# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_HNUST-17
_database_code_depnum_ccdc_archive 'CCDC 2348601'
loop_
_audit_author_name
_audit_author_address
'Baishu Zheng'
;Hunan University of Science and Technology
China
;
_audit_update_record             
;
2024-04-16 deposited with the CCDC.	2024-11-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H22 Cu2 N4 O11'
_chemical_formula_weight         801.64

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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           229
_space_group_name_H-M_alt        'I m -3 m'
_space_group_name_Hall           '-I 4 2 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-z+1/2, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, -z+1/2, x+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'x+1/2, z+1/2, -y+1/2'
'-x+1/2, z+1/2, y+1/2'
'-x+1/2, -z+1/2, -y+1/2'
'x+1/2, -z+1/2, y+1/2'
'z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, x+1/2'
'-z+1/2, -y+1/2, -x+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-z+1/2, -x+1/2, -y+1/2'
'-z+1/2, x+1/2, y+1/2'
'z+1/2, x+1/2, -y+1/2'
'z+1/2, -x+1/2, y+1/2'
'-y+1/2, -z+1/2, -x+1/2'
'y+1/2, -z+1/2, x+1/2'
'-y+1/2, z+1/2, x+1/2'
'y+1/2, z+1/2, -x+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-x+1/2, -z+1/2, y+1/2'
'x+1/2, -z+1/2, -y+1/2'
'x+1/2, z+1/2, y+1/2'
'-x+1/2, z+1/2, -y+1/2'
'-z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, -x+1/2'
'z+1/2, y+1/2, x+1/2'

_cell_length_a                   36.130(8)
_cell_length_b                   36.130(8)
_cell_length_c                   36.130(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     47164(31)
_cell_formula_units_Z            24
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9979
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      25.26

_exptl_crystal_description       block
_exptl_crystal_colour            pale
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.677
_exptl_crystal_F_000             9744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    0.571
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            196755
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_av_R_equivalents  0.0914
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         2.109
_diffrn_reflns_theta_max         25.373
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             4061
_reflns_number_gt                3102
_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.
 
 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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1056P)²+144.0700P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         4061
_refine_ls_number_parameters     206
_refine_ls_number_restraints     196
_refine_ls_R_factor_all          0.1102
_refine_ls_R_factor_gt           0.0904
_refine_ls_wR_factor_ref         0.2601
_refine_ls_wR_factor_gt          0.2374
_refine_ls_goodness_of_fit_ref   1.263
_refine_ls_restrained_S_all      1.350
_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
Cu2 Cu 0.500000 0.65611(2) 0.65611(2) 0.0516(4) Uani 1 4 d S TU P . 4
Cu1 Cu 0.500000 0.70804(2) 0.70804(2) 0.0579(4) Uani 1 4 d S T P . 4
O1 O 0.53804(9) 0.68655(9) 0.63323(9) 0.0692(9) Uani 1 1 d . U . . 4
N1 N 0.500000 0.74958(13) 0.74958(13) 0.0585(18) Uani 1 4 d S T P . 4
O2 O 0.53848(10) 0.73004(11) 0.67681(10) 0.0812(11) Uani 1 1 d . U . . 4
C3 C 0.59851(14) 0.7174(2) 0.59851(14) 0.0663(17) Uani 1 2 d S TU P . 4
H3E H 0.588395 0.696002 0.588395 0.080 Uiso 1 2 calc R U P . 4
C2 C 0.58267(14) 0.73326(14) 0.62937(14) 0.0675(13) Uani 1 1 d . U . . 4
C1 C 0.55081(12) 0.71479(14) 0.64850(14) 0.0615(12) Uani 1 1 d . U . . 4
C6 C 0.53129(19) 0.76300(13) 0.76300(13) 0.0712(18) Uani 1 2 d S TU P . 4
H6 H 0.553420 0.753710 0.753710 0.085 Uiso 1 2 calc R U P . 4
O3 O 0.500000 0.61361(18) 0.61361(18) 0.111(2) Uani 1 4 d S TU P . 4
H3A H 0.509488 0.590955 0.623602 0.167 Uiso 0.25 1 d R U P . 4
H3B H 0.515335 0.621356 0.593201 0.167 Uiso 0.25 1 d R U P . 4
N3 N 0.6443(2) 0.8124(2) 0.6443(2) 0.122(3) Uani 1 2 d S T P . 4
H3 H 0.637527 0.823074 0.666416 0.146 Uiso 0.5 1 d R U P . 4
C4 C 0.59765(17) 0.76465(17) 0.64426(17) 0.0873(17) Uani 1 1 d . U . . 4
H4 H 0.586908 0.775476 0.665001 0.105 Uiso 1 1 calc R U . . 4
C7 C 0.5330(2) 0.78974(16) 0.78974(16) 0.090(2) Uani 1 2 d S TU P . 4
C5 C 0.62855(18) 0.7802(2) 0.62855(18) 0.093(2) Uani 1 2 d S TU P . 4
C8 C 0.500000 0.8040(3) 0.8040(3) 0.104(3) Uani 1 4 d S TU P . 4
N2 N 0.500000 0.8315(3) 0.8315(3) 0.133(3) Uani 1 4 d S TU P . 4
H2A H 0.520614 0.839938 0.839938 0.160 Uiso 0.5 2 calc R U P . 4
H2B H 0.479386 0.839938 0.839938 0.160 Uiso 0.5 2 calc R U P . 4
O15 O 0.6753(7) 0.8449(7) 0.5820(7) 0.143(6) Uani 0.25 1 d . U P . 4
C25 C 0.7223(4) 0.8738(4) 0.6581(5) 0.123(5) Uani 0.311(7) 1 d G U P . 4
H25 H 0.741045 0.857567 0.650605 0.147 Uiso 0.311(7) 1 d R U P . 4
C27 C 0.7317(3) 0.9078(4) 0.6736(4) 0.112(5) Uani 0.311(7) 1 d G U P . 4
H27 H 0.756292 0.915825 0.673252 0.135 Uiso 0.311(7) 1 d R U P . 4
C28 C 0.7044(3) 0.9299(3) 0.6894(3) 0.095(3) Uani 0.311(7) 1 d G U P . 4
C29 C 0.6679(3) 0.9179(4) 0.6899(4) 0.107(5) Uani 0.311(7) 1 d G U P . 4
H29 H 0.649547 0.932765 0.700575 0.128 Uiso 0.311(7) 1 d R U P . 4
C30 C 0.6585(3) 0.8839(4) 0.6745(5) 0.108(5) Uani 0.311(7) 1 d G U P . 4
H30 H 0.633935 0.875885 0.674765 0.130 Uiso 0.311(7) 1 d R U P . 4
C26 C 0.6858(5) 0.8619(3) 0.6586(5) 0.123(5) Uani 0.311(7) 1 d G U P . 4
O14 O 0.7078(7) 0.8091(7) 0.6266(8) 0.154(6) Uani 0.25 1 d . U P . 4
C50 C 0.6836(7) 0.8683(5) 0.6495(6) 0.095(6) Uani 0.189(7) 1 d G U P . 4
C51 C 0.7026(7) 0.8965(7) 0.6315(5) 0.097(6) Uani 0.189(7) 1 d G U P . 4
H51 H 0.705866 0.893679 0.604678 0.116 Uiso 0.189(7) 1 d R U P . 4
C52 C 0.7153(8) 0.9269(6) 0.6514(7) 0.101(5) Uani 0.189(7) 1 d G U P . 4
H52 H 0.730087 0.944665 0.635859 0.121 Uiso 0.189(7) 1 d R U P . 4
C53 C 0.7044(3) 0.9299(3) 0.6894(3) 0.095(3) Uani 0.189(7) 1 d G U P . 4
C54 C 0.6899(8) 0.9009(7) 0.7073(5) 0.100(6) Uani 0.189(7) 1 d G U P . 4
H54 H 0.689395 0.905180 0.731950 0.120 Uiso 0.189(7) 1 d R U P . 4
C55 C 0.6772(7) 0.8705(5) 0.6874(6) 0.097(6) Uani 0.189(7) 1 d G U P . 4
H55 H 0.665276 0.854333 0.700744 0.117 Uiso 0.189(7) 1 d R U P . 4
C24 C 0.6740(6) 0.8315(6) 0.6305(6) 0.147(4) Uani 0.5 1 d . U P . 4


_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
Cu2 O1 1.945(3) 67 ?
Cu2 O1 1.945(3) 18_655 ?
Cu2 O1 1.945(3) 52_655 ?
Cu2 O1 1.945(3) . ?
Cu2 O3 2.172(9) . ?
Cu2 Cu1 2.6535(14) . ?
Cu1 O2 1.959(4) . ?
Cu1 O2 1.959(4) 18_655 ?
Cu1 O2 1.959(4) 52_655 ?
Cu1 O2 1.959(4) 67 ?
Cu1 N1 2.122(7) . ?
O1 C1 1.248(5) . ?
N1 C6 1.322(8) 52_655 ?
N1 C6 1.322(8) . ?
O2 C1 1.244(5) . ?
C3 C2 1.378(6) 72 ?
C3 C2 1.378(6) . ?
C2 C4 1.367(7) . ?
C2 C1 1.499(7) . ?
C6 C7 1.368(10) . ?
N3 C24 1.37(2) . ?
N3 C24 1.37(2) 72 ?
N3 C5 1.418(10) . ?
C4 C5 1.372(7) . ?
C7 C8 1.399(12) . ?
C7 C28 1.55(6) 38_666 ?
C7 C28 1.55(6) 81_666 ?
C8 N2 1.404(19) . ?
O15 C24 1.82(3) . ?
C25 C27 1.3900 . ?
C25 C26 1.3900 . ?
C25 C55 1.44(3) 72 ?
C25 C54 1.60(2) 72 ?
C25 C30 1.77(2) 72 ?
C27 C54 1.09(3) 72 ?
C27 C28 1.3900 . ?
C27 C29 1.567(13) 72 ?
C27 C28 2.05(2) 72 ?
C28 C28 0.77(2) 72 ?
C28 C54 1.05(2) 72 ?
C28 C29 1.034(4) 72 ?
C28 C54 1.34(2) . ?
C28 C29 1.3900 . ?
C28 C52 1.43(3) . ?
C29 C29 1.12(2) 72 ?
C29 C52 1.14(3) 72 ?
C29 C30 1.3900 . ?
C29 C54 1.55(2) 72 ?
C29 C30 1.688(18) 72 ?
C29 C51 1.59(4) 72 ?
C29 C55 1.91(2) 72 ?
C29 C50 1.93(2) 72 ?
C30 C30 0.81(3) 72 ?
C30 C50 0.73(3) 72 ?
C30 C26 0.895(12) 72 ?
C30 C55 1.15(3) 72 ?
C30 C26 1.3900 . ?
C30 C51 1.48(3) 72 ?
C30 C54 1.95(2) 72 ?
C26 C55 0.74(2) 72 ?
C26 C26 1.39(4) 72 ?
C26 C50 1.61(3) 72 ?
C26 C24 1.55(2) . ?
C26 C54 1.97(2) 72 ?
O14 C24 1.47(3) . ?
C50 C55 1.01(3) 72 ?
C50 C51 1.3900 . ?
C50 C55 1.3900 . ?
C50 C24 1.53(3) . ?
C50 C50 1.74(5) 72 ?
C50 C54 2.062(9) 72 ?
C51 C52 1.3900 . ?
C51 C55 1.98(3) 72 ?
C51 C54 2.12(3) 72 ?
C52 C54 1.70(3) 72 ?
C54 C54 0.89(5) 72 ?
C54 C55 1.3900 . ?
C54 C55 1.55(2) 72 ?
C55 C55 0.52(4) 72 ?

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 Cu2 O1 89.9(2) 67 18_655 ?
O1 Cu2 O1 168.60(18) 67 52_655 ?
O1 Cu2 O1 88.9(2) 18_655 52_655 ?
O1 Cu2 O1 88.9(2) 67 . ?
O1 Cu2 O1 168.60(18) 18_655 . ?
O1 Cu2 O1 89.9(2) 52_655 . ?
O1 Cu2 O3 95.70(9) 67 . ?
O1 Cu2 O3 95.70(9) 18_655 . ?
O1 Cu2 O3 95.70(9) 52_655 . ?
O1 Cu2 O3 95.70(9) . . ?
O1 Cu2 Cu1 84.30(9) 67 . ?
O1 Cu2 Cu1 84.30(9) 18_655 . ?
O1 Cu2 Cu1 84.30(9) 52_655 . ?
O1 Cu2 Cu1 84.30(9) . . ?
O3 Cu2 Cu1 180.0(3) . . ?
O2 Cu1 O2 166.2(2) . 18_655 ?
O2 Cu1 O2 90.4(2) . 52_655 ?
O2 Cu1 O2 87.9(3) 18_655 52_655 ?
O2 Cu1 N1 96.92(10) . . ?
O2 Cu1 N1 96.91(10) 18_655 . ?
O2 Cu1 N1 96.91(10) 52_655 . ?
O2 Cu1 N1 96.91(10) 67 . ?
O2 Cu1 Cu2 83.08(10) . . ?
O2 Cu1 Cu2 83.09(10) 18_655 . ?
O2 Cu1 Cu2 83.09(10) 52_655 . ?
O2 Cu1 Cu2 83.09(10) 67 . ?
N1 Cu1 Cu2 180.00(18) . . ?
C1 O1 Cu2 122.4(3) . . ?
C6 N1 C6 117.5(8) 52_655 . ?
C6 N1 Cu1 121.2(4) 52_655 . ?
C6 N1 Cu1 121.2(4) . . ?
C1 O2 Cu1 123.2(3) . . ?
C2 C3 C2 119.9(6) 72 . ?
C4 C2 C3 119.9(5) . . ?
C4 C2 C1 119.5(4) . . ?
C3 C2 C1 120.4(4) . . ?
O2 C1 O1 126.4(4) . . ?
O2 C1 C2 117.2(4) . . ?
O1 C1 C2 116.4(4) . . ?
N1 C6 C7 123.9(7) . . ?
C24 N3 C24 108.5(17) . 72 ?
C24 N3 C5 125.6(9) . . ?
C24 N3 C5 125.6(9) 72 . ?
C2 C4 C5 119.9(6) . . ?
C6 C7 C8 118.9(9) . . ?
C6 C7 C28 119(3) . 81_666 ?
C8 C7 C28 121(3) . 81_666 ?
C28 C7 C28 28.6(18) 38_666 81_666 ?
C4 C5 C4 120.4(8) 72 . ?
C4 C5 N3 119.8(4) 72 . ?
C4 C5 N3 119.8(4) . . ?
N2 C8 C7 121.5(7) . . ?
N2 C8 C7 121.5(7) . 52_655 ?
C7 C8 C7 117.0(13) . 52_655 ?
C27 C25 C26 120.0 . . ?
C54 C27 C25 79.6(12) 72 . ?
C54 C27 C28 48.3(13) 72 . ?
C25 C27 C28 120.0 . . ?
C28 C28 C54 51.7(12) 72 . ?
C54 C28 C54 42(2) 72 . ?
C29 C28 C54 80.6(12) 72 . ?
C28 C28 C29 47.1 72 . ?
C54 C28 C29 77.5(12) 72 . ?
C29 C28 C29 52.9(12) 72 . ?
C54 C28 C29 51.5(13) . . ?
C28 C28 C27 142.4 72 . ?
C54 C28 C27 50.7(14) 72 . ?
C29 C28 C27 79.1(9) 72 . ?
C54 C28 C27 91.6(12) . . ?
C29 C28 C27 120.0 . . ?
C28 C28 C52 150.6(13) 72 . ?
C54 C28 C52 85.1(16) 72 . ?
C29 C28 C52 52.0(14) 72 . ?
C54 C28 C52 120.8(15) . . ?
C29 C28 C52 104.3(12) . . ?
C27 C28 C52 50.8(13) . . ?
C28 C28 C27 24.4(3) 72 72 ?
C54 C28 C27 69.8(13) 72 72 ?
C29 C28 C27 97.0(11) 72 72 ?
C54 C28 C27 28.7(10) . 72 ?
C29 C28 C27 49.75(8) . 72 ?
C27 C28 C27 118.0(3) . 72 ?
C52 C28 C27 146.4(10) . 72 ?
C7 C28 C27 92.8(8) 77_666 72 ?
C29 C29 C30 83.6 72 . ?
C28 C29 C30 139.0(4) 72 . ?
C52 C29 C30 116.5(19) 72 . ?
C29 C29 C28 47.1 72 . ?
C28 C29 C28 32.9(12) 72 . ?
C52 C29 C28 115(2) 72 . ?
C30 C29 C28 120.0 . . ?
C29 C29 C27 126.1(7) 72 72 ?
C28 C29 C27 60.5(7) 72 72 ?
C52 C29 C27 50(2) 72 72 ?
C30 C29 C27 102.2 . 72 ?
C28 C29 C27 87.6(6) . 72 ?
C54 C29 C27 77.7(9) 72 72 ?
C30 C29 C27 117.3(4) 72 72 ?
C51 C29 C27 73.6(14) 72 72 ?
C30 C30 C29 96.4 72 . ?
C50 C30 C29 128(2) 72 . ?
C26 C30 C29 127.1(9) 72 . ?
C55 C30 C29 96.7(11) 72 . ?
C30 C30 C26 37.6 72 . ?
C50 C30 C26 93(2) 72 . ?
C26 C30 C26 71(2) 72 . ?
C55 C30 C26 32.4(12) 72 . ?
C29 C30 C26 120.0 . . ?
C55 C26 C30 56.2(19) 72 . ?
C30 C26 C30 33.7(19) 72 . ?
C26 C26 C30 37.6 72 . ?
C55 C26 C25 79(2) 72 . ?
C30 C26 C25 99.1(13) 72 . ?
C26 C26 C25 132.9 72 . ?
C30 C26 C25 120.0 . . ?
C55 C26 C24 155(3) 72 . ?
C30 C26 C24 120.1(14) 72 . ?
C26 C26 C24 105.6(14) 72 . ?
C30 C26 C24 118.8(14) . . ?
C25 C26 C24 118.1(13) . . ?
C50 C26 C24 104.3(14) 72 . ?
C30 C50 C51 82.2(19) 72 . ?
C55 C50 C51 109.7(13) 72 . ?
C30 C50 C55 56(2) 72 . ?
C55 C50 C55 17(2) 72 . ?
C51 C50 C55 120.0 . . ?
C30 C50 C24 140(3) 72 . ?
C55 C50 C24 123(2) 72 . ?
C51 C50 C24 122.4(17) . . ?
C55 C50 C24 117.0(17) . . ?
C26 C50 C24 96.5(15) 72 . ?
C50 C51 C52 120.0 . . ?
C29 C52 C51 77.3(12) 72 . ?
C29 C52 C28 45.7(9) 72 . ?
C51 C52 C28 117.7(9) . . ?
C27 C54 C28 115(2) 72 . ?
C54 C54 C28 51.7(13) 72 . ?
C28 C54 C28 35.0(13) 72 . ?
C27 C54 C55 115(2) 72 . ?
C54 C54 C55 82.4 72 . ?
C28 C54 C55 137.0(19) 72 . ?
C28 C54 C55 119.9(10) . . ?
C55 C55 C54 97.6 72 . ?
C26 C55 C54 132(3) 72 . ?
C50 C55 C54 117(2) 72 . ?
C30 C55 C54 99.4(12) 72 . ?
C55 C55 C50 35.6 72 . ?
C26 C55 C50 93(2) 72 . ?
C50 C55 C50 91(3) 72 . ?
C30 C55 C50 31.7(13) 72 . ?
C54 C55 C50 120.0 . . ?
N3 C24 O14 114(2) . . ?
N3 C24 C26 109.3(15) . . ?
O14 C24 C26 103.1(18) . . ?
N3 C24 C50 116.7(17) . . ?
O14 C24 C50 110(2) . . ?
C26 C24 C50 15.2(12) . . ?
N3 C24 O15 120.3(17) . . ?
O14 C24 O15 91.8(18) . . ?
C26 C24 O15 115.8(16) . . ?
C50 C24 O15 101.3(16) . . ?

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
C2 C3 C2 C4 -0.2(12) 72 . . . ?
C2 C3 C2 C1 -175.5(4) 72 . . . ?
Cu1 O2 C1 O1 9.6(8) . . . . ?
Cu1 O2 C1 C2 -174.4(4) . . . . ?
Cu2 O1 C1 O2 -10.1(8) . . . . ?
Cu2 O1 C1 C2 174.0(3) . . . . ?
C4 C2 C1 O2 2.6(8) . . . . ?
C3 C2 C1 O2 178.0(6) . . . . ?
C4 C2 C1 O1 179.0(5) . . . . ?
C3 C2 C1 O1 -5.6(8) . . . . ?
C6 N1 C6 C7 0.000(2) 52_655 . . . ?
Cu1 N1 C6 C7 180.000(1) . . . . ?
C3 C2 C4 C5 -0.4(11) . . . . ?
C1 C2 C4 C5 175.0(7) . . . . ?
N1 C6 C7 C8 0.000(2) . . . . ?
N1 C6 C7 C28 163.7(9) . . . 38_666 ?
N1 C6 C7 C28 -163.7(7) . . . 81_666 ?
C2 C4 C5 C4 0.9(15) . . . 72 ?
C2 C4 C5 N3 -179.1(8) . . . . ?
C24 N3 C5 C4 3(2) . . . 72 ?
C24 N3 C5 C4 176.9(15) 72 . . 72 ?
C24 N3 C5 C4 -176.9(15) . . . . ?
C24 N3 C5 C4 -3(2) 72 . . . ?
C6 C7 C8 N2 180.000(2) . . . . ?
C28 C7 C8 N2 16.7(16) 38_666 . . . ?
C28 C7 C8 N2 -16.7(13) 81_666 . . . ?
C6 C7 C8 C7 0.000(2) . . . 52_655 ?
C28 C7 C8 C7 -163.3(16) 38_666 . . 52_655 ?
C28 C7 C8 C7 163.3(13) 81_666 . . 52_655 ?
C26 C25 C27 C54 27.5(12) . . . 72 ?
C55 C25 C27 C54 8.6(13) 72 . . 72 ?
C30 C25 C27 C54 41.2(14) 72 . . 72 ?
C26 C25 C27 C28 0.0 . . . . ?
C55 C25 C27 C28 -18.9(10) 72 . . . ?
C54 C25 C27 C28 -27.5(12) 72 . . . ?
C30 C25 C27 C28 13.7(7) 72 . . . ?
C26 C25 C27 C29 -21.7(6) . . . 72 ?
C55 C25 C27 C29 -40.6(12) 72 . . 72 ?
C54 C25 C27 C29 -49.2(14) 72 . . 72 ?
C30 C25 C27 C29 -8.0(5) 72 . . 72 ?
C26 C25 C27 C28 12.0(2) . . . 72 ?
C55 C25 C27 C28 -6.9(11) 72 . . 72 ?
C54 C25 C27 C28 -15.5(12) 72 . . 72 ?
C30 C25 C27 C28 25.7(7) 72 . . 72 ?
C54 C27 C28 C28 20.0(15) 72 . . 72 ?
C25 C27 C28 C28 57.4 . . . 72 ?
C29 C27 C28 C28 92.2(7) 72 . . 72 ?
C25 C27 C28 C54 37.4(15) . . . 72 ?
C29 C27 C28 C54 72.1(17) 72 . . 72 ?
C28 C27 C28 C54 -20.0(15) 72 . . 72 ?
C54 C27 C28 C29 -72.1(17) 72 . . 72 ?
C25 C27 C28 C29 -34.7(8) . . . 72 ?
C28 C27 C28 C29 -92.2(7) 72 . . 72 ?
C54 C27 C28 C54 8.0(8) 72 . . . ?
C25 C27 C28 C54 45.4(11) . . . . ?
C29 C27 C28 C54 80.1(13) 72 . . . ?
C28 C27 C28 C54 -12.0(11) 72 . . . ?
C54 C27 C28 C29 -37.4(15) 72 . . . ?
C25 C27 C28 C29 0.0 . . . . ?
C29 C27 C28 C29 34.7(7) 72 . . . ?
C28 C27 C28 C29 -57.4 72 . . . ?
C54 C27 C28 C52 -122(2) 72 . . . ?
C25 C27 C28 C52 -84.1(13) . . . . ?
C29 C27 C28 C52 -49.4(14) 72 . . . ?
C28 C27 C28 C52 -141.6(13) 72 . . . ?
C54 C27 C28 C7 137.9(19) 72 . . 77_666 ?
C25 C27 C28 C7 175.3(11) . . . 77_666 ?
C29 C27 C28 C7 -150.0(15) 72 . . 77_666 ?
C28 C27 C28 C7 117.8(11) 72 . . 77_666 ?
C54 C27 C28 C27 20.0(15) 72 . . 72 ?
C25 C27 C28 C27 57.4 . . . 72 ?
C29 C27 C28 C27 92.2(7) 72 . . 72 ?
C28 C27 C28 C27 0.0 72 . . 72 ?
C28 C28 C29 C29 180.0 72 . . 72 ?
C54 C28 C29 C29 -73.4(13) 72 . . 72 ?
C54 C28 C29 C29 -110.0(13) . . . 72 ?
C27 C28 C29 C29 -44.6 . . . 72 ?
C52 C28 C29 C29 8.1(12) . . . 72 ?
C7 C28 C29 C29 139.5(9) 77_666 . . 72 ?
C27 C28 C29 C29 -147.4(3) 72 . . 72 ?
C54 C28 C29 C28 106.6(13) 72 . . 72 ?
C29 C28 C29 C28 180.0 72 . . 72 ?
C54 C28 C29 C28 70.0(13) . . . 72 ?
C27 C28 C29 C28 135.4 . . . 72 ?
C52 C28 C29 C28 -171.9(12) . . . 72 ?
C7 C28 C29 C28 -40.5(10) 77_666 . . 72 ?
C27 C28 C29 C28 32.6(3) 72 . . 72 ?
C28 C28 C29 C52 11(2) 72 . . 72 ?
C54 C28 C29 C52 118(3) 72 . . 72 ?
C29 C28 C29 C52 -169(2) 72 . . 72 ?
C54 C28 C29 C52 81.0(19) . . . 72 ?
C27 C28 C29 C52 146(2) . . . 72 ?
C52 C28 C29 C52 -161(2) . . . 72 ?
C7 C28 C29 C52 -29(2) 77_666 . . 72 ?
C27 C28 C29 C52 44(2) 72 . . 72 ?
C28 C28 C29 C30 -135.4 72 . . . ?
C54 C28 C29 C30 -28.8(13) 72 . . . ?
C29 C28 C29 C30 44.6 72 . . . ?
C54 C28 C29 C30 -65.4(13) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C52 C28 C29 C30 52.7(12) . . . . ?
C7 C28 C29 C30 -175.9(10) 77_666 . . . ?
C27 C28 C29 C30 -102.8(3) 72 . . . ?
C28 C28 C29 C54 -106.6(13) 72 . . 72 ?
C29 C28 C29 C54 73.4(13) 72 . . 72 ?
C54 C28 C29 C54 -36.6(19) . . . 72 ?
C27 C28 C29 C54 28.8(13) . . . 72 ?
C52 C28 C29 C54 81.5(16) . . . 72 ?
C7 C28 C29 C54 -147.1(17) 77_666 . . 72 ?
C27 C28 C29 C54 -74.0(13) 72 . . 72 ?
C28 C28 C29 C30 -149.8(4) 72 . . 72 ?
C54 C28 C29 C30 -43.2(14) 72 . . 72 ?
C29 C28 C29 C30 30.2(4) 72 . . 72 ?
C54 C28 C29 C30 -79.8(12) . . . 72 ?
C27 C28 C29 C30 -14.4(4) . . . 72 ?
C52 C28 C29 C30 38.3(13) . . . 72 ?
C7 C28 C29 C30 169.7(10) 77_666 . . 72 ?
C27 C28 C29 C30 -117.2(5) 72 . . 72 ?
C28 C28 C29 C51 -54(4) 72 . . 72 ?
C54 C28 C29 C51 52(4) 72 . . 72 ?
C29 C28 C29 C51 126(4) 72 . . 72 ?
C54 C28 C29 C51 16(4) . . . 72 ?
C27 C28 C29 C51 81(4) . . . 72 ?
C52 C28 C29 C51 134(4) . . . 72 ?
C7 C28 C29 C51 -95(5) 77_666 . . 72 ?
C27 C28 C29 C51 -21(4) 72 . . 72 ?
C28 C28 C29 C27 -32.6(3) 72 . . 72 ?
C54 C28 C29 C27 74.0(13) 72 . . 72 ?
C29 C28 C29 C27 147.4(3) 72 . . 72 ?
C54 C28 C29 C27 37.4(12) . . . 72 ?
C27 C28 C29 C27 102.8(3) . . . 72 ?
C52 C28 C29 C27 155.5(13) . . . 72 ?
C7 C28 C29 C27 -73.1(10) 77_666 . . 72 ?
C28 C28 C29 C55 -121.3(8) 72 . . 72 ?
C54 C28 C29 C55 -14.6(12) 72 . . 72 ?
C29 C28 C29 C55 58.7(8) 72 . . 72 ?
C54 C28 C29 C55 -51.2(14) . . . 72 ?
C27 C28 C29 C55 14.2(8) . . . 72 ?
C52 C28 C29 C55 66.9(15) . . . 72 ?
C7 C28 C29 C55 -161.7(10) 77_666 . . 72 ?
C27 C28 C29 C55 -88.6(8) 72 . . 72 ?
C28 C28 C29 C50 -116.6(13) 72 . . 72 ?
C54 C28 C29 C50 -9.9(19) 72 . . 72 ?
C29 C28 C29 C50 63.4(13) 72 . . 72 ?
C54 C28 C29 C50 -46.5(16) . . . 72 ?
C27 C28 C29 C50 18.8(13) . . . 72 ?
C52 C28 C29 C50 72(2) . . . 72 ?
C7 C28 C29 C50 -157.0(14) 77_666 . . 72 ?
C27 C28 C29 C50 -83.9(14) 72 . . 72 ?
C29 C29 C30 C30 0.0 72 . . 72 ?
C28 C29 C30 C30 -66.7(17) 72 . . 72 ?
C52 C29 C30 C30 -177(3) 72 . . 72 ?
C28 C29 C30 C30 -31.2 . . . 72 ?
C54 C29 C30 C30 -49.9(10) 72 . . 72 ?
C51 C29 C30 C30 172.3(17) 72 . . 72 ?
C27 C29 C30 C30 -125.6(7) 72 . . 72 ?
C55 C29 C30 C30 -55.1(13) 72 . . 72 ?
C50 C29 C30 C30 -153(3) 72 . . 72 ?
C29 C29 C30 C50 153(3) 72 . . 72 ?
C28 C29 C30 C50 86(4) 72 . . 72 ?
C52 C29 C30 C50 -24(4) 72 . . 72 ?
C28 C29 C30 C50 122(3) . . . 72 ?
C54 C29 C30 C50 103(3) 72 . . 72 ?
C30 C29 C30 C50 153(3) 72 . . 72 ?
C51 C29 C30 C50 -34(3) 72 . . 72 ?
C27 C29 C30 C50 28(3) 72 . . 72 ?
C55 C29 C30 C50 98(4) 72 . . 72 ?
C29 C29 C30 C26 119(3) 72 . . 72 ?
C28 C29 C30 C26 53(3) 72 . . 72 ?
C52 C29 C30 C26 -58(4) 72 . . 72 ?
C28 C29 C30 C26 88(3) . . . 72 ?
C54 C29 C30 C26 69(3) 72 . . 72 ?
C30 C29 C30 C26 119(3) 72 . . 72 ?
C51 C29 C30 C26 -68(3) 72 . . 72 ?
C27 C29 C30 C26 -6(2) 72 . . 72 ?
C55 C29 C30 C26 64(2) 72 . . 72 ?
C50 C29 C30 C26 -34(4) 72 . . 72 ?
C29 C29 C30 C55 55.1(13) 72 . . 72 ?
C28 C29 C30 C55 -12(2) 72 . . 72 ?
C52 C29 C30 C55 -122(3) 72 . . 72 ?
C28 C29 C30 C55 24.0(13) . . . 72 ?
C54 C29 C30 C55 5.2(13) 72 . . 72 ?
C30 C29 C30 C55 55.1(13) 72 . . 72 ?
C51 C29 C30 C55 -133(3) 72 . . 72 ?
C27 C29 C30 C55 -70.4(13) 72 . . 72 ?
C50 C29 C30 C55 -98(4) 72 . . 72 ?
C29 C29 C30 C26 31.2 72 . . . ?
C28 C29 C30 C26 -35.6(17) 72 . . . ?
C52 C29 C30 C26 -146(3) 72 . . . ?
C28 C29 C30 C26 0.0 . . . . ?
C54 C29 C30 C26 -18.7(10) 72 . . . ?
C30 C29 C30 C26 31.2 72 . . . ?
C51 C29 C30 C26 -156.5(17) 72 . . . ?
C27 C29 C30 C26 -94.4(7) 72 . . . ?
C55 C29 C30 C26 -24.0(13) 72 . . . ?
C50 C29 C30 C26 -122(3) 72 . . . ?
C29 C29 C30 C51 -172.3(17) 72 . . 72 ?
C28 C29 C30 C51 121(2) 72 . . 72 ?
C52 C29 C30 C51 10.7(16) 72 . . 72 ?
C28 C29 C30 C51 156.5(17) . . . 72 ?
C54 C29 C30 C51 138(2) 72 . . 72 ?
C30 C29 C30 C51 -172.3(17) 72 . . 72 ?
C27 C29 C30 C51 62.1(17) 72 . . 72 ?
C55 C29 C30 C51 133(3) 72 . . 72 ?
C50 C29 C30 C51 34(3) 72 . . 72 ?
C28 C29 C30 C29 -66.7(17) 72 . . 72 ?
C52 C29 C30 C29 -177(3) 72 . . 72 ?
C28 C29 C30 C29 -31.2 . . . 72 ?
C54 C29 C30 C29 -49.9(10) 72 . . 72 ?
C30 C29 C30 C29 0.0 72 . . 72 ?
C51 C29 C30 C29 172.3(17) 72 . . 72 ?
C27 C29 C30 C29 -125.6(7) 72 . . 72 ?
C55 C29 C30 C29 -55.1(13) 72 . . 72 ?
C50 C29 C30 C29 -153(3) 72 . . 72 ?
C29 C29 C30 C54 49.9(10) 72 . . 72 ?
C28 C29 C30 C54 -16.8(18) 72 . . 72 ?
C52 C29 C30 C54 -127(3) 72 . . 72 ?
C28 C29 C30 C54 18.7(10) . . . 72 ?
C30 C29 C30 C54 49.9(10) 72 . . 72 ?
C51 C29 C30 C54 -138(2) 72 . . 72 ?
C27 C29 C30 C54 -75.7(10) 72 . . 72 ?
C55 C29 C30 C54 -5.2(13) 72 . . 72 ?
C50 C29 C30 C54 -103(3) 72 . . 72 ?
C29 C29 C30 C25 133.9(13) 72 . . 72 ?
C28 C29 C30 C25 67(2) 72 . . 72 ?
C52 C29 C30 C25 -43(3) 72 . . 72 ?
C28 C29 C30 C25 102.7(13) . . . 72 ?
C54 C29 C30 C25 84.0(13) 72 . . 72 ?
C30 C29 C30 C25 133.9(13) 72 . . 72 ?
C51 C29 C30 C25 -53.8(18) 72 . . 72 ?
C27 C29 C30 C25 8.4(9) 72 . . 72 ?
C55 C29 C30 C25 78.8(15) 72 . . 72 ?
C50 C29 C30 C25 -19(3) 72 . . 72 ?
C30 C30 C26 C55 106(2) 72 . . 72 ?
C50 C30 C26 C55 -89(3) 72 . . 72 ?
C26 C30 C26 C55 -74(2) 72 . . 72 ?
C29 C30 C26 C55 49(2) . . . 72 ?
C51 C30 C26 C55 -55(5) 72 . . 72 ?
C29 C30 C26 C55 69(2) 72 . . 72 ?
C54 C30 C26 C55 33.2(19) 72 . . 72 ?
C25 C30 C26 C55 -37(2) 72 . . 72 ?
C50 C30 C26 C30 165(2) 72 . . 72 ?
C26 C30 C26 C30 180.0 72 . . 72 ?
C55 C30 C26 C30 -106(2) 72 . . 72 ?
C29 C30 C26 C30 -57.5 . . . 72 ?
C51 C30 C26 C30 -161(5) 72 . . 72 ?
C29 C30 C26 C30 -37.3(3) 72 . . 72 ?
C54 C30 C26 C30 -73.1(8) 72 . . 72 ?
C25 C30 C26 C30 -143.2(7) 72 . . 72 ?
C30 C30 C26 C26 -180.0 72 . . 72 ?
C50 C30 C26 C26 -15(2) 72 . . 72 ?
C55 C30 C26 C26 74(2) 72 . . 72 ?
C29 C30 C26 C26 122.6 . . . 72 ?
C51 C30 C26 C26 19(5) 72 . . 72 ?
C29 C30 C26 C26 142.8(3) 72 . . 72 ?
C54 C30 C26 C26 106.9(8) 72 . . 72 ?
C25 C30 C26 C26 36.9(7) 72 . . 72 ?
C30 C30 C26 C25 57.5 72 . . . ?
C50 C30 C26 C25 -138(2) 72 . . . ?
C26 C30 C26 C25 -122.6 72 . . . ?
C55 C30 C26 C25 -49(2) 72 . . . ?
C29 C30 C26 C25 0.0 . . . . ?
C51 C30 C26 C25 -104(5) 72 . . . ?
C29 C30 C26 C25 20.2(3) 72 . . . ?
C54 C30 C26 C25 -15.7(8) 72 . . . ?
C25 C30 C26 C25 -85.7(7) 72 . . . ?
C30 C30 C26 C50 -165(2) 72 . . 72 ?
C26 C30 C26 C50 15(2) 72 . . 72 ?
C55 C30 C26 C50 89(3) 72 . . 72 ?
C29 C30 C26 C50 138(2) . . . 72 ?
C51 C30 C26 C50 34(6) 72 . . 72 ?
C29 C30 C26 C50 158(3) 72 . . 72 ?
C54 C30 C26 C50 122(2) 72 . . 72 ?
C25 C30 C26 C50 52(2) 72 . . 72 ?
C30 C30 C26 C24 -102.1(16) 72 . . . ?
C50 C30 C26 C24 63(2) 72 . . . ?
C26 C30 C26 C24 77.9(16) 72 . . . ?
C55 C30 C26 C24 152(3) 72 . . . ?
C29 C30 C26 C24 -159.6(16) . . . . ?
C51 C30 C26 C24 97(5) 72 . . . ?
C29 C30 C26 C24 -139.4(16) 72 . . . ?
C54 C30 C26 C24 -175.2(18) 72 . . . ?
C25 C30 C26 C24 114.7(15) 72 . . . ?
C30 C30 C26 C54 73.1(8) 72 . . 72 ?
C50 C30 C26 C54 -122(2) 72 . . 72 ?
C26 C30 C26 C54 -106.9(8) 72 . . 72 ?
C55 C30 C26 C54 -33.2(19) 72 . . 72 ?
C29 C30 C26 C54 15.7(8) . . . 72 ?
C51 C30 C26 C54 -88(5) 72 . . 72 ?
C29 C30 C26 C54 35.9(9) 72 . . 72 ?
C25 C30 C26 C54 -70.0(10) 72 . . 72 ?
C27 C25 C26 C55 -39.6(17) . . . 72 ?
C54 C25 C26 C55 -21.5(16) 72 . . 72 ?
C30 C25 C26 C55 -68(2) 72 . . 72 ?
C27 C25 C26 C30 28.3(14) . . . 72 ?
C55 C25 C26 C30 68(2) 72 . . 72 ?
C54 C25 C26 C30 46.4(17) 72 . . 72 ?
C27 C25 C26 C26 -44.6 . . . 72 ?
C55 C25 C26 C26 -4.9(17) 72 . . 72 ?
C54 C25 C26 C26 -26.4(9) 72 . . 72 ?
C30 C25 C26 C26 -72.8(14) 72 . . 72 ?
C27 C25 C26 C30 0.0 . . . . ?
C55 C25 C26 C30 39.6(17) 72 . . . ?
C54 C25 C26 C30 18.1(9) 72 . . . ?
C30 C25 C26 C30 -28.3(14) 72 . . . ?
C27 C25 C26 C50 -26.8(19) . . . 72 ?
C55 C25 C26 C50 12.8(12) 72 . . 72 ?
C54 C25 C26 C50 -9(2) 72 . . 72 ?
C30 C25 C26 C50 -55(2) 72 . . 72 ?
C27 C25 C26 C24 159.7(16) . . . . ?
C55 C25 C26 C24 -161(3) 72 . . . ?
C54 C25 C26 C24 177.8(19) 72 . . . ?
C30 C25 C26 C24 131(2) 72 . . . ?
C27 C25 C26 C54 -18.1(9) . . . 72 ?
C55 C25 C26 C54 21.5(16) 72 . . 72 ?
C30 C25 C26 C54 -46.4(17) 72 . . 72 ?
C30 C50 C51 C52 43.2(17) 72 . . . ?
C55 C50 C51 C52 -15.4(17) 72 . . . ?
C55 C50 C51 C52 0.0 . . . . ?
C26 C50 C51 C52 25(2) 72 . . . ?
C24 C50 C51 C52 -171(3) . . . . ?
C50 C50 C51 C52 41.9(12) 72 . . . ?
C29 C50 C51 C52 20.0(9) 72 . . . ?
C54 C50 C51 C52 -12.7(8) 72 . . . ?
C55 C50 C51 C30 -59(2) 72 . . 72 ?
C55 C50 C51 C30 -43.2(17) . . . 72 ?
C26 C50 C51 C30 -17.8(13) 72 . . 72 ?
C24 C50 C51 C30 146(4) . . . 72 ?
C50 C50 C51 C30 -1(2) 72 . . 72 ?
C29 C50 C51 C30 -23.2(16) 72 . . 72 ?
C54 C50 C51 C30 -55.9(19) 72 . . 72 ?
C30 C50 C51 C29 23.2(16) 72 . . 72 ?
C55 C50 C51 C29 -35.5(19) 72 . . 72 ?
C55 C50 C51 C29 -20.0(9) . . . 72 ?
C26 C50 C51 C29 5(2) 72 . . 72 ?
C24 C50 C51 C29 169(2) . . . 72 ?
C50 C50 C51 C29 21.9(13) 72 . . 72 ?
C54 C50 C51 C29 -32.7(10) 72 . . 72 ?
C30 C50 C51 C55 59(2) 72 . . 72 ?
C55 C50 C51 C55 15.4(16) . . . 72 ?
C26 C50 C51 C55 41(2) 72 . . 72 ?
C24 C50 C51 C55 -155(3) . . . 72 ?
C50 C50 C51 C55 57(2) 72 . . 72 ?
C29 C50 C51 C55 35.5(19) 72 . . 72 ?
C54 C50 C51 C55 2.7(13) 72 . . 72 ?
C30 C50 C51 C54 55.9(19) 72 . . 72 ?
C55 C50 C51 C54 -2.7(13) 72 . . 72 ?
C55 C50 C51 C54 12.7(8) . . . 72 ?
C26 C50 C51 C54 38(2) 72 . . 72 ?
C24 C50 C51 C54 -158(3) . . . 72 ?
C50 C50 C51 C54 54.6(10) 72 . . 72 ?
C29 C50 C51 C54 32.7(10) 72 . . 72 ?
C50 C51 C52 C29 -28.9(11) . . . 72 ?
C30 C51 C52 C29 -9.1(12) 72 . . 72 ?
C55 C51 C52 C29 -36.2(14) 72 . . 72 ?
C54 C51 C52 C29 -43.7(14) 72 . . 72 ?
C50 C51 C52 C28 -6.9(17) . . . . ?
C30 C51 C52 C28 13(2) 72 . . . ?
C29 C51 C52 C28 22.0(10) 72 . . . ?
C55 C51 C52 C28 -14.3(19) 72 . . . ?
C54 C51 C52 C28 -21.7(15) 72 . . . ?
C50 C51 C52 C54 14.8(11) . . . 72 ?
C30 C51 C52 C54 34.6(15) 72 . . 72 ?
C29 C51 C52 C54 43.7(14) 72 . . 72 ?
C55 C51 C52 C54 7.4(9) 72 . . 72 ?
C28 C28 C52 C29 -20(3) 72 . . 72 ?
C54 C28 C52 C29 67.5(15) 72 . . 72 ?
C54 C28 C52 C29 45(3) . . . 72 ?
C29 C28 C52 C29 -8.2(12) . . . 72 ?
C27 C28 C52 C29 109.0(14) . . . 72 ?
C7 C28 C52 C29 -135.7(12) 77_666 . . 72 ?
C27 C28 C52 C29 27(3) 72 . . 72 ?
C28 C28 C52 C51 -51(3) 72 . . . ?
C54 C28 C52 C51 37(2) 72 . . . ?
C29 C28 C52 C51 -30.7(14) 72 . . . ?
C54 C28 C52 C51 15(4) . . . . ?
C29 C28 C52 C51 -39(2) . . . . ?
C27 C28 C52 C51 78.3(19) . . . . ?
C7 C28 C52 C51 -166.4(14) 77_666 . . . ?
C27 C28 C52 C51 -4(4) 72 . . . ?
C28 C28 C52 C54 -88(2) 72 . . 72 ?
C29 C28 C52 C54 -67.5(15) 72 . . 72 ?
C54 C28 C52 C54 -22.3(19) . . . 72 ?
C29 C28 C52 C54 -75.8(12) . . . 72 ?
C27 C28 C52 C54 41.5(16) . . . 72 ?
C7 C28 C52 C54 156.7(19) 77_666 . . 72 ?
C27 C28 C52 C54 -41(2) 72 . . 72 ?
C28 C28 C54 C27 -13.2(13) 72 . . 72 ?
C54 C28 C54 C27 167(2) 72 . . 72 ?
C29 C28 C54 C27 -124(3) 72 . . 72 ?
C29 C28 C54 C27 -75(2) . . . 72 ?
C27 C28 C54 C27 157(2) . . . 72 ?
C52 C28 C54 C27 -158.5(18) . . . 72 ?
C7 C28 C54 C27 22(3) 77_666 . . 72 ?
C28 C28 C54 C54 180.0(12) 72 . . 72 ?
C29 C28 C54 C54 69.3(11) 72 . . 72 ?
C29 C28 C54 C54 118.7(10) . . . 72 ?
C27 C28 C54 C54 -9.3(9) . . . 72 ?
C52 C28 C54 C54 34.7(18) . . . 72 ?
C7 C28 C54 C54 -144.3(15) 77_666 . . 72 ?
C27 C28 C54 C54 -167(2) 72 . . 72 ?
C54 C28 C54 C28 -180.0(12) 72 . . 72 ?
C29 C28 C54 C28 -110.7(14) 72 . . 72 ?
C29 C28 C54 C28 -61.3(10) . . . 72 ?
C27 C28 C54 C28 170.7(9) . . . 72 ?
C52 C28 C54 C28 -145.3(16) . . . 72 ?
C7 C28 C54 C28 36(2) 77_666 . . 72 ?
C27 C28 C54 C28 13.2(13) 72 . . 72 ?
C28 C28 C54 C55 130(3) 72 . . . ?
C54 C28 C54 C55 -49.6(19) 72 . . . ?
C29 C28 C54 C55 20(2) 72 . . . ?
C29 C28 C54 C55 69.1(19) . . . . ?
C27 C28 C54 C55 -58.9(19) . . . . ?
C52 C28 C54 C55 -15(4) . . . . ?
C7 C28 C54 C55 166.1(14) 77_666 . . . ?
C27 C28 C54 C55 144(4) 72 . . . ?
C28 C28 C54 C25 55(4) 72 . . 72 ?
C54 C28 C54 C25 -125(4) 72 . . 72 ?
C29 C28 C54 C25 -56(5) 72 . . 72 ?
C29 C28 C54 C25 -7(4) . . . 72 ?
C27 C28 C54 C25 -135(4) . . . 72 ?
C52 C28 C54 C25 -90(5) . . . 72 ?
C7 C28 C54 C25 90(4) 77_666 . . 72 ?
C27 C28 C54 C25 68(5) 72 . . 72 ?
C28 C28 C54 C29 110.7(14) 72 . . 72 ?
C54 C28 C54 C29 -69.3(11) 72 . . 72 ?
C29 C28 C54 C29 49.4(13) . . . 72 ?
C27 C28 C54 C29 -78.6(9) . . . 72 ?
C52 C28 C54 C29 -35(2) . . . 72 ?
C7 C28 C54 C29 146.4(15) 77_666 . . 72 ?
C27 C28 C54 C29 124(3) 72 . . 72 ?
C28 C28 C54 C55 142(2) 72 . . 72 ?
C54 C28 C54 C55 -37.6(16) 72 . . 72 ?
C29 C28 C54 C55 31.7(17) 72 . . 72 ?
C29 C28 C54 C55 81.1(14) . . . 72 ?
C27 C28 C54 C55 -47.0(16) . . . 72 ?
C52 C28 C54 C55 -3(3) . . . 72 ?
C7 C28 C54 C55 178.1(12) 77_666 . . 72 ?
C27 C28 C54 C55 156(3) 72 . . 72 ?
C28 C28 C54 C52 24(2) 72 . . 72 ?
C54 C28 C54 C52 -155.6(13) 72 . . 72 ?
C29 C28 C54 C52 -86.3(14) 72 . . 72 ?
C29 C28 C54 C52 -37.0(14) . . . 72 ?
C27 C28 C54 C52 -165.0(14) . . . 72 ?
C52 C28 C54 C52 -121(3) . . . 72 ?
C7 C28 C54 C52 60.0(12) 77_666 . . 72 ?
C27 C28 C54 C52 38(3) 72 . . 72 ?
C28 C28 C54 C26 113(3) 72 . . 72 ?
C54 C28 C54 C26 -67(2) 72 . . 72 ?
C29 C28 C54 C26 2(2) 72 . . 72 ?
C29 C28 C54 C26 51.3(18) . . . 72 ?
C27 C28 C54 C26 -77(2) . . . 72 ?
C52 C28 C54 C26 -33(3) . . . 72 ?
C7 C28 C54 C26 148.3(15) 77_666 . . 72 ?
C27 C28 C54 C26 126(4) 72 . . 72 ?
C28 C28 C54 C30 119.8(17) 72 . . 72 ?
C54 C28 C54 C30 -60.2(10) 72 . . 72 ?
C29 C28 C54 C30 9.1(9) 72 . . 72 ?
C29 C28 C54 C30 58.5(11) . . . 72 ?
C27 C28 C54 C30 -69.5(9) . . . 72 ?
C52 C28 C54 C30 -25(2) . . . 72 ?
C7 C28 C54 C30 155.5(10) 77_666 . . 72 ?
C27 C28 C54 C30 133(3) 72 . . 72 ?
C27 C54 C55 C55 -179(2) 72 . . 72 ?
C54 C54 C55 C55 0.0 72 . . 72 ?
C28 C54 C55 C55 77(3) 72 . . 72 ?
C28 C54 C55 C55 37.1(18) . . . 72 ?
C25 C54 C55 C55 -169(2) 72 . . 72 ?
C29 C54 C55 C55 50.1(9) 72 . . 72 ?
C52 C54 C55 C55 133.8(13) 72 . . 72 ?
C26 C54 C55 C55 156(4) 72 . . 72 ?
C30 C54 C55 C55 55.4(12) 72 . . 72 ?
C27 C54 C55 C26 25(4) 72 . . 72 ?
C54 C54 C55 C26 -156(4) 72 . . 72 ?
C28 C54 C55 C26 -79(4) 72 . . 72 ?
C28 C54 C55 C26 -119(4) . . . 72 ?
C25 C54 C55 C26 35(3) 72 . . 72 ?
C29 C54 C55 C26 -106(4) 72 . . 72 ?
C55 C54 C55 C26 -156(4) 72 . . 72 ?
C52 C54 C55 C26 -22(4) 72 . . 72 ?
C30 C54 C55 C26 -101(4) 72 . . 72 ?
C27 C54 C55 C50 42(3) 72 . . 72 ?
C54 C54 C55 C50 -139(2) 72 . . 72 ?
C28 C54 C55 C50 -62(4) 72 . . 72 ?
C28 C54 C55 C50 -102(3) . . . 72 ?
C25 C54 C55 C50 52(2) 72 . . 72 ?
C29 C54 C55 C50 -89(2) 72 . . 72 ?
C55 C54 C55 C50 -139(2) 72 . . 72 ?
C52 C54 C55 C50 -5(2) 72 . . 72 ?
C26 C54 C55 C50 17(4) 72 . . 72 ?
C30 C54 C55 C50 -83.4(19) 72 . . 72 ?
C27 C54 C55 C30 125(3) 72 . . 72 ?
C54 C54 C55 C30 -55.4(12) 72 . . 72 ?
C28 C54 C55 C30 21(3) 72 . . 72 ?
C28 C54 C55 C30 -18(2) . . . 72 ?
C25 C54 C55 C30 135(2) 72 . . 72 ?
C29 C54 C55 C30 -5.3(13) 72 . . 72 ?
C55 C54 C55 C30 -55.4(12) 72 . . 72 ?
C52 C54 C55 C30 78.5(16) 72 . . 72 ?
C26 C54 C55 C30 101(4) 72 . . 72 ?
C27 C54 C55 C50 151(2) 72 . . . ?
C54 C54 C55 C50 -29.6 72 . . . ?
C28 C54 C55 C50 47(3) 72 . . . ?
C28 C54 C55 C50 7.5(18) . . . . ?
C25 C54 C55 C50 161(2) 72 . . . ?
C29 C54 C55 C50 20.5(9) 72 . . . ?
C55 C54 C55 C50 -29.6 72 . . . ?
C52 C54 C55 C50 104.3(13) 72 . . . ?
C26 C54 C55 C50 126(4) 72 . . . ?
C30 C54 C55 C50 25.8(12) 72 . . . ?
C27 C54 C55 C25 -10(2) 72 . . 72 ?
C54 C54 C55 C25 169(2) 72 . . 72 ?
C28 C54 C55 C25 -114(3) 72 . . 72 ?
C28 C54 C55 C25 -154(3) . . . 72 ?
C29 C54 C55 C25 -141(2) 72 . . 72 ?
C55 C54 C55 C25 169(2) 72 . . 72 ?
C52 C54 C55 C25 -57(2) 72 . . 72 ?
C26 C54 C55 C25 -35(3) 72 . . 72 ?
C30 C54 C55 C25 -135(2) 72 . . 72 ?
C27 C54 C55 C54 -179(2) 72 . . 72 ?
C28 C54 C55 C54 77(3) 72 . . 72 ?
C28 C54 C55 C54 37.1(18) . . . 72 ?
C25 C54 C55 C54 -169(2) 72 . . 72 ?
C29 C54 C55 C54 50.1(9) 72 . . 72 ?
C55 C54 C55 C54 0.0 72 . . 72 ?
C52 C54 C55 C54 133.8(13) 72 . . 72 ?
C26 C54 C55 C54 156(4) 72 . . 72 ?
C30 C54 C55 C54 55.4(12) 72 . . 72 ?
C27 C54 C55 C29 131(3) 72 . . 72 ?
C54 C54 C55 C29 -50.1(9) 72 . . 72 ?
C28 C54 C55 C29 27(2) 72 . . 72 ?
C28 C54 C55 C29 -13.0(13) . . . 72 ?
C25 C54 C55 C29 141(2) 72 . . 72 ?
C55 C54 C55 C29 -50.1(9) 72 . . 72 ?
C52 C54 C55 C29 83.7(8) 72 . . 72 ?
C26 C54 C55 C29 106(4) 72 . . 72 ?
C30 C54 C55 C29 5.3(13) 72 . . 72 ?
C27 C54 C55 C51 39(2) 72 . . 72 ?
C54 C54 C55 C51 -141.7(8) 72 . . 72 ?
C28 C54 C55 C51 -65(3) 72 . . 72 ?
C28 C54 C55 C51 -105(2) . . . 72 ?
C25 C54 C55 C51 49.0(19) 72 . . 72 ?
C29 C54 C55 C51 -91.6(9) 72 . . 72 ?
C55 C54 C55 C51 -141.7(8) 72 . . 72 ?
C52 C54 C55 C51 -7.9(10) 72 . . 72 ?
C26 C54 C55 C51 14(3) 72 . . 72 ?
C30 C54 C55 C51 -86.4(10) 72 . . 72 ?
C30 C50 C55 C55 -111.9(19) 72 . . 72 ?
C51 C50 C55 C55 -57.1 . . . 72 ?
C26 C50 C55 C55 160(3) 72 . . 72 ?
C24 C50 C55 C55 114(2) . . . 72 ?
C50 C50 C55 C55 180(100) 72 . . 72 ?
C29 C50 C55 C55 -74.6(8) 72 . . 72 ?
C54 C50 C55 C55 -40.8(6) 72 . . 72 ?
C30 C50 C55 C26 88(3) 72 . . 72 ?
C55 C50 C55 C26 -160(3) 72 . . 72 ?
C51 C50 C55 C26 143(3) . . . 72 ?
C24 C50 C55 C26 -46(2) . . . 72 ?
C50 C50 C55 C26 20(2) 72 . . 72 ?
C29 C50 C55 C26 126(3) 72 . . 72 ?
C54 C50 C55 C26 160(3) 72 . . 72 ?
C30 C50 C55 C50 68(2) 72 . . 72 ?
C55 C50 C55 C50 -180(100) 72 . . 72 ?
C51 C50 C55 C50 122.9(14) . . . 72 ?
C26 C50 C55 C50 -20(2) 72 . . 72 ?
C24 C50 C55 C50 -66(2) . . . 72 ?
C29 C50 C55 C50 105.4(13) 72 . . 72 ?
C54 C50 C55 C50 139.2(15) 72 . . 72 ?
C55 C50 C55 C30 111.9(19) 72 . . 72 ?
C51 C50 C55 C30 54.8(19) . . . 72 ?
C26 C50 C55 C30 -88(3) 72 . . 72 ?
C24 C50 C55 C30 -134(3) . . . 72 ?
C50 C50 C55 C30 -68(2) 72 . . 72 ?
C29 C50 C55 C30 37.3(16) 72 . . 72 ?
C54 C50 C55 C30 71.1(19) 72 . . 72 ?
C30 C50 C55 C54 -54.8(19) 72 . . . ?
C55 C50 C55 C54 57.1 72 . . . ?
C51 C50 C55 C54 0.0 . . . . ?
C26 C50 C55 C54 -143(3) 72 . . . ?
C24 C50 C55 C54 171(2) . . . . ?
C50 C50 C55 C54 -122.9(14) 72 . . . ?
C29 C50 C55 C54 -17.5(8) 72 . . . ?
C54 C50 C55 C54 16.3(6) 72 . . . ?
C30 C50 C55 C25 58(5) 72 . . 72 ?
C55 C50 C55 C25 170(5) 72 . . 72 ?
C51 C50 C55 C25 113(5) . . . 72 ?
C26 C50 C55 C25 -30(4) 72 . . 72 ?
C24 C50 C55 C25 -76(5) . . . 72 ?
C50 C50 C55 C25 -10(4) 72 . . 72 ?
C29 C50 C55 C25 96(4) 72 . . 72 ?
C54 C50 C55 C25 130(4) 72 . . 72 ?
C30 C50 C55 C54 -71.1(19) 72 . . 72 ?
C55 C50 C55 C54 40.8(6) 72 . . 72 ?
C51 C50 C55 C54 -16.3(6) . . . 72 ?
C26 C50 C55 C54 -160(3) 72 . . 72 ?
C24 C50 C55 C54 155(2) . . . 72 ?
C50 C50 C55 C54 -139.2(15) 72 . . 72 ?
C29 C50 C55 C54 -33.8(8) 72 . . 72 ?
C30 C50 C55 C29 -37.3(16) 72 . . 72 ?
C55 C50 C55 C29 74.6(8) 72 . . 72 ?
C51 C50 C55 C29 17.5(8) . . . 72 ?
C26 C50 C55 C29 -126(3) 72 . . 72 ?
C24 C50 C55 C29 -171(2) . . . 72 ?
C50 C50 C55 C29 -105.4(13) 72 . . 72 ?
C54 C50 C55 C29 33.8(8) 72 . . 72 ?
C30 C50 C55 C51 33.4(18) 72 . . 72 ?
C55 C50 C55 C51 145.4(5) 72 . . 72 ?
C51 C50 C55 C51 88.2(5) . . . 72 ?
C26 C50 C55 C51 -55(3) 72 . . 72 ?
C24 C50 C55 C51 -101(3) . . . 72 ?
C50 C50 C55 C51 -34.7(15) 72 . . 72 ?
C29 C50 C55 C51 70.7(8) 72 . . 72 ?
C54 C50 C55 C51 104.5(6) 72 . . 72 ?
C24 N3 C24 O14 127.4(17) 72 . . . ?
C5 N3 C24 O14 -58(3) . . . . ?
C24 N3 C24 C26 13(3) 72 . . . ?
C5 N3 C24 C26 -172.6(12) . . . . ?
C24 N3 C24 C50 -2(3) 72 . . . ?
C5 N3 C24 C50 172.9(15) . . . . ?
C24 N3 C24 O15 -125.1(16) 72 . . . ?
C5 N3 C24 O15 50(2) . . . . ?
C55 C26 C24 N3 25(7) 72 . . . ?
C30 C26 C24 N3 -85(3) 72 . . . ?
C26 C26 C24 N3 -7.6(18) 72 . . . ?
C30 C26 C24 N3 -46(2) . . . . ?
C25 C26 C24 N3 154.1(13) . . . . ?
C50 C26 C24 N3 -21(2) 72 . . . ?
C55 C26 C24 O14 -97(7) 72 . . . ?
C30 C26 C24 O14 154(3) 72 . . . ?
C26 C26 C24 O14 -129.3(17) 72 . . . ?
C30 C26 C24 O14 -167.6(15) . . . . ?
C25 C26 C24 O14 32(2) . . . . ?
C50 C26 C24 O14 -143(2) 72 . . . ?
C55 C26 C24 C50 146(10) 72 . . . ?
C30 C26 C24 C50 37(4) 72 . . . ?
C26 C26 C24 C50 114(5) 72 . . . ?
C30 C26 C24 C50 76(5) . . . . ?
C25 C26 C24 C50 -84(5) . . . . ?
C50 C26 C24 C50 100(6) 72 . . . ?
C55 C26 C24 O15 165(6) 72 . . . ?
C30 C26 C24 O15 55(3) 72 . . . ?
C26 C26 C24 O15 132.2(15) 72 . . . ?
C30 C26 C24 O15 93.9(18) . . . . ?
C25 C26 C24 O15 -66(2) . . . . ?
C50 C26 C24 O15 118.5(19) 72 . . . ?
C30 C50 C24 N3 -35(5) 72 . . . ?
C55 C50 C24 N3 53(4) 72 . . . ?
C51 C50 C24 N3 -155.4(17) . . . . ?
C55 C50 C24 N3 34(3) . . . . ?
C26 C50 C24 N3 14(2) 72 . . . ?
C50 C50 C24 N3 1.1(19) 72 . . . ?
C54 C50 C24 N3 82(5) 72 . . . ?
C30 C50 C24 O14 -166(4) 72 . . . ?
C55 C50 C24 O14 -79(4) 72 . . . ?
C51 C50 C24 O14 73(3) . . . . ?
C55 C50 C24 O14 -98(2) . . . . ?
C26 C50 C24 O14 -117(2) 72 . . . ?
C50 C50 C24 O14 -130.3(18) 72 . . . ?
C54 C50 C24 O14 -49(5) 72 . . . ?
C30 C50 C24 C26 -99(6) 72 . . . ?
C55 C50 C24 C26 -12(3) 72 . . . ?
C51 C50 C24 C26 140(6) . . . . ?
C55 C50 C24 C26 -31(4) . . . . ?
C26 C50 C24 C26 -50(4) 72 . . . ?
C50 C50 C24 C26 -63(5) 72 . . . ?
C54 C50 C24 C26 18(4) 72 . . . ?
C30 C50 C24 O15 98(5) 72 . . . ?
C55 C50 C24 O15 -175(3) 72 . . . ?
C51 C50 C24 O15 -23(2) . . . . ?
C55 C50 C24 O15 166.3(15) . . . . ?
C26 C50 C24 O15 146.8(17) 72 . . . ?
C50 C50 C24 O15 133.7(12) 72 . . . ?
C54 C50 C24 O15 -145(4) 72 . . . ?

_refine_diff_density_max         0.743
_refine_diff_density_min         -1.199
_refine_diff_density_rms         0.090




