . . .
H04D H 0.769419 0.370739 0.887618 0.041 Uiso 1 1 calc R U . . .
C04B C 0.4978(3) 0.2308(2) 0.92437(15) 0.0340(13) Uani 1 1 d . . . . .
H04E H 0.475219 0.244998 0.946118 0.041 Uiso 1 1 calc R U . . .
C04C C 0.6905(3) 0.2458(2) 0.70749(15) 0.0325(12) Uani 1 1 d . . . . .
H04F H 0.709365 0.219479 0.694976 0.039 Uiso 1 1 calc R U . . .
N04D N 0.7359(4) -0.00911(19) 0.75550(17) 0.0593(17) Uani 1 1 d . U . . .
C04E C -0.1487(3) 0.2291(2) 0.49999(16) 0.0334(13) Uani 1 1 d . . . . .
H04H H -0.194676 0.219983 0.487796 0.040 Uiso 1 1 calc R U . . .
C04G C 0.5374(3) 0.1643(2) 0.89115(16) 0.0374(13) Uani 1 1 d . . . . .
H04G H 0.541834 0.132252 0.889365 0.045 Uiso 1 1 calc R U . . .
C04I C 0.6032(4) -0.09087(18) 0.55764(18) 0.0377(14) Uani 1 1 d . . . . .
H04A H 0.608536 -0.098539 0.585228 0.057 Uiso 1 1 calc R U . . .
H04B H 0.646993 -0.102372 0.543501 0.057 Uiso 1 1 calc R U . . .
H04C H 0.557011 -0.104691 0.547101 0.057 Uiso 1 1 calc R U . . .
C04J C 0.4925(3) 0.2642(2) 0.67785(14) 0.0306(12) Uani 1 1 d . . . . .
H04J H 0.479023 0.243737 0.697919 0.037 Uiso 1 1 calc R U . . .
C04K C 0.0228(3) 0.0339(2) 0.55549(18) 0.0375(14) Uani 1 1 d . . . . .
H04K H -0.023490 0.048628 0.549315 0.045 Uiso 1 1 calc R U . . .
C04L C -0.0190(3) 0.2614(2) 0.67370(15) 0.0342(13) Uani 1 1 d . . . . .
H04L H -0.038345 0.239286 0.691008 0.041 Uiso 1 1 calc R U . . .
C04M C 0.0903(4) -0.0838(2) 0.5713(2) 0.0425(15) Uani 1 1 d . . . . .
H04I H 0.096079 -0.091503 0.598878 0.064 Uiso 1 1 calc R U . . .
H04M H 0.132914 -0.096251 0.556827 0.064 Uiso 1 1 calc R U . . .
H04O H 0.042997 -0.096631 0.561201 0.064 Uiso 1 1 calc R U . . .
C04N C 0.3367(3) 0.1748(2) 0.27175(16) 0.0343(13) Uani 1 1 d . . . . .
H04N H 0.288663 0.163793 0.263543 0.041 Uiso 1 1 calc R U . . .
C04O C 0.5932(3) 0.37846(18) 0.29617(14) 0.0291(12) Uani 1 1 d . . . . .
C04P C 0.0029(3) 0.3384(2) 0.65576(15) 0.0337(13) Uani 1 1 d . . . . .
H04P H -0.001902 0.369984 0.660754 0.040 Uiso 1 1 calc R U . . .
C04Q C -0.1339(3) 0.2744(2) 0.50580(15) 0.0334(13) Uani 1 1 d . . . . .
H04Q H -0.169454 0.296754 0.497813 0.040 Uiso 1 1 calc R U . . .
C04R C -0.0658(3) 0.28706(19) 0.52365(14) 0.0302(12) Uani 1 1 d . . . . .
H04R H -0.055599 0.318316 0.527820 0.036 Uiso 1 1 calc R U . . .
C04S C 0.8235(3) 0.2679(2) 0.86890(16) 0.0334(13) Uani 1 1 d . . . . .
H04S H 0.864526 0.247475 0.872513 0.040 Uiso 1 1 calc R U . . .
C04T C 0.4779(3) 0.3094(2) 0.68172(14) 0.0324(13) Uani 1 1 d . . . . .
H04T H 0.453336 0.320395 0.704231 0.039 Uiso 1 1 calc R U . . .
C04U C 0.2075(3) 0.3078(2) 0.43849(16) 0.0393(15) Uani 1 1 d . . . . .
H04U H 0.231877 0.316934 0.415314 0.047 Uiso 1 1 calc R U . . .
C04V C 0.0874(3) 0.3986(2) 0.59879(18) 0.0375(13) Uani 1 1 d . . . . .
H04V H 0.068987 0.413822 0.621088 0.045 Uiso 1 1 calc R U . . .
C04W C 0.0242(3) -0.0122(2) 0.55886(19) 0.0428(15) Uani 1 1 d . . . . .
H04W H -0.021164 -0.029004 0.555493 0.051 Uiso 1 1 calc R U . . .
C04X C 0.0885(3) 0.05981(19) 0.56099(16) 0.0323(12) Uani 1 1 d . . . . .
C050 C 0.6777(3) 0.1594(2) 0.75832(15) 0.0328(12) Uani 1 1 d . . . . .
H050 H 0.704063 0.154286 0.734832 0.039 Uiso 1 1 calc R U . . .
C051 C 0.1515(3) 0.3997(2) 0.53773(17) 0.0355(13) Uani 1 1 d . . . . .
H051 H 0.178713 0.415279 0.518195 0.043 Uiso 1 1 calc R U . . .
C052 C 0.5984(3) 0.53506(18) 0.51142(16) 0.0324(12) Uani 1 1 d . . . . .
H052 H 0.599254 0.549641 0.486821 0.039 Uiso 1 1 calc R U . . .
C053 C 0.3281(3) 0.2267(2) 0.61839(17) 0.0355(13) Uani 1 1 d . . . . .
H053 H 0.372884 0.216709 0.631228 0.043 Uiso 1 1 calc R U . . .
C054 C 0.6461(3) -0.05165(18) 0.35184(15) 0.0300(12) Uani 1 1 d . . . . .
H054 H 0.692543 -0.067799 0.352300 0.036 Uiso 1 1 calc R U . . .
C055 C 0.6262(3) 0.5004(2) 0.85794(16) 0.0358(13) Uani 1 1 d . . . . .
H055 H 0.674267 0.486690 0.861656 0.043 Uiso 1 1 calc R U . . .
C056 C 0.6644(3) 0.1237(2) 0.78430(16) 0.0356(13) Uani 1 1 d . . . . .
C057 C 0.8175(3) 0.2655(2) 0.60478(17) 0.0366(13) Uani 1 1 d . . . . .
H057 H 0.854637 0.287510 0.611380 0.044 Uiso 1 1 calc R U . . .
C058 C 0.6269(3) 0.13208(19) 0.81884(17) 0.0352(13) Uani 1 1 d . . . . .
H058 H 0.618244 0.108218 0.836784 0.042 Uiso 1 1 calc R U . . .
C059 C 0.5967(4) 0.49410(19) 0.58241(17) 0.0390(14) Uani 1 1 d . . . . .
H059 H 0.596283 0.480310 0.607345 0.047 Uiso 1 1 calc R U . . .
C05A C 0.5981(4) 0.4282(2) 0.29043(15) 0.0375(14) Uani 1 1 d . . . . .
C05B C 0.5038(3) 0.1843(2) 0.92300(17) 0.0401(14) Uani 1 1 d . . . . .
H05J H 0.485158 0.166213 0.943606 0.048 Uiso 1 1 calc R U . . .
C05C C 0.8268(3) 0.3106(2) 0.88399(18) 0.0394(14) Uani 1 1 d . . . . .
H05K H 0.869709 0.319827 0.898821 0.047 Uiso 1 1 calc R U . . .
C05D C 0.7785(3) 0.1882(2) 0.5993(2) 0.0467(16) Uani 1 1 d . . . . .
H05D H 0.788493 0.156712 0.601888 0.056 Uiso 1 1 calc R U . . .
C05E C 0.6027(4) 0.61012(18) 0.54071(18) 0.0468(17) Uani 1 1 d . . . . .
H05A H 0.624414 0.619136 0.515809 0.070 Uiso 1 1 calc R U . . .
H05B H 0.632974 0.623010 0.562016 0.070 Uiso 1 1 calc R U . . .
H05C H 0.550740 0.621351 0.542275 0.070 Uiso 1 1 calc R U . . .
C05F C 0.6615(3) 0.02902(19) 0.5523(2) 0.0427(15) Uani 1 1 d . . . . .
H05F H 0.707574 0.045537 0.551852 0.051 Uiso 1 1 calc R U . . .
C05G C 0.5818(3) -0.12384(19) 0.36208(18) 0.0381(14) Uani 1 1 d . . . . .
H05E H 0.601531 -0.130006 0.388263 0.057 Uiso 1 1 calc R U . . .
H05G H 0.614526 -0.138181 0.342868 0.057 Uiso 1 1 calc R U . . .
H05H H 0.530555 -0.136148 0.359545 0.057 Uiso 1 1 calc R U . . .
C05H C 0.6903(4) 0.0773(2) 0.77427(18) 0.0463(16) Uani 1 1 d . U . . .
C05I C 0.6629(4) -0.0173(2) 0.5529(2) 0.0470(16) Uani 1 1 d . . . . .
H05I H 0.710119 -0.032595 0.553155 0.056 Uiso 1 1 calc R U . . .
C05J C 0.4891(3) 0.5426(2) 0.84713(18) 0.0380(13) Uani 1 1 d . . . . .
H05L H 0.442044 0.557337 0.842928 0.046 Uiso 1 1 calc R U . . .
C05K C 0.4945(3) 0.49637(19) 0.84402(17) 0.0356(13) Uani 1 1 d . . . . .
H05M H 0.450276 0.479182 0.838478 0.043 Uiso 1 1 calc R U . . .
C05L C 0.1891(3) 0.2631(2) 0.44406(16) 0.0394(14) Uani 1 1 d . . . . .
H05V H 0.200672 0.240998 0.424949 0.047 Uiso 1 1 calc R U . . .
C05M C -0.0261(3) 0.3068(2) 0.68147(16) 0.0363(13) Uani 1 1 d . . . . .
H05W H -0.050890 0.316521 0.704352 0.044 Uiso 1 1 calc R U . . .
C05N C 0.6178(3) 0.5469(2) 0.86153(18) 0.0393(14) Uani 1 1 d . . . . .
H05N H 0.660505 0.564996 0.867959 0.047 Uiso 1 1 calc R U . . .
C05O C 0.6198(4) 0.4472(2) 0.25499(17) 0.0493(18) Uani 1 1 d . . . . .
H05O H 0.632653 0.428146 0.233820 0.059 Uiso 1 1 calc R U . . .
C05P C 0.6026(4) 0.5399(2) 0.57936(17) 0.0466(17) Uani 1 1 d . . . . .
H05P H 0.606637 0.557907 0.602180 0.056 Uiso 1 1 calc R U . . .
C05Q C 0.8315(4) 0.2201(2) 0.6104(2) 0.056(2) Uani 1 1 d . . . . .
H05Q H 0.877903 0.210634 0.621928 0.067 Uiso 1 1 calc R U . . .
C05R C 0.5445(4) 0.61677(19) 0.8603(2) 0.0436(15) Uani 1 1 d . . . . .
H05R H 0.571664 0.631550 0.839082 0.065 Uiso 1 1 calc R U . . .
H05S H 0.566581 0.626078 0.885230 0.065 Uiso 1 1 calc R U . . .
H05T H 0.491151 0.625657 0.859171 0.065 Uiso 1 1 calc R U . . .
C05U C 0.6224(5) 0.4930(2) 0.25099(18) 0.055(2) Uani 1 1 d . . . . .
H05U H 0.638273 0.505532 0.226983 0.066 Uiso 1 1 calc R U . . .
C05V C 0.1287(4) 0.4225(2) 0.5708(2) 0.0537(15) Uani 1 1 d . U . . .
C05X C 0.1543(3) 0.0353(2) 0.5689(2) 0.060(2) Uani 1 1 d . . . . .
H05X H 0.200630 0.051082 0.572407 0.072 Uiso 1 1 calc R U . . .
C05Y C 0.1533(4) -0.0109(2) 0.5716(3) 0.064(2) Uani 1 1 d . . . . .
H05Y H 0.198922 -0.026791 0.577018 0.077 Uiso 1 1 calc R U . . .
C05Z C 0.1486(5) 0.4707(2) 0.5773(3) 0.0686(14) Uani 1 1 d . U . . .
C060 C 0.5826(5) 0.4587(2) 0.32001(18) 0.059(2) Uani 1 1 d . . . . .
H060 H 0.571217 0.447464 0.345147 0.071 Uiso 1 1 calc R U . . .
C061 C 0.7096(4) 0.0461(2) 0.8032(2) 0.0542(18) Uani 1 1 d . U . . .
H061 H 0.707253 0.054349 0.829820 0.065 Uiso 1 1 calc R U . . .
C064 C 0.7579(5) -0.0559(2) 0.7449(2) 0.071(3) Uani 1 1 d . U . . .
H06D H 0.811972 -0.060121 0.750201 0.106 Uiso 1 1 calc R U . . .
H06E H 0.747518 -0.060894 0.717240 0.106 Uiso 1 1 calc R U . . .
H06F H 0.728851 -0.077525 0.760330 0.106 Uiso 1 1 calc R U . . .
C066 C 0.7322(5) 0.0028(2) 0.7926(2) 0.064(2) Uani 1 1 d . U . . .
H066 H 0.745263 -0.018617 0.812189 0.077 Uiso 1 1 calc R U . . .
C067 C 0.6017(6) 0.5704(2) 0.2734(2) 0.074(3) Uani 1 1 d . . . . .
H06A H 0.647822 0.579817 0.260106 0.111 Uiso 1 1 calc R U . . .
H06B H 0.598463 0.586097 0.298403 0.111 Uiso 1 1 calc R U . . .
H06C H 0.557554 0.578254 0.257262 0.111 Uiso 1 1 calc R U . . .
C068 C 0.5832(6) 0.5044(2) 0.31377(19) 0.072(3) Uani 1 1 d . . . . .
H068 H 0.568929 0.524353 0.334049 0.086 Uiso 1 1 calc R U . . .
N069 N 0.1921(5) 0.5569(2) 0.5950(3) 0.0989(17) Uani 1 1 d . U . . .
C06C C 0.0998(5) 0.4993(3) 0.5956(3) 0.0802(16) Uani 1 1 d . U . . .
H06G H 0.051920 0.488473 0.603748 0.096 Uiso 1 1 calc R U . . .
C06F C 0.2179(5) 0.4867(3) 0.5671(3) 0.0788(16) Uani 1 1 d . U . . .
H06H H 0.251467 0.467555 0.553377 0.095 Uiso 1 1 calc R U . . .
C06J C 0.2398(5) 0.5300(3) 0.5764(3) 0.0905(17) Uani 1 1 d . U . . .
H06J H 0.288621 0.540564 0.569683 0.109 Uiso 1 1 calc R U . . .
C06K C 0.6958(7) 0.0643(3) 0.7370(2) 0.105(3) Uani 1 1 d . U . . .
H06K H 0.682469 0.084665 0.716657 0.127 Uiso 1 1 calc R U . . .
C06N C 0.1197(6) 0.5435(3) 0.6023(3) 0.0931(18) Uani 1 1 d . U . . .
H06N H 0.083781 0.564513 0.611871 0.112 Uiso 1 1 calc R U . . .
C06O C 0.7212(8) 0.0205(3) 0.7281(3) 0.114(4) Uani 1 1 d . U . . .
H06O H 0.727933 0.012196 0.701677 0.137 Uiso 1 1 calc R U . . .
C8 C 0.2132(7) 0.6055(4) 0.6013(4) 0.128(3) Uani 1 1 d . U . . .
H8A H 0.267071 0.607586 0.608009 0.192 Uiso 1 1 calc R U . . .
H8B H 0.183253 0.618097 0.622465 0.192 Uiso 1 1 calc R U . . .
H8C H 0.203213 0.622761 0.577414 0.192 Uiso 1 1 calc R U . . .
Cl1 Cl -0.2389(3) 0.13864(16) 0.47526(13) 0.1501(14) Uani 1 1 d . . . . .
Cl2 Cl 0.2992(2) 0.15494(12) 0.80450(11) 0.1276(11) Uani 1 1 d . . . . .
Cl3 Cl 1.2457(3) 0.1391(2) 0.48508(17) 0.195(2) Uani 1 1 d . . . . .
Cl4 Cl 0.5757(3) 0.53240(19) 0.39864(16) 0.1868(19) 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
Co01 N00H 1.889(4) . ?
Co01 N00J 2.072(4) . ?
Co01 N00K 2.072(4) . ?
Co01 N00M 1.887(4) . ?
Co01 N00N 2.055(4) . ?
Co01 N00P 2.088(4) . ?
Co02 N00L 1.910(4) . ?
Co02 N00O 2.021(4) . ?
Co02 N00Q 2.139(4) . ?
Co02 N00S 2.013(4) . ?
Co02 N00T 1.851(4) . ?
Co02 N010 2.113(4) . ?
Co03 N00U 1.916(4) . ?
Co03 N00V 1.984(4) . ?
Co03 N00W 1.989(4) . ?
Co03 N00X 2.144(4) . ?
Co03 N00Y 1.861(4) . ?
Co03 N012 2.159(4) . ?
Co04 N00R 1.884(4) . ?
Co04 N00Z 2.069(4) . ?
Co04 N011 2.087(4) . ?
Co04 N013 1.895(5) . ?
Co04 N014 2.071(4) . ?
Co04 N017 2.058(4) . ?
N00H C01M 1.352(6) . ?
N00H C01N 1.348(6) . ?
N00J C01E 1.340(6) . ?
N00J C01Z 1.341(6) . ?
N00K C01D 1.356(6) . ?
N00K C01T 1.342(6) . ?
N00L C01C 1.349(6) . ?
N00L C021 1.357(6) . ?
N00M C01A 1.347(6) . ?
N00M C01J 1.344(6) . ?
N00N C018 1.370(6) . ?
N00N C02K 1.330(6) . ?
N00O C025 1.365(6) . ?
N00O C02D 1.339(6) . ?
N00P C01H 1.350(6) . ?
N00P C01Q 1.349(6) . ?
N00Q C01O 1.356(6) . ?
N00Q C02R 1.338(6) . ?
N00R C028 1.354(6) . ?
N00R C02Y 1.353(6) . ?
N00S C01X 1.359(6) . ?
N00S C026 1.338(6) . ?
N00T C027 1.369(6) . ?
N00T C02T 1.350(6) . ?
N00U C022 1.363(6) . ?
N00U C02F 1.354(6) . ?
N00V C02U 1.353(6) . ?
N00V C030 1.350(7) . ?
N00W C02S 1.365(7) . ?
N00W C039 1.346(7) . ?
N00X C02H 1.344(7) . ?
N00X C040 1.343(6) . ?
N00Y C03K 1.356(7) . ?
N00Y C03N 1.346(6) . ?
N00Z C033 1.339(7) . ?
N00Z C03G 1.341(7) . ?
N010 C01K 1.357(6) . ?
N010 C03F 1.336(6) . ?
N011 C02L 1.338(7) . ?
N011 C02Q 1.357(7) . ?
N012 C01B 1.352(6) . ?
N012 C03O 1.327(6) . ?
N013 C02W 1.366(6) . ?
N013 C032 1.342(7) . ?
N014 C02A 1.350(7) . ?
N014 C041 1.323(7) . ?
N016 C02M 1.345(7) . ?
N016 C054 1.355(7) . ?
N016 C05G 1.478(7) . ?
N017 C02V 1.367(7) . ?
N017 C04R 1.347(7) . ?
C018 C01A 1.462(6) . ?
C018 C02N 1.388(7) . ?
N019 C020 1.346(7) . ?
N019 C04I 1.469(7) . ?
N019 C05I 1.338(7) . ?
C01A C01Y 1.389(6) . ?
C01B C01F 1.386(7) . ?
C01B C022 1.467(7) . ?
C01C C01G 1.370(7) . ?
C01C C01O 1.483(6) . ?
C01D C01M 1.484(6) . ?
C01D C01V 1.375(7) . ?
C01E C01J 1.467(6) . ?
C01E C05D 1.387(7) . ?
C01F H01F 0.9500 . ?
C01F C03C 1.397(7) . ?
C01G H01G 0.9500 . ?
C01G C01R 1.386(7) . ?
C01H C01N 1.491(6) . ?
C01H C037 1.382(7) . ?
N01I C05J 1.333(8) . ?
N01I C05N 1.335(8) . ?
N01I C05R 1.489(7) . ?
C01J C023 1.387(7) . ?
C01K C021 1.474(6) . ?
C01K C02X 1.391(7) . ?
N01L C04M 1.481(7) . ?
N01L C04W 1.336(8) . ?
N01L C05Y 1.336(8) . ?
C01M C02E 1.363(7) . ?
C01N C029 1.374(7) . ?
C01O C02I 1.379(6) . ?
N01P C052 1.340(7) . ?
N01P C05E 1.476(7) . ?
N01P C05P 1.363(8) . ?
C01Q H01Q 0.9500 . ?
C01Q C04J 1.395(7) . ?
C01R C02B 1.388(7) . ?
C01R C03T 1.474(7) . ?
C01T H01T 0.9500 . ?
C01T C02G 1.373(7) . ?
C01U H01U 0.9500 . ?
C01U C024 1.398(7) . ?
C01U C02F 1.390(7) . ?
C01V H01V 0.9500 . ?
C01V C036 1.388(7) . ?
C01W H01W 0.9500 . ?
C01W C020 1.374(7) . ?
C01W C03J 1.403(7) . ?
C01X C027 1.475(6) . ?
C01X C03X 1.377(7) . ?
C01Y H01Y 0.9500 . ?
C01Y C02P 1.393(7) . ?
C01Z H01Z 0.9500 . ?
C01Z C057 1.379(8) . ?
C020 H020 0.9500 . ?
C021 C02B 1.378(7) . ?
C022 C02J 1.379(7) . ?
C023 H023 0.9500 . ?
C023 C02P 1.395(7) . ?
C024 C02J 1.405(7) . ?
C024 C03V 1.492(7) . ?
C025 C02T 1.459(7) . ?
C025 C047 1.374(7) . ?
C026 H026 0.9500 . ?
C026 C03W 1.389(7) . ?
C027 C03Q 1.372(7) . ?
C028 C02O 1.394(7) . ?
C028 C02V 1.459(7) . ?
C029 H029 0.9500 . ?
C029 C038 1.395(7) . ?
C02A C02W 1.476(8) . ?
C02A C034 1.390(7) . ?
C02B H02B 0.9500 . ?
C02D H02D 0.9500 . ?
C02D C03I 1.384(8) . ?
C02E H02E 0.9500 . ?
C02E C038 1.412(7) . ?
C02F C02H 1.478(7) . ?
C02G H02G 0.9500 . ?
C02G C036 1.376(7) . ?
C02H C04A 1.391(7) . ?
C02I H02I 0.9500 . ?
C02I C03B 1.382(7) . ?
C02J H02J 0.9500 . ?
C02K H02K 0.9500 . ?
C02K C03H 1.399(7) . ?
C02L H02L 0.9500 . ?
C02L C04L 1.404(7) . ?
C02M H02M 0.9500 . ?
C02M C048 1.368(7) . ?
C02N H02N 0.9500 . ?
C02N C03R 1.383(7) . ?
C02O H02O 0.9500 . ?
C02O C03Y 1.412(7) . ?
C02P C03J 1.488(7) . ?
C02Q C032 1.477(7) . ?
C02Q C04P 1.382(7) . ?
C02R H02R 0.9500 . ?
C02R C02Z 1.377(7) . ?
C02S C03N 1.463(7) . ?
C02S C04C 1.393(7) . ?
C02T C042 1.387(7) . ?
C02U H02U 0.9500 . ?
C02U C04B 1.375(7) . ?
C02V C031 1.381(7) . ?
C02W C051 1.389(8) . ?
C02X H02X 0.9500 . ?
C02X C04N 1.396(7) . ?
C02Y C035 1.365(7) . ?
C02Y C03G 1.478(7) . ?
C02Z H02Z 0.9500 . ?
C02Z C03B 1.380(7) . ?
C030 C03K 1.471(7) . ?
C030 C04G 1.390(7) . ?
C031 H031 0.9500 . ?
C031 C04E 1.401(7) . ?
C032 C04V 1.367(8) . ?
C033 H033 0.9500 . ?
C033 C03L 1.389(7) . ?
C034 H034 0.9500 . ?
C034 C04U 1.411(9) . ?
C035 H035 0.9500 . ?
C035 C03Y 1.394(7) . ?
C036 H036 0.9500 . ?
C037 H037 0.9500 . ?
C037 C04T 1.393(7) . ?
C038 C03U 1.468(7) . ?
C039 H039 0.9500 . ?
C039 C03P 1.368(7) . ?
C03B H03B 0.9500 . ?
C03C H03C 0.9500 . ?
C03C C03E 1.376(8) . ?
C03D H03D 0.9500 . ?
C03D C03F 1.378(7) . ?
C03D C04N 1.393(8) . ?
C03E H03E 0.9500 . ?
C03E C03O 1.389(7) . ?
C03F H03F 0.9500 . ?
C03G C044 1.377(7) . ?
C03H H03H 0.9500 . ?
C03H C03R 1.376(8) . ?
C03I H03I 0.9500 . ?
C03I C043 1.368(8) . ?
C03J C05F 1.389(7) . ?
C03K C058 1.380(8) . ?
C03L H03L 0.9500 . ?
C03L C053 1.366(8) . ?
C03M H03M 0.9500 . ?
C03M C03T 1.407(7) . ?
C03M C054 1.366(7) . ?
C03N C050 1.384(7) . ?
C03O H03O 0.9500 . ?
C03P H03P 0.9500 . ?
C03P C049 1.382(8) . ?
C03Q H03Q 0.9500 . ?
C03Q C04O 1.386(7) . ?
C03R H03R 0.9500 . ?
C03S H03S 0.9500 . ?
C03S C03U 1.401(7) . ?
C03S C052 1.367(7) . ?
C03T C048 1.408(7) . ?
C03U C059 1.390(8) . ?
C03V C055 1.392(8) . ?
C03V C05K 1.390(8) . ?
C03W H03W 0.9500 . ?
C03W C046 1.368(7) . ?
C03X H03X 0.9500 . ?
C03X C046 1.397(7) . ?
C03Y C04X 1.470(8) . ?
C040 H040 0.9500 . ?
C040 C04S 1.382(7) . ?
C041 H041 0.9500 . ?
C041 C05L 1.384(8) . ?
C042 H042 0.9500 . ?
C042 C04O 1.392(7) . ?
C043 H043 0.9500 . ?
C043 C047 1.375(8) . ?
C044 H044 0.9500 . ?
C044 C053 1.388(8) . ?
N045 C05U 1.340(8) . ?
N045 C067 1.473(8) . ?
N045 C068 1.320(8) . ?
C046 H046 0.9500 . ?
C047 H047 0.9500 . ?
C048 H048 0.9500 . ?
C049 H049 0.9500 . ?
C049 C04C 1.383(8) . ?
C04A H04D 0.9500 . ?
C04A C05C 1.387(8) . ?
C04B H04E 0.9500 . ?
C04B C05B 1.377(9) . ?
C04C H04F 0.9500 . ?
N04D C064 1.480(8) . ?
N04D C066 1.327(9) . ?
N04D C06O 1.311(11) . ?
C04E H04H 0.9500 . ?
C04E C04Q 1.375(8) . ?
C04G H04G 0.9500 . ?
C04G C05B 1.386(8) . ?
C04I H04A 0.9800 . ?
C04I H04B 0.9800 . ?
C04I H04C 0.9800 . ?
C04J H04J 0.9500 . ?
C04J C04T 1.364(8) . ?
C04K H04K 0.9500 . ?
C04K C04W 1.363(8) . ?
C04K C04X 1.403(8) . ?
C04L H04L 0.9500 . ?
C04L C05M 1.371(9) . ?
C04M H04I 0.9800 . ?
C04M H04M 0.9800 . ?
C04M H04O 0.9800 . ?
C04N H04N 0.9500 . ?
C04O C05A 1.484(8) . ?
C04P H04P 0.9500 . ?
C04P C05M 1.390(8) . ?
C04Q H04Q 0.9500 . ?
C04Q C04R 1.398(8) . ?
C04R H04R 0.9500 . ?
C04S H04S 0.9500 . ?
C04S C05C 1.365(8) . ?
C04T H04T 0.9500 . ?
C04U H04U 0.9500 . ?
C04U C05L 1.373(9) . ?
C04V H04V 0.9500 . ?
C04V C05V 1.405(8) . ?
C04W H04W 0.9500 . ?
C04X C05X 1.394(8) . ?
C050 H050 0.9500 . ?
C050 C056 1.403(8) . ?
C051 H051 0.9500 . ?
C051 C05V 1.386(9) . ?
C052 H052 0.9500 . ?
C053 H053 0.9500 . ?
C054 H054 0.9500 . ?
C055 H055 0.9500 . ?
C055 C05N 1.384(8) . ?
C056 C058 1.391(8) . ?
C056 C05H 1.483(8) . ?
C057 H057 0.9500 . ?
C057 C05Q 1.375(9) . ?
C058 H058 0.9500 . ?
C059 H059 0.9500 . ?
C059 C05P 1.360(8) . ?
C05A C05O 1.400(8) . ?
C05A C060 1.387(8) . ?
C05B H05J 0.9500 . ?
C05C H05K 0.9500 . ?
C05D H05D 0.9500 . ?
C05D C05Q 1.379(8) . ?
C05E H05A 0.9800 . ?
C05E H05B 0.9800 . ?
C05E H05C 0.9800 . ?
C05F H05F 0.9500 . ?
C05F C05I 1.366(8) . ?
C05G H05E 0.9800 . ?
C05G H05G 0.9800 . ?
C05G H05H 0.9800 . ?
C05H C061 1.397(9) . ?
C05H C06K 1.346(10) . ?
C05I H05I 0.9500 . ?
C05J H05L 0.9500 . ?
C05J C05K 1.371(8) . ?
C05K H05M 0.9500 . ?
C05L H05V 0.9500 . ?
C05M H05W 0.9500 . ?
C05N H05N 0.9500 . ?
C05O H05O 0.9500 . ?
C05O C05U 1.360(8) . ?
C05P H05P 0.9500 . ?
C05Q H05Q 0.9500 . ?
C05R H05R 0.9800 . ?
C05R H05S 0.9800 . ?
C05R H05T 0.9800 . ?
C05U H05U 0.9500 . ?
C05V C05Z 1.482(9) . ?
C05X H05X 0.9500 . ?
C05X C05Y 1.366(9) . ?
C05Y H05Y 0.9500 . ?
C05Z C06C 1.367(10) . ?
C05Z C06F 1.362(10) . ?
C060 H060 0.9500 . ?
C060 C068 1.365(9) . ?
C061 H061 0.9500 . ?
C061 C066 1.388(9) . ?
C064 H06D 0.9800 . ?
C064 H06E 0.9800 . ?
C064 H06F 0.9800 . ?
C066 H066 0.9500 . ?
C067 H06A 0.9800 . ?
C067 H06B 0.9800 . ?
C067 H06C 0.9800 . ?
C068 H068 0.9500 . ?
N069 C06J 1.327(10) . ?
N069 C06N 1.368(11) . ?
N069 C8 1.498(11) . ?
C06C H06G 0.9500 . ?
C06C C06N 1.369(11) . ?
C06F H06H 0.9500 . ?
C06F C06J 1.371(11) . ?
C06J H06J 0.9500 . ?
C06K H06K 0.9500 . ?
C06K C06O 1.401(11) . ?
C06N H06N 0.9500 . ?
C06O H06O 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 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
N00H Co01 N00J 101.21(16) . . ?
N00H Co01 N00K 80.52(15) . . ?
N00H Co01 N00N 98.15(16) . . ?
N00H Co01 N00P 79.37(15) . . ?
N00J Co01 N00P 93.74(15) . . ?
N00K Co01 N00J 89.03(14) . . ?
N00K Co01 N00P 159.85(16) . . ?
N00M Co01 N00H 177.08(15) . . ?
N00M Co01 N00J 80.16(16) . . ?
N00M Co01 N00K 96.97(15) . . ?
N00M Co01 N00N 80.46(15) . . ?
N00M Co01 N00P 103.17(15) . . ?
N00N Co01 N00J 160.61(16) . . ?
N00N Co01 N00K 93.07(14) . . ?
N00N Co01 N00P 90.89(15) . . ?
N00L Co02 N00O 101.46(16) . . ?
N00L Co02 N00Q 79.17(15) . . ?
N00L Co02 N00S 96.55(16) . . ?
N00L Co02 N010 79.68(16) . . ?
N00O Co02 N00Q 92.08(14) . . ?
N00O Co02 N010 90.51(15) . . ?
N00S Co02 N00O 161.95(17) . . ?
N00S Co02 N00Q 92.40(14) . . ?
N00S Co02 N010 91.61(15) . . ?
N00T Co02 N00L 177.91(16) . . ?
N00T Co02 N00O 80.63(16) . . ?
N00T Co02 N00Q 100.85(16) . . ?
N00T Co02 N00S 81.36(16) . . ?
N00T Co02 N010 100.34(16) . . ?
N010 Co02 N00Q 158.79(16) . . ?
N00U Co03 N00V 100.11(17) . . ?
N00U Co03 N00W 97.38(17) . . ?
N00U Co03 N00X 78.99(16) . . ?
N00U Co03 N012 78.93(16) . . ?
N00V Co03 N00W 162.48(18) . . ?
N00V Co03 N00X 91.83(15) . . ?
N00V Co03 N012 91.51(16) . . ?
N00W Co03 N00X 92.60(15) . . ?
N00W Co03 N012 90.74(15) . . ?
N00X Co03 N012 157.92(16) . . ?
N00Y Co03 N00U 175.08(17) . . ?
N00Y Co03 N00V 81.41(18) . . ?
N00Y Co03 N00W 81.26(17) . . ?
N00Y Co03 N00X 96.32(17) . . ?
N00Y Co03 N012 105.77(17) . . ?
N00R Co04 N00Z 80.33(17) . . ?
N00R Co04 N011 99.72(17) . . ?
N00R Co04 N013 176.30(17) . . ?
N00R Co04 N014 99.96(17) . . ?
N00R Co04 N017 80.34(17) . . ?
N00Z Co04 N011 92.10(16) . . ?
N00Z Co04 N014 90.57(15) . . ?
N013 Co04 N00Z 95.99(17) . . ?
N013 Co04 N011 79.97(17) . . ?
N013 Co04 N014 80.35(17) . . ?
N013 Co04 N017 103.35(17) . . ?
N014 Co04 N011 160.31(18) . . ?
N017 Co04 N00Z 160.64(18) . . ?
N017 Co04 N011 92.18(16) . . ?
N017 Co04 N014 91.73(15) . . ?
C01M N00H Co01 119.7(3) . . ?
C01N N00H Co01 120.9(3) . . ?
C01N N00H C01M 119.3(4) . . ?
C01E N00J Co01 112.6(3) . . ?
C01E N00J C01Z 119.4(4) . . ?
C01Z N00J Co01 128.0(3) . . ?
C01D N00K Co01 112.7(3) . . ?
C01T N00K Co01 128.7(3) . . ?
C01T N00K C01D 118.5(4) . . ?
C01C N00L Co02 120.5(3) . . ?
C01C N00L C021 119.9(4) . . ?
C021 N00L Co02 119.7(3) . . ?
C01A N00M Co01 119.6(3) . . ?
C01J N00M Co01 119.4(3) . . ?
C01J N00M C01A 120.8(4) . . ?
C018 N00N Co01 112.7(3) . . ?
C02K N00N Co01 128.2(3) . . ?
C02K N00N C018 119.1(4) . . ?
C025 N00O Co02 113.4(3) . . ?
C02D N00O Co02 127.5(4) . . ?
C02D N00O C025 119.1(4) . . ?
C01H N00P Co01 113.4(3) . . ?
C01Q N00P Co01 127.4(3) . . ?
C01Q N00P C01H 118.8(4) . . ?
C01O N00Q Co02 111.8(3) . . ?
C02R N00Q Co02 129.5(3) . . ?
C02R N00Q C01O 118.4(4) . . ?
C028 N00R Co04 119.4(3) . . ?
C02Y N00R Co04 120.2(3) . . ?
C02Y N00R C028 120.4(4) . . ?
C01X N00S Co02 113.4(3) . . ?
C026 N00S Co02 127.8(3) . . ?
C026 N00S C01X 118.7(4) . . ?
C027 N00T Co02 120.0(3) . . ?
C02T N00T Co02 120.5(3) . . ?
C02T N00T C027 119.6(4) . . ?
C022 N00U Co03 119.8(3) . . ?
C02F N00U Co03 119.9(3) . . ?
C02F N00U C022 119.9(4) . . ?
C02U N00V Co03 127.3(4) . . ?
C030 N00V Co03 114.0(3) . . ?
C030 N00V C02U 118.6(4) . . ?
C02S N00W Co03 113.9(3) . . ?
C039 N00W Co03 127.8(4) . . ?
C039 N00W C02S 118.3(4) . . ?
C02H N00X Co03 112.2(3) . . ?
C040 N00X Co03 128.9(3) . . ?
C040 N00X C02H 118.7(4) . . ?
C03K N00Y Co03 119.3(3) . . ?
C03N N00Y Co03 118.9(3) . . ?
C03N N00Y C03K 121.3(4) . . ?
C033 N00Z Co04 129.1(4) . . ?
C033 N00Z C03G 118.6(4) . . ?
C03G N00Z Co04 112.2(3) . . ?
C01K N010 Co02 112.4(3) . . ?
C03F N010 Co02 128.5(3) . . ?
C03F N010 C01K 119.0(4) . . ?
C02L N011 Co04 129.0(4) . . ?
C02L N011 C02Q 118.3(4) . . ?
C02Q N011 Co04 112.5(3) . . ?
C01B N012 Co03 111.9(3) . . ?
C03O N012 Co03 128.9(3) . . ?
C03O N012 C01B 119.2(4) . . ?
C02W N013 Co04 118.8(4) . . ?
C032 N013 Co04 119.8(3) . . ?
C032 N013 C02W 120.7(5) . . ?
C02A N014 Co04 112.9(3) . . ?
C041 N014 Co04 127.7(4) . . ?
C041 N014 C02A 119.3(4) . . ?
C02M N016 C054 121.4(4) . . ?
C02M N016 C05G 119.5(4) . . ?
C054 N016 C05G 119.0(5) . . ?
C02V N017 Co04 113.1(3) . . ?
C04R N017 Co04 128.0(4) . . ?
C04R N017 C02V 118.8(4) . . ?
N00N C018 C01A 113.8(4) . . ?
N00N C018 C02N 121.1(4) . . ?
C02N C018 C01A 125.2(4) . . ?
C020 N019 C04I 120.7(5) . . ?
C05I N019 C020 120.1(5) . . ?
C05I N019 C04I 119.1(5) . . ?
N00M C01A C018 113.4(4) . . ?
N00M C01A C01Y 120.7(4) . . ?
C01Y C01A C018 125.9(4) . . ?
N012 C01B C01F 121.7(4) . . ?
N012 C01B C022 114.7(4) . . ?
C01F C01B C022 123.5(4) . . ?
N00L C01C C01G 121.1(4) . . ?
N00L C01C C01O 113.7(4) . . ?
C01G C01C C01O 125.1(4) . . ?
N00K C01D C01M 114.0(4) . . ?
N00K C01D C01V 122.3(4) . . ?
C01V C01D C01M 123.7(4) . . ?
N00J C01E C01J 114.3(4) . . ?
N00J C01E C05D 122.0(5) . . ?
C05D C01E C01J 123.7(5) . . ?
C01B C01F H01F 120.8 . . ?
C01B C01F C03C 118.5(5) . . ?
C03C C01F H01F 120.7 . . ?
C01C C01G H01G 120.0 . . ?
C01C C01G C01R 120.0(4) . . ?
C01R C01G H01G 120.0 . . ?
N00P C01H C01N 113.2(4) . . ?
N00P C01H C037 122.8(4) . . ?
C037 C01H C01N 123.9(4) . . ?
C05J N01I C05N 121.5(5) . . ?
C05J N01I C05R 119.4(5) . . ?
C05N N01I C05R 119.1(5) . . ?
N00M C01J C01E 113.3(4) . . ?
N00M C01J C023 120.7(4) . . ?
C023 C01J C01E 126.0(4) . . ?
N010 C01K C021 114.4(4) . . ?
N010 C01K C02X 122.2(4) . . ?
C02X C01K C021 123.4(5) . . ?
C04W N01L C04M 120.8(5) . . ?
C05Y N01L C04M 118.5(5) . . ?
C05Y N01L C04W 120.7(5) . . ?
N00H C01M C01D 112.9(4) . . ?
N00H C01M C02E 121.9(4) . . ?
C02E C01M C01D 125.2(4) . . ?
N00H C01N C01H 112.6(4) . . ?
N00H C01N C029 121.7(4) . . ?
C029 C01N C01H 125.7(4) . . ?
N00Q C01O C01C 114.3(4) . . ?
N00Q C01O C02I 121.7(4) . . ?
C02I C01O C01C 124.0(4) . . ?
C052 N01P C05E 119.5(5) . . ?
C052 N01P C05P 120.2(5) . . ?
C05P N01P C05E 120.2(5) . . ?
N00P C01Q H01Q 119.5 . . ?
N00P C01Q C04J 120.9(5) . . ?
C04J C01Q H01Q 119.5 . . ?
C01G C01R C02B 118.3(4) . . ?
C01G C01R C03T 121.0(4) . . ?
C02B C01R C03T 120.7(4) . . ?
N00K C01T H01T 119.0 . . ?
N00K C01T C02G 122.0(4) . . ?
C02G C01T H01T 119.0 . . ?
C024 C01U H01U 120.0 . . ?
C02F C01U H01U 120.0 . . ?
C02F C01U C024 120.0(4) . . ?
C01D C01V H01V 120.8 . . ?
C01D C01V C036 118.5(5) . . ?
C036 C01V H01V 120.8 . . ?
C020 C01W H01W 120.5 . . ?
C020 C01W C03J 119.1(5) . . ?
C03J C01W H01W 120.5 . . ?
N00S C01X C027 113.6(4) . . ?
N00S C01X C03X 122.4(4) . . ?
C03X C01X C027 124.0(5) . . ?
C01A C01Y H01Y 120.2 . . ?
C01A C01Y C02P 119.6(4) . . ?
C02P C01Y H01Y 120.2 . . ?
N00J C01Z H01Z 119.2 . . ?
N00J C01Z C057 121.7(5) . . ?
C057 C01Z H01Z 119.2 . . ?
N019 C020 C01W 121.5(5) . . ?
N019 C020 H020 119.2 . . ?
C01W C020 H020 119.3 . . ?
N00L C021 C01K 113.8(4) . . ?
N00L C021 C02B 120.6(4) . . ?
C02B C021 C01K 125.6(4) . . ?
N00U C022 C01B 114.4(4) . . ?
N00U C022 C02J 120.9(4) . . ?
C02J C022 C01B 124.6(4) . . ?
C01J C023 H023 120.1 . . ?
C01J C023 C02P 119.8(4) . . ?
C02P C023 H023 120.1 . . ?
C01U C024 C02J 117.6(5) . . ?
C01U C024 C03V 122.0(5) . . ?
C02J C024 C03V 120.4(4) . . ?
N00O C025 C02T 113.1(4) . . ?
N00O C025 C047 121.2(4) . . ?
C047 C025 C02T 125.6(5) . . ?
N00S C026 H026 119.1 . . ?
N00S C026 C03W 121.7(5) . . ?
C03W C026 H026 119.2 . . ?
N00T C027 C01X 111.4(4) . . ?
N00T C027 C03Q 121.5(4) . . ?
C03Q C027 C01X 127.1(4) . . ?
N00R C028 C02O 120.6(4) . . ?
N00R C028 C02V 113.8(4) . . ?
C02O C028 C02V 125.6(4) . . ?
C01N C029 H029 120.1 . . ?
C01N C029 C038 119.8(4) . . ?
C038 C029 H029 120.1 . . ?
N014 C02A C02W 114.3(4) . . ?
N014 C02A C034 122.5(5) . . ?
C034 C02A C02W 123.2(5) . . ?
C01R C02B H02B 120.0 . . ?
C021 C02B C01R 119.9(4) . . ?
C021 C02B H02B 120.0 . . ?
N00O C02D H02D 119.2 . . ?
N00O C02D C03I 121.6(5) . . ?
C03I C02D H02D 119.2 . . ?
C01M C02E H02E 120.1 . . ?
C01M C02E C038 119.7(4) . . ?
C038 C02E H02E 120.2 . . ?
N00U C02F C01U 121.2(4) . . ?
N00U C02F C02H 113.8(4) . . ?
C01U C02F C02H 125.0(4) . . ?
C01T C02G H02G 120.2 . . ?
C01T C02G C036 119.5(4) . . ?
C036 C02G H02G 120.2 . . ?
N00X C02H C02F 114.5(4) . . ?
N00X C02H C04A 122.5(5) . . ?
C04A C02H C02F 122.9(5) . . ?
C01O C02I H02I 120.3 . . ?
C01O C02I C03B 119.4(5) . . ?
C03B C02I H02I 120.3 . . ?
C022 C02J C024 120.4(5) . . ?
C022 C02J H02J 119.8 . . ?
C024 C02J H02J 119.8 . . ?
N00N C02K H02K 118.9 . . ?
N00N C02K C03H 122.2(5) . . ?
C03H C02K H02K 118.9 . . ?
N011 C02L H02L 118.7 . . ?
N011 C02L C04L 122.6(5) . . ?
C04L C02L H02L 118.7 . . ?
N016 C02M H02M 119.7 . . ?
N016 C02M C048 120.6(5) . . ?
C048 C02M H02M 119.7 . . ?
C018 C02N H02N 120.3 . . ?
C03R C02N C018 119.3(5) . . ?
C03R C02N H02N 120.3 . . ?
C028 C02O H02O 120.5 . . ?
C028 C02O C03Y 119.1(4) . . ?
C03Y C02O H02O 120.5 . . ?
C01Y C02P C023 118.3(4) . . ?
C01Y C02P C03J 121.5(4) . . ?
C023 C02P C03J 120.2(4) . . ?
N011 C02Q C032 113.7(4) . . ?
N011 C02Q C04P 122.1(5) . . ?
C04P C02Q C032 124.2(5) . . ?
N00Q C02R H02R 118.7 . . ?
N00Q C02R C02Z 122.6(5) . . ?
C02Z C02R H02R 118.7 . . ?
N00W C02S C03N 112.7(4) . . ?
N00W C02S C04C 121.4(5) . . ?
C04C C02S C03N 125.9(5) . . ?
N00T C02T C025 112.3(4) . . ?
N00T C02T C042 120.7(4) . . ?
C042 C02T C025 127.0(4) . . ?
N00V C02U H02U 119.3 . . ?
N00V C02U C04B 121.5(5) . . ?
C04B C02U H02U 119.2 . . ?
N017 C02V C028 113.3(4) . . ?
N017 C02V C031 122.1(5) . . ?
C031 C02V C028 124.6(5) . . ?
N013 C02W C02A 112.9(5) . . ?
N013 C02W C051 119.9(5) . . ?
C051 C02W C02A 127.2(5) . . ?
C01K C02X H02X 121.0 . . ?
C01K C02X C04N 118.0(5) . . ?
C04N C02X H02X 121.0 . . ?
N00R C02Y C035 121.4(4) . . ?
N00R C02Y C03G 111.8(5) . . ?
C035 C02Y C03G 126.9(4) . . ?
C02R C02Z H02Z 120.4 . . ?
C02R C02Z C03B 119.1(5) . . ?
C03B C02Z H02Z 120.4 . . ?
N00V C030 C03K 113.6(4) . . ?
N00V C030 C04G 122.2(5) . . ?
C04G C030 C03K 124.1(5) . . ?
C02V C031 H031 120.8 . . ?
C02V C031 C04E 118.4(5) . . ?
C04E C031 H031 120.8 . . ?
N013 C032 C02Q 113.5(5) . . ?
N013 C032 C04V 121.2(5) . . ?
C04V C032 C02Q 125.1(5) . . ?
N00Z C033 H033 118.6 . . ?
N00Z C033 C03L 122.9(5) . . ?
C03L C033 H033 118.6 . . ?
C02A C034 H034 121.5 . . ?
C02A C034 C04U 116.9(5) . . ?
C04U C034 H034 121.5 . . ?
C02Y C035 H035 119.9 . . ?
C02Y C035 C03Y 120.2(5) . . ?
C03Y C035 H035 119.9 . . ?
C01V C036 H036 120.4 . . ?
C02G C036 C01V 119.3(4) . . ?
C02G C036 H036 120.4 . . ?
C01H C037 H037 121.1 . . ?
C01H C037 C04T 117.8(5) . . ?
C04T C037 H037 121.1 . . ?
C029 C038 C02E 117.5(5) . . ?
C029 C038 C03U 122.0(4) . . ?
C02E C038 C03U 120.5(4) . . ?
N00W C039 H039 118.2 . . ?
N00W C039 C03P 123.6(5) . . ?
C03P C039 H039 118.2 . . ?
C02I C03B H03B 120.6 . . ?
C02Z C03B C02I 118.8(5) . . ?
C02Z C03B H03B 120.6 . . ?
C01F C03C H03C 120.4 . . ?
C03E C03C C01F 119.2(5) . . ?
C03E C03C H03C 120.4 . . ?
C03F C03D H03D 120.5 . . ?
C03F C03D C04N 119.0(5) . . ?
C04N C03D H03D 120.5 . . ?
C03C C03E H03E 120.6 . . ?
C03C C03E C03O 118.9(5) . . ?
C03O C03E H03E 120.5 . . ?
N010 C03F C03D 122.4(5) . . ?
N010 C03F H03F 118.8 . . ?
C03D C03F H03F 118.8 . . ?
N00Z C03G C02Y 115.3(4) . . ?
N00Z C03G C044 122.3(5) . . ?
C044 C03G C02Y 122.4(5) . . ?
C02K C03H H03H 120.6 . . ?
C03R C03H C02K 118.9(5) . . ?
C03R C03H H03H 120.6 . . ?
C02D C03I H03I 120.5 . . ?
C043 C03I C02D 118.9(5) . . ?
C043 C03I H03I 120.5 . . ?
C01W C03J C02P 120.5(4) . . ?
C05F C03J C01W 117.8(5) . . ?
C05F C03J C02P 121.5(5) . . ?
N00Y C03K C030 111.4(5) . . ?
N00Y C03K C058 120.3(5) . . ?
C058 C03K C030 128.3(5) . . ?
C033 C03L H03L 121.4 . . ?
C053 C03L C033 117.2(5) . . ?
C053 C03L H03L 121.4 . . ?
C03T C03M H03M 119.8 . . ?
C054 C03M H03M 119.8 . . ?
C054 C03M C03T 120.4(5) . . ?
N00Y C03N C02S 112.7(4) . . ?
N00Y C03N C050 120.9(5) . . ?
C050 C03N C02S 126.4(5) . . ?
N012 C03O C03E 122.4(5) . . ?
N012 C03O H03O 118.8 . . ?
C03E C03O H03O 118.8 . . ?
C039 C03P H03P 121.2 . . ?
C039 C03P C049 117.7(5) . . ?
C049 C03P H03P 121.2 . . ?
C027 C03Q H03Q 120.3 . . ?
C027 C03Q C04O 119.5(5) . . ?
C04O C03Q H03Q 120.3 . . ?
C02N C03R H03R 120.2 . . ?
C03H C03R C02N 119.5(5) . . ?
C03H C03R H03R 120.3 . . ?
C03U C03S H03S 120.3 . . ?
C052 C03S H03S 120.3 . . ?
C052 C03S C03U 119.4(5) . . ?
C03M C03T C01R 120.3(4) . . ?
C03M C03T C048 117.4(5) . . ?
C048 C03T C01R 122.2(4) . . ?
C03S C03U C038 120.5(5) . . ?
C059 C03U C038 121.4(5) . . ?
C059 C03U C03S 118.1(5) . . ?
C055 C03V C024 121.3(5) . . ?
C05K C03V C024 121.3(5) . . ?
C05K C03V C055 117.5(5) . . ?
C026 C03W H03W 120.2 . . ?
C046 C03W C026 119.6(4) . . ?
C046 C03W H03W 120.2 . . ?
C01X C03X H03X 120.9 . . ?
C01X C03X C046 118.2(5) . . ?
C046 C03X H03X 120.9 . . ?
C02O C03Y C04X 120.9(4) . . ?
C035 C03Y C02O 118.3(5) . . ?
C035 C03Y C04X 120.8(5) . . ?
N00X C040 H040 119.1 . . ?
N00X C040 C04S 121.8(5) . . ?
C04S C040 H040 119.1 . . ?
N014 C041 H041 118.8 . . ?
N014 C041 C05L 122.4(6) . . ?
C05L C041 H041 118.8 . . ?
C02T C042 H042 120.1 . . ?
C02T C042 C04O 119.9(4) . . ?
C04O C042 H042 120.1 . . ?
C03I C043 H043 119.9 . . ?
C03I C043 C047 120.2(5) . . ?
C047 C043 H043 119.9 . . ?
C03G C044 H044 121.1 . . ?
C03G C044 C053 117.7(5) . . ?
C053 C044 H044 121.1 . . ?
C05U N045 C067 120.2(5) . . ?
C068 N045 C05U 119.8(5) . . ?
C068 N045 C067 119.9(5) . . ?
C03W C046 C03X 119.4(5) . . ?
C03W C046 H046 120.3 . . ?
C03X C046 H046 120.3 . . ?
C025 C047 H047 120.5 . . ?
C043 C047 C025 118.9(5) . . ?
C043 C047 H047 120.5 . . ?
C02M C048 C03T 120.0(5) . . ?
C02M C048 H048 120.0 . . ?
C03T C048 H048 120.0 . . ?
C03P C049 H049 119.5 . . ?
C04C C049 C03P 121.0(5) . . ?
C04C C049 H049 119.5 . . ?
C02H C04A H04D 121.2 . . ?
C05C C04A C02H 117.5(5) . . ?
C05C C04A H04D 121.2 . . ?
C02U C04B H04E 120.0 . . ?
C02U C04B C05B 120.1(5) . . ?
C05B C04B H04E 119.9 . . ?
C02S C04C H04F 121.0 . . ?
C049 C04C C02S 118.1(5) . . ?
C049 C04C H04F 121.0 . . ?
C066 N04D C064 119.9(6) . . ?
C06O N04D C064 119.7(7) . . ?
C06O N04D C066 120.4(6) . . ?
C031 C04E H04H 120.1 . . ?
C04Q C04E C031 119.8(5) . . ?
C04Q C04E H04H 120.1 . . ?
C030 C04G H04G 120.8 . . ?
C05B C04G C030 118.5(6) . . ?
C05B C04G H04G 120.8 . . ?
N019 C04I H04A 109.5 . . ?
N019 C04I H04B 109.5 . . ?
N019 C04I H04C 109.5 . . ?
H04A C04I H04B 109.5 . . ?
H04A C04I H04C 109.5 . . ?
H04B C04I H04C 109.5 . . ?
C01Q C04J H04J 120.1 . . ?
C04T C04J C01Q 119.8(5) . . ?
C04T C04J H04J 120.1 . . ?
C04W C04K H04K 119.4 . . ?
C04W C04K C04X 121.2(5) . . ?
C04X C04K H04K 119.4 . . ?
C02L C04L H04L 120.8 . . ?
C05M C04L C02L 118.3(5) . . ?
C05M C04L H04L 120.8 . . ?
N01L C04M H04I 109.5 . . ?
N01L C04M H04M 109.5 . . ?
N01L C04M H04O 109.4 . . ?
H04I C04M H04M 109.5 . . ?
H04I C04M H04O 109.5 . . ?
H04M C04M H04O 109.5 . . ?
C02X C04N H04N 120.3 . . ?
C03D C04N C02X 119.5(5) . . ?
C03D C04N H04N 120.3 . . ?
C03Q C04O C042 118.8(5) . . ?
C03Q C04O C05A 120.0(5) . . ?
C042 C04O C05A 121.2(4) . . ?
C02Q C04P H04P 120.6 . . ?
C02Q C04P C05M 118.9(6) . . ?
C05M C04P H04P 120.6 . . ?
C04E C04Q H04Q 120.5 . . ?
C04E C04Q C04R 119.1(5) . . ?
C04R C04Q H04Q 120.5 . . ?
N017 C04R C04Q 121.7(5) . . ?
N017 C04R H04R 119.1 . . ?
C04Q C04R H04R 119.1 . . ?
C040 C04S H04S 120.4 . . ?
C05C C04S C040 119.2(5) . . ?
C05C C04S H04S 120.4 . . ?
C037 C04T H04T 120.1 . . ?
C04J C04T C037 119.8(5) . . ?
C04J C04T H04T 120.1 . . ?
C034 C04U H04U 120.1 . . ?
C05L C04U C034 119.9(5) . . ?
C05L C04U H04U 120.0 . . ?
C032 C04V H04V 120.2 . . ?
C032 C04V C05V 119.6(5) . . ?
C05V C04V H04V 120.2 . . ?
N01L C04W C04K 120.6(5) . . ?
N01L C04W H04W 119.7 . . ?
C04K C04W H04W 119.7 . . ?
C04K C04X C03Y 123.5(5) . . ?
C05X C04X C03Y 120.8(5) . . ?
C05X C04X C04K 115.6(5) . . ?
C03N C050 H050 120.8 . . ?
C03N C050 C056 118.4(5) . . ?
C056 C050 H050 120.8 . . ?
C02W C051 H051 120.1 . . ?
C05V C051 C02W 119.8(5) . . ?
C05V C051 H051 120.1 . . ?
N01P C052 C03S 121.4(5) . . ?
N01P C052 H052 119.3 . . ?
C03S C052 H052 119.3 . . ?
C03L C053 C044 121.1(5) . . ?
C03L C053 H053 119.4 . . ?
C044 C053 H053 119.4 . . ?
N016 C054 C03M 120.2(5) . . ?
N016 C054 H054 119.9 . . ?
C03M C054 H054 119.9 . . ?
C03V C055 H055 120.5 . . ?
C05N C055 C03V 119.0(6) . . ?
C05N C055 H055 120.5 . . ?
C050 C056 C05H 119.2(5) . . ?
C058 C056 C050 119.7(5) . . ?
C058 C056 C05H 121.0(6) . . ?
C01Z C057 H057 120.6 . . ?
C05Q C057 C01Z 118.7(5) . . ?
C05Q C057 H057 120.6 . . ?
C03K C058 C056 119.3(5) . . ?
C03K C058 H058 120.3 . . ?
C056 C058 H058 120.4 . . ?
C03U C059 H059 119.8 . . ?
C05P C059 C03U 120.4(5) . . ?
C05P C059 H059 119.8 . . ?
C05O C05A C04O 121.9(5) . . ?
C060 C05A C04O 122.0(5) . . ?
C060 C05A C05O 116.1(5) . . ?
C04B C05B C04G 119.1(5) . . ?
C04B C05B H05J 120.5 . . ?
C04G C05B H05J 120.5 . . ?
C04A C05C H05K 119.9 . . ?
C04S C05C C04A 120.2(5) . . ?
C04S C05C H05K 119.9 . . ?
C01E C05D H05D 121.0 . . ?
C05Q C05D C01E 117.9(6) . . ?
C05Q C05D H05D 121.0 . . ?
N01P C05E H05A 109.5 . . ?
N01P C05E H05B 109.5 . . ?
N01P C05E H05C 109.5 . . ?
H05A C05E H05B 109.5 . . ?
H05A C05E H05C 109.5 . . ?
H05B C05E H05C 109.5 . . ?
C03J C05F H05F 119.8 . . ?
C05I C05F C03J 120.3(5) . . ?
C05I C05F H05F 119.8 . . ?
N016 C05G H05E 109.5 . . ?
N016 C05G H05G 109.5 . . ?
N016 C05G H05H 109.4 . . ?
H05E C05G H05G 109.5 . . ?
H05E C05G H05H 109.5 . . ?
H05G C05G H05H 109.5 . . ?
C061 C05H C056 121.1(6) . . ?
C06K C05H C056 120.8(6) . . ?
C06K C05H C061 118.1(6) . . ?
N019 C05I C05F 121.1(6) . . ?
N019 C05I H05I 119.4 . . ?
C05F C05I H05I 119.4 . . ?
N01I C05J H05L 120.3 . . ?
N01I C05J C05K 119.4(6) . . ?
C05K C05J H05L 120.3 . . ?
C03V C05K H05M 119.3 . . ?
C05J C05K C03V 121.4(5) . . ?
C05J C05K H05M 119.3 . . ?
C041 C05L H05V 120.6 . . ?
C04U C05L C041 118.9(6) . . ?
C04U C05L H05V 120.6 . . ?
C04L C05M C04P 119.8(5) . . ?
C04L C05M H05W 120.1 . . ?
C04P C05M H05W 120.1 . . ?
N01I C05N C055 121.1(5) . . ?
N01I C05N H05N 119.5 . . ?
C055 C05N H05N 119.4 . . ?
C05A C05O H05O 120.2 . . ?
C05U C05O C05A 119.7(5) . . ?
C05U C05O H05O 120.1 . . ?
N01P C05P H05P 119.8 . . ?
C059 C05P N01P 120.4(5) . . ?
C059 C05P H05P 119.8 . . ?
C057 C05Q C05D 120.3(6) . . ?
C057 C05Q H05Q 119.9 . . ?
C05D C05Q H05Q 119.9 . . ?
N01I C05R H05R 109.5 . . ?
N01I C05R H05S 109.5 . . ?
N01I C05R H05T 109.5 . . ?
H05R C05R H05S 109.5 . . ?
H05R C05R H05T 109.5 . . ?
H05S C05R H05T 109.5 . . ?
N045 C05U C05O 122.0(5) . . ?
N045 C05U H05U 119.0 . . ?
C05O C05U H05U 119.0 . . ?
C04V C05V C05Z 120.2(6) . . ?
C051 C05V C04V 118.6(6) . . ?
C051 C05V C05Z 121.2(6) . . ?
C04X C05X H05X 119.4 . . ?
C05Y C05X C04X 121.3(6) . . ?
C05Y C05X H05X 119.3 . . ?
N01L C05Y C05X 120.5(6) . . ?
N01L C05Y H05Y 119.7 . . ?
C05X C05Y H05Y 119.7 . . ?
C06C C05Z C05V 120.7(6) . . ?
C06F C05Z C05V 120.5(6) . . ?
C06F C05Z C06C 118.7(7) . . ?
C05A C060 H060 119.3 . . ?
C068 C060 C05A 121.4(6) . . ?
C068 C060 H060 119.3 . . ?
C05H C061 H061 120.4 . . ?
C066 C061 C05H 119.3(6) . . ?
C066 C061 H061 120.3 . . ?
N04D C064 H06D 109.5 . . ?
N04D C064 H06E 109.4 . . ?
N04D C064 H06F 109.5 . . ?
H06D C064 H06E 109.5 . . ?
H06D C064 H06F 109.5 . . ?
H06E C064 H06F 109.5 . . ?
N04D C066 C061 120.9(7) . . ?
N04D C066 H066 119.6 . . ?
C061 C066 H066 119.6 . . ?
N045 C067 H06A 109.5 . . ?
N045 C067 H06B 109.5 . . ?
N045 C067 H06C 109.4 . . ?
H06A C067 H06B 109.5 . . ?
H06A C067 H06C 109.5 . . ?
H06B C067 H06C 109.5 . . ?
N045 C068 C060 120.7(6) . . ?
N045 C068 H068 119.7 . . ?
C060 C068 H068 119.6 . . ?
C06J N069 C06N 121.2(8) . . ?
C06J N069 C8 118.9(7) . . ?
C06N N069 C8 118.9(8) . . ?
C05Z C06C H06G 120.0 . . ?
C05Z C06C C06N 120.1(7) . . ?
C06N C06C H06G 119.9 . . ?
C05Z C06F H06H 119.5 . . ?
C05Z C06F C06J 121.0(7) . . ?
C06J C06F H06H 119.5 . . ?
N069 C06J C06F 119.3(8) . . ?
N069 C06J H06J 120.4 . . ?
C06F C06J H06J 120.3 . . ?
C05H C06K H06K 120.0 . . ?
C05H C06K C06O 119.9(8) . . ?
C06O C06K H06K 120.0 . . ?
N069 C06N C06C 119.0(8) . . ?
N069 C06N H06N 120.5 . . ?
C06C C06N H06N 120.5 . . ?
N04D C06O C06K 121.2(8) . . ?
N04D C06O H06O 119.4 . . ?
C06K C06O H06O 119.4 . . ?
N069 C8 H8A 109.5 . . ?
N069 C8 H8B 109.5 . . ?
N069 C8 H8C 109.4 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 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
Co01 N00H C01M C01D 0.1(5) . . . . ?
Co01 N00H C01M C02E -178.9(4) . . . . ?
Co01 N00H C01N C01H -0.1(5) . . . . ?
Co01 N00H C01N C029 179.8(4) . . . . ?
Co01 N00J C01E C01J 4.8(5) . . . . ?
Co01 N00J C01E C05D -175.6(5) . . . . ?
Co01 N00J C01Z C057 174.9(4) . . . . ?
Co01 N00K C01D C01M -3.0(5) . . . . ?
Co01 N00K C01D C01V 176.4(4) . . . . ?
Co01 N00K C01T C02G -175.3(3) . . . . ?
Co01 N00M C01A C018 -3.6(5) . . . . ?
Co01 N00M C01A C01Y 174.7(3) . . . . ?
Co01 N00M C01J C01E 5.0(5) . . . . ?
Co01 N00M C01J C023 -173.8(3) . . . . ?
Co01 N00N C018 C01A 2.4(4) . . . . ?
Co01 N00N C018 C02N -176.6(3) . . . . ?
Co01 N00N C02K C03H 175.4(3) . . . . ?
Co01 N00P C01H C01N -8.1(5) . . . . ?
Co01 N00P C01H C037 172.1(4) . . . . ?
Co01 N00P C01Q C04J -171.3(3) . . . . ?
Co02 N00L C01C C01G -178.3(3) . . . . ?
Co02 N00L C01C C01O 0.1(5) . . . . ?
Co02 N00L C021 C01K -1.0(5) . . . . ?
Co02 N00L C021 C02B 178.5(3) . . . . ?
Co02 N00O C025 C02T -1.4(5) . . . . ?
Co02 N00O C025 C047 179.4(4) . . . . ?
Co02 N00O C02D C03I -178.3(4) . . . . ?
Co02 N00Q C01O C01C 7.8(4) . . . . ?
Co02 N00Q C01O C02I -171.8(3) . . . . ?
Co02 N00Q C02R C02Z 171.6(3) . . . . ?
Co02 N00S C01X C027 -4.1(5) . . . . ?
Co02 N00S C01X C03X 177.1(4) . . . . ?
Co02 N00S C026 C03W -175.7(3) . . . . ?
Co02 N00T C027 C01X -2.2(6) . . . . ?
Co02 N00T C027 C03Q 178.2(4) . . . . ?
Co02 N00T C02T C025 1.3(6) . . . . ?
Co02 N00T C02T C042 -178.9(4) . . . . ?
Co02 N010 C01K C021 -1.4(5) . . . . ?
Co02 N010 C01K C02X 178.8(4) . . . . ?
Co02 N010 C03F C03D 179.8(4) . . . . ?
Co03 N00U C022 C01B 5.1(5) . . . . ?
Co03 N00U C022 C02J -171.4(3) . . . . ?
Co03 N00U C02F C01U 170.6(3) . . . . ?
Co03 N00U C02F C02H -7.3(5) . . . . ?
Co03 N00V C02U C04B 176.2(4) . . . . ?
Co03 N00V C030 C03K 3.6(5) . . . . ?
Co03 N00V C030 C04G -175.4(4) . . . . ?
Co03 N00W C02S C03N 2.7(5) . . . . ?
Co03 N00W C02S C04C -178.8(4) . . . . ?
Co03 N00W C039 C03P 178.1(4) . . . . ?
Co03 N00X C02H C02F -4.9(5) . . . . ?
Co03 N00X C02H C04A 174.6(4) . . . . ?
Co03 N00X C040 C04S -174.6(4) . . . . ?
Co03 N00Y C03K C030 6.0(6) . . . . ?
Co03 N00Y C03K C058 -171.5(4) . . . . ?
Co03 N00Y C03N C02S -7.7(5) . . . . ?
Co03 N00Y C03N C050 171.1(4) . . . . ?
Co03 N012 C01B C01F 179.3(3) . . . . ?
Co03 N012 C01B C022 0.1(5) . . . . ?
Co03 N012 C03O C03E -177.2(3) . . . . ?
Co04 N00R C028 C02O -179.2(3) . . . . ?
Co04 N00R C028 C02V 0.5(5) . . . . ?
Co04 N00R C02Y C035 178.8(4) . . . . ?
Co04 N00R C02Y C03G -0.8(5) . . . . ?
Co04 N00Z C033 C03L 174.7(3) . . . . ?
Co04 N00Z C03G C02Y 5.6(5) . . . . ?
Co04 N00Z C03G C044 -174.5(4) . . . . ?
Co04 N011 C02L C04L -172.7(4) . . . . ?
Co04 N011 C02Q C032 -7.0(5) . . . . ?
Co04 N011 C02Q C04P 173.0(4) . . . . ?
Co04 N013 C02W C02A 8.9(6) . . . . ?
Co04 N013 C02W C051 -168.6(4) . . . . ?
Co04 N013 C032 C02Q -5.0(6) . . . . ?
Co04 N013 C032 C04V 170.5(4) . . . . ?
Co04 N014 C02A C02W -3.1(5) . . . . ?
Co04 N014 C02A C034 177.0(4) . . . . ?
Co04 N014 C041 C05L -175.5(4) . . . . ?
Co04 N017 C02V C028 3.0(5) . . . . ?
Co04 N017 C02V C031 -177.4(4) . . . . ?
Co04 N017 C04R C04Q 177.0(4) . . . . ?
N00H C01M C02E C038 -0.7(8) . . . . ?
N00H C01N C029 C038 -1.0(7) . . . . ?
N00J Co01 N00H C01M 85.8(4) . . . . ?
N00J Co01 N00H C01N -95.1(4) . . . . ?
N00J Co01 N00M C01A -175.9(3) . . . . ?
N00J Co01 N00M C01J -1.9(3) . . . . ?
N00J C01E C01J N00M -6.3(6) . . . . ?
N00J C01E C01J C023 172.4(4) . . . . ?
N00J C01E C05D C05Q 0.6(9) . . . . ?
N00J C01Z C057 C05Q -0.1(8) . . . . ?
N00K Co01 N00H C01M -1.3(3) . . . . ?
N00K Co01 N00H C01N 177.8(4) . . . . ?
N00K Co01 N00M C01A -88.1(3) . . . . ?
N00K Co01 N00M C01J 85.9(3) . . . . ?
N00K C01D C01M N00H 2.0(6) . . . . ?
N00K C01D C01M C02E -179.0(5) . . . . ?
N00K C01D C01V C036 -0.2(8) . . . . ?
N00K C01T C02G C036 -0.5(7) . . . . ?
N00L C01C C01G C01R 0.2(7) . . . . ?
N00L C01C C01O N00Q -5.6(5) . . . . ?
N00L C01C C01O C02I 174.0(4) . . . . ?
N00L C021 C02B C01R -0.6(7) . . . . ?
N00M C01A C01Y C02P -1.4(6) . . . . ?
N00M C01J C023 C02P -0.4(7) . . . . ?
N00N Co01 N00H C01M -93.1(4) . . . . ?
N00N Co01 N00H C01N 86.1(4) . . . . ?
N00N Co01 N00M C01A 3.9(3) . . . . ?
N00N Co01 N00M C01J 177.9(3) . . . . ?
N00N C018 C01A N00M 0.5(5) . . . . ?
N00N C018 C01A C01Y -177.7(4) . . . . ?
N00N C018 C02N C03R 0.9(7) . . . . ?
N00N C02K C03H C03R 0.5(7) . . . . ?
N00O Co02 N00T C027 178.8(4) . . . . ?
N00O Co02 N00T C02T -1.7(4) . . . . ?
N00O C025 C02T N00T 0.2(6) . . . . ?
N00O C025 C02T C042 -179.5(5) . . . . ?
N00O C025 C047 C043 -1.5(8) . . . . ?
N00O C02D C03I C043 -0.4(8) . . . . ?
N00P Co01 N00H C01M 177.5(4) . . . . ?
N00P Co01 N00H C01N -3.3(3) . . . . ?
N00P Co01 N00M C01A 92.5(3) . . . . ?
N00P Co01 N00M C01J -93.5(3) . . . . ?
N00P C01H C01N N00H 5.6(6) . . . . ?
N00P C01H C01N C029 -174.2(5) . . . . ?
N00P C01H C037 C04T 0.1(7) . . . . ?
N00P C01Q C04J C04T 0.4(8) . . . . ?
N00Q Co02 N00T C027 -90.8(4) . . . . ?
N00Q Co02 N00T C02T 88.7(4) . . . . ?
N00Q C01O C02I C03B -1.2(7) . . . . ?
N00Q C02R C02Z C03B -0.8(7) . . . . ?
N00R C028 C02O C03Y 0.9(7) . . . . ?
N00R C028 C02V N017 -2.3(6) . . . . ?
N00R C028 C02V C031 178.0(4) . . . . ?
N00R C02Y C035 C03Y -0.1(7) . . . . ?
N00R C02Y C03G N00Z -3.4(6) . . . . ?
N00R C02Y C03G C044 176.7(5) . . . . ?
N00S Co02 N00T C027 0.0(4) . . . . ?
N00S Co02 N00T C02T 179.5(4) . . . . ?
N00S C01X C027 N00T 4.1(6) . . . . ?
N00S C01X C027 C03Q -176.3(5) . . . . ?
N00S C01X C03X C046 -1.8(8) . . . . ?
N00S C026 C03W C046 -0.3(7) . . . . ?
N00T C027 C03Q C04O 0.1(8) . . . . ?
N00T C02T C042 C04O 1.4(8) . . . . ?
N00U C022 C02J C024 0.7(7) . . . . ?
N00U C02F C02H N00X 7.8(6) . . . . ?
N00U C02F C02H C04A -171.6(5) . . . . ?
N00V Co03 N00Y C03K -3.3(4) . . . . ?
N00V Co03 N00Y C03N -175.3(4) . . . . ?
N00V C02U C04B C05B -0.3(8) . . . . ?
N00V C030 C03K N00Y -6.0(6) . . . . ?
N00V C030 C03K C058 171.2(5) . . . . ?
N00V C030 C04G C05B -2.0(8) . . . . ?
N00W Co03 N00Y C03K 179.3(4) . . . . ?
N00W Co03 N00Y C03N 7.3(4) . . . . ?
N00W C02S C03N N00Y 2.9(6) . . . . ?
N00W C02S C03N C050 -175.9(5) . . . . ?
N00W C02S C04C C049 0.3(8) . . . . ?
N00W C039 C03P C049 0.7(8) . . . . ?
N00X Co03 N00Y C03K 87.6(4) . . . . ?
N00X Co03 N00Y C03N -84.4(4) . . . . ?
N00X C02H C04A C05C 0.7(8) . . . . ?
N00X C040 C04S C05C 0.7(8) . . . . ?
N00Y C03K C058 C056 -0.4(8) . . . . ?
N00Y C03N C050 C056 1.1(8) . . . . ?
N00Z Co04 N00R C028 -178.0(4) . . . . ?
N00Z Co04 N00R C02Y 3.0(3) . . . . ?
N00Z Co04 N013 C02W 81.3(4) . . . . ?
N00Z Co04 N013 C032 -90.1(4) . . . . ?
N00Z C033 C03L C053 -0.2(7) . . . . ?
N00Z C03G C044 C053 -1.4(8) . . . . ?
N010 Co02 N00T C027 90.1(4) . . . . ?
N010 Co02 N00T C02T -90.5(4) . . . . ?
N010 C01K C021 N00L 1.6(6) . . . . ?
N010 C01K C021 C02B -177.9(4) . . . . ?
N010 C01K C02X C04N 1.8(8) . . . . ?
N011 Co04 N00R C028 91.5(3) . . . . ?
N011 Co04 N00R C02Y -87.5(4) . . . . ?
N011 Co04 N013 C02W 172.4(4) . . . . ?
N011 Co04 N013 C032 1.0(4) . . . . ?
N011 C02L C04L C05M -0.5(8) . . . . ?
N011 C02Q C032 N013 7.9(6) . . . . ?
N011 C02Q C032 C04V -167.4(5) . . . . ?
N011 C02Q C04P C05M 1.5(8) . . . . ?
N012 Co03 N00Y C03K -92.5(4) . . . . ?
N012 Co03 N00Y C03N 95.6(4) . . . . ?
N012 C01B C01F C03C -2.2(7) . . . . ?
N012 C01B C022 N00U -3.1(6) . . . . ?
N012 C01B C022 C02J 173.3(4) . . . . ?
N013 C02W C051 C05V -1.8(8) . . . . ?
N013 C032 C04V C05V -2.2(9) . . . . ?
N014 Co04 N00R C028 -89.2(3) . . . . ?
N014 Co04 N00R C02Y 91.9(4) . . . . ?
N014 Co04 N013 C02W -8.3(4) . . . . ?
N014 Co04 N013 C032 -179.7(4) . . . . ?
N014 C02A C02W N013 -3.2(6) . . . . ?
N014 C02A C02W C051 174.0(5) . . . . ?
N014 C02A C034 C04U -0.8(8) . . . . ?
N014 C041 C05L C04U -1.1(8) . . . . ?
N016 C02M C048 C03T -0.7(8) . . . . ?
N017 Co04 N00R C028 0.9(3) . . . . ?
N017 Co04 N00R C02Y -178.1(4) . . . . ?
N017 Co04 N013 C02W -97.8(4) . . . . ?
N017 Co04 N013 C032 90.9(4) . . . . ?
N017 C02V C031 C04E -0.3(7) . . . . ?
C018 N00N C02K C03H -1.7(6) . . . . ?
C018 C01A C01Y C02P 176.7(4) . . . . ?
C018 C02N C03R C03H -2.1(7) . . . . ?
C01A N00M C01J C01E 178.9(4) . . . . ?
C01A N00M C01J C023 0.1(6) . . . . ?
C01A C018 C02N C03R -177.9(4) . . . . ?
C01A C01Y C02P C023 1.0(6) . . . . ?
C01A C01Y C02P C03J -179.4(4) . . . . ?
C01B N012 C03O C03E 0.5(7) . . . . ?
C01B C01F C03C C03E 1.4(7) . . . . ?
C01B C022 C02J C024 -175.5(4) . . . . ?
C01C N00L C021 C01K 177.6(4) . . . . ?
C01C N00L C021 C02B -2.9(7) . . . . ?
C01C C01G C01R C02B -3.6(7) . . . . ?
C01C C01G C01R C03T 175.8(4) . . . . ?
C01C C01O C02I C03B 179.2(4) . . . . ?
C01D N00K C01T C02G 0.2(7) . . . . ?
C01D C01M C02E C038 -179.5(5) . . . . ?
C01D C01V C036 C02G 0.0(8) . . . . ?
C01E N00J C01Z C057 -2.1(7) . . . . ?
C01E C01J C023 C02P -179.0(4) . . . . ?
C01E C05D C05Q C057 -2.9(11) . . . . ?
C01F C01B C022 N00U 177.7(4) . . . . ?
C01F C01B C022 C02J -5.9(7) . . . . ?
C01F C03C C03E C03O 0.2(7) . . . . ?
C01G C01C C01O N00Q 172.7(4) . . . . ?
C01G C01C C01O C02I -7.7(7) . . . . ?
C01G C01R C02B C021 3.8(7) . . . . ?
C01G C01R C03T C03M -27.6(7) . . . . ?
C01G C01R C03T C048 155.1(5) . . . . ?
C01H N00P C01Q C04J 0.8(7) . . . . ?
C01H C01N C029 C038 178.8(5) . . . . ?
C01H C037 C04T C04J 1.1(8) . . . . ?
N01I C05J C05K C03V -2.1(9) . . . . ?
C01J N00M C01A C018 -177.5(4) . . . . ?
C01J N00M C01A C01Y 0.8(6) . . . . ?
C01J C01E C05D C05Q -179.8(6) . . . . ?
C01J C023 C02P C01Y -0.2(7) . . . . ?
C01J C023 C02P C03J -179.8(4) . . . . ?
C01K N010 C03F C03D 0.9(7) . . . . ?
C01K C021 C02B C01R 178.8(4) . . . . ?
C01K C02X C04N C03D -0.4(8) . . . . ?
C01M N00H C01N C01H 179.1(4) . . . . ?
C01M N00H C01N C029 -1.0(7) . . . . ?
C01M C01D C01V C036 179.1(5) . . . . ?
C01M C02E C038 C029 -1.4(8) . . . . ?
C01M C02E C038 C03U 177.2(5) . . . . ?
C01N N00H C01M C01D -179.1(4) . . . . ?
C01N N00H C01M C02E 1.9(7) . . . . ?
C01N C01H C037 C04T -179.8(5) . . . . ?
C01N C029 C038 C02E 2.2(7) . . . . ?
C01N C029 C038 C03U -176.3(5) . . . . ?
C01O N00Q C02R C02Z -1.4(6) . . . . ?
C01O C01C C01G C01R -178.0(4) . . . . ?
C01O C02I C03B C02Z -1.0(7) . . . . ?
C01Q N00P C01H C01N 178.8(4) . . . . ?
C01Q N00P C01H C037 -1.0(7) . . . . ?
C01Q C04J C04T C037 -1.4(8) . . . . ?
C01R C03T C048 C02M 178.8(5) . . . . ?
C01T N00K C01D C01M -179.3(4) . . . . ?
C01T N00K C01D C01V 0.1(7) . . . . ?
C01T C02G C036 C01V 0.4(7) . . . . ?
C01U C024 C02J C022 -2.0(7) . . . . ?
C01U C024 C03V C055 10.7(7) . . . . ?
C01U C024 C03V C05K -170.4(5) . . . . ?
C01U C02F C02H N00X -170.0(4) . . . . ?
C01U C02F C02H C04A 10.6(8) . . . . ?
C01V C01D C01M N00H -177.3(5) . . . . ?
C01V C01D C01M C02E 1.6(8) . . . . ?
C01W C03J C05F C05I -1.6(9) . . . . ?
C01X N00S C026 C03W 1.9(7) . . . . ?
C01X C027 C03Q C04O -179.5(5) . . . . ?
C01X C03X C046 C03W 3.4(8) . . . . ?
C01Y C02P C03J C01W -21.2(7) . . . . ?
C01Y C02P C03J C05F 163.1(5) . . . . ?
C01Z N00J C01E C01J -177.8(4) . . . . ?
C01Z N00J C01E C05D 1.8(7) . . . . ?
C01Z C057 C05Q C05D 2.6(11) . . . . ?
C020 N019 C05I C05F 1.7(10) . . . . ?
C020 C01W C03J C02P -175.3(5) . . . . ?
C020 C01W C03J C05F 0.6(8) . . . . ?
C021 N00L C01C C01G 3.1(6) . . . . ?
C021 N00L C01C C01O -178.5(4) . . . . ?
C021 C01K C02X C04N -177.9(5) . . . . ?
C022 N00U C02F C01U -2.4(7) . . . . ?
C022 N00U C02F C02H 179.7(4) . . . . ?
C022 C01B C01F C03C 177.0(4) . . . . ?
C023 C02P C03J C01W 158.4(5) . . . . ?
C023 C02P C03J C05F -17.3(8) . . . . ?
C024 C01U C02F N00U 1.0(7) . . . . ?
C024 C01U C02F C02H 178.6(4) . . . . ?
C024 C03V C055 C05N 178.5(5) . . . . ?
C024 C03V C05K C05J -177.3(5) . . . . ?
C025 N00O C02D C03I 0.4(7) . . . . ?
C025 C02T C042 C04O -178.9(5) . . . . ?
C026 N00S C01X C027 177.9(4) . . . . ?
C026 N00S C01X C03X -0.8(7) . . . . ?
C026 C03W C046 C03X -2.4(8) . . . . ?
C027 N00T C02T C025 -179.2(4) . . . . ?
C027 N00T C02T C042 0.5(7) . . . . ?
C027 C01X C03X C046 179.5(5) . . . . ?
C027 C03Q C04O C042 1.9(9) . . . . ?
C027 C03Q C04O C05A -178.4(5) . . . . ?
C028 N00R C02Y C035 -0.2(7) . . . . ?
C028 N00R C02Y C03G -179.8(4) . . . . ?
C028 C02O C03Y C035 -1.2(7) . . . . ?
C028 C02O C03Y C04X 177.1(5) . . . . ?
C028 C02V C031 C04E 179.3(5) . . . . ?
C029 C038 C03U C03S -157.0(5) . . . . ?
C029 C038 C03U C059 24.7(8) . . . . ?
C02A N014 C041 C05L 1.0(7) . . . . ?
C02A C02W C051 C05V -178.8(6) . . . . ?
C02A C034 C04U C05L 0.6(8) . . . . ?
C02B C01R C03T C03M 151.8(5) . . . . ?
C02B C01R C03T C048 -25.4(7) . . . . ?
C02D N00O C025 C02T 179.7(4) . . . . ?
C02D N00O C025 C047 0.6(7) . . . . ?
C02D C03I C043 C047 -0.6(8) . . . . ?
C02E C038 C03U C03S 24.5(8) . . . . ?
C02E C038 C03U C059 -153.8(5) . . . . ?
C02F N00U C022 C01B 178.1(4) . . . . ?
C02F N00U C022 C02J 1.5(6) . . . . ?
C02F C01U C024 C02J 1.2(7) . . . . ?
C02F C01U C024 C03V -178.2(4) . . . . ?
C02F C02H C04A C05C -179.9(5) . . . . ?
C02H N00X C040 C04S 1.0(7) . . . . ?
C02H C04A C05C C04S 1.1(9) . . . . ?
C02J C024 C03V C055 -168.7(5) . . . . ?
C02J C024 C03V C05K 10.2(7) . . . . ?
C02K N00N C018 C01A 179.9(4) . . . . ?
C02K N00N C018 C02N 1.0(6) . . . . ?
C02K C03H C03R C02N 1.5(7) . . . . ?
C02L N011 C02Q C032 177.7(4) . . . . ?
C02L N011 C02Q C04P -2.2(7) . . . . ?
C02L C04L C05M C04P -0.2(8) . . . . ?
C02M N016 C054 C03M -0.4(8) . . . . ?
C02N C018 C01A N00M 179.4(4) . . . . ?
C02N C018 C01A C01Y 1.2(7) . . . . ?
C02O C028 C02V N017 177.3(4) . . . . ?
C02O C028 C02V C031 -2.3(8) . . . . ?
C02O C03Y C04X C04K -14.1(8) . . . . ?
C02O C03Y C04X C05X 166.6(6) . . . . ?
C02P C03J C05F C05I 174.3(6) . . . . ?
C02Q N011 C02L C04L 1.7(7) . . . . ?
C02Q C032 C04V C05V 172.8(6) . . . . ?
C02Q C04P C05M C04L -0.3(8) . . . . ?
C02R N00Q C01O C01C -178.0(4) . . . . ?
C02R N00Q C01O C02I 2.4(6) . . . . ?
C02R C02Z C03B C02I 1.9(7) . . . . ?
C02S N00W C039 C03P -1.2(7) . . . . ?
C02S C03N C050 C056 179.8(5) . . . . ?
C02T N00T C027 C01X 178.3(4) . . . . ?
C02T N00T C027 C03Q -1.3(7) . . . . ?
C02T C025 C047 C043 179.4(5) . . . . ?
C02T C042 C04O C03Q -2.6(8) . . . . ?
C02T C042 C04O C05A 177.7(5) . . . . ?
C02U N00V C030 C03K -178.9(4) . . . . ?
C02U N00V C030 C04G 2.1(7) . . . . ?
C02U C04B C05B C04G 0.4(9) . . . . ?
C02V N017 C04R C04Q -1.0(7) . . . . ?
C02V C028 C02O C03Y -178.7(4) . . . . ?
C02V C031 C04E C04Q -0.3(8) . . . . ?
C02W N013 C032 C02Q -176.2(4) . . . . ?
C02W N013 C032 C04V -0.7(8) . . . . ?
C02W C02A C034 C04U 179.3(5) . . . . ?
C02W C051 C05V C04V -1.1(10) . . . . ?
C02W C051 C05V C05Z 177.5(7) . . . . ?
C02X C01K C021 N00L -178.7(4) . . . . ?
C02X C01K C021 C02B 1.9(8) . . . . ?
C02Y N00R C028 C02O -0.3(7) . . . . ?
C02Y N00R C028 C02V 179.4(4) . . . . ?
C02Y C035 C03Y C02O 0.8(7) . . . . ?
C02Y C035 C03Y C04X -177.5(5) . . . . ?
C02Y C03G C044 C053 178.6(5) . . . . ?
C030 N00V C02U C04B -1.0(7) . . . . ?
C030 C03K C058 C056 -177.3(5) . . . . ?
C030 C04G C05B C04B 0.6(9) . . . . ?
C031 C04E C04Q C04R 0.3(8) . . . . ?
C032 N013 C02W C02A -179.8(4) . . . . ?
C032 N013 C02W C051 2.7(7) . . . . ?
C032 C02Q C04P C05M -178.4(5) . . . . ?
C032 C04V C05V C051 3.1(10) . . . . ?
C032 C04V C05V C05Z -175.5(7) . . . . ?
C033 N00Z C03G C02Y -177.4(4) . . . . ?
C033 N00Z C03G C044 2.5(7) . . . . ?
C033 C03L C053 C044 1.4(8) . . . . ?
C034 C02A C02W N013 176.7(5) . . . . ?
C034 C02A C02W C051 -6.1(8) . . . . ?
C034 C04U C05L C041 0.3(8) . . . . ?
C035 C02Y C03G N00Z 177.0(5) . . . . ?
C035 C02Y C03G C044 -3.0(8) . . . . ?
C035 C03Y C04X C04K 164.1(5) . . . . ?
C035 C03Y C04X C05X -15.2(9) . . . . ?
C037 C01H C01N N00H -174.5(4) . . . . ?
C037 C01H C01N C029 5.6(8) . . . . ?
C038 C03U C059 C05P 178.7(6) . . . . ?
C039 N00W C02S C03N -177.9(4) . . . . ?
C039 N00W C02S C04C 0.6(7) . . . . ?
C039 C03P C049 C04C 0.3(8) . . . . ?
C03C C03E C03O N012 -1.2(7) . . . . ?
C03F N010 C01K C021 177.6(4) . . . . ?
C03F N010 C01K C02X -2.1(7) . . . . ?
C03F C03D C04N C02X -0.6(8) . . . . ?
C03G N00Z C033 C03L -1.8(7) . . . . ?
C03G C02Y C035 C03Y 179.5(5) . . . . ?
C03G C044 C053 C03L -0.7(9) . . . . ?
C03I C043 C047 C025 1.5(8) . . . . ?
C03J C01W C020 N019 1.6(8) . . . . ?
C03J C05F C05I N019 0.5(11) . . . . ?
C03K N00Y C03N C02S -179.5(4) . . . . ?
C03K N00Y C03N C050 -0.7(7) . . . . ?
C03K C030 C04G C05B 179.1(5) . . . . ?
C03M C03T C048 C02M 1.4(7) . . . . ?
C03N N00Y C03K C030 177.7(4) . . . . ?
C03N N00Y C03K C058 0.3(7) . . . . ?
C03N C02S C04C C049 178.7(5) . . . . ?
C03N C050 C056 C058 -1.2(8) . . . . ?
C03N C050 C056 C05H 178.4(5) . . . . ?
C03O N012 C01B C01F 1.2(7) . . . . ?
C03O N012 C01B C022 -178.0(4) . . . . ?
C03P C049 C04C C02S -0.8(8) . . . . ?
C03Q C04O C05A C05O -174.6(6) . . . . ?
C03Q C04O C05A C060 6.3(10) . . . . ?
C03S C03U C059 C05P 0.3(9) . . . . ?
C03T C01R C02B C021 -175.7(4) . . . . ?
C03T C03M C054 N016 1.2(8) . . . . ?
C03U C03S C052 N01P 0.0(9) . . . . ?
C03U C059 C05P N01P 0.5(10) . . . . ?
C03V C024 C02J C022 177.4(4) . . . . ?
C03V C055 C05N N01I -0.5(9) . . . . ?
C03X C01X C027 N00T -177.2(5) . . . . ?
C03X C01X C027 C03Q 2.5(9) . . . . ?
C03Y C04X C05X C05Y 178.2(7) . . . . ?
C040 N00X C02H C02F 178.8(4) . . . . ?
C040 N00X C02H C04A -1.7(7) . . . . ?
C040 C04S C05C C04A -1.8(9) . . . . ?
C041 N014 C02A C02W 179.9(4) . . . . ?
C041 N014 C02A C034 0.0(7) . . . . ?
C042 C04O C05A C05O 5.1(10) . . . . ?
C042 C04O C05A C060 -174.0(7) . . . . ?
C047 C025 C02T N00T 179.3(5) . . . . ?
C047 C025 C02T C042 -0.4(9) . . . . ?
C04C C02S C03N N00Y -175.6(5) . . . . ?
C04C C02S C03N C050 5.7(8) . . . . ?
C04E C04Q C04R N017 0.4(8) . . . . ?
C04G C030 C03K N00Y 173.0(5) . . . . ?
C04G C030 C03K C058 -9.8(9) . . . . ?
C04I N019 C020 C01W 173.2(5) . . . . ?
C04I N019 C05I C05F -174.3(6) . . . . ?
C04K C04X C05X C05Y -1.1(11) . . . . ?
C04M N01L C04W C04K 178.7(6) . . . . ?
C04M N01L C05Y C05X -178.1(7) . . . . ?
C04N C03D C03F N010 0.4(8) . . . . ?
C04O C05A C05O C05U 179.0(7) . . . . ?
C04O C05A C060 C068 -176.3(8) . . . . ?
C04P C02Q C032 N013 -172.1(5) . . . . ?
C04P C02Q C032 C04V 12.5(9) . . . . ?
C04R N017 C02V C028 -178.7(4) . . . . ?
C04R N017 C02V C031 0.9(7) . . . . ?
C04V C05V C05Z C06C -36.0(13) . . . . ?
C04V C05V C05Z C06F 140.0(9) . . . . ?
C04W N01L C05Y C05X 0.7(12) . . . . ?
C04W C04K C04X C03Y -177.6(6) . . . . ?
C04W C04K C04X C05X 1.7(9) . . . . ?
C04X C04K C04W N01L -1.2(10) . . . . ?
C04X C05X C05Y N01L -0.1(13) . . . . ?
C050 C056 C058 C03K 0.8(9) . . . . ?
C050 C056 C05H C061 151.5(7) . . . . ?
C050 C056 C05H C06K -28.6(11) . . . . ?
C051 C05V C05Z C06C 145.4(9) . . . . ?
C051 C05V C05Z C06F -38.6(13) . . . . ?
C052 N01P C05P C059 -1.1(10) . . . . ?
C052 C03S C03U C038 -178.9(5) . . . . ?
C052 C03S C03U C059 -0.6(8) . . . . ?
C054 N016 C02M C048 0.1(8) . . . . ?
C054 C03M C03T C01R -179.1(5) . . . . ?
C054 C03M C03T C048 -1.7(7) . . . . ?
C055 C03V C05K C05J 1.7(8) . . . . ?
C056 C05H C061 C066 178.8(7) . . . . ?
C056 C05H C06K C06O 179.3(11) . . . . ?
C058 C056 C05H C061 -29.0(10) . . . . ?
C058 C056 C05H C06K 151.0(9) . . . . ?
C05A C05O C05U N045 -1.3(13) . . . . ?
C05A C060 C068 N045 -4.3(15) . . . . ?
C05D C01E C01J N00M 174.1(5) . . . . ?
C05D C01E C01J C023 -7.2(8) . . . . ?
C05E N01P C052 C03S -175.1(6) . . . . ?
C05E N01P C05P C059 174.9(6) . . . . ?
C05G N016 C02M C048 176.5(5) . . . . ?
C05G N016 C054 C03M -176.7(5) . . . . ?
C05H C056 C058 C03K -178.7(5) . . . . ?
C05H C061 C066 N04D 0.2(13) . . . . ?
C05H C06K C06O N04D 4(2) . . . . ?
C05I N019 C020 C01W -2.7(8) . . . . ?
C05J N01I C05N C055 0.1(9) . . . . ?
C05K C03V C055 C05N -0.4(8) . . . . ?
C05N N01I C05J C05K 1.1(9) . . . . ?
C05O C05A C060 C068 4.6(13) . . . . ?
C05P N01P C052 C03S 0.8(9) . . . . ?
C05R N01I C05J C05K -178.8(5) . . . . ?
C05R N01I C05N C055 -179.9(5) . . . . ?
C05U N045 C068 C060 1.0(14) . . . . ?
C05V C05Z C06C C06N 178.3(10) . . . . ?
C05V C05Z C06F C06J -173.4(10) . . . . ?
C05Y N01L C04W C04K -0.1(10) . . . . ?
C05Z C06C C06N N069 -8.3(17) . . . . ?
C05Z C06F C06J N069 -1.3(18) . . . . ?
C060 C05A C05O C05U -1.8(11) . . . . ?
C061 C05H C06K C06O -0.8(17) . . . . ?
C064 N04D C066 C061 -178.1(8) . . . . ?
C064 N04D C06O C06K 176.1(11) . . . . ?
C066 N04D C06O C06K -4.9(19) . . . . ?
C067 N045 C05U C05O -175.5(8) . . . . ?
C067 N045 C068 C060 178.3(9) . . . . ?
C068 N045 C05U C05O 1.8(13) . . . . ?
C06C C05Z C06F C06J 2.7(17) . . . . ?
C06F C05Z C06C C06N 2.2(16) . . . . ?
C06J N069 C06N C06C 9.9(18) . . . . ?
C06K C05H C061 C066 -1.1(13) . . . . ?
C06N N069 C06J C06F -5.1(18) . . . . ?
C06O N04D C066 C061 2.9(14) . . . . ?
C8 N069 C06J C06F -173.5(11) . . . . ?
C8 N069 C06N C06C 178.3(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
