# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_cu0604ll
_database_code_depnum_ccdc_archive 'CCDC 1034194'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H52 B40 Cu2 F6 N2 O8'
_chemical_formula_sum            'C24 H52 B40 Cu2 F6 N2 O8'
_chemical_formula_weight         1170.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
F F 0.0171 0.0103 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   22.1679(14)
_cell_length_b                   12.3675(8)
_cell_length_c                   22.2899(14)
_cell_angle_alpha                90
_cell_angle_beta                 101.8600(10)
_cell_angle_gamma                90
_cell_volume                     5980.6(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    6169
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      24.52

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_F_000             2344
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    0.772
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.897296
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   'SADABS v2.10 BRUKER 2001'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            81191
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.867
_diffrn_reflns_theta_max         28.320
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14808
_reflns_number_gt                9214
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_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)+(0.1096P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14808
_refine_ls_number_parameters     806
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0586
_refine_ls_wR_factor_ref         0.1907
_refine_ls_wR_factor_gt          0.1761
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.098
_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
Cu1 Cu 0.29263(2) 0.56726(3) 0.34696(2) 0.05676(13) Uani 1 1 d . . . . .
N1 N 0.37478(10) 0.63758(17) 0.32935(10) 0.0544(5) Uani 1 1 d . . . . .
O1 O 0.32816(10) 0.42260(17) 0.37149(11) 0.0778(6) Uani 1 1 d . . . . .
C1 C 0.30147(15) 0.3461(2) 0.38924(13) 0.0655(7) Uani 1 1 d . . . . .
F1 F 0.5636(11) 0.850(3) 0.3394(10) 0.240(13) Uani 0.508(15) 1 d . . P A 1
F2 F 0.5844(6) 0.7132(11) 0.2961(15) 0.189(8) Uani 0.508(15) 1 d . . P A 1
F3 F 0.5338(5) 0.8238(19) 0.2475(8) 0.174(6) Uani 0.508(15) 1 d . . P A 1
F1' F 0.5382(8) 0.8807(9) 0.2982(14) 0.185(8) Uani 0.492(15) 1 d . . P A 2
F2' F 0.5874(4) 0.7537(16) 0.3509(7) 0.147(4) Uani 0.492(15) 1 d . . P A 2
F3' F 0.5608(9) 0.735(3) 0.2569(10) 0.228(12) Uani 0.492(15) 1 d . . P A 2
B1 B 0.4122(2) 0.2389(5) 0.4058(4) 0.139(3) Uani 1 1 d . . . . .
H1 H 0.4389 0.3089 0.3952 0.167 Uiso 1 1 calc R U . . .
Cu2 Cu 0.19218(2) 0.46729(3) 0.37662(2) 0.05716(13) Uani 1 1 d . . . . .
N2 N 0.11202(11) 0.3967(2) 0.39880(11) 0.0627(6) Uani 1 1 d . . . . .
O2 O 0.24703(12) 0.3444(2) 0.39690(14) 0.1006(8) Uani 1 1 d . . . . .
C2 C 0.33814(15) 0.2443(3) 0.40461(14) 0.0717(8) Uani 1 1 d . . . . .
B2 B 0.4268(3) 0.1068(6) 0.3837(4) 0.153(3) Uani 1 1 d . . . . .
H2 H 0.4628 0.0868 0.3580 0.184 Uiso 1 1 calc R U . . .
O3 O 0.26011(12) 0.5078(2) 0.26556(9) 0.0902(7) Uani 1 1 d . . . . .
C3 C 0.3607(3) 0.1746(5) 0.3485(2) 0.1298(19) Uani 1 1 d D . . . .
H3A H 0.352(2) 0.204(4) 0.3045(12) 0.156 Uiso 1 1 d D U . . .
B3 B 0.3580(3) 0.0368(4) 0.3707(3) 0.119(2) Uani 1 1 d . . . . .
H3 H 0.3471 -0.0292 0.3372 0.143 Uiso 1 1 calc R U . . .
O4 O 0.17953(11) 0.4259(2) 0.28983(10) 0.0866(7) Uani 1 1 d . . . . .
C4 C 0.21450(15) 0.4489(2) 0.25527(13) 0.0642(7) Uani 1 1 d . . . . .
B4 B 0.3025(2) 0.1283(3) 0.3841(3) 0.1034(16) Uani 1 1 d . . . . .
H4 H 0.2545 0.1233 0.3587 0.124 Uiso 1 1 calc R U . . .
F4 F -0.0875(5) 0.2312(13) 0.4061(4) 0.128(4) Uani 0.508(15) 1 d . . P A 1
F5 F -0.0303(6) 0.170(2) 0.4837(9) 0.216(11) Uani 0.508(15) 1 d . . P A 1
F6 F -0.0712(13) 0.3313(19) 0.4829(17) 0.298(15) Uani 0.508(15) 1 d . . P A 1
F4' F -0.0496(12) 0.1580(14) 0.4459(19) 0.272(14) Uani 0.492(15) 1 d . . P A 2
F5' F -0.0510(5) 0.2792(14) 0.5014(4) 0.131(4) Uani 0.492(15) 1 d . . P A 2
F6' F -0.0942(6) 0.317(3) 0.4234(11) 0.251(12) Uani 0.492(15) 1 d . . P A 2
O5 O 0.23368(10) 0.68833(19) 0.32916(12) 0.0893(7) Uani 1 1 d . . . . .
C5 C 0.19843(14) 0.3988(3) 0.19119(13) 0.0683(8) Uani 1 1 d . . . . .
B5 B 0.3872(5) 0.2356(6) 0.4731(3) 0.181(4) Uani 1 1 d . . . . .
H5 H 0.3961 0.3009 0.5073 0.217 Uiso 1 1 calc R U . . .
O6 O 0.15254(10) 0.60623(18) 0.35302(11) 0.0789(6) Uani 1 1 d . . . . .
C6 C 0.2501(3) 0.4024(6) 0.1480(3) 0.147(2) Uani 1 1 d D . . . .
H6A H 0.2841(19) 0.451(4) 0.158(3) 0.177 Uiso 1 1 d D U . . .
O7 O 0.30970(10) 0.6103(2) 0.43339(9) 0.0803(6) Uani 1 1 d . . . . .
C7 C 0.17889(15) 0.6833(2) 0.33586(13) 0.0630(7) Uani 1 1 d . . . . .
O8 O 0.22816(12) 0.5292(2) 0.45784(10) 0.0976(8) Uani 1 1 d . . . . .
C8 C 0.14138(13) 0.7847(2) 0.32092(13) 0.0622(7) Uani 1 1 d . . . . .
C9 C 0.1778(2) 0.9023(4) 0.3366(3) 0.1294(19) Uani 1 1 d D . . . .
H9A H 0.2181(12) 0.875(4) 0.346(2) 0.155 Uiso 1 1 d D U . . .
C10 C 0.27665(15) 0.5830(2) 0.46946(13) 0.0663(7) Uani 1 1 d . . . . .
B9 B 0.4118(3) 0.0224(5) 0.4386(2) 0.124(2) Uani 1 1 d . . . . .
H9 H 0.4380 -0.0530 0.4498 0.149 Uiso 1 1 calc R U . . .
C11 C 0.29852(16) 0.6184(3) 0.53524(13) 0.0720(8) Uani 1 1 d . . . . .
B11 B 0.1869(4) 0.4814(5) 0.1318(2) 0.133(2) Uani 1 1 d . . . . .
H11 H 0.1889 0.5701 0.1360 0.160 Uiso 1 1 calc R U . . .
B12 B 0.2143(5) 0.4137(7) 0.0739(3) 0.166(3) Uani 1 1 d . . . . .
H12 H 0.2361 0.4548 0.0400 0.199 Uiso 1 1 calc R U . . .
C12 C 0.2547(4) 0.6012(8) 0.5828(2) 0.185(3) Uani 1 1 d D . . . .
H12A H 0.2144(14) 0.582(6) 0.567(3) 0.222 Uiso 1 1 d D U . . .
C13 C 0.40664(15) 0.5929(3) 0.29159(15) 0.0747(8) Uani 1 1 d . . . . .
H13A H 0.3918 0.5295 0.2714 0.090 Uiso 1 1 calc R U . . .
B13 B 0.2386(3) 0.2842(5) 0.1030(3) 0.120(2) Uani 1 1 d . . . . .
H13 H 0.2756 0.2383 0.0883 0.144 Uiso 1 1 calc R U . . .
C14 C 0.46018(16) 0.6354(3) 0.28086(17) 0.0835(10) Uani 1 1 d . . . . .
H14A H 0.4807 0.6024 0.2533 0.100 Uiso 1 1 calc R U . . .
B14 B 0.2302(3) 0.2782(4) 0.1784(2) 0.1108(18) Uani 1 1 d . . . . .
H14 H 0.2615 0.2304 0.2132 0.133 Uiso 1 1 calc R U . . .
C15 C 0.48337(14) 0.7274(3) 0.31136(14) 0.0723(8) Uani 1 1 d . . . . .
B15 B 0.1291(3) 0.4104(8) 0.1505(3) 0.154(3) Uani 1 1 d . . . . .
H15 H 0.0918 0.4511 0.1676 0.185 Uiso 1 1 calc R U . . .
C16 C 0.45028(17) 0.7750(3) 0.34885(17) 0.0853(10) Uani 1 1 d . . . . .
H16A H 0.4637 0.8395 0.3686 0.102 Uiso 1 1 calc R U . . .
B16 B 0.1352(4) 0.4213(8) 0.0745(3) 0.167(4) Uani 1 1 d . . . . .
H16 H 0.1026 0.4683 0.0404 0.201 Uiso 1 1 calc R U . . .
C17 C 0.39744(15) 0.7279(3) 0.35751(15) 0.0729(8) Uani 1 1 d . . . . .
H17A H 0.3761 0.7605 0.3845 0.087 Uiso 1 1 calc R U . . .
B17 B 0.1675(3) 0.3050(6) 0.0556(2) 0.140(2) Uani 1 1 d . . . . .
H17 H 0.1570 0.2761 0.0079 0.167 Uiso 1 1 calc R U . . .
C18 C 0.5421(2) 0.7778(5) 0.3012(3) 0.1119(15) Uani 1 1 d . . . . .
B18 B 0.1771(4) 0.2212(6) 0.1205(3) 0.139(2) Uani 1 1 d . . . . .
H18 H 0.1725 0.1329 0.1163 0.167 Uiso 1 1 calc R U . . .
C19 C 0.0780(3) 0.4509(5) 0.4278(3) 0.205(4) Uani 1 1 d . . . . .
H19A H 0.0894 0.5218 0.4385 0.246 Uiso 1 1 calc R U . . .
B19 B 0.1535(3) 0.2929(5) 0.1783(3) 0.119(2) Uani 1 1 d . . . . .
H19 H 0.1333 0.2553 0.2143 0.143 Uiso 1 1 calc R U . . .
C20 C 0.0257(3) 0.4114(6) 0.4443(4) 0.234(5) Uani 1 1 d . . . . .
H20A H 0.0018 0.4558 0.4638 0.281 Uiso 1 1 calc R U . . .
B20 B 0.1147(3) 0.2980(10) 0.1038(4) 0.194(5) Uani 1 1 d . . . . .
H20 H 0.0690 0.2608 0.0888 0.233 Uiso 1 1 calc R U . . .
C21 C 0.00969(17) 0.3077(4) 0.43186(17) 0.0885(11) Uani 1 1 d . . . . .
B21 B 0.1261(2) 0.8592(4) 0.38073(19) 0.0857(12) Uani 1 1 d . . . . .
H21 H 0.1392 0.8359 0.4293 0.103 Uiso 1 1 calc R U . . .
C22 C 0.04211(18) 0.2531(3) 0.39967(19) 0.0928(11) Uani 1 1 d . . . . .
H22A H 0.0305 0.1832 0.3868 0.111 Uiso 1 1 calc R U . . .
B22 B 0.1281(2) 0.9951(4) 0.3540(3) 0.1040(16) Uani 1 1 d . . . . .
H22 H 0.1423 1.0627 0.3859 0.125 Uiso 1 1 calc R U . . .
C23 C 0.09412(15) 0.2996(3) 0.38460(16) 0.0774(9) Uani 1 1 d . . . . .
H23A H 0.1173 0.2580 0.3629 0.093 Uiso 1 1 calc R U . . .
B23 B 0.1477(3) 0.9936(5) 0.2831(3) 0.132(2) Uani 1 1 d . . . . .
H23 H 0.1749 1.0588 0.2681 0.158 Uiso 1 1 calc R U . . .
C24 C -0.0451(3) 0.2588(7) 0.4503(3) 0.128(2) Uani 1 1 d . . . . .
B24 B 0.1551(3) 0.8606(4) 0.2644(2) 0.1063(17) Uani 1 1 d . . . . .
H24 H 0.1886 0.8374 0.2365 0.128 Uiso 1 1 calc R U . . .
B25 B 0.0667(2) 0.7934(4) 0.3285(3) 0.1018(15) Uani 1 1 d . . . . .
H25 H 0.0404 0.7266 0.3433 0.122 Uiso 1 1 calc R U . . .
B26 B 0.0573(3) 0.9279(4) 0.3495(3) 0.1088(16) Uani 1 1 d . . . . .
H26 H 0.0251 0.9512 0.3788 0.131 Uiso 1 1 calc R U . . .
B27 B 0.0693(3) 1.0095(4) 0.2890(3) 0.1194(19) Uani 1 1 d . . . . .
H27 H 0.0443 1.0860 0.2776 0.143 Uiso 1 1 calc R U . . .
B28 B 0.0874(4) 0.9253(5) 0.2329(3) 0.151(3) Uani 1 1 d . . . . .
H28 H 0.0743 0.9468 0.1841 0.181 Uiso 1 1 calc R U . . .
B29 B 0.0877(3) 0.7933(4) 0.2563(2) 0.128(2) Uani 1 1 d . . . . .
H29 H 0.0761 0.7264 0.2234 0.153 Uiso 1 1 calc R U . . .
B30 B 0.0311(3) 0.8846(5) 0.2733(3) 0.140(3) Uani 1 1 d . . . . .
H30 H -0.0182 0.8786 0.2523 0.168 Uiso 1 1 calc R U . . .
B31 B 0.3140(6) 0.5229(4) 0.5856(2) 0.181(5) Uani 1 1 d . . . . .
H31 H 0.3103 0.4366 0.5735 0.217 Uiso 1 1 calc R U . . .
B32 B 0.2969(6) 0.5680(7) 0.6532(3) 0.202(5) Uani 1 1 d . . . . .
H32 H 0.2816 0.5123 0.6855 0.242 Uiso 1 1 calc R U . . .
B33 B 0.2673(4) 0.7037(8) 0.6367(3) 0.164(3) Uani 1 1 d . . . . .
H33 H 0.2316 0.7401 0.6580 0.197 Uiso 1 1 calc R U . . .
B34 B 0.2683(4) 0.7296(6) 0.5603(3) 0.144(3) Uani 1 1 d . . . . .
H34 H 0.2341 0.7810 0.5306 0.173 Uiso 1 1 calc R U . . .
B35 B 0.3715(3) 0.6096(10) 0.5682(3) 0.180(4) Uani 1 1 d . . . . .
H35 H 0.4078 0.5813 0.5449 0.216 Uiso 1 1 calc R U . . .
B36 B 0.3715(5) 0.5769(8) 0.6447(3) 0.186(4) Uani 1 1 d . . . . .
H36 H 0.4083 0.5265 0.6715 0.224 Uiso 1 1 calc R U . . .
B37 B 0.3403(3) 0.6783(6) 0.6781(2) 0.131(2) Uani 1 1 d . . . . .
H37 H 0.3543 0.6923 0.7278 0.158 Uiso 1 1 calc R U . . .
B38 B 0.3221(4) 0.7786(6) 0.6212(3) 0.141(2) Uani 1 1 d . . . . .
H38 H 0.3244 0.8645 0.6341 0.169 Uiso 1 1 calc R U . . .
B6 B 0.3194(4) 0.1648(5) 0.4568(3) 0.145(3) Uani 1 1 d . . . . .
H6 H 0.2818 0.1846 0.4803 0.174 Uiso 1 1 calc R U . . .
B39 B 0.3400(4) 0.7300(6) 0.5541(3) 0.130(2) Uani 1 1 d . . . . .
H39 H 0.3542 0.7823 0.5195 0.156 Uiso 1 1 calc R U . . .
B7 B 0.3333(4) 0.0345(5) 0.4399(4) 0.166(4) Uani 1 1 d . . . . .
H7 H 0.3069 -0.0340 0.4527 0.200 Uiso 1 1 calc R U . . .
B10 B 0.3851(6) 0.1018(7) 0.4940(3) 0.204(5) Uani 1 1 d . . . . .
H10 H 0.3929 0.0781 0.5425 0.244 Uiso 1 1 calc R U . . .
B40 B 0.3852(4) 0.7121(9) 0.6243(3) 0.167(4) Uani 1 1 d . . . . .
H40 H 0.4296 0.7543 0.6382 0.201 Uiso 1 1 calc R U . . .
B8 B 0.4440(4) 0.1481(7) 0.4600(5) 0.208(5) Uani 1 1 d . . . . .
H8 H 0.4918 0.1559 0.4857 0.250 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O3 1.953(2) . ?
Cu1 O7 1.959(2) . ?
Cu1 O5 1.973(2) . ?
Cu1 O1 1.986(2) . ?
Cu1 N1 2.126(2) . ?
Cu1 Cu2 2.7439(5) . ?
N1 C13 1.326(3) . ?
N1 C17 1.328(4) . ?
O1 C1 1.224(4) . ?
C1 O2 1.253(4) . ?
C1 C2 1.500(4) . ?
F1 C18 1.256(12) . ?
F2 C18 1.255(13) . ?
F3 C18 1.304(11) . ?
F1' C18 1.276(11) . ?
F2' C18 1.367(12) . ?
F3' C18 1.266(12) . ?
B1 C2 1.639(6) . ?
B1 B8 1.694(11) . ?
B1 B5 1.705(11) . ?
B1 C3 1.724(8) . ?
B1 B2 1.756(9) . ?
B1 H1 1.1000 . ?
Cu2 O2 1.941(2) . ?
Cu2 O6 1.952(2) . ?
Cu2 O4 1.965(2) . ?
Cu2 O8 1.977(2) . ?
Cu2 N2 2.127(2) . ?
N2 C19 1.279(5) . ?
N2 C23 1.284(4) . ?
C2 B6 1.640(6) . ?
C2 B4 1.655(6) . ?
C2 C3 1.678(5) . ?
C2 B5 1.685(6) . ?
B2 B9 1.694(10) . ?
B2 B3 1.727(10) . ?
B2 C3 1.731(7) . ?
B2 B8 1.743(12) . ?
B2 H2 1.1000 . ?
O3 C4 1.228(4) . ?
C3 B4 1.744(7) . ?
C3 B3 1.779(8) . ?
C3 H3A 1.026(19) . ?
B3 B9 1.733(7) . ?
B3 B7 1.738(9) . ?
B3 B4 1.740(7) . ?
B3 H3 1.1000 . ?
O4 C4 1.233(4) . ?
C4 C5 1.531(4) . ?
B4 B6 1.649(9) . ?
B4 B7 1.734(8) . ?
B4 H4 1.1000 . ?
F4 C24 1.262(11) . ?
F5 C24 1.327(18) . ?
F6 C24 1.357(16) . ?
F4' C24 1.252(16) . ?
F5' C24 1.199(12) . ?
F6' C24 1.34(2) . ?
O5 C7 1.255(4) . ?
C5 B15 1.623(6) . ?
C5 B19 1.634(6) . ?
C5 C6 1.641(6) . ?
C5 B11 1.650(6) . ?
C5 B14 1.698(5) . ?
B5 B6 1.712(11) . ?
B5 B10 1.722(13) . ?
B5 B8 1.731(12) . ?
B5 H5 1.1000 . ?
O6 C7 1.219(4) . ?
C6 B12 1.684(9) . ?
C6 B11 1.684(9) . ?
C6 B13 1.761(8) . ?
C6 B14 1.771(9) . ?
C6 H6A 0.950(19) . ?
O7 C10 1.241(3) . ?
C7 C8 1.504(4) . ?
O8 C10 1.245(4) . ?
C8 B24 1.648(5) . ?
C8 C9 1.664(5) . ?
C8 B29 1.672(5) . ?
C8 B25 1.702(6) . ?
C8 B21 1.711(4) . ?
C9 B24 1.665(8) . ?
C9 B23 1.677(8) . ?
C9 B22 1.691(6) . ?
C9 B21 1.740(7) . ?
C9 H9A 0.939(19) . ?
C10 C11 1.511(4) . ?
B9 B8 1.737(10) . ?
B9 B7 1.753(10) . ?
B9 B10 1.772(10) . ?
B9 H9 1.1000 . ?
C11 C12 1.592(6) . ?
C11 B31 1.618(6) . ?
C11 B35 1.636(7) . ?
C11 B39 1.664(6) . ?
C11 B34 1.675(6) . ?
B11 B15 1.677(10) . ?
B11 B16 1.703(11) . ?
B11 B12 1.750(8) . ?
B11 H11 1.1000 . ?
B12 B17 1.696(11) . ?
B12 B16 1.760(12) . ?
B12 B13 1.770(10) . ?
B12 H12 1.1000 . ?
C12 B31 1.623(12) . ?
C12 B32 1.704(11) . ?
C12 B34 1.711(11) . ?
C12 B33 1.728(10) . ?
C12 H12A 0.92(2) . ?
C13 C14 1.363(4) . ?
C13 H13A 0.9300 . ?
B13 B18 1.684(9) . ?
B13 B17 1.727(8) . ?
B13 B14 1.731(7) . ?
B13 H13 1.1000 . ?
C14 C15 1.370(5) . ?
C14 H14A 0.9300 . ?
B14 B19 1.709(8) . ?
B14 B18 1.709(8) . ?
B14 H14 1.1000 . ?
C15 C16 1.355(4) . ?
C15 C18 1.501(5) . ?
B15 B19 1.627(10) . ?
B15 B20 1.727(11) . ?
B15 B16 1.734(9) . ?
B15 H15 1.1000 . ?
C16 C17 1.357(4) . ?
C16 H16A 0.9300 . ?
B16 B17 1.698(9) . ?
B16 B20 1.756(13) . ?
B16 H16 1.1000 . ?
C17 H17A 0.9300 . ?
B17 B20 1.746(11) . ?
B17 B18 1.756(10) . ?
B17 H17 1.1000 . ?
B18 B20 1.656(11) . ?
B18 B19 1.730(7) . ?
B18 H18 1.1000 . ?
C19 C20 1.375(6) . ?
C19 H19A 0.9300 . ?
B19 B20 1.706(10) . ?
B19 H19 1.1000 . ?
C20 C21 1.345(6) . ?
C20 H20A 0.9300 . ?
B20 H20 1.1000 . ?
C21 C22 1.303(5) . ?
C21 C24 1.488(6) . ?
B21 B26 1.758(6) . ?
B21 B25 1.767(7) . ?
B21 B22 1.787(7) . ?
B21 H21 1.1000 . ?
C22 C23 1.390(5) . ?
C22 H22A 0.9300 . ?
B22 B23 1.723(8) . ?
B22 B27 1.748(7) . ?
B22 B26 1.759(8) . ?
B22 H22 1.1000 . ?
C23 H23A 0.9300 . ?
B23 B24 1.713(8) . ?
B23 B28 1.771(10) . ?
B23 B27 1.781(9) . ?
B23 H23 1.1000 . ?
B24 B29 1.687(8) . ?
B24 B28 1.719(9) . ?
B24 H24 1.1000 . ?
B25 B30 1.735(8) . ?
B25 B26 1.751(7) . ?
B25 B29 1.765(8) . ?
B25 H25 1.1000 . ?
B26 B27 1.747(8) . ?
B26 B30 1.761(8) . ?
B26 H26 1.1000 . ?
B27 B28 1.736(8) . ?
B27 B30 1.760(9) . ?
B27 H27 1.1000 . ?
B28 B29 1.714(9) . ?
B28 B30 1.755(10) . ?
B28 H28 1.1000 . ?
B29 B30 1.786(8) . ?
B29 H29 1.1000 . ?
B30 H30 1.1000 . ?
B31 B32 1.721(11) . ?
B31 B36 1.765(11) . ?
B31 B35 1.769(12) . ?
B31 H31 1.1000 . ?
B32 B37 1.694(9) . ?
B32 B36 1.706(13) . ?
B32 B33 1.811(13) . ?
B32 H32 1.1000 . ?
B33 B38 1.621(11) . ?
B33 B37 1.719(11) . ?
B33 B34 1.737(9) . ?
B33 H33 1.1000 . ?
B34 B39 1.623(10) . ?
B34 B38 1.723(10) . ?
B34 H34 1.1000 . ?
B35 B39 1.648(11) . ?
B35 B36 1.753(11) . ?
B35 B40 1.764(11) . ?
B35 H35 1.1000 . ?
B36 B37 1.678(10) . ?
B36 B40 1.775(12) . ?
B36 H36 1.1000 . ?
B37 B40 1.758(10) . ?
B37 B38 1.761(10) . ?
B37 H37 1.1000 . ?
B38 B40 1.611(11) . ?
B38 B39 1.731(8) . ?
B38 H38 1.1000 . ?
B6 B7 1.697(9) . ?
B6 B10 1.709(11) . ?
B6 H6 1.1000 . ?
B39 B40 1.692(10) . ?
B39 H39 1.1000 . ?
B7 B10 1.703(13) . ?
B7 H7 1.1000 . ?
B10 B8 1.735(14) . ?
B10 H10 1.1000 . ?
B40 H40 1.1000 . ?
B8 H8 1.1000 . ?

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
O3 Cu1 O7 167.32(10) . . ?
O3 Cu1 O5 89.79(12) . . ?
O7 Cu1 O5 88.71(11) . . ?
O3 Cu1 O1 88.06(11) . . ?
O7 Cu1 O1 89.35(11) . . ?
O5 Cu1 O1 161.41(9) . . ?
O3 Cu1 N1 98.58(9) . . ?
O7 Cu1 N1 94.05(9) . . ?
O5 Cu1 N1 102.09(9) . . ?
O1 Cu1 N1 96.49(9) . . ?
O3 Cu1 Cu2 83.75(7) . . ?
O7 Cu1 Cu2 83.57(6) . . ?
O5 Cu1 Cu2 81.59(7) . . ?
O1 Cu1 Cu2 79.83(6) . . ?
N1 Cu1 Cu2 175.60(6) . . ?
C13 N1 C17 116.8(2) . . ?
C13 N1 Cu1 122.34(19) . . ?
C17 N1 Cu1 120.78(18) . . ?
C1 O1 Cu1 126.5(2) . . ?
O1 C1 O2 126.8(3) . . ?
O1 C1 C2 116.6(3) . . ?
O2 C1 C2 116.6(3) . . ?
C2 B1 B8 107.8(6) . . ?
C2 B1 B5 60.5(4) . . ?
B8 B1 B5 61.2(6) . . ?
C2 B1 C3 59.8(3) . . ?
B8 B1 C3 109.8(5) . . ?
B5 B1 C3 110.8(5) . . ?
C2 B1 B2 106.0(4) . . ?
B8 B1 B2 60.7(4) . . ?
B5 B1 B2 109.7(5) . . ?
C3 B1 B2 59.7(4) . . ?
C2 B1 H1 123.1 . . ?
B8 B1 H1 120.8 . . ?
B5 B1 H1 119.6 . . ?
C3 B1 H1 120.5 . . ?
B2 B1 H1 122.2 . . ?
O2 Cu2 O6 167.88(10) . . ?
O2 Cu2 O4 88.92(12) . . ?
O6 Cu2 O4 89.95(11) . . ?
O2 Cu2 O8 88.53(13) . . ?
O6 Cu2 O8 88.86(12) . . ?
O4 Cu2 O8 162.16(10) . . ?
O2 Cu2 N2 97.93(10) . . ?
O6 Cu2 N2 94.16(9) . . ?
O4 Cu2 N2 99.49(9) . . ?
O8 Cu2 N2 98.35(9) . . ?
O2 Cu2 Cu1 84.74(7) . . ?
O6 Cu2 Cu1 83.17(6) . . ?
O4 Cu2 Cu1 80.73(7) . . ?
O8 Cu2 Cu1 81.45(7) . . ?
N2 Cu2 Cu1 177.32(7) . . ?
C19 N2 C23 115.5(3) . . ?
C19 N2 Cu2 120.7(2) . . ?
C23 N2 Cu2 123.8(2) . . ?
C1 O2 Cu2 122.0(2) . . ?
C1 C2 B1 122.1(3) . . ?
C1 C2 B6 117.4(3) . . ?
B1 C2 B6 111.3(4) . . ?
C1 C2 B4 117.3(3) . . ?
B1 C2 B4 112.9(3) . . ?
B6 C2 B4 60.0(4) . . ?
C1 C2 C3 119.4(3) . . ?
B1 C2 C3 62.6(3) . . ?
B6 C2 C3 112.3(4) . . ?
B4 C2 C3 63.1(3) . . ?
C1 C2 B5 118.6(3) . . ?
B1 C2 B5 61.7(4) . . ?
B6 C2 B5 62.0(4) . . ?
B4 C2 B5 112.2(4) . . ?
C3 C2 B5 114.0(4) . . ?
B9 B2 B3 60.8(4) . . ?
B9 B2 C3 110.6(5) . . ?
B3 B2 C3 61.9(4) . . ?
B9 B2 B8 60.7(5) . . ?
B3 B2 B8 108.6(6) . . ?
C3 B2 B8 107.2(4) . . ?
B9 B2 B1 107.2(5) . . ?
B3 B2 B1 107.8(4) . . ?
C3 B2 B1 59.3(3) . . ?
B8 B2 B1 57.9(4) . . ?
B9 B2 H2 120.5 . . ?
B3 B2 H2 120.7 . . ?
C3 B2 H2 120.7 . . ?
B8 B2 H2 122.5 . . ?
B1 B2 H2 123.4 . . ?
C4 O3 Cu1 121.9(2) . . ?
C2 C3 B1 57.6(3) . . ?
C2 C3 B2 105.4(4) . . ?
B1 C3 B2 61.1(4) . . ?
C2 C3 B4 57.8(2) . . ?
B1 C3 B4 104.7(4) . . ?
B2 C3 B4 105.7(4) . . ?
C2 C3 B3 104.6(3) . . ?
B1 C3 B3 106.9(4) . . ?
B2 C3 B3 58.9(3) . . ?
B4 C3 B3 59.2(3) . . ?
C2 C3 H3A 120(3) . . ?
B1 C3 H3A 121(3) . . ?
B2 C3 H3A 126(3) . . ?
B4 C3 H3A 122(3) . . ?
B3 C3 H3A 127(3) . . ?
B2 B3 B9 58.6(4) . . ?
B2 B3 B7 106.8(5) . . ?
B9 B3 B7 60.7(4) . . ?
B2 B3 B4 106.0(4) . . ?
B9 B3 B4 107.5(4) . . ?
B7 B3 B4 59.8(3) . . ?
B2 B3 C3 59.1(3) . . ?
B9 B3 C3 106.6(4) . . ?
B7 B3 C3 107.3(4) . . ?
B4 B3 C3 59.4(3) . . ?
B2 B3 H3 123.3 . . ?
B9 B3 H3 122.1 . . ?
B7 B3 H3 121.7 . . ?
B4 B3 H3 122.4 . . ?
C3 B3 H3 122.5 . . ?
C4 O4 Cu2 125.0(2) . . ?
O3 C4 O4 128.3(3) . . ?
O3 C4 C5 116.0(3) . . ?
O4 C4 C5 115.7(3) . . ?
B6 B4 C2 59.5(3) . . ?
B6 B4 B7 60.2(4) . . ?
C2 B4 B7 106.7(5) . . ?
B6 B4 B3 108.7(4) . . ?
C2 B4 B3 107.3(4) . . ?
B7 B4 B3 60.0(3) . . ?
B6 B4 C3 108.5(5) . . ?
C2 B4 C3 59.1(3) . . ?
B7 B4 C3 109.1(4) . . ?
B3 B4 C3 61.4(3) . . ?
B6 B4 H4 121.4 . . ?
C2 B4 H4 123.2 . . ?
B7 B4 H4 121.8 . . ?
B3 B4 H4 121.2 . . ?
C3 B4 H4 120.9 . . ?
C7 O5 Cu1 123.7(2) . . ?
C4 C5 B15 119.8(3) . . ?
C4 C5 B19 120.4(3) . . ?
B15 C5 B19 59.9(4) . . ?
C4 C5 C6 118.7(3) . . ?
B15 C5 C6 111.4(4) . . ?
B19 C5 C6 113.0(3) . . ?
C4 C5 B11 117.7(3) . . ?
B15 C5 B11 61.7(4) . . ?
B19 C5 B11 111.5(4) . . ?
C6 C5 B11 61.6(4) . . ?
C4 C5 B14 119.2(3) . . ?
B15 C5 B14 111.2(4) . . ?
B19 C5 B14 61.7(3) . . ?
C6 C5 B14 64.0(3) . . ?
B11 C5 B14 114.2(3) . . ?
C2 B5 B1 57.8(3) . . ?
C2 B5 B6 57.7(3) . . ?
B1 B5 B6 104.8(4) . . ?
C2 B5 B10 104.9(5) . . ?
B1 B5 B10 107.0(5) . . ?
B6 B5 B10 59.7(6) . . ?
C2 B5 B8 104.1(5) . . ?
B1 B5 B8 59.1(6) . . ?
B6 B5 B8 106.4(5) . . ?
B10 B5 B8 60.3(5) . . ?
C2 B5 H5 124.9 . . ?
B1 B5 H5 123.2 . . ?
B6 B5 H5 123.3 . . ?
B10 B5 H5 122.0 . . ?
B8 B5 H5 122.8 . . ?
C7 O6 Cu2 123.7(2) . . ?
C5 C6 B12 109.5(5) . . ?
C5 C6 B11 59.5(3) . . ?
B12 C6 B11 62.6(4) . . ?
C5 C6 B13 106.0(4) . . ?
B12 C6 B13 61.8(4) . . ?
B11 C6 B13 110.1(4) . . ?
C5 C6 B14 59.5(3) . . ?
B12 C6 B14 110.1(4) . . ?
B11 C6 B14 108.9(4) . . ?
B13 C6 B14 58.7(3) . . ?
C5 C6 H6A 120(4) . . ?
B12 C6 H6A 111(4) . . ?
B11 C6 H6A 106(4) . . ?
B13 C6 H6A 132(4) . . ?
B14 C6 H6A 135(4) . . ?
C10 O7 Cu1 122.9(2) . . ?
O6 C7 O5 127.9(3) . . ?
O6 C7 C8 116.3(3) . . ?
O5 C7 C8 115.9(3) . . ?
C10 O8 Cu2 124.5(2) . . ?
C7 C8 B24 117.6(3) . . ?
C7 C8 C9 117.4(3) . . ?
B24 C8 C9 60.3(3) . . ?
C7 C8 B29 120.4(3) . . ?
B24 C8 B29 61.1(3) . . ?
C9 C8 B29 110.7(3) . . ?
C7 C8 B25 122.3(3) . . ?
B24 C8 B25 112.1(3) . . ?
C9 C8 B25 111.3(3) . . ?
B29 C8 B25 63.1(3) . . ?
C7 C8 B21 117.8(3) . . ?
B24 C8 B21 112.7(3) . . ?
C9 C8 B21 62.0(3) . . ?
B29 C8 B21 114.6(3) . . ?
B25 C8 B21 62.3(3) . . ?
C8 C9 B24 59.3(3) . . ?
C8 C9 B23 109.5(5) . . ?
B24 C9 B23 61.7(4) . . ?
C8 C9 B22 109.3(3) . . ?
B24 C9 B22 110.6(4) . . ?
B23 C9 B22 61.5(3) . . ?
C8 C9 B21 60.3(2) . . ?
B24 C9 B21 110.4(4) . . ?
B23 C9 B21 113.3(4) . . ?
B22 C9 B21 62.7(3) . . ?
C8 C9 H9A 98(3) . . ?
B24 C9 H9A 101(3) . . ?
B23 C9 H9A 128(3) . . ?
B22 C9 H9A 146(3) . . ?
B21 C9 H9A 118(3) . . ?
O7 C10 O8 127.6(3) . . ?
O7 C10 C11 115.8(3) . . ?
O8 C10 C11 116.6(3) . . ?
B2 B9 B3 60.5(4) . . ?
B2 B9 B8 61.0(5) . . ?
B3 B9 B8 108.6(4) . . ?
B2 B9 B7 107.6(4) . . ?
B3 B9 B7 59.8(4) . . ?
B8 B9 B7 105.8(5) . . ?
B2 B9 B10 107.8(5) . . ?
B3 B9 B10 106.4(4) . . ?
B8 B9 B10 59.3(5) . . ?
B7 B9 B10 57.8(5) . . ?
B2 B9 H9 120.9 . . ?
B3 B9 H9 121.6 . . ?
B8 B9 H9 121.9 . . ?
B7 B9 H9 123.3 . . ?
B10 B9 H9 123.2 . . ?
C10 C11 C12 119.3(3) . . ?
C10 C11 B31 116.2(3) . . ?
C12 C11 B31 60.7(5) . . ?
C10 C11 B35 120.4(3) . . ?
C12 C11 B35 111.9(4) . . ?
B31 C11 B35 65.9(5) . . ?
C10 C11 B39 122.4(3) . . ?
C12 C11 B39 108.9(4) . . ?
B31 C11 B39 113.8(4) . . ?
B35 C11 B39 59.9(4) . . ?
C10 C11 B34 119.4(3) . . ?
C12 C11 B34 63.1(5) . . ?
B31 C11 B34 114.2(4) . . ?
B35 C11 B34 109.4(5) . . ?
B39 C11 B34 58.2(4) . . ?
C5 B11 B15 58.4(3) . . ?
C5 B11 C6 59.0(3) . . ?
B15 B11 C6 106.7(5) . . ?
C5 B11 B16 107.5(5) . . ?
B15 B11 B16 61.7(5) . . ?
C6 B11 B16 108.0(4) . . ?
C5 B11 B12 106.0(4) . . ?
B15 B11 B12 109.4(5) . . ?
C6 B11 B12 58.7(4) . . ?
B16 B11 B12 61.3(4) . . ?
C5 B11 H11 123.5 . . ?
B15 B11 H11 121.4 . . ?
C6 B11 H11 122.9 . . ?
B16 B11 H11 120.5 . . ?
B12 B11 H11 121.7 . . ?
C6 B12 B17 108.1(5) . . ?
C6 B12 B11 58.7(4) . . ?
B17 B12 B11 105.6(6) . . ?
C6 B12 B16 105.4(4) . . ?
B17 B12 B16 58.8(5) . . ?
B11 B12 B16 58.0(5) . . ?
C6 B12 B13 61.3(4) . . ?
B17 B12 B13 59.7(4) . . ?
B11 B12 B13 106.8(4) . . ?
B16 B12 B13 106.0(6) . . ?
C6 B12 H12 121.8 . . ?
B17 B12 H12 122.3 . . ?
B11 B12 H12 123.6 . . ?
B16 B12 H12 123.9 . . ?
B13 B12 H12 121.8 . . ?
C11 C12 B31 60.4(4) . . ?
C11 C12 B32 110.6(6) . . ?
B31 C12 B32 62.2(6) . . ?
C11 C12 B34 60.8(3) . . ?
B31 C12 B34 112.1(5) . . ?
B32 C12 B34 113.4(5) . . ?
C11 C12 B33 109.3(5) . . ?
B31 C12 B33 113.4(5) . . ?
B32 C12 B33 63.7(4) . . ?
B34 C12 B33 60.7(5) . . ?
C11 C12 H12A 117(5) . . ?
B31 C12 H12A 125(5) . . ?
B32 C12 H12A 127(5) . . ?
B34 C12 H12A 110(5) . . ?
B33 C12 H12A 117(5) . . ?
N1 C13 C14 123.2(3) . . ?
N1 C13 H13A 118.4 . . ?
C14 C13 H13A 118.4 . . ?
B18 B13 B17 61.9(4) . . ?
B18 B13 B14 60.0(3) . . ?
B17 B13 B14 109.4(4) . . ?
B18 B13 C6 106.3(4) . . ?
B17 B13 C6 103.3(4) . . ?
B14 B13 C6 60.9(3) . . ?
B18 B13 B12 107.7(5) . . ?
B17 B13 B12 58.0(4) . . ?
B14 B13 B12 108.0(4) . . ?
C6 B13 B12 57.0(4) . . ?
B18 B13 H13 121.2 . . ?
B17 B13 H13 122.5 . . ?
B14 B13 H13 120.2 . . ?
C6 B13 H13 124.6 . . ?
B12 B13 H13 123.2 . . ?
C13 C14 C15 119.0(3) . . ?
C13 C14 H14A 120.5 . . ?
C15 C14 H14A 120.5 . . ?
C5 B14 B19 57.3(3) . . ?
C5 B14 B18 104.1(4) . . ?
B19 B14 B18 60.8(3) . . ?
C5 B14 B13 104.9(4) . . ?
B19 B14 B13 107.4(4) . . ?
B18 B14 B13 58.6(3) . . ?
C5 B14 C6 56.4(3) . . ?
B19 B14 C6 103.4(4) . . ?
B18 B14 C6 104.8(4) . . ?
B13 B14 C6 60.4(3) . . ?
C5 B14 H14 125.2 . . ?
B19 B14 H14 122.8 . . ?
B18 B14 H14 123.2 . . ?
B13 B14 H14 121.9 . . ?
C6 B14 H14 124.4 . . ?
C16 C15 C14 118.1(3) . . ?
C16 C15 C18 120.6(4) . . ?
C14 C15 C18 121.2(4) . . ?
C5 B15 B19 60.4(3) . . ?
C5 B15 B11 60.0(3) . . ?
B19 B15 B11 110.5(4) . . ?
C5 B15 B20 107.5(5) . . ?
B19 B15 B20 61.1(5) . . ?
B11 B15 B20 109.1(5) . . ?
C5 B15 B16 107.3(5) . . ?
B19 B15 B16 110.7(4) . . ?
B11 B15 B16 59.9(5) . . ?
B20 B15 B16 61.0(4) . . ?
C5 B15 H15 122.7 . . ?
B19 B15 H15 119.6 . . ?
B11 B15 H15 120.9 . . ?
B20 B15 H15 121.3 . . ?
B16 B15 H15 121.1 . . ?
C15 C16 C17 119.6(3) . . ?
C15 C16 H16A 120.2 . . ?
C17 C16 H16A 120.2 . . ?
B17 B16 B11 107.6(5) . . ?
B17 B16 B15 107.3(6) . . ?
B11 B16 B15 58.4(4) . . ?
B17 B16 B20 60.7(5) . . ?
B11 B16 B20 106.6(4) . . ?
B15 B16 B20 59.3(5) . . ?
B17 B16 B12 58.7(4) . . ?
B11 B16 B12 60.7(5) . . ?
B15 B16 B12 106.4(4) . . ?
B20 B16 B12 106.9(5) . . ?
B17 B16 H16 121.8 . . ?
B11 B16 H16 122.2 . . ?
B15 B16 H16 123.0 . . ?
B20 B16 H16 122.2 . . ?
B12 B16 H16 122.5 . . ?
N1 C17 C16 123.2(3) . . ?
N1 C17 H17A 118.4 . . ?
C16 C17 H17A 118.4 . . ?
B12 B17 B16 62.5(5) . . ?
B12 B17 B13 62.3(4) . . ?
B16 B17 B13 110.7(5) . . ?
B12 B17 B20 110.3(5) . . ?
B16 B17 B20 61.3(5) . . ?
B13 B17 B20 105.1(5) . . ?
B12 B17 B18 107.8(4) . . ?
B16 B17 B18 106.4(4) . . ?
B13 B17 B18 57.8(4) . . ?
B20 B17 B18 56.4(5) . . ?
B12 B17 H17 119.1 . . ?
B16 B17 H17 119.9 . . ?
B13 B17 H17 121.8 . . ?
B20 B17 H17 122.9 . . ?
B18 B17 H17 124.8 . . ?
F2 C18 F1 109.0(12) . . ?
F3' C18 F1' 114.0(13) . . ?
F2 C18 F3 99.2(9) . . ?
F1 C18 F3 106.0(12) . . ?
F3' C18 F2' 103.7(13) . . ?
F1' C18 F2' 106.9(10) . . ?
F2 C18 C15 115.9(7) . . ?
F1 C18 C15 114.4(7) . . ?
F3' C18 C15 112.1(7) . . ?
F1' C18 C15 111.8(7) . . ?
F3 C18 C15 110.9(6) . . ?
F2' C18 C15 107.7(6) . . ?
B20 B18 B13 111.2(6) . . ?
B20 B18 B14 110.3(4) . . ?
B13 B18 B14 61.3(4) . . ?
B20 B18 B19 60.4(4) . . ?
B13 B18 B19 108.6(4) . . ?
B14 B18 B19 59.6(3) . . ?
B20 B18 B17 61.5(5) . . ?
B13 B18 B17 60.2(4) . . ?
B14 B18 B17 109.1(5) . . ?
B19 B18 B17 107.8(5) . . ?
B20 B18 H18 119.5 . . ?
B13 B18 H18 120.3 . . ?
B14 B18 H18 120.7 . . ?
B19 B18 H18 122.4 . . ?
B17 B18 H18 121.5 . . ?
N2 C19 C20 124.5(4) . . ?
N2 C19 H19A 117.8 . . ?
C20 C19 H19A 117.8 . . ?
B15 B19 C5 59.7(3) . . ?
B15 B19 B20 62.4(5) . . ?
C5 B19 B20 108.0(6) . . ?
B15 B19 B14 110.5(5) . . ?
C5 B19 B14 61.0(3) . . ?
B20 B19 B14 108.0(4) . . ?
B15 B19 B18 107.6(5) . . ?
C5 B19 B18 106.0(4) . . ?
B20 B19 B18 57.6(4) . . ?
B14 B19 B18 59.6(3) . . ?
B15 B19 H19 120.1 . . ?
C5 B19 H19 122.3 . . ?
B20 B19 H19 121.7 . . ?
B14 B19 H19 120.5 . . ?
B18 B19 H19 123.9 . . ?
C21 C20 C19 119.0(4) . . ?
C21 C20 H20A 120.5 . . ?
C19 C20 H20A 120.5 . . ?
B18 B20 B19 61.9(4) . . ?
B18 B20 B15 106.5(4) . . ?
B19 B20 B15 56.6(3) . . ?
B18 B20 B17 62.1(4) . . ?
B19 B20 B17 109.4(5) . . ?
B15 B20 B17 105.5(7) . . ?
B18 B20 B16 108.3(6) . . ?
B19 B20 B16 106.1(5) . . ?
B15 B20 B16 59.7(5) . . ?
B17 B20 B16 58.0(5) . . ?
B18 B20 H20 120.2 . . ?
B19 B20 H20 122.0 . . ?
B15 B20 H20 124.4 . . ?
B17 B20 H20 121.7 . . ?
B16 B20 H20 122.8 . . ?
C22 C21 C20 117.1(4) . . ?
C22 C21 C24 121.0(5) . . ?
C20 C21 C24 121.8(5) . . ?
C8 B21 C9 57.7(2) . . ?
C8 B21 B26 104.2(3) . . ?
C9 B21 B26 104.3(4) . . ?
C8 B21 B25 58.6(2) . . ?
C9 B21 B25 104.9(4) . . ?
B26 B21 B25 59.6(3) . . ?
C8 B21 B22 103.0(3) . . ?
C9 B21 B22 57.3(3) . . ?
B26 B21 B22 59.5(3) . . ?
B25 B21 B22 106.3(3) . . ?
C8 B21 H21 124.8 . . ?
C9 B21 H21 124.5 . . ?
B26 B21 H21 123.2 . . ?
B25 B21 H21 122.5 . . ?
B22 B21 H21 123.8 . . ?
C21 C22 C23 119.8(4) . . ?
C21 C22 H22A 120.1 . . ?
C23 C22 H22A 120.1 . . ?
C9 B22 B23 58.8(3) . . ?
C9 B22 B27 106.7(4) . . ?
B23 B22 B27 61.7(4) . . ?
C9 B22 B26 106.3(3) . . ?
B23 B22 B26 109.4(4) . . ?
B27 B22 B26 59.8(3) . . ?
C9 B22 B21 60.0(3) . . ?
B23 B22 B21 108.9(3) . . ?
B27 B22 B21 107.8(4) . . ?
B26 B22 B21 59.4(3) . . ?
C9 B22 H22 123.4 . . ?
B23 B22 H22 120.5 . . ?
B27 B22 H22 121.6 . . ?
B26 B22 H22 122.1 . . ?
B21 B22 H22 121.6 . . ?
N2 C23 C22 123.9(3) . . ?
N2 C23 H23A 118.1 . . ?
C22 C23 H23A 118.1 . . ?
C9 B23 B24 58.8(3) . . ?
C9 B23 B22 59.6(3) . . ?
B24 B23 B22 106.8(4) . . ?
C9 B23 B28 105.4(4) . . ?
B24 B23 B28 59.1(4) . . ?
B22 B23 B28 106.6(5) . . ?
C9 B23 B27 105.9(4) . . ?
B24 B23 B27 105.5(5) . . ?
B22 B23 B27 59.8(3) . . ?
B28 B23 B27 58.5(4) . . ?
C9 B23 H23 123.1 . . ?
B24 B23 H23 122.9 . . ?
B22 B23 H23 121.9 . . ?
B28 B23 H23 123.2 . . ?
B27 B23 H23 123.1 . . ?
F5' C24 F4' 105.1(15) . . ?
F4 C24 F5 105.9(10) . . ?
F5' C24 F6' 94.4(13) . . ?
F4' C24 F6' 117.0(13) . . ?
F4 C24 F6 105.4(15) . . ?
F5 C24 F6 109.2(15) . . ?
F5' C24 C21 115.5(7) . . ?
F4' C24 C21 116.1(8) . . ?
F4 C24 C21 114.4(6) . . ?
F5 C24 C21 111.6(9) . . ?
F6' C24 C21 107.0(9) . . ?
F6 C24 C21 110.0(8) . . ?
C8 B24 C9 60.3(3) . . ?
C8 B24 B29 60.1(3) . . ?
C9 B24 B29 109.9(3) . . ?
C8 B24 B23 108.6(4) . . ?
C9 B24 B23 59.5(3) . . ?
B29 B24 B23 111.9(4) . . ?
C8 B24 B28 107.1(4) . . ?
C9 B24 B28 108.4(4) . . ?
B29 B24 B28 60.4(4) . . ?
B23 B24 B28 62.1(4) . . ?
C8 B24 H24 122.4 . . ?
C9 B24 H24 121.5 . . ?
B29 B24 H24 119.7 . . ?
B23 B24 H24 119.9 . . ?
B28 B24 H24 121.6 . . ?
C8 B25 B30 106.2(4) . . ?
C8 B25 B26 104.9(4) . . ?
B30 B25 B26 60.7(3) . . ?
C8 B25 B29 57.6(3) . . ?
B30 B25 B29 61.3(4) . . ?
B26 B25 B29 108.2(4) . . ?
C8 B25 B21 59.1(2) . . ?
B30 B25 B21 109.6(4) . . ?
B26 B25 B21 60.0(3) . . ?
B29 B25 B21 107.4(4) . . ?
C8 B25 H25 124.7 . . ?
B30 B25 H25 120.6 . . ?
B26 B25 H25 122.3 . . ?
B29 B25 H25 121.9 . . ?
B21 B25 H25 121.2 . . ?
B27 B26 B25 107.3(4) . . ?
B27 B26 B21 109.2(4) . . ?
B25 B26 B21 60.5(3) . . ?
B27 B26 B22 59.8(3) . . ?
B25 B26 B22 108.2(3) . . ?
B21 B26 B22 61.1(3) . . ?
B27 B26 B30 60.2(4) . . ?
B25 B26 B30 59.2(3) . . ?
B21 B26 B30 108.8(3) . . ?
B22 B26 B30 108.2(4) . . ?
B27 B26 H26 121.7 . . ?
B25 B26 H26 122.3 . . ?
B21 B26 H26 120.5 . . ?
B22 B26 H26 121.4 . . ?
B30 B26 H26 121.7 . . ?
B28 B27 B26 107.7(4) . . ?
B28 B27 B22 107.0(4) . . ?
B26 B27 B22 60.4(3) . . ?
B28 B27 B30 60.3(4) . . ?
B26 B27 B30 60.3(4) . . ?
B22 B27 B30 108.8(4) . . ?
B28 B27 B23 60.5(4) . . ?
B26 B27 B23 107.3(4) . . ?
B22 B27 B23 58.4(3) . . ?
B30 B27 B23 109.0(4) . . ?
B28 B27 H27 121.9 . . ?
B26 B27 H27 121.8 . . ?
B22 B27 H27 122.2 . . ?
B30 B27 H27 120.7 . . ?
B23 B27 H27 122.0 . . ?
B29 B28 B24 58.9(3) . . ?
B29 B28 B27 109.8(5) . . ?
B24 B28 B27 107.3(4) . . ?
B29 B28 B30 61.9(4) . . ?
B24 B28 B30 108.0(4) . . ?
B27 B28 B30 60.5(4) . . ?
B29 B28 B23 107.8(4) . . ?
B24 B28 B23 58.8(4) . . ?
B27 B28 B23 61.0(4) . . ?
B30 B28 B23 109.6(4) . . ?
B29 B28 H28 121.0 . . ?
B24 B28 H28 123.3 . . ?
B27 B28 H28 121.0 . . ?
B30 B28 H28 120.4 . . ?
B23 B28 H28 121.5 . . ?
C8 B29 B24 58.8(3) . . ?
C8 B29 B28 106.3(4) . . ?
B24 B29 B28 60.7(4) . . ?
C8 B29 B25 59.3(2) . . ?
B24 B29 B25 107.2(3) . . ?
B28 B29 B25 107.0(4) . . ?
C8 B29 B30 105.3(3) . . ?
B24 B29 B30 108.1(4) . . ?
B28 B29 B30 60.2(4) . . ?
B25 B29 B30 58.5(3) . . ?
C8 B29 H29 123.6 . . ?
B24 B29 H29 121.5 . . ?
B28 B29 H29 121.8 . . ?
B25 B29 H29 122.6 . . ?
B30 B29 H29 122.6 . . ?
B25 B30 B28 106.5(4) . . ?
B25 B30 B27 107.5(4) . . ?
B28 B30 B27 59.2(4) . . ?
B25 B30 B26 60.1(3) . . ?
B28 B30 B26 106.2(5) . . ?
B27 B30 B26 59.5(3) . . ?
B25 B30 B29 60.2(3) . . ?
B28 B30 B29 57.9(4) . . ?
B27 B30 B29 105.5(5) . . ?
B26 B30 B29 106.8(3) . . ?
B25 B30 H30 121.6 . . ?
B28 B30 H30 123.4 . . ?
B27 B30 H30 122.6 . . ?
B26 B30 H30 122.2 . . ?
B29 B30 H30 123.1 . . ?
C11 B31 C12 58.9(3) . . ?
C11 B31 B32 108.5(6) . . ?
C12 B31 B32 61.2(6) . . ?
C11 B31 B36 105.0(5) . . ?
C12 B31 B36 104.9(5) . . ?
B32 B31 B36 58.6(4) . . ?
C11 B31 B35 57.6(3) . . ?
C12 B31 B35 104.1(5) . . ?
B32 B31 B35 107.1(4) . . ?
B36 B31 B35 59.5(5) . . ?
C11 B31 H31 122.9 . . ?
C12 B31 H31 123.4 . . ?
B32 B31 H31 120.8 . . ?
B36 B31 H31 123.8 . . ?
B35 B31 H31 123.7 . . ?
B37 B32 C12 106.0(5) . . ?
B37 B32 B36 59.1(4) . . ?
C12 B32 B36 104.1(4) . . ?
B37 B32 B31 109.6(6) . . ?
C12 B32 B31 56.6(4) . . ?
B36 B32 B31 62.0(6) . . ?
B37 B32 B33 58.6(4) . . ?
C12 B32 B33 58.8(5) . . ?
B36 B32 B33 103.7(5) . . ?
B31 B32 B33 104.9(4) . . ?
B37 B32 H32 121.4 . . ?
C12 B32 H32 124.6 . . ?
B36 B32 H32 123.4 . . ?
B31 B32 H32 121.5 . . ?
B33 B32 H32 124.5 . . ?
B38 B33 B37 63.6(5) . . ?
B38 B33 C12 107.0(4) . . ?
B37 B33 C12 103.8(6) . . ?
B38 B33 B34 61.6(5) . . ?
B37 B33 B34 111.1(5) . . ?
C12 B33 B34 59.2(4) . . ?
B38 B33 B32 108.4(6) . . ?
B37 B33 B32 57.3(5) . . ?
C12 B33 B32 57.5(5) . . ?
B34 B33 B32 107.1(4) . . ?
B38 B33 H33 119.7 . . ?
B37 B33 H33 121.6 . . ?
C12 B33 H33 125.0 . . ?
B34 B33 H33 120.2 . . ?
B32 B33 H33 123.6 . . ?
B39 B34 C11 60.6(3) . . ?
B39 B34 C12 105.2(5) . . ?
C11 B34 C12 56.1(3) . . ?
B39 B34 B38 62.2(5) . . ?
C11 B34 B38 106.9(5) . . ?
C12 B34 B38 103.3(5) . . ?
B39 B34 B33 107.1(5) . . ?
C11 B34 B33 105.2(5) . . ?
C12 B34 B33 60.2(4) . . ?
B38 B34 B33 55.9(4) . . ?
B39 B34 H34 120.8 . . ?
C11 B34 H34 123.2 . . ?
C12 B34 H34 124.9 . . ?
B38 B34 H34 123.4 . . ?
B33 B34 H34 123.4 . . ?
C11 B35 B39 60.9(4) . . ?
C11 B35 B36 104.8(6) . . ?
B39 B35 B36 108.0(5) . . ?
C11 B35 B40 106.3(6) . . ?
B39 B35 B40 59.4(5) . . ?
B36 B35 B40 60.6(4) . . ?
C11 B35 B31 56.6(4) . . ?
B39 B35 B31 107.1(5) . . ?
B36 B35 B31 60.2(6) . . ?
B40 B35 B31 107.8(5) . . ?
C11 B35 H35 124.1 . . ?
B39 B35 H35 121.3 . . ?
B36 B35 H35 122.1 . . ?
B40 B35 H35 121.8 . . ?
B31 B35 H35 122.7 . . ?
B37 B36 B32 60.1(5) . . ?
B37 B36 B35 110.0(6) . . ?
B32 B36 B35 108.5(5) . . ?
B37 B36 B31 108.3(6) . . ?
B32 B36 B31 59.4(6) . . ?
B35 B36 B31 60.4(4) . . ?
B37 B36 B40 61.1(5) . . ?
B32 B36 B40 108.0(6) . . ?
B35 B36 B40 60.0(5) . . ?
B31 B36 B40 107.5(4) . . ?
B37 B36 H36 120.6 . . ?
B32 B36 H36 122.0 . . ?
B35 B36 H36 120.8 . . ?
B31 B36 H36 122.2 . . ?
B40 B36 H36 121.7 . . ?
B36 B37 B32 60.8(5) . . ?
B36 B37 B33 109.0(5) . . ?
B32 B37 B33 64.1(5) . . ?
B36 B37 B40 62.1(5) . . ?
B32 B37 B40 109.3(5) . . ?
B33 B37 B40 101.1(5) . . ?
B36 B37 B38 105.1(5) . . ?
B32 B37 B38 107.5(5) . . ?
B33 B37 B38 55.5(4) . . ?
B40 B37 B38 54.5(4) . . ?
B36 B37 H37 120.5 . . ?
B32 B37 H37 118.7 . . ?
B33 B37 H37 123.4 . . ?
B40 B37 H37 124.5 . . ?
B38 B37 H37 126.1 . . ?
B40 B38 B33 112.4(7) . . ?
B40 B38 B34 108.0(5) . . ?
B33 B38 B34 62.5(4) . . ?
B40 B38 B39 60.7(5) . . ?
B33 B38 B39 107.5(4) . . ?
B34 B38 B39 56.0(4) . . ?
B40 B38 B37 62.7(5) . . ?
B33 B38 B37 61.0(5) . . ?
B34 B38 B37 109.8(5) . . ?
B39 B38 B37 108.6(5) . . ?
B40 B38 H38 119.3 . . ?
B33 B38 H38 119.5 . . ?
B34 B38 H38 122.2 . . ?
B39 B38 H38 123.8 . . ?
B37 B38 H38 120.0 . . ?
C2 B6 B4 60.5(3) . . ?
C2 B6 B7 109.1(4) . . ?
B4 B6 B7 62.4(4) . . ?
C2 B6 B10 107.6(6) . . ?
B4 B6 B10 110.5(4) . . ?
B7 B6 B10 60.0(4) . . ?
C2 B6 B5 60.3(3) . . ?
B4 B6 B5 111.2(4) . . ?
B7 B6 B5 110.0(5) . . ?
B10 B6 B5 60.5(6) . . ?
C2 B6 H6 122.1 . . ?
B4 B6 H6 119.2 . . ?
B7 B6 H6 120.4 . . ?
B10 B6 H6 121.7 . . ?
B5 B6 H6 120.2 . . ?
B34 B39 B35 111.4(5) . . ?
B34 B39 C11 61.3(3) . . ?
B35 B39 C11 59.2(3) . . ?
B34 B39 B40 109.0(5) . . ?
B35 B39 B40 63.7(5) . . ?
C11 B39 B40 108.4(5) . . ?
B34 B39 B38 61.7(4) . . ?
B35 B39 B38 108.2(5) . . ?
C11 B39 B38 107.1(4) . . ?
B40 B39 B38 56.1(4) . . ?
B34 B39 H39 119.2 . . ?
B35 B39 H39 119.5 . . ?
C11 B39 H39 122.3 . . ?
B40 B39 H39 121.6 . . ?
B38 B39 H39 123.4 . . ?
B6 B7 B10 60.3(5) . . ?
B6 B7 B4 57.4(3) . . ?
B10 B7 B4 106.8(5) . . ?
B6 B7 B3 106.6(4) . . ?
B10 B7 B3 109.3(6) . . ?
B4 B7 B3 60.2(3) . . ?
B6 B7 B9 108.1(6) . . ?
B10 B7 B9 61.7(5) . . ?
B4 B7 B9 106.9(4) . . ?
B3 B7 B9 59.5(3) . . ?
B6 B7 H7 122.9 . . ?
B10 B7 H7 120.6 . . ?
B4 B7 H7 123.4 . . ?
B3 B7 H7 121.6 . . ?
B9 B7 H7 121.4 . . ?
B7 B10 B6 59.7(5) . . ?
B7 B10 B5 109.2(4) . . ?
B6 B10 B5 59.9(4) . . ?
B7 B10 B8 108.1(5) . . ?
B6 B10 B8 106.3(5) . . ?
B5 B10 B8 60.1(6) . . ?
B7 B10 B9 60.6(4) . . ?
B6 B10 B9 106.7(5) . . ?
B5 B10 B9 108.3(7) . . ?
B8 B10 B9 59.4(5) . . ?
B7 B10 H10 120.9 . . ?
B6 B10 H10 123.0 . . ?
B5 B10 H10 121.0 . . ?
B8 B10 H10 122.4 . . ?
B9 B10 H10 122.0 . . ?
B38 B40 B39 63.2(5) . . ?
B38 B40 B37 62.9(5) . . ?
B39 B40 B37 110.6(5) . . ?
B38 B40 B35 108.3(5) . . ?
B39 B40 B35 56.9(4) . . ?
B37 B40 B35 105.9(6) . . ?
B38 B40 B36 107.5(6) . . ?
B39 B40 B36 105.1(4) . . ?
B37 B40 B36 56.7(4) . . ?
B35 B40 B36 59.4(5) . . ?
B38 B40 H40 119.2 . . ?
B39 B40 H40 121.5 . . ?
B37 B40 H40 121.4 . . ?
B35 B40 H40 123.6 . . ?
B36 B40 H40 124.4 . . ?
B1 B8 B5 59.7(4) . . ?
B1 B8 B10 106.9(5) . . ?
B5 B8 B10 59.6(6) . . ?
B1 B8 B9 108.0(5) . . ?
B5 B8 B9 109.5(7) . . ?
B10 B8 B9 61.4(5) . . ?
B1 B8 B2 61.4(5) . . ?
B5 B8 B2 109.1(4) . . ?
B10 B8 B2 107.2(6) . . ?
B9 B8 B2 58.2(4) . . ?
B1 B8 H8 121.8 . . ?
B5 B8 H8 121.0 . . ?
B10 B8 H8 122.2 . . ?
B9 B8 H8 121.3 . . ?
B2 B8 H8 121.8 . . ?

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
Cu1 O1 C1 O2 -1.9(5) . . . . ?
Cu1 O1 C1 C2 179.42(19) . . . . ?
O1 C1 O2 Cu2 3.5(5) . . . . ?
C2 C1 O2 Cu2 -177.8(2) . . . . ?
O1 C1 C2 B1 7.2(5) . . . . ?
O2 C1 C2 B1 -171.7(4) . . . . ?
O1 C1 C2 B6 151.3(5) . . . . ?
O2 C1 C2 B6 -27.6(6) . . . . ?
O1 C1 C2 B4 -140.1(4) . . . . ?
O2 C1 C2 B4 41.0(4) . . . . ?
O1 C1 C2 C3 -67.2(5) . . . . ?
O2 C1 C2 C3 114.0(4) . . . . ?
O1 C1 C2 B5 80.0(6) . . . . ?
O2 C1 C2 B5 -98.9(6) . . . . ?
B8 B1 C2 C1 147.9(4) . . . . ?
B5 B1 C2 C1 107.7(4) . . . . ?
C3 B1 C2 C1 -109.1(4) . . . . ?
B2 B1 C2 C1 -148.4(4) . . . . ?
B8 B1 C2 B6 1.9(6) . . . . ?
B5 B1 C2 B6 -38.4(4) . . . . ?
C3 B1 C2 B6 104.8(4) . . . . ?
B2 B1 C2 B6 65.6(6) . . . . ?
B8 B1 C2 B4 -63.5(6) . . . . ?
B5 B1 C2 B4 -103.7(4) . . . . ?
C3 B1 C2 B4 39.5(4) . . . . ?
B2 B1 C2 B4 0.2(6) . . . . ?
B8 B1 C2 C3 -102.9(5) . . . . ?
B5 B1 C2 C3 -143.2(4) . . . . ?
B2 B1 C2 C3 -39.2(4) . . . . ?
B8 B1 C2 B5 40.3(5) . . . . ?
C3 B1 C2 B5 143.2(4) . . . . ?
B2 B1 C2 B5 103.9(5) . . . . ?
C2 B1 B2 B9 -64.8(6) . . . . ?
B8 B1 B2 B9 37.0(6) . . . . ?
B5 B1 B2 B9 -1.0(7) . . . . ?
C3 B1 B2 B9 -104.1(5) . . . . ?
C2 B1 B2 B3 -0.7(7) . . . . ?
B8 B1 B2 B3 101.1(7) . . . . ?
B5 B1 B2 B3 63.1(7) . . . . ?
C3 B1 B2 B3 -40.0(5) . . . . ?
C2 B1 B2 C3 39.3(4) . . . . ?
B8 B1 B2 C3 141.1(7) . . . . ?
B5 B1 B2 C3 103.1(5) . . . . ?
C2 B1 B2 B8 -101.8(7) . . . . ?
B5 B1 B2 B8 -38.0(7) . . . . ?
C3 B1 B2 B8 -141.1(7) . . . . ?
C1 C2 C3 B1 113.3(4) . . . . ?
B6 C2 C3 B1 -103.3(5) . . . . ?
B4 C2 C3 B1 -139.0(4) . . . . ?
B5 C2 C3 B1 -35.3(5) . . . . ?
C1 C2 C3 B2 153.1(4) . . . . ?
B1 C2 C3 B2 39.8(4) . . . . ?
B6 C2 C3 B2 -63.5(6) . . . . ?
B4 C2 C3 B2 -99.2(5) . . . . ?
B5 C2 C3 B2 4.5(7) . . . . ?
C1 C2 C3 B4 -107.7(4) . . . . ?
B1 C2 C3 B4 139.0(4) . . . . ?
B6 C2 C3 B4 35.6(4) . . . . ?
B5 C2 C3 B4 103.7(5) . . . . ?
C1 C2 C3 B3 -145.7(3) . . . . ?
B1 C2 C3 B3 101.0(4) . . . . ?
B6 C2 C3 B3 -2.3(6) . . . . ?
B4 C2 C3 B3 -37.9(3) . . . . ?
B5 C2 C3 B3 65.7(6) . . . . ?
B8 B1 C3 C2 99.6(7) . . . . ?
B5 B1 C3 C2 33.9(3) . . . . ?
B2 B1 C3 C2 135.2(5) . . . . ?
C2 B1 C3 B2 -135.2(5) . . . . ?
B8 B1 C3 B2 -35.5(6) . . . . ?
B5 B1 C3 B2 -101.3(5) . . . . ?
C2 B1 C3 B4 -35.1(3) . . . . ?
B8 B1 C3 B4 64.6(7) . . . . ?
B5 B1 C3 B4 -1.2(5) . . . . ?
B2 B1 C3 B4 100.1(4) . . . . ?
C2 B1 C3 B3 -96.8(4) . . . . ?
B8 B1 C3 B3 2.9(8) . . . . ?
B5 B1 C3 B3 -62.9(5) . . . . ?
B2 B1 C3 B3 38.4(5) . . . . ?
B9 B2 C3 C2 60.2(7) . . . . ?
B3 B2 C3 C2 98.0(4) . . . . ?
B8 B2 C3 C2 -4.3(7) . . . . ?
B1 B2 C3 C2 -38.1(4) . . . . ?
B9 B2 C3 B1 98.3(6) . . . . ?
B3 B2 C3 B1 136.1(5) . . . . ?
B8 B2 C3 B1 33.8(6) . . . . ?
B9 B2 C3 B4 0.0(7) . . . . ?
B3 B2 C3 B4 37.7(4) . . . . ?
B8 B2 C3 B4 -64.5(7) . . . . ?
B1 B2 C3 B4 -98.3(5) . . . . ?
B9 B2 C3 B3 -37.8(5) . . . . ?
B8 B2 C3 B3 -102.3(6) . . . . ?
B1 B2 C3 B3 -136.1(5) . . . . ?
C3 B2 B3 B9 -139.0(4) . . . . ?
B8 B2 B3 B9 -38.9(4) . . . . ?
B1 B2 B3 B9 -100.2(6) . . . . ?
B9 B2 B3 B7 38.4(4) . . . . ?
C3 B2 B3 B7 -100.5(4) . . . . ?
B8 B2 B3 B7 -0.5(5) . . . . ?
B1 B2 B3 B7 -61.7(6) . . . . ?
B9 B2 B3 B4 101.1(4) . . . . ?
C3 B2 B3 B4 -37.9(4) . . . . ?
B8 B2 B3 B4 62.2(5) . . . . ?
B1 B2 B3 B4 0.9(7) . . . . ?
B9 B2 B3 C3 139.0(4) . . . . ?
B8 B2 B3 C3 100.0(4) . . . . ?
B1 B2 B3 C3 38.8(4) . . . . ?
C2 C3 B3 B2 -99.4(5) . . . . ?
B1 C3 B3 B2 -39.4(5) . . . . ?
B4 C3 B3 B2 -136.7(5) . . . . ?
C2 C3 B3 B9 -63.6(5) . . . . ?
B1 C3 B3 B9 -3.6(6) . . . . ?
B2 C3 B3 B9 35.8(5) . . . . ?
B4 C3 B3 B9 -100.9(5) . . . . ?
C2 C3 B3 B7 0.1(6) . . . . ?
B1 C3 B3 B7 60.1(6) . . . . ?
B2 C3 B3 B7 99.5(5) . . . . ?
B4 C3 B3 B7 -37.2(5) . . . . ?
C2 C3 B3 B4 37.3(3) . . . . ?
B1 C3 B3 B4 97.3(4) . . . . ?
B2 C3 B3 B4 136.7(5) . . . . ?
Cu1 O3 C4 O4 7.0(5) . . . . ?
Cu1 O3 C4 C5 -173.7(2) . . . . ?
Cu2 O4 C4 O3 -6.4(5) . . . . ?
Cu2 O4 C4 C5 174.38(19) . . . . ?
C1 C2 B4 B6 -107.5(4) . . . . ?
B1 C2 B4 B6 102.3(4) . . . . ?
C3 C2 B4 B6 141.5(4) . . . . ?
B5 C2 B4 B6 34.9(5) . . . . ?
C1 C2 B4 B7 -146.3(4) . . . . ?
B1 C2 B4 B7 63.4(5) . . . . ?
B6 C2 B4 B7 -38.8(4) . . . . ?
C3 C2 B4 B7 102.7(4) . . . . ?
B5 C2 B4 B7 -4.0(6) . . . . ?
C1 C2 B4 B3 150.6(3) . . . . ?
B1 C2 B4 B3 0.3(5) . . . . ?
B6 C2 B4 B3 -101.9(4) . . . . ?
C3 C2 B4 B3 39.6(3) . . . . ?
B5 C2 B4 B3 -67.1(6) . . . . ?
C1 C2 B4 C3 111.0(3) . . . . ?
B1 C2 B4 C3 -39.2(4) . . . . ?
B6 C2 B4 C3 -141.5(4) . . . . ?
B5 C2 B4 C3 -106.7(5) . . . . ?
B2 B3 B4 B6 -63.6(6) . . . . ?
B9 B3 B4 B6 -2.2(6) . . . . ?
B7 B3 B4 B6 36.7(6) . . . . ?
C3 B3 B4 B6 -101.4(5) . . . . ?
B2 B3 B4 C2 -0.8(6) . . . . ?
B9 B3 B4 C2 60.7(6) . . . . ?
B7 B3 B4 C2 99.6(6) . . . . ?
C3 B3 B4 C2 -38.5(3) . . . . ?
B2 B3 B4 B7 -100.4(5) . . . . ?
B9 B3 B4 B7 -38.9(5) . . . . ?
C3 B3 B4 B7 -138.2(5) . . . . ?
B2 B3 B4 C3 37.8(5) . . . . ?
B9 B3 B4 C3 99.3(5) . . . . ?
B7 B3 B4 C3 138.2(5) . . . . ?
C2 C3 B4 B6 -34.4(3) . . . . ?
B1 C3 B4 B6 0.5(4) . . . . ?
B2 C3 B4 B6 64.1(5) . . . . ?
B3 C3 B4 B6 101.7(4) . . . . ?
B1 C3 B4 C2 35.0(3) . . . . ?
B2 C3 B4 C2 98.5(5) . . . . ?
B3 C3 B4 C2 136.1(4) . . . . ?
C2 C3 B4 B7 -98.4(5) . . . . ?
B1 C3 B4 B7 -63.5(5) . . . . ?
B2 C3 B4 B7 0.1(7) . . . . ?
B3 C3 B4 B7 37.7(5) . . . . ?
C2 C3 B4 B3 -136.1(4) . . . . ?
B1 C3 B4 B3 -101.2(4) . . . . ?
B2 C3 B4 B3 -37.6(4) . . . . ?
O3 C4 C5 B15 -128.3(5) . . . . ?
O4 C4 C5 B15 51.1(6) . . . . ?
O3 C4 C5 B19 161.2(4) . . . . ?
O4 C4 C5 B19 -19.5(5) . . . . ?
O3 C4 C5 C6 14.2(5) . . . . ?
O4 C4 C5 C6 -166.4(4) . . . . ?
O3 C4 C5 B11 -56.8(5) . . . . ?
O4 C4 C5 B11 122.6(5) . . . . ?
O3 C4 C5 B14 88.8(4) . . . . ?
O4 C4 C5 B14 -91.9(4) . . . . ?
C1 C2 B5 B1 -113.2(4) . . . . ?
B6 C2 B5 B1 139.0(4) . . . . ?
B4 C2 B5 B1 104.9(4) . . . . ?
C3 C2 B5 B1 35.6(5) . . . . ?
C1 C2 B5 B6 107.7(4) . . . . ?
B1 C2 B5 B6 -139.0(4) . . . . ?
B4 C2 B5 B6 -34.1(4) . . . . ?
C3 C2 B5 B6 -103.4(5) . . . . ?
C1 C2 B5 B10 145.8(6) . . . . ?
B1 C2 B5 B10 -100.9(7) . . . . ?
B6 C2 B5 B10 38.1(6) . . . . ?
B4 C2 B5 B10 4.0(8) . . . . ?
C3 C2 B5 B10 -65.3(8) . . . . ?
C1 C2 B5 B8 -151.6(6) . . . . ?
B1 C2 B5 B8 -38.4(6) . . . . ?
B6 C2 B5 B8 100.7(7) . . . . ?
B4 C2 B5 B8 66.5(8) . . . . ?
C3 C2 B5 B8 -2.8(8) . . . . ?
B8 B1 B5 C2 -135.4(5) . . . . ?
C3 B1 B5 C2 -33.6(3) . . . . ?
B2 B1 B5 C2 -97.6(5) . . . . ?
C2 B1 B5 B6 35.0(3) . . . . ?
B8 B1 B5 B6 -100.4(5) . . . . ?
C3 B1 B5 B6 1.3(5) . . . . ?
B2 B1 B5 B6 -62.7(5) . . . . ?
C2 B1 B5 B10 97.3(7) . . . . ?
B8 B1 B5 B10 -38.2(6) . . . . ?
C3 B1 B5 B10 63.6(7) . . . . ?
B2 B1 B5 B10 -0.4(8) . . . . ?
C2 B1 B5 B8 135.4(5) . . . . ?
C3 B1 B5 B8 101.8(5) . . . . ?
B2 B1 B5 B8 37.8(5) . . . . ?
C4 C5 C6 B12 -147.0(4) . . . . ?
B15 C5 C6 B12 -1.6(7) . . . . ?
B19 C5 C6 B12 63.7(6) . . . . ?
B11 C5 C6 B12 -39.2(5) . . . . ?
B14 C5 C6 B12 102.4(5) . . . . ?
C4 C5 C6 B11 -107.9(4) . . . . ?
B15 C5 C6 B11 37.6(5) . . . . ?
B19 C5 C6 B11 102.9(5) . . . . ?
B14 C5 C6 B11 141.5(4) . . . . ?
C4 C5 C6 B13 147.9(4) . . . . ?
B15 C5 C6 B13 -66.7(6) . . . . ?
B19 C5 C6 B13 -1.4(6) . . . . ?
B11 C5 C6 B13 -104.3(5) . . . . ?
B14 C5 C6 B13 37.3(4) . . . . ?
C4 C5 C6 B14 110.6(3) . . . . ?
B15 C5 C6 B14 -104.0(5) . . . . ?
B19 C5 C6 B14 -38.7(4) . . . . ?
B11 C5 C6 B14 -141.5(4) . . . . ?
Cu2 O6 C7 O5 1.3(5) . . . . ?
Cu2 O6 C7 C8 -178.66(18) . . . . ?
Cu1 O5 C7 O6 -1.0(5) . . . . ?
Cu1 O5 C7 C8 178.97(19) . . . . ?
O6 C7 C8 B24 -145.5(4) . . . . ?
O5 C7 C8 B24 34.5(4) . . . . ?
O6 C7 C8 C9 145.4(4) . . . . ?
O5 C7 C8 C9 -34.5(4) . . . . ?
O6 C7 C8 B29 -74.5(4) . . . . ?
O5 C7 C8 B29 105.6(4) . . . . ?
O6 C7 C8 B25 1.1(4) . . . . ?
O5 C7 C8 B25 -178.9(3) . . . . ?
O6 C7 C8 B21 74.3(4) . . . . ?
O5 C7 C8 B21 -105.6(3) . . . . ?
C7 C8 C9 B24 107.8(3) . . . . ?
B29 C8 C9 B24 -35.9(3) . . . . ?
B25 C8 C9 B24 -104.1(4) . . . . ?
B21 C8 C9 B24 -143.6(3) . . . . ?
C7 C8 C9 B23 145.1(3) . . . . ?
B24 C8 C9 B23 37.3(4) . . . . ?
B29 C8 C9 B23 1.4(5) . . . . ?
B25 C8 C9 B23 -66.8(5) . . . . ?
B21 C8 C9 B23 -106.3(4) . . . . ?
C7 C8 C9 B22 -149.2(4) . . . . ?
B24 C8 C9 B22 103.0(5) . . . . ?
B29 C8 C9 B22 67.1(5) . . . . ?
B25 C8 C9 B22 -1.1(5) . . . . ?
B21 C8 C9 B22 -40.6(4) . . . . ?
C7 C8 C9 B21 -108.6(3) . . . . ?
B24 C8 C9 B21 143.6(3) . . . . ?
B29 C8 C9 B21 107.7(4) . . . . ?
B25 C8 C9 B21 39.5(3) . . . . ?
Cu1 O7 C10 O8 -2.4(5) . . . . ?
Cu1 O7 C10 C11 176.8(2) . . . . ?
Cu2 O8 C10 O7 2.4(6) . . . . ?
Cu2 O8 C10 C11 -176.8(2) . . . . ?
C3 B2 B9 B3 38.2(5) . . . . ?
B8 B2 B9 B3 136.9(5) . . . . ?
B1 B2 B9 B3 101.2(4) . . . . ?
B3 B2 B9 B8 -136.9(5) . . . . ?
C3 B2 B9 B8 -98.7(6) . . . . ?
B1 B2 B9 B8 -35.8(5) . . . . ?
B3 B2 B9 B7 -38.3(5) . . . . ?
C3 B2 B9 B7 0.0(7) . . . . ?
B8 B2 B9 B7 98.7(5) . . . . ?
B1 B2 B9 B7 62.9(6) . . . . ?
B3 B2 B9 B10 -99.2(6) . . . . ?
C3 B2 B9 B10 -61.0(8) . . . . ?
B8 B2 B9 B10 37.7(5) . . . . ?
B1 B2 B9 B10 2.0(7) . . . . ?
B7 B3 B9 B2 -136.9(5) . . . . ?
B4 B3 B9 B2 -98.4(5) . . . . ?
C3 B3 B9 B2 -36.0(4) . . . . ?
B2 B3 B9 B8 39.1(6) . . . . ?
B7 B3 B9 B8 -97.9(6) . . . . ?
B4 B3 B9 B8 -59.4(7) . . . . ?
C3 B3 B9 B8 3.0(7) . . . . ?
B2 B3 B9 B7 136.9(5) . . . . ?
B4 B3 B9 B7 38.5(4) . . . . ?
C3 B3 B9 B7 100.9(4) . . . . ?
B2 B3 B9 B10 101.5(7) . . . . ?
B7 B3 B9 B10 -35.5(6) . . . . ?
B4 B3 B9 B10 3.0(8) . . . . ?
C3 B3 B9 B10 65.4(7) . . . . ?
O7 C10 C11 C12 171.7(6) . . . . ?
O8 C10 C11 C12 -8.9(7) . . . . ?
O7 C10 C11 B31 -118.7(6) . . . . ?
O8 C10 C11 B31 60.7(7) . . . . ?
O7 C10 C11 B35 -42.5(7) . . . . ?
O8 C10 C11 B35 136.8(6) . . . . ?
O7 C10 C11 B39 29.1(6) . . . . ?
O8 C10 C11 B39 -151.6(5) . . . . ?
O7 C10 C11 B34 98.0(5) . . . . ?
O8 C10 C11 B34 -82.7(5) . . . . ?
C4 C5 B11 B15 -110.8(4) . . . . ?
B19 C5 B11 B15 34.5(4) . . . . ?
C6 C5 B11 B15 139.8(4) . . . . ?
B14 C5 B11 B15 102.0(4) . . . . ?
C4 C5 B11 C6 109.4(4) . . . . ?
B15 C5 B11 C6 -139.8(4) . . . . ?
B19 C5 B11 C6 -105.4(4) . . . . ?
B14 C5 B11 C6 -37.8(4) . . . . ?
C4 C5 B11 B16 -149.7(4) . . . . ?
B15 C5 B11 B16 -39.0(4) . . . . ?
B19 C5 B11 B16 -4.5(6) . . . . ?
C6 C5 B11 B16 100.9(5) . . . . ?
B14 C5 B11 B16 63.0(6) . . . . ?
C4 C5 B11 B12 146.0(5) . . . . ?
B15 C5 B11 B12 -103.2(6) . . . . ?
B19 C5 B11 B12 -68.8(6) . . . . ?
C6 C5 B11 B12 36.6(5) . . . . ?
B14 C5 B11 B12 -1.2(7) . . . . ?
B12 C6 B11 C5 137.9(5) . . . . ?
B13 C6 B11 C5 97.1(4) . . . . ?
B14 C6 B11 C5 34.5(3) . . . . ?
C5 C6 B11 B15 -35.0(3) . . . . ?
B12 C6 B11 B15 102.9(5) . . . . ?
B13 C6 B11 B15 62.2(5) . . . . ?
B14 C6 B11 B15 -0.5(5) . . . . ?
C5 C6 B11 B16 -100.0(6) . . . . ?
B12 C6 B11 B16 37.9(6) . . . . ?
B13 C6 B11 B16 -2.8(7) . . . . ?
B14 C6 B11 B16 -65.5(6) . . . . ?
C5 C6 B11 B12 -137.9(5) . . . . ?
B13 C6 B11 B12 -40.7(5) . . . . ?
B14 C6 B11 B12 -103.4(5) . . . . ?
C5 C6 B12 B17 -59.8(7) . . . . ?
B11 C6 B12 B17 -97.6(6) . . . . ?
B13 C6 B12 B17 38.4(4) . . . . ?
B14 C6 B12 B17 3.9(7) . . . . ?
C5 C6 B12 B11 37.8(5) . . . . ?
B13 C6 B12 B11 135.9(5) . . . . ?
B14 C6 B12 B11 101.5(5) . . . . ?
C5 C6 B12 B16 1.9(7) . . . . ?
B11 C6 B12 B16 -35.9(6) . . . . ?
B13 C6 B12 B16 100.0(6) . . . . ?
B14 C6 B12 B16 65.6(7) . . . . ?
C5 C6 B12 B13 -98.1(5) . . . . ?
B11 C6 B12 B13 -135.9(5) . . . . ?
B14 C6 B12 B13 -34.4(5) . . . . ?
C5 B11 B12 C6 -36.7(5) . . . . ?
B15 B11 B12 C6 -98.2(5) . . . . ?
B16 B11 B12 C6 -138.2(6) . . . . ?
C5 B11 B12 B17 65.3(7) . . . . ?
B15 B11 B12 B17 3.8(7) . . . . ?
C6 B11 B12 B17 102.0(6) . . . . ?
B16 B11 B12 B17 -36.2(5) . . . . ?
C5 B11 B12 B16 101.5(6) . . . . ?
B15 B11 B12 B16 40.0(6) . . . . ?
C6 B11 B12 B16 138.2(6) . . . . ?
C5 B11 B12 B13 2.9(8) . . . . ?
B15 B11 B12 B13 -58.6(7) . . . . ?
C6 B11 B12 B13 39.6(5) . . . . ?
B16 B11 B12 B13 -98.6(6) . . . . ?
C10 C11 C12 B31 105.5(4) . . . . ?
B35 C11 C12 B31 -43.0(6) . . . . ?
B39 C11 C12 B31 -107.3(5) . . . . ?
B34 C11 C12 B31 -144.3(5) . . . . ?
C10 C11 C12 B32 143.7(5) . . . . ?
B31 C11 C12 B32 38.2(5) . . . . ?
B35 C11 C12 B32 -4.8(8) . . . . ?
B39 C11 C12 B32 -69.1(7) . . . . ?
B34 C11 C12 B32 -106.1(6) . . . . ?
C10 C11 C12 B34 -110.2(4) . . . . ?
B31 C11 C12 B34 144.3(5) . . . . ?
B35 C11 C12 B34 101.3(6) . . . . ?
B39 C11 C12 B34 37.0(5) . . . . ?
C10 C11 C12 B33 -148.0(5) . . . . ?
B31 C11 C12 B33 106.6(6) . . . . ?
B35 C11 C12 B33 63.5(8) . . . . ?
B39 C11 C12 B33 -0.8(8) . . . . ?
B34 C11 C12 B33 -37.8(6) . . . . ?
C17 N1 C13 C14 -0.2(5) . . . . ?
Cu1 N1 C13 C14 -178.4(3) . . . . ?
C5 C6 B13 B18 3.1(6) . . . . ?
B12 C6 B13 B18 -100.8(5) . . . . ?
B11 C6 B13 B18 -59.7(6) . . . . ?
B14 C6 B13 B18 40.8(4) . . . . ?
C5 C6 B13 B17 67.4(6) . . . . ?
B12 C6 B13 B17 -36.5(5) . . . . ?
B11 C6 B13 B17 4.6(6) . . . . ?
B14 C6 B13 B17 105.0(5) . . . . ?
C5 C6 B13 B14 -37.7(4) . . . . ?
B12 C6 B13 B14 -141.5(5) . . . . ?
B11 C6 B13 B14 -100.4(4) . . . . ?
C5 C6 B13 B12 103.9(6) . . . . ?
B11 C6 B13 B12 41.1(5) . . . . ?
B14 C6 B13 B12 141.5(5) . . . . ?
C6 B12 B13 B18 98.3(4) . . . . ?
B17 B12 B13 B18 -38.7(4) . . . . ?
B11 B12 B13 B18 59.9(7) . . . . ?
B16 B12 B13 B18 -0.8(5) . . . . ?
C6 B12 B13 B17 136.9(5) . . . . ?
B11 B12 B13 B17 98.6(6) . . . . ?
B16 B12 B13 B17 37.8(4) . . . . ?
C6 B12 B13 B14 34.9(5) . . . . ?
B17 B12 B13 B14 -102.1(5) . . . . ?
B11 B12 B13 B14 -3.5(8) . . . . ?
B16 B12 B13 B14 -64.2(6) . . . . ?
B17 B12 B13 C6 -136.9(5) . . . . ?
B11 B12 B13 C6 -38.4(5) . . . . ?
B16 B12 B13 C6 -99.1(4) . . . . ?
N1 C13 C14 C15 1.5(6) . . . . ?
C4 C5 B14 B19 110.9(4) . . . . ?
B15 C5 B14 B19 -34.9(4) . . . . ?
C6 C5 B14 B19 -139.2(4) . . . . ?
B11 C5 B14 B19 -102.4(5) . . . . ?
C4 C5 B14 B18 151.6(4) . . . . ?
B15 C5 B14 B18 5.7(6) . . . . ?
B19 C5 B14 B18 40.7(4) . . . . ?
C6 C5 B14 B18 -98.5(5) . . . . ?
B11 C5 B14 B18 -61.7(6) . . . . ?
C4 C5 B14 B13 -147.6(4) . . . . ?
B15 C5 B14 B13 66.5(5) . . . . ?
B19 C5 B14 B13 101.4(4) . . . . ?
C6 C5 B14 B13 -37.8(4) . . . . ?
B11 C5 B14 B13 -0.9(6) . . . . ?
C4 C5 B14 C6 -109.8(4) . . . . ?
B15 C5 B14 C6 104.3(5) . . . . ?
B19 C5 B14 C6 139.2(4) . . . . ?
B11 C5 B14 C6 36.9(4) . . . . ?
B18 B13 B14 C5 -97.7(5) . . . . ?
B17 B13 B14 C5 -58.8(6) . . . . ?
C6 B13 B14 C5 36.0(4) . . . . ?
B12 B13 B14 C5 2.7(6) . . . . ?
B18 B13 B14 B19 -37.8(5) . . . . ?
B17 B13 B14 B19 1.0(6) . . . . ?
C6 B13 B14 B19 95.8(4) . . . . ?
B12 B13 B14 B19 62.6(6) . . . . ?
B17 B13 B14 B18 38.8(5) . . . . ?
C6 B13 B14 B18 133.7(5) . . . . ?
B12 B13 B14 B18 100.4(6) . . . . ?
B18 B13 B14 C6 -133.7(5) . . . . ?
B17 B13 B14 C6 -94.8(5) . . . . ?
B12 B13 B14 C6 -33.3(5) . . . . ?
B12 C6 B14 C5 -101.4(5) . . . . ?
B11 C6 B14 C5 -34.5(3) . . . . ?
B13 C6 B14 C5 -137.0(4) . . . . ?
C5 C6 B14 B19 34.4(3) . . . . ?
B12 C6 B14 B19 -66.9(5) . . . . ?
B11 C6 B14 B19 -0.1(5) . . . . ?
B13 C6 B14 B19 -102.6(4) . . . . ?
C5 C6 B14 B18 97.3(4) . . . . ?
B12 C6 B14 B18 -4.0(6) . . . . ?
B11 C6 B14 B18 62.8(5) . . . . ?
B13 C6 B14 B18 -39.7(4) . . . . ?
C5 C6 B14 B13 137.0(4) . . . . ?
B12 C6 B14 B13 35.7(5) . . . . ?
B11 C6 B14 B13 102.5(4) . . . . ?
C13 C14 C15 C16 -3.0(6) . . . . ?
C13 C14 C15 C18 -179.9(4) . . . . ?
C4 C5 B15 B19 -110.0(4) . . . . ?
C6 C5 B15 B19 105.0(4) . . . . ?
B11 C5 B15 B19 142.5(4) . . . . ?
B14 C5 B15 B19 35.6(4) . . . . ?
C4 C5 B15 B11 107.5(4) . . . . ?
B19 C5 B15 B11 -142.5(4) . . . . ?
C6 C5 B15 B11 -37.5(4) . . . . ?
B14 C5 B15 B11 -106.9(4) . . . . ?
C4 C5 B15 B20 -150.2(5) . . . . ?
B19 C5 B15 B20 -40.2(6) . . . . ?
C6 C5 B15 B20 64.8(8) . . . . ?
B11 C5 B15 B20 102.3(6) . . . . ?
B14 C5 B15 B20 -4.6(8) . . . . ?
C4 C5 B15 B16 145.5(5) . . . . ?
B19 C5 B15 B16 -104.5(6) . . . . ?
C6 C5 B15 B16 0.5(7) . . . . ?
B11 C5 B15 B16 38.1(5) . . . . ?
B14 C5 B15 B16 -68.8(7) . . . . ?
C6 B11 B15 C5 35.2(3) . . . . ?
B16 B11 B15 C5 137.1(4) . . . . ?
B12 B11 B15 C5 97.2(5) . . . . ?
C5 B11 B15 B19 -34.4(3) . . . . ?
C6 B11 B15 B19 0.9(5) . . . . ?
B16 B11 B15 B19 102.7(5) . . . . ?
B12 B11 B15 B19 62.9(6) . . . . ?
C5 B11 B15 B20 -99.7(6) . . . . ?
C6 B11 B15 B20 -64.5(6) . . . . ?
B16 B11 B15 B20 37.4(5) . . . . ?
B12 B11 B15 B20 -2.4(8) . . . . ?
C5 B11 B15 B16 -137.1(4) . . . . ?
C6 B11 B15 B16 -101.8(4) . . . . ?
B12 B11 B15 B16 -39.8(5) . . . . ?
C14 C15 C16 C17 3.3(6) . . . . ?
C18 C15 C16 C17 -179.8(4) . . . . ?
C5 B11 B16 B17 -62.4(8) . . . . ?
B15 B11 B16 B17 -99.9(7) . . . . ?
C6 B11 B16 B17 -0.2(8) . . . . ?
B12 B11 B16 B17 36.6(5) . . . . ?
C5 B11 B16 B15 37.4(4) . . . . ?
C6 B11 B16 B15 99.7(5) . . . . ?
B12 B11 B16 B15 136.4(6) . . . . ?
C5 B11 B16 B20 1.4(7) . . . . ?
B15 B11 B16 B20 -36.1(5) . . . . ?
C6 B11 B16 B20 63.6(7) . . . . ?
B12 B11 B16 B20 100.4(6) . . . . ?
C5 B11 B16 B12 -99.0(6) . . . . ?
B15 B11 B16 B12 -136.4(6) . . . . ?
C6 B11 B16 B12 -36.8(6) . . . . ?
C5 B15 B16 B17 62.2(8) . . . . ?
B19 B15 B16 B17 -1.9(8) . . . . ?
B11 B15 B16 B17 100.4(7) . . . . ?
B20 B15 B16 B17 -38.6(5) . . . . ?
C5 B15 B16 B11 -38.1(5) . . . . ?
B19 B15 B16 B11 -102.3(5) . . . . ?
B20 B15 B16 B11 -139.0(5) . . . . ?
C5 B15 B16 B20 100.9(6) . . . . ?
B19 B15 B16 B20 36.7(6) . . . . ?
B11 B15 B16 B20 139.0(5) . . . . ?
C5 B15 B16 B12 0.6(8) . . . . ?
B19 B15 B16 B12 -63.5(8) . . . . ?
B11 B15 B16 B12 38.8(6) . . . . ?
B20 B15 B16 B12 -100.2(6) . . . . ?
C6 B12 B16 B17 -102.1(6) . . . . ?
B11 B12 B16 B17 -138.3(5) . . . . ?
B13 B12 B16 B17 -38.2(4) . . . . ?
C6 B12 B16 B11 36.2(5) . . . . ?
B17 B12 B16 B11 138.3(5) . . . . ?
B13 B12 B16 B11 100.1(5) . . . . ?
C6 B12 B16 B15 -1.5(8) . . . . ?
B17 B12 B16 B15 100.6(7) . . . . ?
B11 B12 B16 B15 -37.7(5) . . . . ?
B13 B12 B16 B15 62.4(7) . . . . ?
C6 B12 B16 B20 -63.7(6) . . . . ?
B17 B12 B16 B20 38.4(4) . . . . ?
B11 B12 B16 B20 -99.9(5) . . . . ?
B13 B12 B16 B20 0.2(6) . . . . ?
C13 N1 C17 C16 0.5(5) . . . . ?
Cu1 N1 C17 C16 178.7(3) . . . . ?
C15 C16 C17 N1 -2.1(6) . . . . ?
C6 B12 B17 B16 97.4(5) . . . . ?
B11 B12 B17 B16 35.8(5) . . . . ?
B13 B12 B17 B16 136.5(4) . . . . ?
C6 B12 B17 B13 -39.0(5) . . . . ?
B11 B12 B17 B13 -100.6(5) . . . . ?
B16 B12 B17 B13 -136.5(4) . . . . ?
C6 B12 B17 B20 57.8(8) . . . . ?
B11 B12 B17 B20 -3.8(8) . . . . ?
B16 B12 B17 B20 -39.6(5) . . . . ?
B13 B12 B17 B20 96.8(6) . . . . ?
C6 B12 B17 B18 -2.2(7) . . . . ?
B11 B12 B17 B18 -63.8(7) . . . . ?
B16 B12 B17 B18 -99.6(5) . . . . ?
B13 B12 B17 B18 36.8(4) . . . . ?
B11 B16 B17 B12 -37.5(6) . . . . ?
B15 B16 B17 B12 -99.0(6) . . . . ?
B20 B16 B17 B12 -137.0(5) . . . . ?
B11 B16 B17 B13 3.2(9) . . . . ?
B15 B16 B17 B13 -58.3(8) . . . . ?
B20 B16 B17 B13 -96.3(6) . . . . ?
B12 B16 B17 B13 40.7(5) . . . . ?
B11 B16 B17 B20 99.5(6) . . . . ?
B15 B16 B17 B20 38.0(5) . . . . ?
B12 B16 B17 B20 137.0(5) . . . . ?
B11 B16 B17 B18 64.4(8) . . . . ?
B15 B16 B17 B18 2.9(8) . . . . ?
B20 B16 B17 B18 -35.1(5) . . . . ?
B12 B16 B17 B18 101.9(5) . . . . ?
B18 B13 B17 B12 137.6(4) . . . . ?
B14 B13 B17 B12 99.6(5) . . . . ?
C6 B13 B17 B12 36.0(4) . . . . ?
B18 B13 B17 B16 96.8(6) . . . . ?
B14 B13 B17 B16 58.8(8) . . . . ?
C6 B13 B17 B16 -4.7(7) . . . . ?
B12 B13 B17 B16 -40.8(6) . . . . ?
B18 B13 B17 B20 32.3(5) . . . . ?
B14 B13 B17 B20 -5.7(7) . . . . ?
C6 B13 B17 B20 -69.3(7) . . . . ?
B12 B13 B17 B20 -105.3(6) . . . . ?
B14 B13 B17 B18 -38.0(4) . . . . ?
C6 B13 B17 B18 -101.5(4) . . . . ?
B12 B13 B17 B18 -137.6(4) . . . . ?
C16 C15 C18 F2 143.3(17) . . . . ?
C14 C15 C18 F2 -39.9(19) . . . . ?
C16 C15 C18 F1 15(2) . . . . ?
C14 C15 C18 F1 -168(2) . . . . ?
C16 C15 C18 F3' -168(2) . . . . ?
C14 C15 C18 F3' 9(2) . . . . ?
C16 C15 C18 F1' -38.3(17) . . . . ?
C14 C15 C18 F1' 138.5(16) . . . . ?
C16 C15 C18 F3 -104.7(15) . . . . ?
C14 C15 C18 F3 72.1(16) . . . . ?
C16 C15 C18 F2' 78.9(12) . . . . ?
C14 C15 C18 F2' -104.3(11) . . . . ?
B17 B13 B18 B20 -35.7(4) . . . . ?
B14 B13 B18 B20 102.2(4) . . . . ?
C6 B13 B18 B20 61.0(6) . . . . ?
B12 B13 B18 B20 1.2(5) . . . . ?
B17 B13 B18 B14 -137.9(4) . . . . ?
C6 B13 B18 B14 -41.2(4) . . . . ?
B12 B13 B18 B14 -101.0(4) . . . . ?
B17 B13 B18 B19 -100.4(6) . . . . ?
B14 B13 B18 B19 37.6(4) . . . . ?
C6 B13 B18 B19 -3.7(7) . . . . ?
B12 B13 B18 B19 -63.5(6) . . . . ?
B14 B13 B18 B17 137.9(4) . . . . ?
C6 B13 B18 B17 96.7(5) . . . . ?
B12 B13 B18 B17 36.9(4) . . . . ?
C5 B14 B18 B20 -4.7(8) . . . . ?
B19 B14 B18 B20 34.2(6) . . . . ?
B13 B14 B18 B20 -103.8(7) . . . . ?
C6 B14 B18 B20 -63.2(7) . . . . ?
C5 B14 B18 B13 99.0(4) . . . . ?
B19 B14 B18 B13 137.9(5) . . . . ?
C6 B14 B18 B13 40.6(4) . . . . ?
C5 B14 B18 B19 -38.9(4) . . . . ?
B13 B14 B18 B19 -137.9(5) . . . . ?
C6 B14 B18 B19 -97.4(4) . . . . ?
C5 B14 B18 B17 61.0(6) . . . . ?
B19 B14 B18 B17 99.9(6) . . . . ?
B13 B14 B18 B17 -38.0(4) . . . . ?
C6 B14 B18 B17 2.6(6) . . . . ?
B12 B17 B18 B20 102.9(5) . . . . ?
B16 B17 B18 B20 37.3(5) . . . . ?
B13 B17 B18 B20 141.8(5) . . . . ?
B12 B17 B18 B13 -38.8(5) . . . . ?
B16 B17 B18 B13 -104.5(6) . . . . ?
B20 B17 B18 B13 -141.8(5) . . . . ?
B12 B17 B18 B14 -0.3(7) . . . . ?
B16 B17 B18 B14 -66.0(7) . . . . ?
B13 B17 B18 B14 38.5(4) . . . . ?
B20 B17 B18 B14 -103.3(5) . . . . ?
B12 B17 B18 B19 62.8(6) . . . . ?
B16 B17 B18 B19 -2.9(7) . . . . ?
B13 B17 B18 B19 101.6(5) . . . . ?
B20 B17 B18 B19 -40.1(5) . . . . ?
C23 N2 C19 C20 0.6(11) . . . . ?
Cu2 N2 C19 C20 -179.6(7) . . . . ?
B11 B15 B19 C5 34.2(3) . . . . ?
B20 B15 B19 C5 135.3(5) . . . . ?
B16 B15 B19 C5 98.6(6) . . . . ?
C5 B15 B19 B20 -135.3(5) . . . . ?
B11 B15 B19 B20 -101.1(5) . . . . ?
B16 B15 B19 B20 -36.7(5) . . . . ?
C5 B15 B19 B14 -35.2(3) . . . . ?
B11 B15 B19 B14 -1.0(5) . . . . ?
B20 B15 B19 B14 100.1(5) . . . . ?
B16 B15 B19 B14 63.5(6) . . . . ?
C5 B15 B19 B18 -98.5(4) . . . . ?
B11 B15 B19 B18 -64.3(5) . . . . ?
B20 B15 B19 B18 36.8(5) . . . . ?
B16 B15 B19 B18 0.1(7) . . . . ?
C4 C5 B19 B15 109.1(4) . . . . ?
C6 C5 B19 B15 -102.3(4) . . . . ?
B11 C5 B19 B15 -35.1(4) . . . . ?
B14 C5 B19 B15 -141.9(4) . . . . ?
C4 C5 B19 B20 150.0(4) . . . . ?
B15 C5 B19 B20 40.9(4) . . . . ?
C6 C5 B19 B20 -61.3(6) . . . . ?
B11 C5 B19 B20 5.8(6) . . . . ?
B14 C5 B19 B20 -101.0(4) . . . . ?
C4 C5 B19 B14 -109.0(3) . . . . ?
B15 C5 B19 B14 141.9(4) . . . . ?
C6 C5 B19 B14 39.7(4) . . . . ?
B11 C5 B19 B14 106.8(4) . . . . ?
C4 C5 B19 B18 -149.5(4) . . . . ?
B15 C5 B19 B18 101.4(5) . . . . ?
C6 C5 B19 B18 -0.8(6) . . . . ?
B11 C5 B19 B18 66.3(6) . . . . ?
B14 C5 B19 B18 -40.5(4) . . . . ?
C5 B14 B19 B15 34.6(3) . . . . ?
B18 B14 B19 B15 -99.0(5) . . . . ?
B13 B14 B19 B15 -62.1(5) . . . . ?
C6 B14 B19 B15 0.6(5) . . . . ?
B18 B14 B19 C5 -133.6(5) . . . . ?
B13 B14 B19 C5 -96.8(4) . . . . ?
C6 B14 B19 C5 -34.0(3) . . . . ?
C5 B14 B19 B20 101.1(6) . . . . ?
B18 B14 B19 B20 -32.5(6) . . . . ?
B13 B14 B19 B20 4.3(7) . . . . ?
C6 B14 B19 B20 67.1(6) . . . . ?
C5 B14 B19 B18 133.6(5) . . . . ?
B13 B14 B19 B18 36.8(5) . . . . ?
C6 B14 B19 B18 99.6(4) . . . . ?
B20 B18 B19 B15 -38.9(7) . . . . ?
B13 B18 B19 B15 65.5(6) . . . . ?
B14 B18 B19 B15 103.8(5) . . . . ?
B17 B18 B19 B15 1.7(6) . . . . ?
B20 B18 B19 C5 -101.5(7) . . . . ?
B13 B18 B19 C5 2.9(7) . . . . ?
B14 B18 B19 C5 41.2(4) . . . . ?
B17 B18 B19 C5 -60.9(6) . . . . ?
B13 B18 B19 B20 104.4(7) . . . . ?
B14 B18 B19 B20 142.7(7) . . . . ?
B17 B18 B19 B20 40.6(6) . . . . ?
B20 B18 B19 B14 -142.7(7) . . . . ?
B13 B18 B19 B14 -38.3(5) . . . . ?
B17 B18 B19 B14 -102.1(6) . . . . ?
N2 C19 C20 C21 2.9(14) . . . . ?
B13 B18 B20 B19 -100.0(5) . . . . ?
B14 B18 B20 B19 -33.8(6) . . . . ?
B17 B18 B20 B19 -135.1(5) . . . . ?
B13 B18 B20 B15 -63.9(8) . . . . ?
B14 B18 B20 B15 2.2(10) . . . . ?
B19 B18 B20 B15 36.0(6) . . . . ?
B17 B18 B20 B15 -99.1(8) . . . . ?
B13 B18 B20 B17 35.2(4) . . . . ?
B14 B18 B20 B17 101.3(6) . . . . ?
B19 B18 B20 B17 135.1(5) . . . . ?
B13 B18 B20 B16 -1.1(6) . . . . ?
B14 B18 B20 B16 65.0(7) . . . . ?
B19 B18 B20 B16 98.9(5) . . . . ?
B17 B18 B20 B16 -36.3(5) . . . . ?
B15 B19 B20 B18 137.5(6) . . . . ?
C5 B19 B20 B18 97.8(5) . . . . ?
B14 B19 B20 B18 33.3(6) . . . . ?
C5 B19 B20 B15 -39.7(4) . . . . ?
B14 B19 B20 B15 -104.2(5) . . . . ?
B18 B19 B20 B15 -137.5(6) . . . . ?
B15 B19 B20 B17 96.2(8) . . . . ?
C5 B19 B20 B17 56.5(8) . . . . ?
B14 B19 B20 B17 -8.0(9) . . . . ?
B18 B19 B20 B17 -41.4(5) . . . . ?
B15 B19 B20 B16 35.0(5) . . . . ?
C5 B19 B20 B16 -4.6(6) . . . . ?
B14 B19 B20 B16 -69.2(7) . . . . ?
B18 B19 B20 B16 -102.5(6) . . . . ?
C5 B15 B20 B18 1.4(9) . . . . ?
B19 B15 B20 B18 -38.4(6) . . . . ?
B11 B15 B20 B18 65.0(9) . . . . ?
B16 B15 B20 B18 101.9(7) . . . . ?
C5 B15 B20 B19 39.9(5) . . . . ?
B11 B15 B20 B19 103.4(5) . . . . ?
B16 B15 B20 B19 140.3(5) . . . . ?
C5 B15 B20 B17 -63.4(8) . . . . ?
B19 B15 B20 B17 -103.3(6) . . . . ?
B11 B15 B20 B17 0.1(8) . . . . ?
B16 B15 B20 B17 37.0(5) . . . . ?
C5 B15 B20 B16 -100.4(6) . . . . ?
B19 B15 B20 B16 -140.3(5) . . . . ?
B11 B15 B20 B16 -36.9(6) . . . . ?
B12 B17 B20 B18 -98.4(6) . . . . ?
B16 B17 B20 B18 -138.5(5) . . . . ?
B13 B17 B20 B18 -32.8(5) . . . . ?
B12 B17 B20 B19 -57.1(9) . . . . ?
B16 B17 B20 B19 -97.2(6) . . . . ?
B13 B17 B20 B19 8.4(9) . . . . ?
B18 B17 B20 B19 41.3(6) . . . . ?
B12 B17 B20 B15 2.4(8) . . . . ?
B16 B17 B20 B15 -37.8(5) . . . . ?
B13 B17 B20 B15 67.9(8) . . . . ?
B18 B17 B20 B15 100.8(5) . . . . ?
B12 B17 B20 B16 40.2(6) . . . . ?
B13 B17 B20 B16 105.7(6) . . . . ?
B18 B17 B20 B16 138.5(5) . . . . ?
B17 B16 B20 B18 38.0(4) . . . . ?
B11 B16 B20 B18 -63.2(6) . . . . ?
B15 B16 B20 B18 -98.8(4) . . . . ?
B12 B16 B20 B18 0.5(6) . . . . ?
B17 B16 B20 B19 103.2(5) . . . . ?
B11 B16 B20 B19 2.0(7) . . . . ?
B15 B16 B20 B19 -33.7(4) . . . . ?
B12 B16 B20 B19 65.6(6) . . . . ?
B17 B16 B20 B15 136.9(5) . . . . ?
B11 B16 B20 B15 35.7(4) . . . . ?
B12 B16 B20 B15 99.4(5) . . . . ?
B11 B16 B20 B17 -101.2(6) . . . . ?
B15 B16 B20 B17 -136.9(5) . . . . ?
B12 B16 B20 B17 -37.5(4) . . . . ?
C19 C20 C21 C22 -6.0(12) . . . . ?
C19 C20 C21 C24 177.9(7) . . . . ?
C7 C8 B21 C9 108.0(3) . . . . ?
B24 C8 B21 C9 -34.0(4) . . . . ?
B29 C8 B21 C9 -101.4(4) . . . . ?
B25 C8 B21 C9 -138.0(4) . . . . ?
C7 C8 B21 B26 -153.9(3) . . . . ?
B24 C8 B21 B26 64.1(4) . . . . ?
C9 C8 B21 B26 98.0(4) . . . . ?
B29 C8 B21 B26 -3.3(5) . . . . ?
B25 C8 B21 B26 -39.9(3) . . . . ?
C7 C8 B21 B25 -114.0(3) . . . . ?
B24 C8 B21 B25 104.0(4) . . . . ?
C9 C8 B21 B25 138.0(4) . . . . ?
B29 C8 B21 B25 36.6(4) . . . . ?
C7 C8 B21 B22 144.7(3) . . . . ?
B24 C8 B21 B22 2.7(4) . . . . ?
C9 C8 B21 B22 36.6(3) . . . . ?
B29 C8 B21 B22 -64.7(4) . . . . ?
B25 C8 B21 B22 -101.3(3) . . . . ?
B24 C9 B21 C8 33.0(3) . . . . ?
B23 C9 B21 C8 100.0(5) . . . . ?
B22 C9 B21 C8 136.3(4) . . . . ?
C8 C9 B21 B26 -98.0(3) . . . . ?
B24 C9 B21 B26 -65.0(4) . . . . ?
B23 C9 B21 B26 2.0(6) . . . . ?
B22 C9 B21 B26 38.2(3) . . . . ?
C8 C9 B21 B25 -36.3(3) . . . . ?
B24 C9 B21 B25 -3.3(4) . . . . ?
B23 C9 B21 B25 63.7(5) . . . . ?
B22 C9 B21 B25 100.0(3) . . . . ?
C8 C9 B21 B22 -136.3(4) . . . . ?
B24 C9 B21 B22 -103.3(4) . . . . ?
B23 C9 B21 B22 -36.3(4) . . . . ?
C20 C21 C22 C23 5.8(8) . . . . ?
C24 C21 C22 C23 -178.1(5) . . . . ?
C8 C9 B22 B23 -102.3(5) . . . . ?
B24 C9 B22 B23 -38.8(4) . . . . ?
B21 C9 B22 B23 -141.8(4) . . . . ?
C8 C9 B22 B27 -61.8(5) . . . . ?
B24 C9 B22 B27 1.8(5) . . . . ?
B23 C9 B22 B27 40.5(4) . . . . ?
B21 C9 B22 B27 -101.3(4) . . . . ?
C8 C9 B22 B26 0.9(6) . . . . ?
B24 C9 B22 B26 64.4(5) . . . . ?
B23 C9 B22 B26 103.2(4) . . . . ?
B21 C9 B22 B26 -38.7(4) . . . . ?
C8 C9 B22 B21 39.5(3) . . . . ?
B24 C9 B22 B21 103.1(4) . . . . ?
B23 C9 B22 B21 141.8(4) . . . . ?
C8 B21 B22 C9 -36.8(3) . . . . ?
B26 B21 B22 C9 -135.9(4) . . . . ?
B25 B21 B22 C9 -97.5(4) . . . . ?
C8 B21 B22 B23 -2.8(5) . . . . ?
C9 B21 B22 B23 34.0(4) . . . . ?
B26 B21 B22 B23 -101.9(4) . . . . ?
B25 B21 B22 B23 -63.5(5) . . . . ?
C8 B21 B22 B27 62.6(4) . . . . ?
C9 B21 B22 B27 99.4(4) . . . . ?
B26 B21 B22 B27 -36.5(4) . . . . ?
B25 B21 B22 B27 1.9(5) . . . . ?
C8 B21 B22 B26 99.0(3) . . . . ?
C9 B21 B22 B26 135.9(4) . . . . ?
B25 B21 B22 B26 38.4(3) . . . . ?
C19 N2 C23 C22 -0.9(7) . . . . ?
Cu2 N2 C23 C22 179.3(3) . . . . ?
C21 C22 C23 N2 -2.4(6) . . . . ?
C8 C9 B23 B24 -36.3(4) . . . . ?
B22 C9 B23 B24 -138.3(4) . . . . ?
B21 C9 B23 B24 -101.5(4) . . . . ?
C8 C9 B23 B22 102.0(4) . . . . ?
B24 C9 B23 B22 138.3(4) . . . . ?
B21 C9 B23 B22 36.8(4) . . . . ?
C8 C9 B23 B28 1.5(6) . . . . ?
B24 C9 B23 B28 37.8(4) . . . . ?
B22 C9 B23 B28 -100.4(5) . . . . ?
B21 C9 B23 B28 -63.7(6) . . . . ?
C8 C9 B23 B27 62.5(5) . . . . ?
B24 C9 B23 B27 98.8(5) . . . . ?
B22 C9 B23 B27 -39.4(4) . . . . ?
B21 C9 B23 B27 -2.7(6) . . . . ?
B27 B22 B23 C9 -135.0(4) . . . . ?
B26 B22 B23 C9 -97.7(4) . . . . ?
B21 B22 B23 C9 -34.4(4) . . . . ?
C9 B22 B23 B24 36.5(4) . . . . ?
B27 B22 B23 B24 -98.5(5) . . . . ?
B26 B22 B23 B24 -61.2(5) . . . . ?
B21 B22 B23 B24 2.1(6) . . . . ?
C9 B22 B23 B28 98.5(4) . . . . ?
B27 B22 B23 B28 -36.6(4) . . . . ?
B26 B22 B23 B28 0.8(5) . . . . ?
B21 B22 B23 B28 64.0(4) . . . . ?
C9 B22 B23 B27 135.0(4) . . . . ?
B26 B22 B23 B27 37.3(3) . . . . ?
B21 B22 B23 B27 100.6(4) . . . . ?
C22 C21 C24 F5' 139.7(11) . . . . ?
C20 C21 C24 F5' -44.4(14) . . . . ?
C22 C21 C24 F4' 16(3) . . . . ?
C20 C21 C24 F4' -168(2) . . . . ?
C22 C21 C24 F4 -61.2(14) . . . . ?
C20 C21 C24 F4 114.8(13) . . . . ?
C22 C21 C24 F5 59.1(16) . . . . ?
C20 C21 C24 F5 -124.9(16) . . . . ?
C22 C21 C24 F6' -116.8(19) . . . . ?
C20 C21 C24 F6' 59(2) . . . . ?
C22 C21 C24 F6 -180(2) . . . . ?
C20 C21 C24 F6 -4(2) . . . . ?
C7 C8 B24 C9 -107.4(3) . . . . ?
B29 C8 B24 C9 141.2(3) . . . . ?
B25 C8 B24 C9 102.7(3) . . . . ?
B21 C8 B24 C9 34.6(3) . . . . ?
C7 C8 B24 B29 111.4(3) . . . . ?
C9 C8 B24 B29 -141.2(3) . . . . ?
B25 C8 B24 B29 -38.5(3) . . . . ?
B21 C8 B24 B29 -106.6(3) . . . . ?
C7 C8 B24 B23 -143.6(4) . . . . ?
C9 C8 B24 B23 -36.1(4) . . . . ?
B29 C8 B24 B23 105.1(5) . . . . ?
B25 C8 B24 B23 66.6(5) . . . . ?
B21 C8 B24 B23 -1.5(5) . . . . ?
C7 C8 B24 B28 150.8(4) . . . . ?
C9 C8 B24 B28 -101.8(4) . . . . ?
B29 C8 B24 B28 39.4(4) . . . . ?
B25 C8 B24 B28 0.9(5) . . . . ?
B21 C8 B24 B28 -67.2(5) . . . . ?
B23 C9 B24 C8 -139.6(4) . . . . ?
B22 C9 B24 C8 -100.9(4) . . . . ?
B21 C9 B24 C8 -33.4(3) . . . . ?
C8 C9 B24 B29 35.3(3) . . . . ?
B23 C9 B24 B29 -104.3(4) . . . . ?
B22 C9 B24 B29 -65.6(5) . . . . ?
B21 C9 B24 B29 2.0(5) . . . . ?
C8 C9 B24 B23 139.6(4) . . . . ?
B22 C9 B24 B23 38.7(4) . . . . ?
B21 C9 B24 B23 106.2(4) . . . . ?
C8 C9 B24 B28 99.7(5) . . . . ?
B23 C9 B24 B28 -39.9(5) . . . . ?
B22 C9 B24 B28 -1.2(6) . . . . ?
B21 C9 B24 B28 66.3(5) . . . . ?
C9 B23 B24 C8 36.5(4) . . . . ?
B22 B23 B24 C8 -0.4(6) . . . . ?
B28 B23 B24 C8 -100.0(5) . . . . ?
B27 B23 B24 C8 -63.0(5) . . . . ?
B22 B23 B24 C9 -36.9(4) . . . . ?
B28 B23 B24 C9 -136.5(5) . . . . ?
B27 B23 B24 C9 -99.4(4) . . . . ?
C9 B23 B24 B29 100.9(4) . . . . ?
B22 B23 B24 B29 64.1(6) . . . . ?
B28 B23 B24 B29 -35.5(5) . . . . ?
B27 B23 B24 B29 1.5(6) . . . . ?
C9 B23 B24 B28 136.5(5) . . . . ?
B22 B23 B24 B28 99.6(5) . . . . ?
B27 B23 B24 B28 37.0(4) . . . . ?
C7 C8 B25 B30 -149.6(3) . . . . ?
B24 C8 B25 B30 -1.4(5) . . . . ?
C9 C8 B25 B30 64.1(5) . . . . ?
B29 C8 B25 B30 -39.1(4) . . . . ?
B21 C8 B25 B30 103.5(4) . . . . ?
C7 C8 B25 B26 147.1(3) . . . . ?
B24 C8 B25 B26 -64.7(4) . . . . ?
C9 C8 B25 B26 0.8(5) . . . . ?
B29 C8 B25 B26 -102.3(4) . . . . ?
B21 C8 B25 B26 40.2(3) . . . . ?
C7 C8 B25 B29 -110.5(3) . . . . ?
B24 C8 B25 B29 37.7(3) . . . . ?
C9 C8 B25 B29 103.2(4) . . . . ?
B21 C8 B25 B29 142.6(3) . . . . ?
C7 C8 B25 B21 106.9(3) . . . . ?
B24 C8 B25 B21 -104.9(3) . . . . ?
C9 C8 B25 B21 -39.4(4) . . . . ?
B29 C8 B25 B21 -142.6(3) . . . . ?
C9 B21 B25 C8 35.8(3) . . . . ?
B26 B21 B25 C8 133.9(4) . . . . ?
B22 B21 B25 C8 95.5(3) . . . . ?
C8 B21 B25 B30 -97.6(4) . . . . ?
C9 B21 B25 B30 -61.8(5) . . . . ?
B26 B21 B25 B30 36.3(4) . . . . ?
B22 B21 B25 B30 -2.1(5) . . . . ?
C8 B21 B25 B26 -133.9(4) . . . . ?
C9 B21 B25 B26 -98.0(4) . . . . ?
B22 B21 B25 B26 -38.3(3) . . . . ?
C8 B21 B25 B29 -32.5(3) . . . . ?
C9 B21 B25 B29 3.3(4) . . . . ?
B26 B21 B25 B29 101.3(4) . . . . ?
B22 B21 B25 B29 63.0(4) . . . . ?
C8 B25 B26 B27 62.8(5) . . . . ?
B30 B25 B26 B27 -37.7(4) . . . . ?
B29 B25 B26 B27 2.6(5) . . . . ?
B21 B25 B26 B27 102.6(4) . . . . ?
C8 B25 B26 B21 -39.8(3) . . . . ?
B30 B25 B26 B21 -140.3(5) . . . . ?
B29 B25 B26 B21 -100.1(4) . . . . ?
C8 B25 B26 B22 -0.3(5) . . . . ?
B30 B25 B26 B22 -100.8(5) . . . . ?
B29 B25 B26 B22 -60.5(5) . . . . ?
B21 B25 B26 B22 39.5(4) . . . . ?
C8 B25 B26 B30 100.5(4) . . . . ?
B29 B25 B26 B30 40.2(4) . . . . ?
B21 B25 B26 B30 140.3(5) . . . . ?
C8 B21 B26 B27 -60.1(4) . . . . ?
C9 B21 B26 B27 -0.4(5) . . . . ?
B25 B21 B26 B27 -99.5(4) . . . . ?
B22 B21 B26 B27 36.8(4) . . . . ?
C8 B21 B26 B25 39.4(3) . . . . ?
C9 B21 B26 B25 99.1(4) . . . . ?
B22 B21 B26 B25 136.3(4) . . . . ?
C8 B21 B26 B22 -96.9(3) . . . . ?
C9 B21 B26 B22 -37.2(4) . . . . ?
B25 B21 B26 B22 -136.3(4) . . . . ?
C8 B21 B26 B30 4.0(5) . . . . ?
C9 B21 B26 B30 63.7(5) . . . . ?
B25 B21 B26 B30 -35.4(4) . . . . ?
B22 B21 B26 B30 100.9(5) . . . . ?
C9 B22 B26 B27 -100.2(4) . . . . ?
B23 B22 B26 B27 -38.2(3) . . . . ?
B21 B22 B26 B27 -139.1(4) . . . . ?
C9 B22 B26 B25 -0.4(6) . . . . ?
B23 B22 B26 B25 61.7(5) . . . . ?
B27 B22 B26 B25 99.8(4) . . . . ?
B21 B22 B26 B25 -39.3(3) . . . . ?
C9 B22 B26 B21 38.9(4) . . . . ?
B23 B22 B26 B21 100.9(3) . . . . ?
B27 B22 B26 B21 139.1(4) . . . . ?
C9 B22 B26 B30 -63.0(5) . . . . ?
B23 B22 B26 B30 -1.0(4) . . . . ?
B27 B22 B26 B30 37.2(3) . . . . ?
B21 B22 B26 B30 -101.9(3) . . . . ?
B25 B26 B27 B28 -1.4(6) . . . . ?
B21 B26 B27 B28 62.6(6) . . . . ?
B22 B26 B27 B28 99.9(5) . . . . ?
B30 B26 B27 B28 -38.6(4) . . . . ?
B25 B26 B27 B22 -101.3(4) . . . . ?
B21 B26 B27 B22 -37.3(3) . . . . ?
B30 B26 B27 B22 -138.6(4) . . . . ?
B25 B26 B27 B30 37.2(4) . . . . ?
B21 B26 B27 B30 101.2(4) . . . . ?
B22 B26 B27 B30 138.6(4) . . . . ?
B25 B26 B27 B23 -65.1(5) . . . . ?
B21 B26 B27 B23 -1.1(5) . . . . ?
B22 B26 B27 B23 36.2(4) . . . . ?
B30 B26 B27 B23 -102.4(4) . . . . ?
C9 B22 B27 B28 -1.6(6) . . . . ?
B23 B22 B27 B28 37.5(5) . . . . ?
B26 B22 B27 B28 -101.1(5) . . . . ?
B21 B22 B27 B28 -64.7(6) . . . . ?
C9 B22 B27 B26 99.4(4) . . . . ?
B23 B22 B27 B26 138.6(4) . . . . ?
B21 B22 B27 B26 36.3(3) . . . . ?
C9 B22 B27 B30 62.0(6) . . . . ?
B23 B22 B27 B30 101.2(5) . . . . ?
B26 B22 B27 B30 -37.4(4) . . . . ?
B21 B22 B27 B30 -1.1(6) . . . . ?
C9 B22 B27 B23 -39.1(4) . . . . ?
B26 B22 B27 B23 -138.6(4) . . . . ?
B21 B22 B27 B23 -102.3(4) . . . . ?
C9 B23 B27 B28 -98.6(5) . . . . ?
B24 B23 B27 B28 -37.3(4) . . . . ?
B22 B23 B27 B28 -138.0(4) . . . . ?
C9 B23 B27 B26 2.3(6) . . . . ?
B24 B23 B27 B26 63.6(5) . . . . ?
B22 B23 B27 B26 -37.1(4) . . . . ?
B28 B23 B27 B26 100.9(5) . . . . ?
C9 B23 B27 B22 39.3(4) . . . . ?
B24 B23 B27 B22 100.7(4) . . . . ?
B28 B23 B27 B22 138.0(4) . . . . ?
C9 B23 B27 B30 -61.5(6) . . . . ?
B24 B23 B27 B30 -0.2(6) . . . . ?
B22 B23 B27 B30 -100.9(4) . . . . ?
B28 B23 B27 B30 37.1(4) . . . . ?
C8 B24 B28 B29 -39.3(3) . . . . ?
C9 B24 B28 B29 -103.0(4) . . . . ?
B23 B24 B28 B29 -141.7(4) . . . . ?
C8 B24 B28 B27 63.8(6) . . . . ?
C9 B24 B28 B27 0.2(7) . . . . ?
B29 B24 B28 B27 103.1(6) . . . . ?
B23 B24 B28 B27 -38.6(5) . . . . ?
C8 B24 B28 B30 0.0(6) . . . . ?
C9 B24 B28 B30 -63.7(6) . . . . ?
B29 B24 B28 B30 39.2(4) . . . . ?
B23 B24 B28 B30 -102.4(5) . . . . ?
C8 B24 B28 B23 102.4(4) . . . . ?
C9 B24 B28 B23 38.7(4) . . . . ?
B29 B24 B28 B23 141.7(4) . . . . ?
B26 B27 B28 B29 -0.3(7) . . . . ?
B22 B27 B28 B29 63.3(7) . . . . ?
B30 B27 B28 B29 -39.0(5) . . . . ?
B23 B27 B28 B29 99.9(5) . . . . ?
B26 B27 B28 B24 -62.7(7) . . . . ?
B22 B27 B28 B24 0.9(7) . . . . ?
B30 B27 B28 B24 -101.4(5) . . . . ?
B23 B27 B28 B24 37.5(4) . . . . ?
B26 B27 B28 B30 38.6(4) . . . . ?
B22 B27 B28 B30 102.3(5) . . . . ?
B23 B27 B28 B30 138.9(4) . . . . ?
B26 B27 B28 B23 -100.3(5) . . . . ?
B22 B27 B28 B23 -36.6(4) . . . . ?
B30 B27 B28 B23 -138.9(4) . . . . ?
C9 B23 B28 B29 -3.8(7) . . . . ?
B24 B23 B28 B29 33.9(4) . . . . ?
B22 B23 B28 B29 -66.1(6) . . . . ?
B27 B23 B28 B29 -103.2(6) . . . . ?
C9 B23 B28 B24 -37.7(4) . . . . ?
B22 B23 B28 B24 -100.0(4) . . . . ?
B27 B23 B28 B24 -137.1(4) . . . . ?
C9 B23 B28 B27 99.4(4) . . . . ?
B24 B23 B28 B27 137.1(4) . . . . ?
B22 B23 B28 B27 37.1(4) . . . . ?
C9 B23 B28 B30 62.0(5) . . . . ?
B24 B23 B28 B30 99.7(4) . . . . ?
B22 B23 B28 B30 -0.3(5) . . . . ?
B27 B23 B28 B30 -37.4(4) . . . . ?
C7 C8 B29 B24 -106.9(3) . . . . ?
C9 C8 B29 B24 35.6(3) . . . . ?
B25 C8 B29 B24 139.7(3) . . . . ?
B21 C8 B29 B24 103.4(3) . . . . ?
C7 C8 B29 B28 -146.2(4) . . . . ?
B24 C8 B29 B28 -39.3(4) . . . . ?
C9 C8 B29 B28 -3.7(5) . . . . ?
B25 C8 B29 B28 100.4(5) . . . . ?
B21 C8 B29 B28 64.1(5) . . . . ?
C7 C8 B29 B25 113.4(3) . . . . ?
B24 C8 B29 B25 -139.7(3) . . . . ?
C9 C8 B29 B25 -104.1(3) . . . . ?
B21 C8 B29 B25 -36.3(3) . . . . ?
C7 C8 B29 B30 151.0(4) . . . . ?
B24 C8 B29 B30 -102.1(4) . . . . ?
C9 C8 B29 B30 -66.5(5) . . . . ?
B25 C8 B29 B30 37.6(4) . . . . ?
B21 C8 B29 B30 1.3(6) . . . . ?
C9 B24 B29 C8 -35.4(3) . . . . ?
B23 B24 B29 C8 -99.5(4) . . . . ?
B28 B24 B29 C8 -135.8(4) . . . . ?
C8 B24 B29 B28 135.8(4) . . . . ?
C9 B24 B29 B28 100.4(4) . . . . ?
B23 B24 B29 B28 36.2(4) . . . . ?
C8 B24 B29 B25 35.6(3) . . . . ?
C9 B24 B29 B25 0.2(5) . . . . ?
B23 B24 B29 B25 -63.9(5) . . . . ?
B28 B24 B29 B25 -100.2(4) . . . . ?
C8 B24 B29 B30 97.3(4) . . . . ?
C9 B24 B29 B30 61.9(5) . . . . ?
B23 B24 B29 B30 -2.2(6) . . . . ?
B28 B24 B29 B30 -38.5(4) . . . . ?
B24 B28 B29 C8 38.4(4) . . . . ?
B27 B28 B29 C8 -60.3(7) . . . . ?
B30 B28 B29 C8 -98.6(4) . . . . ?
B23 B28 B29 C8 4.6(6) . . . . ?
B27 B28 B29 B24 -98.7(6) . . . . ?
B30 B28 B29 B24 -137.0(4) . . . . ?
B23 B28 B29 B24 -33.9(4) . . . . ?
B24 B28 B29 B25 100.6(4) . . . . ?
B27 B28 B29 B25 1.9(7) . . . . ?
B30 B28 B29 B25 -36.4(4) . . . . ?
B23 B28 B29 B25 66.7(6) . . . . ?
B24 B28 B29 B30 137.0(4) . . . . ?
B27 B28 B29 B30 38.3(5) . . . . ?
B23 B28 B29 B30 103.2(5) . . . . ?
B30 B25 B29 C8 136.4(4) . . . . ?
B26 B25 B29 C8 96.4(4) . . . . ?
B21 B25 B29 C8 33.1(3) . . . . ?
C8 B25 B29 B24 -35.4(3) . . . . ?
B30 B25 B29 B24 101.0(4) . . . . ?
B26 B25 B29 B24 61.1(4) . . . . ?
B21 B25 B29 B24 -2.2(4) . . . . ?
C8 B25 B29 B28 -99.2(5) . . . . ?
B30 B25 B29 B28 37.2(4) . . . . ?
B26 B25 B29 B28 -2.8(6) . . . . ?
B21 B25 B29 B28 -66.1(5) . . . . ?
C8 B25 B29 B30 -136.4(4) . . . . ?
B26 B25 B29 B30 -39.9(4) . . . . ?
B21 B25 B29 B30 -103.2(4) . . . . ?
C8 B25 B30 B28 1.3(5) . . . . ?
B26 B25 B30 B28 99.6(5) . . . . ?
B29 B25 B30 B28 -36.0(4) . . . . ?
B21 B25 B30 B28 63.6(5) . . . . ?
C8 B25 B30 B27 -60.8(5) . . . . ?
B26 B25 B30 B27 37.4(4) . . . . ?
B29 B25 B30 B27 -98.2(5) . . . . ?
B21 B25 B30 B27 1.5(6) . . . . ?
C8 B25 B30 B26 -98.3(4) . . . . ?
B29 B25 B30 B26 -135.6(5) . . . . ?
B21 B25 B30 B26 -35.9(4) . . . . ?
C8 B25 B30 B29 37.4(3) . . . . ?
B26 B25 B30 B29 135.6(5) . . . . ?
B21 B25 B30 B29 99.7(4) . . . . ?
B29 B28 B30 B25 37.1(4) . . . . ?
B24 B28 B30 B25 -0.8(6) . . . . ?
B27 B28 B30 B25 -100.8(4) . . . . ?
B23 B28 B30 B25 -63.2(5) . . . . ?
B29 B28 B30 B27 137.9(4) . . . . ?
B24 B28 B30 B27 100.0(5) . . . . ?
B23 B28 B30 B27 37.6(4) . . . . ?
B29 B28 B30 B26 100.0(4) . . . . ?
B24 B28 B30 B26 62.1(5) . . . . ?
B27 B28 B30 B26 -37.9(4) . . . . ?
B23 B28 B30 B26 -0.3(5) . . . . ?
B24 B28 B30 B29 -37.9(4) . . . . ?
B27 B28 B30 B29 -137.9(4) . . . . ?
B23 B28 B30 B29 -100.3(4) . . . . ?
B28 B27 B30 B25 99.1(5) . . . . ?
B26 B27 B30 B25 -37.7(4) . . . . ?
B22 B27 B30 B25 -0.2(6) . . . . ?
B23 B27 B30 B25 61.9(6) . . . . ?
B26 B27 B30 B28 -136.8(4) . . . . ?
B22 B27 B30 B28 -99.3(5) . . . . ?
B23 B27 B30 B28 -37.2(4) . . . . ?
B28 B27 B30 B26 136.8(4) . . . . ?
B22 B27 B30 B26 37.5(4) . . . . ?
B23 B27 B30 B26 99.6(4) . . . . ?
B28 B27 B30 B29 36.1(4) . . . . ?
B26 B27 B30 B29 -100.7(4) . . . . ?
B22 B27 B30 B29 -63.2(5) . . . . ?
B23 B27 B30 B29 -1.1(6) . . . . ?
B27 B26 B30 B25 137.7(4) . . . . ?
B21 B26 B30 B25 36.0(4) . . . . ?
B22 B26 B30 B25 100.7(4) . . . . ?
B27 B26 B30 B28 37.8(4) . . . . ?
B25 B26 B30 B28 -100.0(4) . . . . ?
B21 B26 B30 B28 -64.0(5) . . . . ?
B22 B26 B30 B28 0.8(5) . . . . ?
B25 B26 B30 B27 -137.7(4) . . . . ?
B21 B26 B30 B27 -101.8(4) . . . . ?
B22 B26 B30 B27 -37.0(3) . . . . ?
B27 B26 B30 B29 98.4(5) . . . . ?
B25 B26 B30 B29 -39.3(4) . . . . ?
B21 B26 B30 B29 -3.4(6) . . . . ?
B22 B26 B30 B29 61.4(5) . . . . ?
C8 B29 B30 B25 -38.0(4) . . . . ?
B24 B29 B30 B25 -99.5(4) . . . . ?
B28 B29 B30 B25 -138.2(4) . . . . ?
C8 B29 B30 B28 100.3(5) . . . . ?
B24 B29 B30 B28 38.7(4) . . . . ?
B25 B29 B30 B28 138.2(4) . . . . ?
C8 B29 B30 B27 63.5(5) . . . . ?
B24 B29 B30 B27 2.0(5) . . . . ?
B28 B29 B30 B27 -36.7(4) . . . . ?
B25 B29 B30 B27 101.5(4) . . . . ?
C8 B29 B30 B26 1.3(6) . . . . ?
B24 B29 B30 B26 -60.2(6) . . . . ?
B28 B29 B30 B26 -98.9(5) . . . . ?
B25 B29 B30 B26 39.3(4) . . . . ?
C10 C11 B31 C12 -110.5(4) . . . . ?
B35 C11 B31 C12 136.1(4) . . . . ?
B39 C11 B31 C12 99.1(5) . . . . ?
B34 C11 B31 C12 34.8(5) . . . . ?
C10 C11 B31 B32 -147.7(5) . . . . ?
C12 C11 B31 B32 -37.2(6) . . . . ?
B35 C11 B31 B32 98.9(6) . . . . ?
B39 C11 B31 B32 61.9(9) . . . . ?
B34 C11 B31 B32 -2.5(9) . . . . ?
C10 C11 B31 B36 150.9(5) . . . . ?
C12 C11 B31 B36 -98.6(6) . . . . ?
B35 C11 B31 B36 37.5(6) . . . . ?
B39 C11 B31 B36 0.5(8) . . . . ?
B34 C11 B31 B36 -63.8(8) . . . . ?
C10 C11 B31 B35 113.4(4) . . . . ?
C12 C11 B31 B35 -136.1(4) . . . . ?
B39 C11 B31 B35 -37.0(5) . . . . ?
B34 C11 B31 B35 -101.3(6) . . . . ?
B32 C12 B31 C11 -139.1(4) . . . . ?
B34 C12 B31 C11 -33.3(4) . . . . ?
B33 C12 B31 C11 -99.7(6) . . . . ?
C11 C12 B31 B32 139.1(4) . . . . ?
B34 C12 B31 B32 105.8(5) . . . . ?
B33 C12 B31 B32 39.4(6) . . . . ?
C11 C12 B31 B36 98.7(6) . . . . ?
B32 C12 B31 B36 -40.4(6) . . . . ?
B34 C12 B31 B36 65.4(7) . . . . ?
B33 C12 B31 B36 -1.0(9) . . . . ?
C11 C12 B31 B35 37.1(3) . . . . ?
B32 C12 B31 B35 -102.0(4) . . . . ?
B34 C12 B31 B35 3.8(5) . . . . ?
B33 C12 B31 B35 -62.6(6) . . . . ?
C11 C12 B32 B37 65.8(9) . . . . ?
B31 C12 B32 B37 103.3(8) . . . . ?
B34 C12 B32 B37 -0.3(10) . . . . ?
B33 C12 B32 B37 -36.3(6) . . . . ?
C11 C12 B32 B36 4.4(9) . . . . ?
B31 C12 B32 B36 41.8(7) . . . . ?
B34 C12 B32 B36 -61.7(10) . . . . ?
B33 C12 B32 B36 -97.7(6) . . . . ?
C11 C12 B32 B31 -37.5(5) . . . . ?
B34 C12 B32 B31 -103.6(6) . . . . ?
B33 C12 B32 B31 -139.5(6) . . . . ?
C11 C12 B32 B33 102.1(7) . . . . ?
B31 C12 B32 B33 139.5(6) . . . . ?
B34 C12 B32 B33 36.0(7) . . . . ?
C11 B31 B32 B37 -60.3(10) . . . . ?
C12 B31 B32 B37 -96.6(8) . . . . ?
B36 B31 B32 B37 36.3(6) . . . . ?
B35 B31 B32 B37 0.4(10) . . . . ?
C11 B31 B32 C12 36.2(5) . . . . ?
B36 B31 B32 C12 132.9(6) . . . . ?
B35 B31 B32 C12 97.0(5) . . . . ?
C11 B31 B32 B36 -96.6(8) . . . . ?
C12 B31 B32 B36 -132.9(6) . . . . ?
B35 B31 B32 B36 -35.9(8) . . . . ?
C11 B31 B32 B33 1.2(9) . . . . ?
C12 B31 B32 B33 -35.1(7) . . . . ?
B36 B31 B32 B33 97.8(6) . . . . ?
B35 B31 B32 B33 61.9(9) . . . . ?
C11 C12 B33 B38 -2.6(9) . . . . ?
B31 C12 B33 B38 62.7(9) . . . . ?
B32 C12 B33 B38 101.4(7) . . . . ?
B34 C12 B33 B38 -40.4(7) . . . . ?
C11 C12 B33 B37 -68.8(8) . . . . ?
B31 C12 B33 B37 -3.5(8) . . . . ?
B32 C12 B33 B37 35.2(5) . . . . ?
B34 C12 B33 B37 -106.6(7) . . . . ?
C11 C12 B33 B34 37.8(5) . . . . ?
B31 C12 B33 B34 103.1(6) . . . . ?
B32 C12 B33 B34 141.8(7) . . . . ?
C11 C12 B33 B32 -104.0(8) . . . . ?
B31 C12 B33 B32 -38.7(7) . . . . ?
B34 C12 B33 B32 -141.8(7) . . . . ?
B37 B32 B33 B38 39.5(4) . . . . ?
C12 B32 B33 B38 -98.8(5) . . . . ?
B36 B32 B33 B38 -0.5(6) . . . . ?
B31 B32 B33 B38 -64.7(7) . . . . ?
C12 B32 B33 B37 -138.2(5) . . . . ?
B36 B32 B33 B37 -39.9(4) . . . . ?
B31 B32 B33 B37 -104.1(7) . . . . ?
B37 B32 B33 C12 138.2(5) . . . . ?
B36 B32 B33 C12 98.3(5) . . . . ?
B31 B32 B33 C12 34.1(6) . . . . ?
B37 B32 B33 B34 104.5(6) . . . . ?
C12 B32 B33 B34 -33.7(6) . . . . ?
B36 B32 B33 B34 64.6(6) . . . . ?
B31 B32 B33 B34 0.4(9) . . . . ?
C10 C11 B34 B39 -111.9(4) . . . . ?
C12 C11 B34 B39 137.9(5) . . . . ?
B31 C11 B34 B39 104.0(6) . . . . ?
B35 C11 B34 B39 32.5(5) . . . . ?
C10 C11 B34 C12 110.2(4) . . . . ?
B31 C11 B34 C12 -33.9(6) . . . . ?
B35 C11 B34 C12 -105.4(5) . . . . ?
B39 C11 B34 C12 -137.9(5) . . . . ?
C10 C11 B34 B38 -155.0(4) . . . . ?
C12 C11 B34 B38 94.9(6) . . . . ?
B31 C11 B34 B38 61.0(7) . . . . ?
B35 C11 B34 B38 -10.6(7) . . . . ?
B39 C11 B34 B38 -43.0(5) . . . . ?
C10 C11 B34 B33 146.7(4) . . . . ?
C12 C11 B34 B33 36.6(5) . . . . ?
B31 C11 B34 B33 2.6(8) . . . . ?
B35 C11 B34 B33 -68.9(7) . . . . ?
B39 C11 B34 B33 -101.3(6) . . . . ?
C11 C12 B34 B39 -37.2(4) . . . . ?
B31 C12 B34 B39 -4.1(6) . . . . ?
B32 C12 B34 B39 64.1(8) . . . . ?
B33 C12 B34 B39 101.3(5) . . . . ?
B31 C12 B34 C11 33.2(4) . . . . ?
B32 C12 B34 C11 101.3(8) . . . . ?
B33 C12 B34 C11 138.5(5) . . . . ?
C11 C12 B34 B38 -101.6(5) . . . . ?
B31 C12 B34 B38 -68.5(6) . . . . ?
B32 C12 B34 B38 -0.3(9) . . . . ?
B33 C12 B34 B38 36.8(5) . . . . ?
C11 C12 B34 B33 -138.5(5) . . . . ?
B31 C12 B34 B33 -105.3(5) . . . . ?
B32 C12 B34 B33 -37.1(7) . . . . ?
B38 B33 B34 B39 37.1(6) . . . . ?
B37 B33 B34 B39 -4.2(8) . . . . ?
C12 B33 B34 B39 -98.0(6) . . . . ?
B32 B33 B34 B39 -65.0(7) . . . . ?
B38 B33 B34 C11 100.4(6) . . . . ?
B37 B33 B34 C11 59.1(8) . . . . ?
C12 B33 B34 C11 -34.7(5) . . . . ?
B32 B33 B34 C11 -1.7(8) . . . . ?
B38 B33 B34 C12 135.2(7) . . . . ?
B37 B33 B34 C12 93.9(7) . . . . ?
B32 B33 B34 C12 33.0(6) . . . . ?
B37 B33 B34 B38 -41.3(5) . . . . ?
C12 B33 B34 B38 -135.2(7) . . . . ?
B32 B33 B34 B38 -102.1(7) . . . . ?
C10 C11 B35 B39 112.2(4) . . . . ?
C12 C11 B35 B39 -99.8(5) . . . . ?
B31 C11 B35 B39 -140.5(4) . . . . ?
B34 C11 B35 B39 -31.8(5) . . . . ?
C10 C11 B35 B36 -145.1(5) . . . . ?
C12 C11 B35 B36 2.9(8) . . . . ?
B31 C11 B35 B36 -37.8(6) . . . . ?
B39 C11 B35 B36 102.7(6) . . . . ?
B34 C11 B35 B36 70.9(8) . . . . ?
C10 C11 B35 B40 151.7(5) . . . . ?
C12 C11 B35 B40 -60.2(8) . . . . ?
B31 C11 B35 B40 -100.9(6) . . . . ?
B39 C11 B35 B40 39.5(6) . . . . ?
B34 C11 B35 B40 7.7(8) . . . . ?
C10 C11 B35 B31 -107.4(4) . . . . ?
C12 C11 B35 B31 40.7(5) . . . . ?
B39 C11 B35 B31 140.5(4) . . . . ?
B34 C11 B35 B31 108.6(5) . . . . ?
C12 B31 B35 C11 -37.7(3) . . . . ?
B32 B31 B35 C11 -101.4(7) . . . . ?
B36 B31 B35 C11 -137.0(5) . . . . ?
C11 B31 B35 B39 35.6(4) . . . . ?
C12 B31 B35 B39 -2.1(5) . . . . ?
B32 B31 B35 B39 -65.9(7) . . . . ?
B36 B31 B35 B39 -101.4(5) . . . . ?
C11 B31 B35 B36 137.0(5) . . . . ?
C12 B31 B35 B36 99.2(5) . . . . ?
B32 B31 B35 B36 35.5(7) . . . . ?
C11 B31 B35 B40 98.1(6) . . . . ?
C12 B31 B35 B40 60.4(7) . . . . ?
B32 B31 B35 B40 -3.3(10) . . . . ?
B36 B31 B35 B40 -38.8(6) . . . . ?
C12 B32 B36 B37 100.4(7) . . . . ?
B31 B32 B36 B37 139.5(5) . . . . ?
B33 B32 B36 B37 39.7(4) . . . . ?
B37 B32 B36 B35 -102.9(7) . . . . ?
C12 B32 B36 B35 -2.5(10) . . . . ?
B31 B32 B36 B35 36.6(6) . . . . ?
B33 B32 B36 B35 -63.3(7) . . . . ?
B37 B32 B36 B31 -139.5(5) . . . . ?
C12 B32 B36 B31 -39.1(5) . . . . ?
B33 B32 B36 B31 -99.8(4) . . . . ?
B37 B32 B36 B40 -39.4(4) . . . . ?
C12 B32 B36 B40 61.0(7) . . . . ?
B31 B32 B36 B40 100.1(5) . . . . ?
B33 B32 B36 B40 0.3(5) . . . . ?
C11 B35 B36 B37 -64.1(9) . . . . ?
B39 B35 B36 B37 -0.4(9) . . . . ?
B40 B35 B36 B37 36.6(6) . . . . ?
B31 B35 B36 B37 -100.2(8) . . . . ?
C11 B35 B36 B32 -0.1(10) . . . . ?
B39 B35 B36 B32 63.6(9) . . . . ?
B40 B35 B36 B32 100.6(7) . . . . ?
B31 B35 B36 B32 -36.2(8) . . . . ?
C11 B35 B36 B31 36.1(5) . . . . ?
B39 B35 B36 B31 99.7(6) . . . . ?
B40 B35 B36 B31 136.8(7) . . . . ?
C11 B35 B36 B40 -100.7(7) . . . . ?
B39 B35 B36 B40 -37.0(7) . . . . ?
B31 B35 B36 B40 -136.8(7) . . . . ?
C11 B31 B36 B37 66.5(9) . . . . ?
C12 B31 B36 B37 5.3(9) . . . . ?
B32 B31 B36 B37 -36.3(5) . . . . ?
B35 B31 B36 B37 103.1(8) . . . . ?
C11 B31 B36 B32 102.8(8) . . . . ?
C12 B31 B36 B32 41.7(7) . . . . ?
B35 B31 B36 B32 139.4(7) . . . . ?
C11 B31 B36 B35 -36.6(5) . . . . ?
C12 B31 B36 B35 -97.8(5) . . . . ?
B32 B31 B36 B35 -139.4(7) . . . . ?
C11 B31 B36 B40 1.9(9) . . . . ?
C12 B31 B36 B40 -59.3(9) . . . . ?
B32 B31 B36 B40 -100.9(6) . . . . ?
B35 B31 B36 B40 38.5(7) . . . . ?
B35 B36 B37 B32 100.3(6) . . . . ?
B31 B36 B37 B32 36.1(5) . . . . ?
B40 B36 B37 B32 136.4(5) . . . . ?
B32 B36 B37 B33 -43.7(6) . . . . ?
B35 B36 B37 B33 56.6(9) . . . . ?
B31 B36 B37 B33 -7.7(9) . . . . ?
B40 B36 B37 B33 92.7(6) . . . . ?
B32 B36 B37 B40 -136.4(5) . . . . ?
B35 B36 B37 B40 -36.1(6) . . . . ?
B31 B36 B37 B40 -100.4(6) . . . . ?
B32 B36 B37 B38 -101.9(6) . . . . ?
B35 B36 B37 B38 -1.5(9) . . . . ?
B31 B36 B37 B38 -65.8(8) . . . . ?
B40 B36 B37 B38 34.6(5) . . . . ?
C12 B32 B37 B36 -97.1(6) . . . . ?
B31 B32 B37 B36 -37.5(6) . . . . ?
B33 B32 B37 B36 -133.4(5) . . . . ?
C12 B32 B37 B33 36.3(6) . . . . ?
B36 B32 B37 B33 133.4(5) . . . . ?
B31 B32 B37 B33 95.9(7) . . . . ?
C12 B32 B37 B40 -56.9(9) . . . . ?
B36 B32 B37 B40 40.2(6) . . . . ?
B31 B32 B37 B40 2.7(10) . . . . ?
B33 B32 B37 B40 -93.2(6) . . . . ?
C12 B32 B37 B38 0.8(9) . . . . ?
B36 B32 B37 B38 97.9(6) . . . . ?
B31 B32 B37 B38 60.4(9) . . . . ?
B33 B32 B37 B38 -35.6(5) . . . . ?
B38 B33 B37 B36 -95.6(6) . . . . ?
C12 B33 B37 B36 6.8(8) . . . . ?
B34 B33 B37 B36 -55.1(8) . . . . ?
B32 B33 B37 B36 42.1(6) . . . . ?
B38 B33 B37 B32 -137.7(5) . . . . ?
C12 B33 B37 B32 -35.3(5) . . . . ?
B34 B33 B37 B32 -97.2(6) . . . . ?
B38 B33 B37 B40 -31.4(5) . . . . ?
C12 B33 B37 B40 70.9(7) . . . . ?
B34 B33 B37 B40 9.0(8) . . . . ?
B32 B33 B37 B40 106.2(5) . . . . ?
C12 B33 B37 B38 102.4(5) . . . . ?
B34 B33 B37 B38 40.4(5) . . . . ?
B32 B33 B37 B38 137.7(5) . . . . ?
B37 B33 B38 B40 37.2(5) . . . . ?
C12 B33 B38 B40 -60.1(7) . . . . ?
B34 B33 B38 B40 -99.4(5) . . . . ?
B32 B33 B38 B40 0.5(6) . . . . ?
B37 B33 B38 B34 136.5(5) . . . . ?
C12 B33 B38 B34 39.3(6) . . . . ?
B32 B33 B38 B34 99.9(5) . . . . ?
B37 B33 B38 B39 102.0(6) . . . . ?
C12 B33 B38 B39 4.7(9) . . . . ?
B34 B33 B38 B39 -34.5(5) . . . . ?
B32 B33 B38 B39 65.3(7) . . . . ?
C12 B33 B38 B37 -97.3(7) . . . . ?
B34 B33 B38 B37 -136.5(5) . . . . ?
B32 B33 B38 B37 -36.7(4) . . . . ?
B39 B34 B38 B40 -32.9(6) . . . . ?
C11 B34 B38 B40 9.3(8) . . . . ?
C12 B34 B38 B40 67.5(8) . . . . ?
B33 B34 B38 B40 106.4(7) . . . . ?
B39 B34 B38 B33 -139.3(6) . . . . ?
C11 B34 B38 B33 -97.1(6) . . . . ?
C12 B34 B38 B33 -38.9(6) . . . . ?
C11 B34 B38 B39 42.2(4) . . . . ?
C12 B34 B38 B39 100.4(5) . . . . ?
B33 B34 B38 B39 139.3(6) . . . . ?
B39 B34 B38 B37 -99.6(6) . . . . ?
C11 B34 B38 B37 -57.4(7) . . . . ?
C12 B34 B38 B37 0.8(8) . . . . ?
B33 B34 B38 B37 39.7(5) . . . . ?
B36 B37 B38 B40 -38.0(6) . . . . ?
B32 B37 B38 B40 -101.6(6) . . . . ?
B33 B37 B38 B40 -141.0(5) . . . . ?
B36 B37 B38 B33 103.0(6) . . . . ?
B32 B37 B38 B33 39.4(6) . . . . ?
B40 B37 B38 B33 141.0(5) . . . . ?
B36 B37 B38 B34 62.6(7) . . . . ?
B32 B37 B38 B34 -1.0(8) . . . . ?
B33 B37 B38 B34 -40.4(5) . . . . ?
B40 B37 B38 B34 100.6(5) . . . . ?
B36 B37 B38 B39 2.9(8) . . . . ?
B32 B37 B38 B39 -60.7(8) . . . . ?
B33 B37 B38 B39 -100.1(5) . . . . ?
B40 B37 B38 B39 40.9(5) . . . . ?
C1 C2 B6 B4 107.3(4) . . . . ?
B1 C2 B6 B4 -104.9(4) . . . . ?
C3 C2 B6 B4 -36.8(4) . . . . ?
B5 C2 B6 B4 -143.2(4) . . . . ?
C1 C2 B6 B7 147.8(5) . . . . ?
B1 C2 B6 B7 -64.4(7) . . . . ?
B4 C2 B6 B7 40.5(5) . . . . ?
C3 C2 B6 B7 3.7(8) . . . . ?
B5 C2 B6 B7 -102.6(6) . . . . ?
C1 C2 B6 B10 -148.6(4) . . . . ?
B1 C2 B6 B10 -0.8(6) . . . . ?
B4 C2 B6 B10 104.1(5) . . . . ?
C3 C2 B6 B10 67.2(7) . . . . ?
B5 C2 B6 B10 -39.1(5) . . . . ?
C1 C2 B6 B5 -109.5(4) . . . . ?
B1 C2 B6 B5 38.3(4) . . . . ?
B4 C2 B6 B5 143.2(4) . . . . ?
C3 C2 B6 B5 106.3(4) . . . . ?
B7 B4 B6 C2 136.2(5) . . . . ?
B3 B4 B6 C2 99.5(4) . . . . ?
C3 B4 B6 C2 34.3(3) . . . . ?
C2 B4 B6 B7 -136.2(5) . . . . ?
B3 B4 B6 B7 -36.7(5) . . . . ?
C3 B4 B6 B7 -101.9(5) . . . . ?
C2 B4 B6 B10 -99.2(7) . . . . ?
B7 B4 B6 B10 37.0(6) . . . . ?
B3 B4 B6 B10 0.3(8) . . . . ?
C3 B4 B6 B10 -64.9(7) . . . . ?
C2 B4 B6 B5 -34.0(3) . . . . ?
B7 B4 B6 B5 102.2(5) . . . . ?
B3 B4 B6 B5 65.5(5) . . . . ?
C3 B4 B6 B5 0.3(5) . . . . ?
B1 B5 B6 C2 -35.0(3) . . . . ?
B10 B5 B6 C2 -136.3(5) . . . . ?
B8 B5 B6 C2 -96.6(6) . . . . ?
C2 B5 B6 B4 34.0(3) . . . . ?
B1 B5 B6 B4 -1.0(5) . . . . ?
B10 B5 B6 B4 -102.3(5) . . . . ?
B8 B5 B6 B4 -62.6(6) . . . . ?
C2 B5 B6 B7 101.2(5) . . . . ?
B1 B5 B6 B7 66.2(5) . . . . ?
B10 B5 B6 B7 -35.1(5) . . . . ?
B8 B5 B6 B7 4.6(8) . . . . ?
C2 B5 B6 B10 136.3(5) . . . . ?
B1 B5 B6 B10 101.3(5) . . . . ?
B8 B5 B6 B10 39.7(5) . . . . ?
C11 B34 B39 B35 -32.7(4) . . . . ?
C12 B34 B39 B35 2.5(6) . . . . ?
B38 B34 B39 B35 99.8(5) . . . . ?
B33 B34 B39 B35 65.4(6) . . . . ?
C12 B34 B39 C11 35.2(3) . . . . ?
B38 B34 B39 C11 132.5(5) . . . . ?
B33 B34 B39 C11 98.1(5) . . . . ?
C11 B34 B39 B40 -101.1(6) . . . . ?
C12 B34 B39 B40 -65.9(6) . . . . ?
B38 B34 B39 B40 31.3(6) . . . . ?
B33 B34 B39 B40 -3.0(8) . . . . ?
C11 B34 B39 B38 -132.5(5) . . . . ?
C12 B34 B39 B38 -97.2(5) . . . . ?
B33 B34 B39 B38 -34.4(5) . . . . ?
C11 B35 B39 B34 33.5(4) . . . . ?
B36 B35 B39 B34 -63.7(7) . . . . ?
B40 B35 B39 B34 -101.3(5) . . . . ?
B31 B35 B39 B34 -0.3(6) . . . . ?
B36 B35 B39 C11 -97.2(7) . . . . ?
B40 B35 B39 C11 -134.7(5) . . . . ?
B31 B35 B39 C11 -33.8(3) . . . . ?
C11 B35 B39 B40 134.7(5) . . . . ?
B36 B35 B39 B40 37.6(6) . . . . ?
B31 B35 B39 B40 101.0(5) . . . . ?
C11 B35 B39 B38 99.4(5) . . . . ?
B36 B35 B39 B38 2.3(8) . . . . ?
B40 B35 B39 B38 -35.3(5) . . . . ?
B31 B35 B39 B38 65.7(6) . . . . ?
C10 C11 B39 B34 106.9(4) . . . . ?
C12 C11 B39 B34 -39.2(5) . . . . ?
B31 C11 B39 B34 -104.7(6) . . . . ?
B35 C11 B39 B34 -144.2(5) . . . . ?
C10 C11 B39 B35 -109.0(4) . . . . ?
C12 C11 B39 B35 105.0(5) . . . . ?
B31 C11 B39 B35 39.4(5) . . . . ?
B34 C11 B39 B35 144.2(5) . . . . ?
C10 C11 B39 B40 -151.2(4) . . . . ?
C12 C11 B39 B40 62.8(7) . . . . ?
B31 C11 B39 B40 -2.7(8) . . . . ?
B35 C11 B39 B40 -42.2(5) . . . . ?
B34 C11 B39 B40 102.0(6) . . . . ?
C10 C11 B39 B38 149.7(5) . . . . ?
C12 C11 B39 B38 3.6(7) . . . . ?
B31 C11 B39 B38 -61.9(7) . . . . ?
B35 C11 B39 B38 -101.3(6) . . . . ?
B34 C11 B39 B38 42.8(5) . . . . ?
B40 B38 B39 B34 143.7(6) . . . . ?
B33 B38 B39 B34 37.3(6) . . . . ?
B37 B38 B39 B34 101.8(6) . . . . ?
B40 B38 B39 B35 38.6(6) . . . . ?
B33 B38 B39 B35 -67.7(8) . . . . ?
B34 B38 B39 B35 -105.0(6) . . . . ?
B37 B38 B39 B35 -3.3(7) . . . . ?
B40 B38 B39 C11 101.1(6) . . . . ?
B33 B38 B39 C11 -5.3(8) . . . . ?
B34 B38 B39 C11 -42.6(5) . . . . ?
B37 B38 B39 C11 59.2(7) . . . . ?
B33 B38 B39 B40 -106.3(7) . . . . ?
B34 B38 B39 B40 -143.7(6) . . . . ?
B37 B38 B39 B40 -41.9(5) . . . . ?
C2 B6 B7 B10 99.7(8) . . . . ?
B4 B6 B7 B10 139.4(6) . . . . ?
B5 B6 B7 B10 35.3(7) . . . . ?
C2 B6 B7 B4 -39.6(5) . . . . ?
B10 B6 B7 B4 -139.4(6) . . . . ?
B5 B6 B7 B4 -104.1(5) . . . . ?
C2 B6 B7 B3 -3.4(8) . . . . ?
B4 B6 B7 B3 36.2(5) . . . . ?
B10 B6 B7 B3 -103.1(7) . . . . ?
B5 B6 B7 B3 -67.8(7) . . . . ?
C2 B6 B7 B9 59.3(7) . . . . ?
B4 B6 B7 B9 98.9(5) . . . . ?
B10 B6 B7 B9 -40.5(6) . . . . ?
B5 B6 B7 B9 -5.2(7) . . . . ?
C2 B4 B7 B6 38.5(5) . . . . ?
B3 B4 B7 B6 139.2(6) . . . . ?
C3 B4 B7 B6 100.9(5) . . . . ?
B6 B4 B7 B10 -36.2(6) . . . . ?
C2 B4 B7 B10 2.3(7) . . . . ?
B3 B4 B7 B10 103.0(6) . . . . ?
C3 B4 B7 B10 64.7(7) . . . . ?
B6 B4 B7 B3 -139.2(6) . . . . ?
C2 B4 B7 B3 -100.7(4) . . . . ?
C3 B4 B7 B3 -38.3(5) . . . . ?
B6 B4 B7 B9 -101.0(7) . . . . ?
C2 B4 B7 B9 -62.5(6) . . . . ?
B3 B4 B7 B9 38.2(4) . . . . ?
C3 B4 B7 B9 -0.1(7) . . . . ?
B2 B3 B7 B6 64.1(7) . . . . ?
B9 B3 B7 B6 101.6(7) . . . . ?
B4 B3 B7 B6 -35.0(5) . . . . ?
C3 B3 B7 B6 1.9(8) . . . . ?
B2 B3 B7 B10 0.3(5) . . . . ?
B9 B3 B7 B10 37.9(4) . . . . ?
B4 B3 B7 B10 -98.8(5) . . . . ?
C3 B3 B7 B10 -61.8(5) . . . . ?
B2 B3 B7 B4 99.1(4) . . . . ?
B9 B3 B7 B4 136.6(5) . . . . ?
C3 B3 B7 B4 37.0(4) . . . . ?
B2 B3 B7 B9 -37.5(4) . . . . ?
B4 B3 B7 B9 -136.6(5) . . . . ?
C3 B3 B7 B9 -99.6(5) . . . . ?
B2 B9 B7 B6 -60.4(7) . . . . ?
B3 B9 B7 B6 -99.0(5) . . . . ?
B8 B9 B7 B6 3.6(7) . . . . ?
B10 B9 B7 B6 39.9(5) . . . . ?
B2 B9 B7 B10 -100.3(6) . . . . ?
B3 B9 B7 B10 -138.8(5) . . . . ?
B8 B9 B7 B10 -36.2(5) . . . . ?
B2 B9 B7 B4 0.1(7) . . . . ?
B3 B9 B7 B4 -38.5(5) . . . . ?
B8 B9 B7 B4 64.1(7) . . . . ?
B10 B9 B7 B4 100.3(5) . . . . ?
B2 B9 B7 B3 38.6(5) . . . . ?
B8 B9 B7 B3 102.6(5) . . . . ?
B10 B9 B7 B3 138.8(5) . . . . ?
B4 B7 B10 B6 35.0(5) . . . . ?
B3 B7 B10 B6 98.6(4) . . . . ?
B9 B7 B10 B6 135.5(5) . . . . ?
B6 B7 B10 B5 -34.9(6) . . . . ?
B4 B7 B10 B5 0.1(9) . . . . ?
B3 B7 B10 B5 63.7(8) . . . . ?
B9 B7 B10 B5 100.6(8) . . . . ?
B6 B7 B10 B8 -98.7(5) . . . . ?
B4 B7 B10 B8 -63.7(6) . . . . ?
B3 B7 B10 B8 -0.1(6) . . . . ?
B9 B7 B10 B8 36.8(5) . . . . ?
B6 B7 B10 B9 -135.5(5) . . . . ?
B4 B7 B10 B9 -100.5(5) . . . . ?
B3 B7 B10 B9 -36.9(4) . . . . ?
C2 B6 B10 B7 -102.4(6) . . . . ?
B4 B6 B10 B7 -38.1(6) . . . . ?
B5 B6 B10 B7 -141.4(6) . . . . ?
C2 B6 B10 B5 39.0(5) . . . . ?
B4 B6 B10 B5 103.3(5) . . . . ?
B7 B6 B10 B5 141.4(6) . . . . ?
C2 B6 B10 B8 -0.5(8) . . . . ?
B4 B6 B10 B8 63.8(8) . . . . ?
B7 B6 B10 B8 101.8(6) . . . . ?
B5 B6 B10 B8 -39.6(7) . . . . ?
C2 B6 B10 B9 -62.7(9) . . . . ?
B4 B6 B10 B9 1.6(10) . . . . ?
B7 B6 B10 B9 39.6(6) . . . . ?
B5 B6 B10 B9 -101.8(9) . . . . ?
C2 B5 B10 B7 -2.4(10) . . . . ?
B1 B5 B10 B7 -62.7(9) . . . . ?
B6 B5 B10 B7 34.8(7) . . . . ?
B8 B5 B10 B7 -100.4(7) . . . . ?
C2 B5 B10 B6 -37.2(5) . . . . ?
B1 B5 B10 B6 -97.5(5) . . . . ?
B8 B5 B10 B6 -135.1(5) . . . . ?
C2 B5 B10 B8 97.9(7) . . . . ?
B1 B5 B10 B8 37.6(6) . . . . ?
B6 B5 B10 B8 135.1(5) . . . . ?
C2 B5 B10 B9 61.9(9) . . . . ?
B1 B5 B10 B9 1.6(9) . . . . ?
B6 B5 B10 B9 99.1(7) . . . . ?
B8 B5 B10 B9 -36.0(5) . . . . ?
B2 B9 B10 B7 100.0(5) . . . . ?
B3 B9 B10 B7 36.4(5) . . . . ?
B8 B9 B10 B7 138.6(5) . . . . ?
B2 B9 B10 B6 60.8(9) . . . . ?
B3 B9 B10 B6 -2.8(10) . . . . ?
B8 B9 B10 B6 99.4(7) . . . . ?
B7 B9 B10 B6 -39.2(6) . . . . ?
B2 B9 B10 B5 -2.2(9) . . . . ?
B3 B9 B10 B5 -65.9(9) . . . . ?
B8 B9 B10 B5 36.3(6) . . . . ?
B7 B9 B10 B5 -102.3(6) . . . . ?
B2 B9 B10 B8 -38.5(5) . . . . ?
B3 B9 B10 B8 -102.2(6) . . . . ?
B7 B9 B10 B8 -138.6(5) . . . . ?
B33 B38 B40 B39 98.1(5) . . . . ?
B34 B38 B40 B39 31.1(5) . . . . ?
B37 B38 B40 B39 134.6(5) . . . . ?
B33 B38 B40 B37 -36.5(4) . . . . ?
B34 B38 B40 B37 -103.5(6) . . . . ?
B39 B38 B40 B37 -134.6(5) . . . . ?
B33 B38 B40 B35 62.4(8) . . . . ?
B34 B38 B40 B35 -4.6(9) . . . . ?
B39 B38 B40 B35 -35.7(6) . . . . ?
B37 B38 B40 B35 98.9(7) . . . . ?
B33 B38 B40 B36 -0.3(6) . . . . ?
B34 B38 B40 B36 -67.3(7) . . . . ?
B39 B38 B40 B36 -98.4(5) . . . . ?
B37 B38 B40 B36 36.2(4) . . . . ?
B34 B39 B40 B38 -33.5(6) . . . . ?
B35 B39 B40 B38 -138.6(6) . . . . ?
C11 B39 B40 B38 -98.6(6) . . . . ?
B34 B39 B40 B37 9.1(8) . . . . ?
B35 B39 B40 B37 -96.0(7) . . . . ?
C11 B39 B40 B37 -56.0(8) . . . . ?
B38 B39 B40 B37 42.6(5) . . . . ?
B34 B39 B40 B35 105.1(6) . . . . ?
C11 B39 B40 B35 40.0(5) . . . . ?
B38 B39 B40 B35 138.6(6) . . . . ?
B34 B39 B40 B36 68.7(8) . . . . ?
B35 B39 B40 B36 -36.4(6) . . . . ?
C11 B39 B40 B36 3.7(8) . . . . ?
B38 B39 B40 B36 102.2(6) . . . . ?
B36 B37 B40 B38 137.7(5) . . . . ?
B32 B37 B40 B38 98.1(7) . . . . ?
B33 B37 B40 B38 31.9(5) . . . . ?
B36 B37 B40 B39 94.9(6) . . . . ?
B32 B37 B40 B39 55.4(9) . . . . ?
B33 B37 B40 B39 -10.9(8) . . . . ?
B38 B37 B40 B39 -42.8(6) . . . . ?
B36 B37 B40 B35 34.9(5) . . . . ?
B32 B37 B40 B35 -4.7(9) . . . . ?
B33 B37 B40 B35 -70.9(7) . . . . ?
B38 B37 B40 B35 -102.8(6) . . . . ?
B32 B37 B40 B36 -39.6(6) . . . . ?
B33 B37 B40 B36 -105.8(6) . . . . ?
B38 B37 B40 B36 -137.7(5) . . . . ?
C11 B35 B40 B38 -1.8(9) . . . . ?
B39 B35 B40 B38 38.4(7) . . . . ?
B36 B35 B40 B38 -99.9(7) . . . . ?
B31 B35 B40 B38 -61.2(9) . . . . ?
C11 B35 B40 B39 -40.3(5) . . . . ?
B36 B35 B40 B39 -138.3(6) . . . . ?
B31 B35 B40 B39 -99.7(6) . . . . ?
C11 B35 B40 B37 64.3(8) . . . . ?
B39 B35 B40 B37 104.5(7) . . . . ?
B36 B35 B40 B37 -33.8(5) . . . . ?
B31 B35 B40 B37 4.9(9) . . . . ?
C11 B35 B40 B36 98.0(7) . . . . ?
B39 B35 B40 B36 138.3(6) . . . . ?
B31 B35 B40 B36 38.6(7) . . . . ?
B37 B36 B40 B38 -38.9(4) . . . . ?
B32 B36 B40 B38 0.0(6) . . . . ?
B35 B36 B40 B38 101.4(5) . . . . ?
B31 B36 B40 B38 62.7(7) . . . . ?
B37 B36 B40 B39 -105.0(6) . . . . ?
B32 B36 B40 B39 -66.1(6) . . . . ?
B35 B36 B40 B39 35.3(5) . . . . ?
B31 B36 B40 B39 -3.4(9) . . . . ?
B32 B36 B40 B37 38.9(4) . . . . ?
B35 B36 B40 B37 140.2(5) . . . . ?
B31 B36 B40 B37 101.6(7) . . . . ?
B37 B36 B40 B35 -140.2(5) . . . . ?
B32 B36 B40 B35 -101.3(5) . . . . ?
B31 B36 B40 B35 -38.7(6) . . . . ?
C2 B1 B8 B5 -39.9(5) . . . . ?
C3 B1 B8 B5 -103.5(6) . . . . ?
B2 B1 B8 B5 -138.6(6) . . . . ?
C2 B1 B8 B10 -2.1(8) . . . . ?
B5 B1 B8 B10 37.8(7) . . . . ?
C3 B1 B8 B10 -65.7(8) . . . . ?
B2 B1 B8 B10 -100.8(6) . . . . ?
C2 B1 B8 B9 62.5(9) . . . . ?
B5 B1 B8 B9 102.5(9) . . . . ?
C3 B1 B8 B9 -1.0(10) . . . . ?
B2 B1 B8 B9 -36.1(6) . . . . ?
C2 B1 B8 B2 98.7(6) . . . . ?
B5 B1 B8 B2 138.6(6) . . . . ?
C3 B1 B8 B2 35.1(6) . . . . ?
C2 B5 B8 B1 37.8(5) . . . . ?
B6 B5 B8 B1 97.8(5) . . . . ?
B10 B5 B8 B1 137.2(6) . . . . ?
C2 B5 B8 B10 -99.4(7) . . . . ?
B1 B5 B8 B10 -137.2(6) . . . . ?
B6 B5 B8 B10 -39.4(6) . . . . ?
C2 B5 B8 B9 -62.2(9) . . . . ?
B1 B5 B8 B9 -100.0(7) . . . . ?
B6 B5 B8 B9 -2.2(9) . . . . ?
B10 B5 B8 B9 37.2(5) . . . . ?
C2 B5 B8 B2 -0.1(10) . . . . ?
B1 B5 B8 B2 -37.9(7) . . . . ?
B6 B5 B8 B2 59.8(9) . . . . ?
B10 B5 B8 B2 99.2(7) . . . . ?
B7 B10 B8 B1 64.4(7) . . . . ?
B6 B10 B8 B1 1.6(9) . . . . ?
B5 B10 B8 B1 -37.8(5) . . . . ?
B9 B10 B8 B1 101.7(6) . . . . ?
B7 B10 B8 B5 102.2(5) . . . . ?
B6 B10 B8 B5 39.5(5) . . . . ?
B9 B10 B8 B5 139.6(4) . . . . ?
B7 B10 B8 B9 -37.3(4) . . . . ?
B6 B10 B8 B9 -100.1(6) . . . . ?
B5 B10 B8 B9 -139.6(4) . . . . ?
B7 B10 B8 B2 -0.2(7) . . . . ?
B6 B10 B8 B2 -62.9(7) . . . . ?
B5 B10 B8 B2 -102.4(5) . . . . ?
B9 B10 B8 B2 37.1(4) . . . . ?
B2 B9 B8 B1 37.5(6) . . . . ?
B3 B9 B8 B1 -1.3(10) . . . . ?
B7 B9 B8 B1 -64.2(9) . . . . ?
B10 B9 B8 B1 -99.8(7) . . . . ?
B2 B9 B8 B5 100.9(6) . . . . ?
B3 B9 B8 B5 62.0(9) . . . . ?
B7 B9 B8 B5 -0.8(8) . . . . ?
B10 B9 B8 B5 -36.4(5) . . . . ?
B2 B9 B8 B10 137.3(5) . . . . ?
B3 B9 B8 B10 98.5(6) . . . . ?
B7 B9 B8 B10 35.6(5) . . . . ?
B3 B9 B8 B2 -38.8(5) . . . . ?
B7 B9 B8 B2 -101.7(5) . . . . ?
B10 B9 B8 B2 -137.3(5) . . . . ?
B9 B2 B8 B1 -138.8(6) . . . . ?
B3 B2 B8 B1 -99.8(5) . . . . ?
C3 B2 B8 B1 -34.4(6) . . . . ?
B9 B2 B8 B5 -101.6(8) . . . . ?
B3 B2 B8 B5 -62.6(8) . . . . ?
C3 B2 B8 B5 2.8(10) . . . . ?
B1 B2 B8 B5 37.2(6) . . . . ?
B9 B2 B8 B10 -38.6(5) . . . . ?
B3 B2 B8 B10 0.4(6) . . . . ?
C3 B2 B8 B10 65.8(7) . . . . ?
B1 B2 B8 B10 100.2(6) . . . . ?
B3 B2 B8 B9 39.0(4) . . . . ?
C3 B2 B8 B9 104.4(5) . . . . ?
B1 B2 B8 B9 138.8(6) . . . . ?

_refine_diff_density_max         0.502
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.058

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mfcl2154b
_database_code_depnum_ccdc_archive 'CCDC 1034195'
_audit_update_record             
;
2015-03-12 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H72 B40 Cu2 N4 O8'
_chemical_formula_sum            'C36 H72 B40 Cu2 N4 O8'
_chemical_formula_weight         1248.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.360(8)
_cell_length_b                   13.632(8)
_cell_length_c                   24.431(14)
_cell_angle_alpha                76.585(10)
_cell_angle_beta                 75.857(9)
_cell_angle_gamma                60.941(9)
_cell_volume                     3738(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    6804
_cell_measurement_theta_min      2.14
_cell_measurement_theta_max      25.19

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.109
_exptl_crystal_F_000             1276
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.611
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.879090
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   'SADABS v2.10 BRUKER 2001'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58343
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.842
_diffrn_reflns_theta_max         28.254
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             17921
_reflns_number_gt                11826
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.1270P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17921
_refine_ls_number_parameters     815
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0609
_refine_ls_wR_factor_ref         0.2023
_refine_ls_wR_factor_gt          0.1859
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001

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
Cu1 Cu 0.65831(3) 0.01987(3) 0.49246(2) 0.05162(12) Uani 1 1 d . . . . .
O1 O 0.69463(16) -0.08241(16) 0.43782(8) 0.0586(5) Uani 1 1 d . . . . .
O2 O 0.54161(15) -0.11732(16) 0.46942(8) 0.0601(5) Uani 1 1 d . . . . .
O6 O 0.85171(18) 0.0351(2) 0.49943(12) 0.0960(8) Uani 1 1 d . . . . .
O5 O 0.66842(15) 0.11168(16) 0.54163(8) 0.0560(4) Uani 1 1 d . . . . .
N1 N 0.6356(2) 0.1458(2) 0.42728(9) 0.0570(5) Uani 1 1 d . . . . .
C1 C 0.7709(2) 0.0979(2) 0.53152(13) 0.0599(7) Uani 1 1 d . . . . .
B1 B 0.7998(4) 0.2890(3) 0.52202(19) 0.0781(10) Uani 1 1 d . . . . .
H1 H 0.7815 0.3203 0.4781 0.117 Uiso 1 1 calc R U . . .
N2 N 0.69025(19) -0.11107(19) 0.55545(9) 0.0563(5) Uani 1 1 d . . . . .
C2 C 0.7934(2) 0.1687(2) 0.56254(12) 0.0541(6) Uani 1 1 d . . . . .
B2 B 0.6917(3) 0.2977(3) 0.57980(16) 0.0671(9) Uani 1 1 d . . . . .
H2 H 0.6009 0.3368 0.5730 0.101 Uiso 1 1 calc R U . . .
C3 C 0.9187(3) 0.1692(3) 0.54324(16) 0.0783(10) Uani 1 1 d . . . . .
H3B H 0.9816 0.1196 0.5095 0.117 Uiso 1 1 calc R U . . .
B3 B 0.7442(3) 0.1811(4) 0.63196(16) 0.0737(10) Uani 1 1 d . . . . .
H3 H 0.6879 0.1452 0.6592 0.111 Uiso 1 1 calc R U . . .
C4 C 0.6338(2) -0.1314(2) 0.43946(10) 0.0462(5) Uani 1 1 d . . . . .
B4 B 0.8972(4) 0.0947(4) 0.6052(2) 0.0911(14) Uani 1 1 d . . . . .
H4 H 0.9423 0.0018 0.6146 0.137 Uiso 1 1 calc R U . . .
C5 C 0.6884(2) -0.2212(2) 0.39868(11) 0.0493(6) Uani 1 1 d . . . . .
B5 B 0.9120(3) 0.2954(4) 0.5469(2) 0.0884(13) Uani 1 1 d . . . . .
H5 H 0.9662 0.3329 0.5188 0.133 Uiso 1 1 calc R U . . .
C6 C 0.6027(2) -0.2665(3) 0.38782(13) 0.0636(7) Uani 1 1 d . . . . .
H6A H 0.5117 -0.2328 0.4085 0.095 Uiso 1 1 calc R U . . .
B6 B 0.7659(3) 0.3785(4) 0.5723(2) 0.0871(12) Uani 1 1 d . . . . .
H6 H 0.7244 0.4711 0.5611 0.131 Uiso 1 1 calc R U . . .
C7 C 0.5627(3) 0.2537(3) 0.43365(14) 0.0769(9) Uani 1 1 d . . . . .
H7A H 0.5187 0.2695 0.4693 0.092 Uiso 1 1 calc R U . . .
B7 B 0.7313(3) 0.3128(4) 0.63996(19) 0.0830(12) Uani 1 1 d . . . . .
H7 H 0.6667 0.3635 0.6729 0.124 Uiso 1 1 calc R U . . .
C8 C 0.5485(3) 0.3428(3) 0.39103(15) 0.0840(10) Uani 1 1 d . . . . .
H8A H 0.4969 0.4164 0.3983 0.101 Uiso 1 1 calc R U . . .
B8 B 0.8569(5) 0.1848(5) 0.6575(2) 0.1075(17) Uani 1 1 d . . . . .
H8 H 0.8739 0.1503 0.7016 0.161 Uiso 1 1 calc R U . . .
C9 C 0.6111(3) 0.3226(3) 0.33718(14) 0.0764(9) Uani 1 1 d . . . . .
B9 B 0.9695(4) 0.1787(4) 0.5965(2) 0.1019(17) Uani 1 1 d . . . . .
H9 H 1.0619 0.1406 0.6000 0.153 Uiso 1 1 calc R U . . .
C10 C 0.6863(4) 0.2119(3) 0.33057(15) 0.0957(12) Uani 1 1 d . . . . .
H10A H 0.7315 0.1942 0.2953 0.115 Uiso 1 1 calc R U . . .
B10 B 0.8701(4) 0.3071(4) 0.6204(2) 0.1017(17) Uani 1 1 d . . . . .
H10 H 0.8965 0.3519 0.6415 0.153 Uiso 1 1 calc R U . . .
B11 B 0.6397(3) -0.1787(3) 0.33409(14) 0.0682(9) Uani 1 1 d . . . . .
H11 H 0.5796 -0.0915 0.3189 0.102 Uiso 1 1 calc R U . . .
C11 C 0.6962(3) 0.1269(3) 0.37478(14) 0.0825(10) Uani 1 1 d . . . . .
H11A H 0.7472 0.0527 0.3683 0.099 Uiso 1 1 calc R U . . .
B12 B 0.7855(3) -0.2181(3) 0.33818(15) 0.0685(9) Uani 1 1 d . . . . .
H12 H 0.8208 -0.1567 0.3252 0.103 Uiso 1 1 calc R U . . .
C12 C 0.5987(5) 0.4189(4) 0.28843(17) 0.1183(16) Uani 1 1 d . . . . .
H12A H 0.6393 0.3880 0.2534 0.177 Uiso 1 1 calc R U . . .
H12B H 0.6309 0.4632 0.2958 0.177 Uiso 1 1 calc R U . . .
H12C H 0.5182 0.4661 0.2854 0.177 Uiso 1 1 calc R U . . .
B13 B 0.8265(3) -0.3275(3) 0.39792(17) 0.0717(10) Uani 1 1 d . . . . .
H13 H 0.8884 -0.3362 0.4234 0.107 Uiso 1 1 calc R U . . .
C13 C 0.7743(3) -0.2171(3) 0.54757(15) 0.0914(11) Uani 1 1 d . . . . .
H13A H 0.8225 -0.2282 0.5126 0.110 Uiso 1 1 calc R U . . .
B14 B 0.7075(3) -0.3535(3) 0.42974(18) 0.0711(9) Uani 1 1 d . . . . .
H14 H 0.6910 -0.3784 0.4759 0.107 Uiso 1 1 calc R U . . .
C14 C 0.7911(4) -0.3067(3) 0.58784(17) 0.1096(15) Uani 1 1 d . . . . .
H14A H 0.8520 -0.3771 0.5805 0.132 Uiso 1 1 calc R U . . .
C15 C 0.7197(3) -0.2969(3) 0.64015(14) 0.0834(10) Uani 1 1 d . . . . .
B15 B 0.6329(4) -0.2977(4) 0.32096(19) 0.0884(13) Uani 1 1 d . . . . .
H15 H 0.5686 -0.2883 0.2967 0.133 Uiso 1 1 calc R U . . .
B16 B 0.7540(4) -0.2704(4) 0.28843(17) 0.0832(12) Uani 1 1 d . . . . .
H16 H 0.7701 -0.2433 0.2425 0.125 Uiso 1 1 calc R U . . .
C16 C 0.6354(4) -0.1933(4) 0.64590(16) 0.1182(18) Uani 1 1 d . . . . .
H16A H 0.5817 -0.1809 0.6792 0.142 Uiso 1 1 calc R U . . .
B17 B 0.8683(3) -0.3632(3) 0.32797(18) 0.0778(11) Uani 1 1 d . . . . .
H17 H 0.9595 -0.3976 0.3076 0.117 Uiso 1 1 calc R U . . .
C17 C 0.6253(4) -0.1043(3) 0.60434(15) 0.1106(17) Uani 1 1 d . . . . .
H17A H 0.5669 -0.0329 0.6119 0.133 Uiso 1 1 calc R U . . .
B18 B 0.8206(4) -0.4446(3) 0.3837(2) 0.0840(12) Uani 1 1 d . . . . .
H18 H 0.8802 -0.5316 0.3995 0.126 Uiso 1 1 calc R U . . .
C18 C 0.7316(5) -0.3981(4) 0.68572(19) 0.1295(18) Uani 1 1 d . . . . .
H18A H 0.6780 -0.3720 0.7195 0.194 Uiso 1 1 calc R U . . .
H18B H 0.8092 -0.4375 0.6943 0.194 Uiso 1 1 calc R U . . .
H18C H 0.7150 -0.4483 0.6720 0.194 Uiso 1 1 calc R U . . .
B19 B 0.6738(4) -0.4053(4) 0.3803(2) 0.0908(14) Uani 1 1 d . . . . .
H19 H 0.6364 -0.4649 0.3943 0.136 Uiso 1 1 calc R U . . .
B20 B 0.7749(3) -0.4096(4) 0.31576(19) 0.0829(12) Uani 1 1 d . . . . .
H20 H 0.8043 -0.4731 0.2872 0.124 Uiso 1 1 calc R U . . .
Cu1A Cu 0.01620(3) 0.15695(3) 0.00541(2) 0.05571(12) Uani 1 1 d . . . . .
O1A O -0.12134(17) 0.15785(17) 0.05814(8) 0.0646(5) Uani 1 1 d . . . . .
C1A C -0.1638(2) 0.0925(2) 0.06081(10) 0.0507(6) Uani 1 1 d . . . . .
N1A N -0.0786(2) 0.2310(2) -0.05903(10) 0.0629(6) Uani 1 1 d . . . . .
B1A B -0.2748(3) 0.0346(3) 0.16517(14) 0.0642(8) Uani 1 1 d . . . . .
H1A H -0.1954 -0.0348 0.1802 0.096 Uiso 1 1 calc R U . . .
C2A C -0.2793(2) 0.1228(2) 0.10146(11) 0.0532(6) Uani 1 1 d . . . . .
N2A N 0.1071(2) 0.0871(2) 0.07094(10) 0.0641(6) Uani 1 1 d . . . . .
B2A B -0.3112(4) 0.1792(4) 0.16244(16) 0.0774(11) Uani 1 1 d . . . . .
H2A H -0.2545 0.2031 0.1763 0.116 Uiso 1 1 calc R U . . .
O3A O 0.14034(16) 0.19659(15) -0.03987(9) 0.0622(5) Uani 1 1 d . . . . .
C3A C -0.3349(2) 0.0348(2) 0.11024(11) 0.0542(6) Uani 1 1 d . . . . .
H3C H -0.2896 -0.0411 0.0885 0.081 Uiso 1 1 calc R U . . .
B3A B -0.3865(3) 0.2589(3) 0.10364(18) 0.0757(11) Uani 1 1 d . . . . .
H3A H -0.3787 0.3344 0.0796 0.114 Uiso 1 1 calc R U . . .
C4A C 0.1197(3) 0.2911(2) -0.02910(15) 0.0725(9) Uani 1 1 d . . . . .
O4A O 0.0371(3) 0.3489(2) 0.00127(19) 0.1662(19) Uani 1 1 d . . . . .
B4A B -0.3979(3) 0.1643(3) 0.06890(16) 0.0672(9) Uani 1 1 d . . . . .
H4A H -0.3962 0.1770 0.0226 0.101 Uiso 1 1 calc R U . . .
C5A C 0.2076(2) 0.3347(2) -0.05994(12) 0.0551(6) Uani 1 1 d . . . . .
B5A B -0.4073(3) 0.0243(3) 0.17676(15) 0.0710(9) Uani 1 1 d . . . . .
H5A H -0.4133 -0.0526 0.1999 0.107 Uiso 1 1 calc R U . . .
C6A C 0.2065(4) 0.4342(3) -0.03233(19) 0.1013(14) Uani 1 1 d . . . . .
H6C H 0.1480 0.4617 0.0075 0.152 Uiso 1 1 calc R U . . .
B6A B -0.3968(4) 0.1209(4) 0.21141(17) 0.0813(11) Uani 1 1 d . . . . .
H6B H -0.3978 0.1079 0.2576 0.122 Uiso 1 1 calc R U . . .
B7A B -0.4634(4) 0.2579(4) 0.17326(19) 0.0873(13) Uani 1 1 d . . . . .
H7A1 H -0.5071 0.3339 0.1949 0.131 Uiso 1 1 calc R U . . .
C7A C -0.0295(4) 0.2170(4) -0.11211(17) 0.1102(15) Uani 1 1 d . . . . .
H7AA H 0.0509 0.1777 -0.1199 0.132 Uiso 1 1 calc R U . . .
C8A C -0.0912(5) 0.2576(5) -0.15693(19) 0.139(2) Uani 1 1 d . . . . .
H8AA H -0.0521 0.2404 -0.1932 0.166 Uiso 1 1 calc R U . . .
B8A B -0.5184(4) 0.2482(4) 0.1157(2) 0.0854(12) Uani 1 1 d . . . . .
H8A1 H -0.5974 0.3172 0.1001 0.128 Uiso 1 1 calc R U . . .
B9A B -0.4824(3) 0.1041(3) 0.11814(17) 0.0724(9) Uani 1 1 d . . . . .
H9A H -0.5368 0.0784 0.1035 0.109 Uiso 1 1 calc R U . . .
C9A C -0.2072(4) 0.3218(4) -0.14925(17) 0.0958(11) Uani 1 1 d . . . . .
B10A B -0.5234(3) 0.1621(4) 0.18200(18) 0.0788(11) Uani 1 1 d . . . . .
H10B H -0.6064 0.1755 0.2095 0.118 Uiso 1 1 calc R U . . .
C10A C -0.2579(4) 0.3429(4) -0.09540(18) 0.1075(14) Uani 1 1 d . . . . .
H10C H -0.3374 0.3884 -0.0875 0.129 Uiso 1 1 calc R U . . .
C11A C -0.1929(3) 0.2977(3) -0.05279(16) 0.0893(11) Uani 1 1 d . . . . .
H11B H -0.2310 0.3144 -0.0163 0.107 Uiso 1 1 calc R U . . .
B11A B 0.1521(4) 0.4714(3) -0.0875(2) 0.0881(14) Uani 1 1 d . . . . .
H11C H 0.0582 0.5252 -0.0862 0.132 Uiso 1 1 calc R U . . .
B12A B 0.2257(6) 0.3661(7) -0.13180(19) 0.141(3) Uani 1 1 d . . . . .
H12D H 0.1845 0.3485 -0.1597 0.212 Uiso 1 1 calc R U . . .
C12A C -0.2768(5) 0.3714(5) -0.1998(2) 0.143(2) Uani 1 1 d . . . . .
H12G H -0.3302 0.4497 -0.1973 0.215 Uiso 1 1 calc R U . . .
H12E H -0.3190 0.3302 -0.1983 0.215 Uiso 1 1 calc R U . . .
H12F H -0.2243 0.3649 -0.2351 0.215 Uiso 1 1 calc R U . . .
C13A C 0.0603(5) 0.0989(6) 0.1252(2) 0.141(2) Uani 1 1 d . . . . .
H13B H -0.0197 0.1402 0.1340 0.170 Uiso 1 1 calc R U . . .
B13A B 0.3375(4) 0.2601(4) -0.0959(4) 0.152(3) Uani 1 1 d . . . . .
H13C H 0.3723 0.1705 -0.1007 0.228 Uiso 1 1 calc R U . . .
C14A C 0.1259(6) 0.0519(7) 0.1699(2) 0.165(3) Uani 1 1 d . . . . .
H14B H 0.0884 0.0598 0.2073 0.197 Uiso 1 1 calc R U . . .
B14A B 0.3226(5) 0.3035(5) -0.0302(3) 0.119(2) Uani 1 1 d . . . . .
H14C H 0.3461 0.2443 0.0090 0.178 Uiso 1 1 calc R U . . .
B15A B 0.2358(5) 0.5269(4) -0.0808(3) 0.114(2) Uani 1 1 d . . . . .
H15A H 0.2020 0.6159 -0.0752 0.171 Uiso 1 1 calc R U . . .
C15A C 0.2409(4) -0.0037(4) 0.15975(17) 0.0915(11) Uani 1 1 d . . . . .
B16A B 0.2484(5) 0.4868(7) -0.1451(2) 0.134(3) Uani 1 1 d . . . . .
H16B H 0.2216 0.5499 -0.1828 0.201 Uiso 1 1 calc R U . . .
C16A C 0.2868(4) -0.0187(4) 0.1062(2) 0.1143(15) Uani 1 1 d . . . . .
H16C H 0.3666 -0.0610 0.0972 0.137 Uiso 1 1 calc R U . . .
B17A B 0.3648(6) 0.3562(7) -0.1505(3) 0.154(3) Uani 1 1 d . . . . .
H17B H 0.4167 0.3306 -0.1919 0.231 Uiso 1 1 calc R U . . .
C17A C 0.2202(4) 0.0263(4) 0.06309(18) 0.1029(13) Uani 1 1 d . . . . .
H17C H 0.2578 0.0128 0.0262 0.124 Uiso 1 1 calc R U . . .
B18A B 0.4263(4) 0.3159(4) -0.0877(3) 0.127(2) Uani 1 1 d . . . . .
H18D H 0.5195 0.2628 -0.0864 0.190 Uiso 1 1 calc R U . . .
C18A C 0.3115(5) -0.0516(5) 0.2081(2) 0.1342(18) Uani 1 1 d . . . . .
H18G H 0.3737 -0.0312 0.1985 0.201 Uiso 1 1 calc R U . . .
H18E H 0.3428 -0.1326 0.2142 0.201 Uiso 1 1 calc R U . . .
H18F H 0.2627 -0.0214 0.2422 0.201 Uiso 1 1 calc R U . . .
B19A B 0.3408(5) 0.4266(5) -0.0469(2) 0.1110(19) Uani 1 1 d . . . . .
H19A H 0.3765 0.4487 -0.0182 0.167 Uiso 1 1 calc R U . . .
B20A B 0.3740(3) 0.4537(3) -0.12051(18) 0.0765(10) Uani 1 1 d . . . . .
H20A H 0.4327 0.4910 -0.1417 0.115 Uiso 1 1 calc R U . . .
O2A O -0.12673(19) 0.01210(17) 0.03556(9) 0.0762(6) 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
Cu1 O1 1.9624(19) . ?
Cu1 O5 1.9922(19) . ?
Cu1 N1 2.009(3) . ?
Cu1 N2 2.011(2) . ?
Cu1 O2 2.383(2) 2_656 ?
O1 C4 1.267(3) . ?
O2 C4 1.219(3) . ?
O2 Cu1 2.383(2) 2_656 ?
O6 C1 1.230(3) . ?
O5 C1 1.256(3) . ?
N1 C7 1.333(4) . ?
N1 C11 1.346(4) . ?
C1 C2 1.526(4) . ?
B1 C3 1.717(6) . ?
B1 B2 1.734(5) . ?
B1 C2 1.737(5) . ?
B1 B6 1.757(6) . ?
B1 B5 1.796(6) . ?
B1 H1 1.1000 . ?
N2 C17 1.286(4) . ?
N2 C13 1.354(4) . ?
C2 C3 1.627(4) . ?
C2 B3 1.679(5) . ?
C2 B2 1.691(4) . ?
C2 B4 1.699(5) . ?
B2 B3 1.748(6) . ?
B2 B6 1.762(5) . ?
B2 B7 1.763(5) . ?
B2 H2 1.1000 . ?
C3 B9 1.662(5) . ?
C3 B4 1.663(6) . ?
C3 B5 1.702(5) . ?
C3 H3B 1.1000 . ?
B3 B7 1.771(6) . ?
B3 B8 1.792(6) . ?
B3 B4 1.833(6) . ?
B3 H3 1.1000 . ?
C4 C5 1.539(3) . ?
B4 B9 1.775(7) . ?
B4 B8 1.784(6) . ?
B4 H4 1.1000 . ?
C5 C6 1.635(4) . ?
C5 B13 1.703(4) . ?
C5 B14 1.704(5) . ?
C5 B12 1.720(4) . ?
C5 B11 1.720(4) . ?
B5 B9 1.720(7) . ?
B5 B6 1.750(6) . ?
B5 B10 1.765(7) . ?
B5 H5 1.1000 . ?
C6 B19 1.686(5) . ?
C6 B15 1.687(5) . ?
C6 B11 1.712(5) . ?
C6 B14 1.714(5) . ?
C6 H6A 1.1000 . ?
B6 B7 1.758(7) . ?
B6 B10 1.795(7) . ?
B6 H6 1.1000 . ?
C7 C8 1.372(4) . ?
C7 H7A 0.9300 . ?
B7 B10 1.766(6) . ?
B7 B8 1.791(7) . ?
B7 H7 1.1000 . ?
C8 C9 1.383(5) . ?
C8 H8A 0.9300 . ?
B8 B10 1.771(8) . ?
B8 B9 1.826(8) . ?
B8 H8 1.1000 . ?
C9 C10 1.369(5) . ?
C9 C12 1.526(5) . ?
B9 B10 1.734(6) . ?
B9 H9 1.1000 . ?
C10 C11 1.366(5) . ?
C10 H10A 0.9300 . ?
B10 H10 1.1000 . ?
B11 B16 1.760(5) . ?
B11 B15 1.773(6) . ?
B11 B12 1.773(5) . ?
B11 H11 1.1000 . ?
C11 H11A 0.9300 . ?
B12 B16 1.762(5) . ?
B12 B17 1.780(5) . ?
B12 B13 1.801(6) . ?
B12 H12 1.1000 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
B13 B18 1.751(6) . ?
B13 B14 1.753(5) . ?
B13 B17 1.768(5) . ?
B13 H13 1.1000 . ?
C13 C14 1.340(5) . ?
C13 H13A 0.9300 . ?
B14 B18 1.756(5) . ?
B14 B19 1.769(6) . ?
B14 H14 1.1000 . ?
C14 C15 1.386(5) . ?
C14 H14A 0.9300 . ?
C15 C16 1.324(5) . ?
C15 C18 1.525(5) . ?
B15 B20 1.762(6) . ?
B15 B19 1.780(7) . ?
B15 B16 1.792(6) . ?
B15 H15 1.1000 . ?
B16 B20 1.764(6) . ?
B16 B17 1.772(6) . ?
B16 H16 1.1000 . ?
C16 C17 1.363(5) . ?
C16 H16A 0.9300 . ?
B17 B18 1.748(6) . ?
B17 B20 1.754(6) . ?
B17 H17 1.1000 . ?
C17 H17A 0.9300 . ?
B18 B19 1.783(6) . ?
B18 B20 1.790(7) . ?
B18 H18 1.1000 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
B19 B20 1.799(6) . ?
B19 H19 1.1000 . ?
B20 H20 1.1000 . ?
Cu1A O1A 1.966(2) . ?
Cu1A O3A 1.991(2) . ?
Cu1A N2A 2.016(3) . ?
Cu1A N1A 2.024(3) . ?
Cu1A O2A 2.353(2) 2 ?
O1A C1A 1.251(3) . ?
C1A O2A 1.210(3) . ?
C1A C2A 1.536(4) . ?
N1A C7A 1.314(4) . ?
N1A C11A 1.336(4) . ?
B1A C3A 1.723(4) . ?
B1A C2A 1.726(4) . ?
B1A B2A 1.774(5) . ?
B1A B6A 1.780(5) . ?
B1A B5A 1.791(5) . ?
B1A H1A 1.1000 . ?
C2A C3A 1.646(3) . ?
C2A B2A 1.701(4) . ?
C2A B3A 1.709(4) . ?
C2A B4A 1.733(5) . ?
N2A C17A 1.312(5) . ?
N2A C13A 1.331(5) . ?
B2A B7A 1.762(6) . ?
B2A B6A 1.773(5) . ?
B2A B3A 1.782(6) . ?
B2A H2A 1.1000 . ?
O3A C4A 1.258(3) . ?
C3A B5A 1.690(4) . ?
C3A B9A 1.704(5) . ?
C3A B4A 1.729(4) . ?
C3A H3C 1.1000 . ?
B3A B7A 1.760(6) . ?
B3A B4A 1.780(5) . ?
B3A B8A 1.785(6) . ?
B3A H3A 1.1000 . ?
C4A O4A 1.190(4) . ?
C4A C5A 1.529(4) . ?
B4A B8A 1.768(5) . ?
B4A B9A 1.782(5) . ?
B4A H4A 1.1000 . ?
C5A C6A 1.642(4) . ?
C5A B13A 1.665(5) . ?
C5A B11A 1.672(5) . ?
C5A B14A 1.684(5) . ?
C5A B12A 1.694(6) . ?
B5A B10A 1.770(6) . ?
B5A B9A 1.778(6) . ?
B5A B6A 1.794(6) . ?
B5A H5A 1.1000 . ?
C6A B11A 1.552(7) . ?
C6A B15A 1.647(6) . ?
C6A B19A 1.697(6) . ?
C6A B14A 1.702(7) . ?
C6A H6C 1.1000 . ?
B6A B7A 1.770(7) . ?
B6A B10A 1.782(6) . ?
B6A H6B 1.1000 . ?
B7A B10A 1.788(6) . ?
B7A B8A 1.793(7) . ?
B7A H7A1 1.1000 . ?
C7A C8A 1.380(6) . ?
C7A H7AA 0.9300 . ?
C8A C9A 1.349(6) . ?
C8A H8AA 0.9300 . ?
B8A B9A 1.771(6) . ?
B8A B10A 1.774(6) . ?
B8A H8A1 1.1000 . ?
B9A B10A 1.759(6) . ?
B9A H9A 1.1000 . ?
C9A C10A 1.350(5) . ?
C9A C12A 1.553(6) . ?
B10A H10B 1.1000 . ?
C10A C11A 1.358(5) . ?
C10A H10C 0.9300 . ?
C11A H11B 0.9300 . ?
B11A B15A 1.679(7) . ?
B11A B16A 1.709(6) . ?
B11A B12A 1.740(8) . ?
B11A H11C 1.1000 . ?
B12A B13A 1.744(10) . ?
B12A B17A 1.747(7) . ?
B12A B16A 1.759(10) . ?
B12A H12D 1.1000 . ?
C12A H12G 0.9600 . ?
C12A H12E 0.9600 . ?
C12A H12F 0.9600 . ?
C13A C14A 1.404(7) . ?
C13A H13B 0.9300 . ?
B13A B17A 1.744(10) . ?
B13A B18A 1.759(7) . ?
B13A B14A 1.772(9) . ?
B13A H13C 1.1000 . ?
C14A C15A 1.329(7) . ?
C14A H14B 0.9300 . ?
B14A B19A 1.752(7) . ?
B14A B18A 1.757(8) . ?
B14A H14C 1.1000 . ?
B15A B19A 1.644(8) . ?
B15A B16A 1.724(9) . ?
B15A B20A 1.769(6) . ?
B15A H15A 1.1000 . ?
C15A C16A 1.320(6) . ?
C15A C18A 1.516(6) . ?
B16A B17A 1.710(10) . ?
B16A B20A 1.734(7) . ?
B16A H16B 1.1000 . ?
C16A C17A 1.380(6) . ?
C16A H16C 0.9300 . ?
B17A B20A 1.725(6) . ?
B17A B18A 1.766(10) . ?
B17A H17B 1.1000 . ?
C17A H17C 0.9300 . ?
B18A B20A 1.720(6) . ?
B18A B19A 1.744(8) . ?
B18A H18D 1.1000 . ?
C18A H18G 0.9600 . ?
C18A H18E 0.9600 . ?
C18A H18F 0.9600 . ?
B19A B20A 1.741(6) . ?
B19A H19A 1.1000 . ?
B20A H20A 1.1000 . ?
O2A Cu1A 2.353(2) 2 ?

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 Cu1 O5 163.96(8) . . ?
O1 Cu1 N1 88.70(10) . . ?
O5 Cu1 N1 90.06(10) . . ?
O1 Cu1 N2 89.57(10) . . ?
O5 Cu1 N2 90.86(10) . . ?
N1 Cu1 N2 176.75(9) . . ?
O1 Cu1 O2 115.33(7) . 2_656 ?
O5 Cu1 O2 80.64(7) . 2_656 ?
N1 Cu1 O2 89.57(8) . 2_656 ?
N2 Cu1 O2 93.66(8) . 2_656 ?
C4 O1 Cu1 122.60(16) . . ?
C4 O2 Cu1 158.00(19) . 2_656 ?
C1 O5 Cu1 107.27(16) . . ?
C7 N1 C11 115.7(3) . . ?
C7 N1 Cu1 122.3(2) . . ?
C11 N1 Cu1 122.0(2) . . ?
O6 C1 O5 126.5(3) . . ?
O6 C1 C2 118.6(2) . . ?
O5 C1 C2 114.8(2) . . ?
C3 B1 B2 103.1(3) . . ?
C3 B1 C2 56.21(19) . . ?
B2 B1 C2 58.30(19) . . ?
C3 B1 B6 102.9(3) . . ?
B2 B1 B6 60.6(2) . . ?
C2 B1 B6 104.4(3) . . ?
C3 B1 B5 57.9(2) . . ?
B2 B1 B5 107.2(3) . . ?
C2 B1 B5 103.5(3) . . ?
B6 B1 B5 59.0(2) . . ?
C3 B1 H1 125.9 . . ?
B2 B1 H1 122.4 . . ?
C2 B1 H1 125.0 . . ?
B6 B1 H1 123.4 . . ?
B5 B1 H1 122.9 . . ?
C17 N2 C13 114.2(3) . . ?
C17 N2 Cu1 123.1(2) . . ?
C13 N2 Cu1 122.3(2) . . ?
C1 C2 C3 116.5(2) . . ?
C1 C2 B3 122.6(2) . . ?
C3 C2 B3 111.7(2) . . ?
C1 C2 B2 123.1(2) . . ?
C3 C2 B2 109.1(2) . . ?
B3 C2 B2 62.5(2) . . ?
C1 C2 B4 115.7(2) . . ?
C3 C2 B4 59.9(2) . . ?
B3 C2 B4 65.7(2) . . ?
B2 C2 B4 115.7(2) . . ?
C1 C2 B1 115.6(3) . . ?
C3 C2 B1 61.3(2) . . ?
B3 C2 B1 113.7(2) . . ?
B2 C2 B1 60.8(2) . . ?
B4 C2 B1 113.8(3) . . ?
C2 B2 B1 60.9(2) . . ?
C2 B2 B3 58.4(2) . . ?
B1 B2 B3 110.5(3) . . ?
C2 B2 B6 106.1(2) . . ?
B1 B2 B6 60.3(2) . . ?
B3 B2 B6 109.1(3) . . ?
C2 B2 B7 104.9(3) . . ?
B1 B2 B7 108.9(3) . . ?
B3 B2 B7 60.6(2) . . ?
B6 B2 B7 59.8(3) . . ?
C2 B2 H2 124.1 . . ?
B1 B2 H2 119.8 . . ?
B3 B2 H2 120.6 . . ?
B6 B2 H2 122.0 . . ?
B7 B2 H2 122.5 . . ?
C2 C3 B9 113.4(3) . . ?
C2 C3 B4 62.2(2) . . ?
B9 C3 B4 64.5(3) . . ?
C2 C3 B5 112.9(2) . . ?
B9 C3 B5 61.5(3) . . ?
B4 C3 B5 115.9(3) . . ?
C2 C3 B1 62.50(19) . . ?
B9 C3 B1 115.2(3) . . ?
B4 C3 B1 116.8(3) . . ?
B5 C3 B1 63.4(2) . . ?
C2 C3 H3B 119.6 . . ?
B9 C3 H3B 117.9 . . ?
B4 C3 H3B 115.8 . . ?
B5 C3 H3B 118.3 . . ?
B1 C3 H3B 116.5 . . ?
C2 B3 B2 59.09(19) . . ?
C2 B3 B7 105.0(3) . . ?
B2 B3 B7 60.1(2) . . ?
C2 B3 B8 104.5(3) . . ?
B2 B3 B8 108.4(3) . . ?
B7 B3 B8 60.4(3) . . ?
C2 B3 B4 57.7(2) . . ?
B2 B3 B4 106.5(3) . . ?
B7 B3 B4 106.4(3) . . ?
B8 B3 B4 59.0(2) . . ?
C2 B3 H3 124.6 . . ?
B2 B3 H3 121.4 . . ?
B7 B3 H3 122.4 . . ?
B8 B3 H3 122.2 . . ?
B4 B3 H3 123.2 . . ?
O2 C4 O1 128.3(2) . . ?
O2 C4 C5 118.1(2) . . ?
O1 C4 C5 113.6(2) . . ?
C3 B4 C2 57.9(2) . . ?
C3 B4 B9 57.7(3) . . ?
C2 B4 B9 104.6(3) . . ?
C3 B4 B8 105.2(3) . . ?
C2 B4 B8 104.0(3) . . ?
B9 B4 B8 61.8(3) . . ?
C3 B4 B3 102.9(3) . . ?
C2 B4 B3 56.61(19) . . ?
B9 B4 B3 107.4(3) . . ?
B8 B4 B3 59.4(2) . . ?
C3 B4 H4 124.9 . . ?
C2 B4 H4 125.1 . . ?
B9 B4 H4 121.8 . . ?
B8 B4 H4 122.3 . . ?
B3 B4 H4 123.8 . . ?
C4 C5 C6 115.9(2) . . ?
C4 C5 B13 122.7(2) . . ?
C6 C5 B13 110.7(2) . . ?
C4 C5 B14 115.3(2) . . ?
C6 C5 B14 61.7(2) . . ?
B13 C5 B14 61.9(2) . . ?
C4 C5 B12 123.0(2) . . ?
C6 C5 B12 110.7(2) . . ?
B13 C5 B12 63.5(2) . . ?
B14 C5 B12 114.7(2) . . ?
C4 C5 B11 116.3(2) . . ?
C6 C5 B11 61.3(2) . . ?
B13 C5 B11 114.5(2) . . ?
B14 C5 B11 114.7(2) . . ?
B12 C5 B11 62.1(2) . . ?
C3 B5 B9 58.1(2) . . ?
C3 B5 B6 103.8(3) . . ?
B9 B5 B6 109.3(4) . . ?
C3 B5 B10 103.1(3) . . ?
B9 B5 B10 59.7(3) . . ?
B6 B5 B10 61.4(3) . . ?
C3 B5 B1 58.7(2) . . ?
B9 B5 B1 108.5(3) . . ?
B6 B5 B1 59.4(2) . . ?
B10 B5 B1 108.2(3) . . ?
C3 B5 H5 126.0 . . ?
B9 B5 H5 121.0 . . ?
B6 B5 H5 121.9 . . ?
B10 B5 H5 122.5 . . ?
B1 B5 H5 121.3 . . ?
C5 C6 B19 111.9(2) . . ?
C5 C6 B15 112.2(2) . . ?
B19 C6 B15 63.7(3) . . ?
C5 C6 B11 61.81(18) . . ?
B19 C6 B11 115.8(3) . . ?
B15 C6 B11 62.9(2) . . ?
C5 C6 B14 61.13(19) . . ?
B19 C6 B14 62.7(2) . . ?
B15 C6 B14 115.3(3) . . ?
B11 C6 B14 114.6(2) . . ?
C5 C6 H6A 120.7 . . ?
B19 C6 H6A 117.6 . . ?
B15 C6 H6A 117.6 . . ?
B11 C6 H6A 117.1 . . ?
B14 C6 H6A 117.7 . . ?
B5 B6 B1 61.6(2) . . ?
B5 B6 B7 108.1(3) . . ?
B1 B6 B7 108.2(3) . . ?
B5 B6 B2 108.0(3) . . ?
B1 B6 B2 59.1(2) . . ?
B7 B6 B2 60.1(2) . . ?
B5 B6 B10 59.7(3) . . ?
B1 B6 B10 108.7(3) . . ?
B7 B6 B10 59.6(3) . . ?
B2 B6 B10 107.1(3) . . ?
B5 B6 H6 121.2 . . ?
B1 B6 H6 121.1 . . ?
B7 B6 H6 121.8 . . ?
B2 B6 H6 122.4 . . ?
B10 B6 H6 122.1 . . ?
N1 C7 C8 124.3(3) . . ?
N1 C7 H7A 117.9 . . ?
C8 C7 H7A 117.9 . . ?
B6 B7 B2 60.1(2) . . ?
B6 B7 B10 61.2(3) . . ?
B2 B7 B10 108.4(3) . . ?
B6 B7 B3 108.3(3) . . ?
B2 B7 B3 59.3(2) . . ?
B10 B7 B3 108.2(3) . . ?
B6 B7 B8 109.1(3) . . ?
B2 B7 B8 107.8(3) . . ?
B10 B7 B8 59.7(3) . . ?
B3 B7 B8 60.4(2) . . ?
B6 B7 H7 120.8 . . ?
B2 B7 H7 122.1 . . ?
B10 B7 H7 121.3 . . ?
B3 B7 H7 121.8 . . ?
B8 B7 H7 121.5 . . ?
C7 C8 C9 119.7(3) . . ?
C7 C8 H8A 120.2 . . ?
C9 C8 H8A 120.2 . . ?
B10 B8 B4 106.0(4) . . ?
B10 B8 B7 59.4(3) . . ?
B4 B8 B7 107.6(3) . . ?
B10 B8 B3 107.0(3) . . ?
B4 B8 B3 61.7(2) . . ?
B7 B8 B3 59.2(2) . . ?
B10 B8 B9 57.6(3) . . ?
B4 B8 B9 58.9(3) . . ?
B7 B8 B9 104.7(4) . . ?
B3 B8 B9 107.0(3) . . ?
B10 B8 H8 123.2 . . ?
B4 B8 H8 121.6 . . ?
B7 B8 H8 122.9 . . ?
B3 B8 H8 121.3 . . ?
B9 B8 H8 124.0 . . ?
C10 C9 C8 116.2(3) . . ?
C10 C9 C12 122.1(3) . . ?
C8 C9 C12 121.6(4) . . ?
C3 B9 B5 60.4(3) . . ?
C3 B9 B10 106.1(3) . . ?
B5 B9 B10 61.5(3) . . ?
C3 B9 B4 57.8(2) . . ?
B5 B9 B4 109.4(3) . . ?
B10 B9 B4 108.1(3) . . ?
C3 B9 B8 103.4(3) . . ?
B5 B9 B8 108.9(3) . . ?
B10 B9 B8 59.6(3) . . ?
B4 B9 B8 59.4(3) . . ?
C3 B9 H9 124.8 . . ?
B5 B9 H9 119.6 . . ?
B10 B9 H9 121.6 . . ?
B4 B9 H9 121.8 . . ?
B8 B9 H9 123.2 . . ?
C11 C10 C9 121.2(3) . . ?
C11 C10 H10A 119.4 . . ?
C9 C10 H10A 119.4 . . ?
B9 B10 B5 58.9(3) . . ?
B9 B10 B7 109.8(3) . . ?
B5 B10 B7 107.1(3) . . ?
B9 B10 B8 62.8(3) . . ?
B5 B10 B8 109.4(3) . . ?
B7 B10 B8 60.8(3) . . ?
B9 B10 B6 106.6(3) . . ?
B5 B10 B6 58.9(3) . . ?
B7 B10 B6 59.2(2) . . ?
B8 B10 B6 108.3(3) . . ?
B9 B10 H10 121.0 . . ?
B5 B10 H10 122.5 . . ?
B7 B10 H10 121.5 . . ?
B8 B10 H10 119.7 . . ?
B6 B10 H10 123.1 . . ?
C6 B11 C5 56.90(17) . . ?
C6 B11 B16 104.6(3) . . ?
C5 B11 B16 104.6(2) . . ?
C6 B11 B15 57.9(2) . . ?
C5 B11 B15 104.2(3) . . ?
B16 B11 B15 60.9(2) . . ?
C6 B11 B12 104.7(2) . . ?
C5 B11 B12 58.95(18) . . ?
B16 B11 B12 59.8(2) . . ?
B15 B11 B12 108.6(3) . . ?
C6 B11 H11 125.0 . . ?
C5 B11 H11 124.8 . . ?
B16 B11 H11 122.8 . . ?
B15 B11 H11 122.0 . . ?
B12 B11 H11 121.8 . . ?
N1 C11 C10 123.0(3) . . ?
N1 C11 H11A 118.5 . . ?
C10 C11 H11A 118.5 . . ?
C5 B12 B16 104.6(3) . . ?
C5 B12 B11 58.99(18) . . ?
B16 B12 B11 59.7(2) . . ?
C5 B12 B17 103.1(3) . . ?
B16 B12 B17 60.0(2) . . ?
B11 B12 B17 107.0(3) . . ?
C5 B12 B13 57.81(18) . . ?
B16 B12 B13 107.6(3) . . ?
B11 B12 B13 107.3(3) . . ?
B17 B12 B13 59.2(2) . . ?
C5 B12 H12 125.3 . . ?
B16 B12 H12 122.2 . . ?
B11 B12 H12 121.7 . . ?
B17 B12 H12 123.3 . . ?
B13 B12 H12 122.1 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C5 B13 B18 104.9(3) . . ?
C5 B13 B14 59.08(19) . . ?
B18 B13 B14 60.2(2) . . ?
C5 B13 B17 104.3(3) . . ?
B18 B13 B17 59.6(2) . . ?
B14 B13 B17 107.7(3) . . ?
C5 B13 B12 58.71(18) . . ?
B18 B13 B12 107.9(3) . . ?
B14 B13 B12 108.5(3) . . ?
B17 B13 B12 59.8(2) . . ?
C5 B13 H13 124.7 . . ?
B18 B13 H13 122.4 . . ?
B14 B13 H13 121.2 . . ?
B17 B13 H13 122.9 . . ?
B12 B13 H13 121.3 . . ?
C14 C13 N2 123.0(3) . . ?
C14 C13 H13A 118.5 . . ?
N2 C13 H13A 118.5 . . ?
C5 B14 C6 57.15(17) . . ?
C5 B14 B13 59.00(19) . . ?
C6 B14 B13 104.7(3) . . ?
C5 B14 B18 104.6(3) . . ?
C6 B14 B18 104.0(3) . . ?
B13 B14 B18 59.9(2) . . ?
C5 B14 B19 104.8(3) . . ?
C6 B14 B19 57.9(2) . . ?
B13 B14 B19 108.9(3) . . ?
B18 B14 B19 60.8(2) . . ?
C5 B14 H14 124.5 . . ?
C6 B14 H14 125.2 . . ?
B13 B14 H14 121.7 . . ?
B18 B14 H14 123.1 . . ?
B19 B14 H14 121.8 . . ?
C13 C14 C15 121.5(3) . . ?
C13 C14 H14A 119.3 . . ?
C15 C14 H14A 119.3 . . ?
C16 C15 C14 114.2(3) . . ?
C16 C15 C18 122.6(4) . . ?
C14 C15 C18 123.0(3) . . ?
C6 B15 B20 104.6(3) . . ?
C6 B15 B11 59.25(19) . . ?
B20 B15 B11 107.3(3) . . ?
C6 B15 B19 58.1(2) . . ?
B20 B15 B19 61.0(2) . . ?
B11 B15 B19 108.2(3) . . ?
C6 B15 B16 104.3(3) . . ?
B20 B15 B16 59.5(2) . . ?
B11 B15 B16 59.2(2) . . ?
B19 B15 B16 108.3(3) . . ?
C6 B15 H15 124.9 . . ?
B20 B15 H15 122.4 . . ?
B11 B15 H15 121.7 . . ?
B19 B15 H15 121.0 . . ?
B16 B15 H15 122.8 . . ?
B11 B16 B12 60.5(2) . . ?
B11 B16 B20 107.7(3) . . ?
B12 B16 B20 108.5(3) . . ?
B11 B16 B17 107.9(3) . . ?
B12 B16 B17 60.5(2) . . ?
B20 B16 B17 59.5(2) . . ?
B11 B16 B15 59.9(2) . . ?
B12 B16 B15 108.3(2) . . ?
B20 B16 B15 59.4(2) . . ?
B17 B16 B15 106.7(3) . . ?
B11 B16 H16 121.6 . . ?
B12 B16 H16 120.9 . . ?
B20 B16 H16 122.0 . . ?
B17 B16 H16 122.2 . . ?
B15 B16 H16 122.3 . . ?
C15 C16 C17 121.7(3) . . ?
C15 C16 H16A 119.1 . . ?
C17 C16 H16A 119.1 . . ?
B18 B17 B20 61.5(3) . . ?
B18 B17 B13 59.7(2) . . ?
B20 B17 B13 109.0(3) . . ?
B18 B17 B16 109.4(3) . . ?
B20 B17 B16 60.0(3) . . ?
B13 B17 B16 108.6(2) . . ?
B18 B17 B12 109.0(3) . . ?
B20 B17 B12 108.2(3) . . ?
B13 B17 B12 61.0(2) . . ?
B16 B17 B12 59.5(2) . . ?
B18 B17 H17 120.7 . . ?
B20 B17 H17 121.1 . . ?
B13 B17 H17 121.2 . . ?
B16 B17 H17 121.5 . . ?
B12 B17 H17 121.5 . . ?
N2 C17 C16 125.2(3) . . ?
N2 C17 H17A 117.4 . . ?
C16 C17 H17A 117.4 . . ?
B17 B18 B13 60.7(2) . . ?
B17 B18 B14 108.4(3) . . ?
B13 B18 B14 60.0(2) . . ?
B17 B18 B19 108.3(3) . . ?
B13 B18 B19 108.3(3) . . ?
B14 B18 B19 60.0(2) . . ?
B17 B18 B20 59.4(2) . . ?
B13 B18 B20 108.1(3) . . ?
B14 B18 B20 108.1(3) . . ?
B19 B18 B20 60.5(3) . . ?
B17 B18 H18 121.5 . . ?
B13 B18 H18 121.4 . . ?
B14 B18 H18 121.7 . . ?
B19 B18 H18 121.4 . . ?
B20 B18 H18 121.8 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C6 B19 B14 59.4(2) . . ?
C6 B19 B15 58.2(2) . . ?
B14 B19 B15 108.1(3) . . ?
C6 B19 B18 104.0(3) . . ?
B14 B19 B18 59.3(2) . . ?
B15 B19 B18 107.2(3) . . ?
C6 B19 B20 103.0(3) . . ?
B14 B19 B20 107.1(3) . . ?
B15 B19 B20 59.0(3) . . ?
B18 B19 B20 59.9(3) . . ?
C6 B19 H19 125.2 . . ?
B14 B19 H19 121.4 . . ?
B15 B19 H19 121.9 . . ?
B18 B19 H19 122.8 . . ?
B20 B19 H19 123.4 . . ?
B17 B20 B15 108.9(3) . . ?
B17 B20 B16 60.5(2) . . ?
B15 B20 B16 61.1(3) . . ?
B17 B20 B18 59.1(2) . . ?
B15 B20 B18 107.7(3) . . ?
B16 B20 B18 107.8(3) . . ?
B17 B20 B19 107.3(3) . . ?
B15 B20 B19 60.0(2) . . ?
B16 B20 B19 108.7(3) . . ?
B18 B20 B19 59.6(3) . . ?
B17 B20 H20 121.9 . . ?
B15 B20 H20 121.1 . . ?
B16 B20 H20 120.9 . . ?
B18 B20 H20 122.5 . . ?
B19 B20 H20 121.9 . . ?
O1A Cu1A O3A 163.96(8) . . ?
O1A Cu1A N2A 89.13(10) . . ?
O3A Cu1A N2A 89.35(10) . . ?
O1A Cu1A N1A 89.89(10) . . ?
O3A Cu1A N1A 91.19(10) . . ?
N2A Cu1A N1A 178.26(9) . . ?
O1A Cu1A O2A 112.13(8) . 2 ?
O3A Cu1A O2A 83.83(8) . 2 ?
N2A Cu1A O2A 90.13(10) . 2 ?
N1A Cu1A O2A 91.58(10) . 2 ?
C1A O1A Cu1A 125.62(17) . . ?
O2A C1A O1A 128.8(2) . . ?
O2A C1A C2A 117.8(2) . . ?
O1A C1A C2A 113.4(2) . . ?
C7A N1A C11A 114.0(3) . . ?
C7A N1A Cu1A 121.1(2) . . ?
C11A N1A Cu1A 124.9(2) . . ?
C3A B1A C2A 57.00(16) . . ?
C3A B1A B2A 103.7(3) . . ?
C2A B1A B2A 58.13(19) . . ?
C3A B1A B6A 103.5(3) . . ?
C2A B1A B6A 103.9(3) . . ?
B2A B1A B6A 59.9(2) . . ?
C3A B1A B5A 57.44(19) . . ?
C2A B1A B5A 103.8(2) . . ?
B2A B1A B5A 107.7(3) . . ?
B6A B1A B5A 60.3(2) . . ?
C3A B1A H1A 125.5 . . ?
C2A B1A H1A 125.0 . . ?
B2A B1A H1A 122.4 . . ?
B6A B1A H1A 123.3 . . ?
B5A B1A H1A 122.5 . . ?
C1A C2A C3A 115.7(2) . . ?
C1A C2A B2A 123.7(2) . . ?
C3A C2A B2A 110.5(2) . . ?
C1A C2A B3A 122.7(2) . . ?
C3A C2A B3A 110.6(2) . . ?
B2A C2A B3A 63.0(2) . . ?
C1A C2A B1A 116.2(2) . . ?
C3A C2A B1A 61.40(18) . . ?
B2A C2A B1A 62.3(2) . . ?
B3A C2A B1A 114.7(2) . . ?
C1A C2A B4A 114.8(2) . . ?
C3A C2A B4A 61.49(18) . . ?
B2A C2A B4A 114.5(2) . . ?
B3A C2A B4A 62.3(2) . . ?
B1A C2A B4A 114.9(2) . . ?
C17A N2A C13A 113.8(4) . . ?
C17A N2A Cu1A 121.9(2) . . ?
C13A N2A Cu1A 124.2(3) . . ?
C2A B2A B7A 104.6(3) . . ?
C2A B2A B6A 105.3(2) . . ?
B7A B2A B6A 60.1(2) . . ?
C2A B2A B1A 59.53(18) . . ?
B7A B2A B1A 108.5(3) . . ?
B6A B2A B1A 60.3(2) . . ?
C2A B2A B3A 58.73(19) . . ?
B7A B2A B3A 59.6(2) . . ?
B6A B2A B3A 107.9(3) . . ?
B1A B2A B3A 108.8(3) . . ?
C2A B2A H2A 124.5 . . ?
B7A B2A H2A 122.6 . . ?
B6A B2A H2A 122.2 . . ?
B1A B2A H2A 120.7 . . ?
B3A B2A H2A 121.5 . . ?
C4A O3A Cu1A 108.57(18) . . ?
C2A C3A B5A 112.1(2) . . ?
C2A C3A B9A 111.7(2) . . ?
B5A C3A B9A 63.2(2) . . ?
C2A C3A B1A 61.60(17) . . ?
B5A C3A B1A 63.3(2) . . ?
B9A C3A B1A 115.6(2) . . ?
C2A C3A B4A 61.73(19) . . ?
B5A C3A B4A 115.3(2) . . ?
B9A C3A B4A 62.5(2) . . ?
B1A C3A B4A 115.2(2) . . ?
C2A C3A H3C 120.7 . . ?
B5A C3A H3C 117.7 . . ?
B9A C3A H3C 118.1 . . ?
B1A C3A H3C 116.9 . . ?
B4A C3A H3C 117.3 . . ?
C2A B3A B7A 104.3(3) . . ?
C2A B3A B4A 59.50(19) . . ?
B7A B3A B4A 108.2(3) . . ?
C2A B3A B2A 58.26(19) . . ?
B7A B3A B2A 59.7(2) . . ?
B4A B3A B2A 108.3(3) . . ?
C2A B3A B8A 104.9(3) . . ?
B7A B3A B8A 60.8(2) . . ?
B4A B3A B8A 59.5(2) . . ?
B2A B3A B8A 108.3(3) . . ?
C2A B3A H3A 124.8 . . ?
B7A B3A H3A 122.3 . . ?
B4A B3A H3A 121.2 . . ?
B2A B3A H3A 121.6 . . ?
B8A B3A H3A 122.2 . . ?
O4A C4A O3A 125.4(3) . . ?
O4A C4A C5A 118.8(3) . . ?
O3A C4A C5A 115.8(2) . . ?
C3A B4A C2A 56.78(17) . . ?
C3A B4A B8A 103.9(3) . . ?
C2A B4A B8A 104.6(3) . . ?
C3A B4A B3A 103.7(3) . . ?
C2A B4A B3A 58.2(2) . . ?
B8A B4A B3A 60.4(2) . . ?
C3A B4A B9A 58.07(19) . . ?
C2A B4A B9A 104.1(2) . . ?
B8A B4A B9A 59.9(2) . . ?
B3A B4A B9A 107.8(3) . . ?
C3A B4A H4A 125.4 . . ?
C2A B4A H4A 124.8 . . ?
B8A B4A H4A 123.0 . . ?
B3A B4A H4A 122.3 . . ?
B9A B4A H4A 122.4 . . ?
C4A C5A C6A 116.0(2) . . ?
C4A C5A B13A 126.1(2) . . ?
C6A C5A B13A 111.3(3) . . ?
C4A C5A B11A 115.9(2) . . ?
C6A C5A B11A 55.8(3) . . ?
B13A C5A B11A 111.0(3) . . ?
C4A C5A B14A 120.5(3) . . ?
C6A C5A B14A 61.5(3) . . ?
B13A C5A B14A 63.9(4) . . ?
B11A C5A B14A 108.2(3) . . ?
C4A C5A B12A 120.4(3) . . ?
C6A C5A B12A 108.7(3) . . ?
B13A C5A B12A 62.5(4) . . ?
B11A C5A B12A 62.3(3) . . ?
B14A C5A B12A 114.6(3) . . ?
C3A B5A B10A 104.0(3) . . ?
C3A B5A B9A 58.8(2) . . ?
B10A B5A B9A 59.4(2) . . ?
C3A B5A B1A 59.26(18) . . ?
B10A B5A B1A 107.7(3) . . ?
B9A B5A B1A 108.7(2) . . ?
C3A B5A B6A 104.3(2) . . ?
B10A B5A B6A 60.0(2) . . ?
B9A B5A B6A 107.7(3) . . ?
B1A B5A B6A 59.5(2) . . ?
C3A B5A H5A 124.9 . . ?
B10A B5A H5A 122.9 . . ?
B9A B5A H5A 121.4 . . ?
B1A B5A H5A 121.1 . . ?
B6A B5A H5A 122.7 . . ?
B11A C6A C5A 63.1(2) . . ?
B11A C6A B15A 63.2(3) . . ?
C5A C6A B15A 112.9(3) . . ?
B11A C6A B19A 110.8(3) . . ?
C5A C6A B19A 109.8(3) . . ?
B15A C6A B19A 58.9(3) . . ?
B11A C6A B14A 113.3(3) . . ?
C5A C6A B14A 60.5(2) . . ?
B15A C6A B14A 111.6(3) . . ?
B19A C6A B14A 62.1(3) . . ?
B11A C6A H6C 117.9 . . ?
C5A C6A H6C 119.6 . . ?
B15A C6A H6C 119.4 . . ?
B19A C6A H6C 121.6 . . ?
B14A C6A H6C 119.1 . . ?
B7A B6A B2A 59.7(2) . . ?
B7A B6A B1A 107.9(3) . . ?
B2A B6A B1A 59.9(2) . . ?
B7A B6A B10A 60.4(3) . . ?
B2A B6A B10A 107.8(3) . . ?
B1A B6A B10A 107.7(3) . . ?
B7A B6A B5A 107.8(3) . . ?
B2A B6A B5A 107.6(2) . . ?
B1A B6A B5A 60.1(2) . . ?
B10A B6A B5A 59.3(2) . . ?
B7A B6A H6B 121.7 . . ?
B2A B6A H6B 122.0 . . ?
B1A B6A H6B 121.7 . . ?
B10A B6A H6B 121.9 . . ?
B5A B6A H6B 122.0 . . ?
B3A B7A B2A 60.8(2) . . ?
B3A B7A B6A 109.1(3) . . ?
B2A B7A B6A 60.3(2) . . ?
B3A B7A B10A 107.7(3) . . ?
B2A B7A B10A 108.0(3) . . ?
B6A B7A B10A 60.1(2) . . ?
B3A B7A B8A 60.3(2) . . ?
B2A B7A B8A 108.8(3) . . ?
B6A B7A B8A 108.4(3) . . ?
B10A B7A B8A 59.4(2) . . ?
B3A B7A H7A1 121.2 . . ?
B2A B7A H7A1 121.2 . . ?
B6A B7A H7A1 121.2 . . ?
B10A B7A H7A1 122.3 . . ?
B8A B7A H7A1 121.6 . . ?
N1A C7A C8A 123.2(4) . . ?
N1A C7A H7AA 118.4 . . ?
C8A C7A H7AA 118.4 . . ?
C9A C8A C7A 121.4(4) . . ?
C9A C8A H8AA 119.3 . . ?
C7A C8A H8AA 119.3 . . ?
B4A B8A B9A 60.4(2) . . ?
B4A B8A B10A 107.8(3) . . ?
B9A B8A B10A 59.5(2) . . ?
B4A B8A B3A 60.1(2) . . ?
B9A B8A B3A 108.0(3) . . ?
B10A B8A B3A 107.3(3) . . ?
B4A B8A B7A 107.3(3) . . ?
B9A B8A B7A 107.5(3) . . ?
B10A B8A B7A 60.2(3) . . ?
B3A B8A B7A 58.9(2) . . ?
B4A B8A H8A1 121.6 . . ?
B9A B8A H8A1 121.7 . . ?
B10A B8A H8A1 122.0 . . ?
B3A B8A H8A1 122.1 . . ?
B7A B8A H8A1 122.3 . . ?
C3A B9A B10A 103.9(3) . . ?
C3A B9A B8A 104.8(3) . . ?
B10A B9A B8A 60.3(2) . . ?
C3A B9A B5A 58.00(19) . . ?
B10A B9A B5A 60.1(2) . . ?
B8A B9A B5A 108.6(3) . . ?
C3A B9A B4A 59.41(18) . . ?
B10A B9A B4A 107.9(3) . . ?
B8A B9A B4A 59.7(2) . . ?
B5A B9A B4A 108.4(3) . . ?
C3A B9A H9A 125.1 . . ?
B10A B9A H9A 122.6 . . ?
B8A B9A H9A 122.1 . . ?
B5A B9A H9A 121.3 . . ?
B4A B9A H9A 121.2 . . ?
C8A C9A C10A 115.9(4) . . ?
C8A C9A C12A 121.7(4) . . ?
C10A C9A C12A 122.4(4) . . ?
B9A B10A B5A 60.5(2) . . ?
B9A B10A B8A 60.2(2) . . ?
B5A B10A B8A 108.9(3) . . ?
B9A B10A B6A 109.1(3) . . ?
B5A B10A B6A 60.7(2) . . ?
B8A B10A B6A 108.7(3) . . ?
B9A B10A B7A 108.3(3) . . ?
B5A B10A B7A 108.0(3) . . ?
B8A B10A B7A 60.5(3) . . ?
B6A B10A B7A 59.4(3) . . ?
B9A B10A H10B 121.2 . . ?
B5A B10A H10B 121.2 . . ?
B8A B10A H10B 121.2 . . ?
B6A B10A H10B 121.2 . . ?
B7A B10A H10B 122.0 . . ?
C9A C10A C11A 120.0(4) . . ?
C9A C10A H10C 120.0 . . ?
C11A C10A H10C 120.0 . . ?
N1A C11A C10A 125.3(3) . . ?
N1A C11A H11B 117.4 . . ?
C10A C11A H11B 117.4 . . ?
C6A B11A C5A 61.1(2) . . ?
C6A B11A B15A 61.2(3) . . ?
C5A B11A B15A 109.7(4) . . ?
C6A B11A B16A 110.0(4) . . ?
C5A B11A B16A 107.8(3) . . ?
B15A B11A B16A 61.2(3) . . ?
C6A B11A B12A 110.7(4) . . ?
C5A B11A B12A 59.5(3) . . ?
B15A B11A B12A 111.8(3) . . ?
B16A B11A B12A 61.3(4) . . ?
C6A B11A H11C 120.0 . . ?
C5A B11A H11C 122.0 . . ?
B15A B11A H11C 119.6 . . ?
B16A B11A H11C 121.1 . . ?
B12A B11A H11C 119.8 . . ?
C5A B12A B11A 58.3(2) . . ?
C5A B12A B13A 57.9(3) . . ?
B11A B12A B13A 104.3(3) . . ?
C5A B12A B17A 104.7(4) . . ?
B11A B12A B17A 104.1(4) . . ?
B13A B12A B17A 60.0(4) . . ?
C5A B12A B16A 104.6(4) . . ?
B11A B12A B16A 58.4(4) . . ?
B13A B12A B16A 105.8(3) . . ?
B17A B12A B16A 58.4(3) . . ?
C5A B12A H12D 124.1 . . ?
B11A B12A H12D 124.2 . . ?
B13A B12A H12D 123.1 . . ?
B17A B12A H12D 123.5 . . ?
B16A B12A H12D 123.3 . . ?
C9A C12A H12G 109.5 . . ?
C9A C12A H12E 109.5 . . ?
H12G C12A H12E 109.5 . . ?
C9A C12A H12F 109.5 . . ?
H12G C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
N2A C13A C14A 123.1(5) . . ?
N2A C13A H13B 118.4 . . ?
C14A C13A H13B 118.4 . . ?
C5A B13A B12A 59.5(2) . . ?
C5A B13A B17A 106.0(4) . . ?
B12A B13A B17A 60.1(4) . . ?
C5A B13A B18A 105.7(3) . . ?
B12A B13A B18A 108.7(4) . . ?
B17A B13A B18A 60.6(3) . . ?
C5A B13A B14A 58.6(3) . . ?
B12A B13A B14A 107.9(3) . . ?
B17A B13A B14A 107.9(3) . . ?
B18A B13A B14A 59.7(4) . . ?
C5A B13A H13C 123.8 . . ?
B12A B13A H13C 121.2 . . ?
B17A B13A H13C 121.9 . . ?
B18A B13A H13C 121.9 . . ?
B14A B13A H13C 122.0 . . ?
C15A C14A C13A 121.1(5) . . ?
C15A C14A H14B 119.5 . . ?
C13A C14A H14B 119.5 . . ?
C5A B14A C6A 58.0(2) . . ?
C5A B14A B19A 105.3(3) . . ?
C6A B14A B19A 58.8(3) . . ?
C5A B14A B18A 104.9(4) . . ?
C6A B14A B18A 104.9(3) . . ?
B19A B14A B18A 59.6(3) . . ?
C5A B14A B13A 57.5(3) . . ?
C6A B14A B13A 103.7(4) . . ?
B19A B14A B13A 106.5(4) . . ?
B18A B14A B13A 59.8(3) . . ?
C5A B14A H14C 124.1 . . ?
C6A B14A H14C 124.3 . . ?
B19A B14A H14C 122.4 . . ?
B18A B14A H14C 122.8 . . ?
B13A B14A H14C 123.5 . . ?
B19A B15A C6A 62.1(3) . . ?
B19A B15A B11A 107.3(3) . . ?
C6A B15A B11A 55.6(2) . . ?
B19A B15A B16A 108.8(4) . . ?
C6A B15A B16A 104.8(3) . . ?
B11A B15A B16A 60.3(3) . . ?
B19A B15A B20A 61.2(3) . . ?
C6A B15A B20A 108.3(3) . . ?
B11A B15A B20A 107.4(3) . . ?
B16A B15A B20A 59.5(3) . . ?
B19A B15A H15A 120.1 . . ?
C6A B15A H15A 123.4 . . ?
B11A B15A H15A 123.5 . . ?
B16A B15A H15A 122.4 . . ?
B20A B15A H15A 121.2 . . ?
C16A C15A C14A 115.6(4) . . ?
C16A C15A C18A 123.5(4) . . ?
C14A C15A C18A 120.8(4) . . ?
B11A B16A B17A 107.1(4) . . ?
B11A B16A B15A 58.6(3) . . ?
B17A B16A B15A 108.8(4) . . ?
B11A B16A B20A 107.6(4) . . ?
B17A B16A B20A 60.1(3) . . ?
B15A B16A B20A 61.5(3) . . ?
B11A B16A B12A 60.2(3) . . ?
B17A B16A B12A 60.4(4) . . ?
B15A B16A B12A 108.7(3) . . ?
B20A B16A B12A 109.5(4) . . ?
B11A B16A H16B 123.0 . . ?
B17A B16A H16B 121.8 . . ?
B15A B16A H16B 121.3 . . ?
B20A B16A H16B 120.8 . . ?
B12A B16A H16B 120.7 . . ?
C15A C16A C17A 122.1(5) . . ?
C15A C16A H16C 119.0 . . ?
C17A C16A H16C 119.0 . . ?
B16A B17A B20A 60.7(3) . . ?
B16A B17A B13A 108.0(3) . . ?
B20A B17A B13A 108.6(4) . . ?
B16A B17A B12A 61.2(4) . . ?
B20A B17A B12A 110.6(4) . . ?
B13A B17A B12A 59.9(3) . . ?
B16A B17A B18A 106.6(4) . . ?
B20A B17A B18A 59.0(3) . . ?
B13A B17A B18A 60.1(4) . . ?
B12A B17A B18A 108.2(4) . . ?
B16A B17A H17B 121.8 . . ?
B20A B17A H17B 120.7 . . ?
B13A B17A H17B 121.7 . . ?
B12A B17A H17B 120.3 . . ?
B18A B17A H17B 122.8 . . ?
N2A C17A C16A 124.1(4) . . ?
N2A C17A H17C 117.9 . . ?
C16A C17A H17C 118.0 . . ?
B20A B18A B19A 60.3(3) . . ?
B20A B18A B14A 109.5(3) . . ?
B19A B18A B14A 60.1(3) . . ?
B20A B18A B13A 108.1(4) . . ?
B19A B18A B13A 107.4(3) . . ?
B14A B18A B13A 60.5(3) . . ?
B20A B18A B17A 59.3(3) . . ?
B19A B18A B17A 106.1(4) . . ?
B14A B18A B17A 107.5(3) . . ?
B13A B18A B17A 59.3(4) . . ?
B20A B18A H18D 121.0 . . ?
B19A B18A H18D 122.5 . . ?
B14A B18A H18D 120.9 . . ?
B13A B18A H18D 121.8 . . ?
B17A B18A H18D 123.1 . . ?
C15A C18A H18G 109.5 . . ?
C15A C18A H18E 109.5 . . ?
H18G C18A H18E 109.5 . . ?
C15A C18A H18F 109.5 . . ?
H18G C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
B15A B19A C6A 59.0(3) . . ?
B15A B19A B20A 62.9(3) . . ?
C6A B19A B20A 107.4(4) . . ?
B15A B19A B18A 109.7(4) . . ?
C6A B19A B18A 105.7(3) . . ?
B20A B19A B18A 59.1(3) . . ?
B15A B19A B14A 109.2(3) . . ?
C6A B19A B14A 59.1(3) . . ?
B20A B19A B14A 108.7(4) . . ?
B18A B19A B14A 60.3(3) . . ?
B15A B19A H19A 119.8 . . ?
C6A B19A H19A 123.8 . . ?
B20A B19A H19A 121.0 . . ?
B18A B19A H19A 122.3 . . ?
B14A B19A H19A 121.2 . . ?
B18A B20A B17A 61.7(4) . . ?
B18A B20A B16A 107.6(3) . . ?
B17A B20A B16A 59.3(4) . . ?
B18A B20A B19A 60.5(3) . . ?
B17A B20A B19A 108.1(3) . . ?
B16A B20A B19A 104.0(3) . . ?
B18A B20A B15A 105.2(3) . . ?
B17A B20A B15A 106.1(3) . . ?
B16A B20A B15A 58.9(3) . . ?
B19A B20A B15A 55.9(3) . . ?
B18A B20A H20A 121.2 . . ?
B17A B20A H20A 121.1 . . ?
B16A B20A H20A 123.2 . . ?
B19A B20A H20A 123.7 . . ?
B15A B20A H20A 124.6 . . ?
C1A O2A Cu1A 167.1(2) . 2 ?

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
Cu1 O5 C1 O6 -3.4(4) . . . . ?
Cu1 O5 C1 C2 176.0(2) . . . . ?
O6 C1 C2 C3 8.9(4) . . . . ?
O5 C1 C2 C3 -170.5(3) . . . . ?
O6 C1 C2 B3 -135.2(3) . . . . ?
O5 C1 C2 B3 45.4(4) . . . . ?
O6 C1 C2 B2 148.5(3) . . . . ?
O5 C1 C2 B2 -30.9(4) . . . . ?
O6 C1 C2 B4 -58.7(4) . . . . ?
O5 C1 C2 B4 121.9(3) . . . . ?
O6 C1 C2 B1 78.0(4) . . . . ?
O5 C1 C2 B1 -101.4(3) . . . . ?
C3 B1 C2 C1 -107.6(2) . . . . ?
B2 B1 C2 C1 115.2(3) . . . . ?
B6 B1 C2 C1 156.4(2) . . . . ?
B5 B1 C2 C1 -142.7(3) . . . . ?
B2 B1 C2 C3 -137.2(3) . . . . ?
B6 B1 C2 C3 -96.1(3) . . . . ?
B5 B1 C2 C3 -35.1(2) . . . . ?
C3 B1 C2 B3 102.7(3) . . . . ?
B2 B1 C2 B3 -34.5(3) . . . . ?
B6 B1 C2 B3 6.6(3) . . . . ?
B5 B1 C2 B3 67.6(3) . . . . ?
C3 B1 C2 B2 137.2(3) . . . . ?
B6 B1 C2 B2 41.1(2) . . . . ?
B5 B1 C2 B2 102.1(3) . . . . ?
C3 B1 C2 B4 30.0(3) . . . . ?
B2 B1 C2 B4 -107.2(3) . . . . ?
B6 B1 C2 B4 -66.1(3) . . . . ?
B5 B1 C2 B4 -5.1(4) . . . . ?
C1 C2 B2 B1 -103.1(3) . . . . ?
C3 C2 B2 B1 39.1(3) . . . . ?
B3 C2 B2 B1 144.2(3) . . . . ?
B4 C2 B2 B1 104.1(3) . . . . ?
C1 C2 B2 B3 112.7(3) . . . . ?
C3 C2 B2 B3 -105.2(3) . . . . ?
B4 C2 B2 B3 -40.1(3) . . . . ?
B1 C2 B2 B3 -144.2(3) . . . . ?
C1 C2 B2 B6 -144.5(3) . . . . ?
C3 C2 B2 B6 -2.3(4) . . . . ?
B3 C2 B2 B6 102.9(3) . . . . ?
B4 C2 B2 B6 62.8(4) . . . . ?
B1 C2 B2 B6 -41.4(3) . . . . ?
C1 C2 B2 B7 153.2(3) . . . . ?
C3 C2 B2 B7 -64.6(3) . . . . ?
B3 C2 B2 B7 40.5(3) . . . . ?
B4 C2 B2 B7 0.5(4) . . . . ?
B1 C2 B2 B7 -103.7(3) . . . . ?
C3 B1 B2 C2 -35.4(2) . . . . ?
B6 B1 B2 C2 -133.0(3) . . . . ?
B5 B1 B2 C2 -95.5(3) . . . . ?
C3 B1 B2 B3 -3.3(3) . . . . ?
C2 B1 B2 B3 32.1(2) . . . . ?
B6 B1 B2 B3 -100.9(3) . . . . ?
B5 B1 B2 B3 -63.4(3) . . . . ?
C3 B1 B2 B6 97.6(3) . . . . ?
C2 B1 B2 B6 133.0(3) . . . . ?
B5 B1 B2 B6 37.5(3) . . . . ?
C3 B1 B2 B7 61.4(3) . . . . ?
C2 B1 B2 B7 96.9(3) . . . . ?
B6 B1 B2 B7 -36.2(3) . . . . ?
B5 B1 B2 B7 1.4(4) . . . . ?
C1 C2 C3 B9 -146.5(3) . . . . ?
B3 C2 C3 B9 1.3(4) . . . . ?
B2 C2 C3 B9 68.5(4) . . . . ?
B4 C2 C3 B9 -40.7(3) . . . . ?
B1 C2 C3 B9 107.4(3) . . . . ?
C1 C2 C3 B4 -105.8(3) . . . . ?
B3 C2 C3 B4 42.1(3) . . . . ?
B2 C2 C3 B4 109.2(3) . . . . ?
B1 C2 C3 B4 148.1(3) . . . . ?
C1 C2 C3 B5 146.0(3) . . . . ?
B3 C2 C3 B5 -66.2(4) . . . . ?
B2 C2 C3 B5 1.0(4) . . . . ?
B4 C2 C3 B5 -108.3(3) . . . . ?
B1 C2 C3 B5 39.8(3) . . . . ?
C1 C2 C3 B1 106.1(3) . . . . ?
B3 C2 C3 B1 -106.0(3) . . . . ?
B2 C2 C3 B1 -38.9(3) . . . . ?
B4 C2 C3 B1 -148.1(3) . . . . ?
B2 B1 C3 C2 36.4(2) . . . . ?
B6 B1 C3 C2 98.8(3) . . . . ?
B5 B1 C3 C2 138.7(3) . . . . ?
B2 B1 C3 B9 -68.0(4) . . . . ?
C2 B1 C3 B9 -104.4(3) . . . . ?
B6 B1 C3 B9 -5.6(4) . . . . ?
B5 B1 C3 B9 34.3(3) . . . . ?
B2 B1 C3 B4 4.8(4) . . . . ?
C2 B1 C3 B4 -31.6(3) . . . . ?
B6 B1 C3 B4 67.2(3) . . . . ?
B5 B1 C3 B4 107.1(3) . . . . ?
B2 B1 C3 B5 -102.3(3) . . . . ?
C2 B1 C3 B5 -138.7(3) . . . . ?
B6 B1 C3 B5 -39.9(3) . . . . ?
C1 C2 B3 B2 -113.5(3) . . . . ?
C3 C2 B3 B2 100.9(3) . . . . ?
B4 C2 B3 B2 140.5(3) . . . . ?
B1 C2 B3 B2 33.9(3) . . . . ?
C1 C2 B3 B7 -153.8(3) . . . . ?
C3 C2 B3 B7 60.6(3) . . . . ?
B2 C2 B3 B7 -40.4(2) . . . . ?
B4 C2 B3 B7 100.1(3) . . . . ?
B1 C2 B3 B7 -6.5(3) . . . . ?
C1 C2 B3 B8 143.5(3) . . . . ?
C3 C2 B3 B8 -2.1(4) . . . . ?
B2 C2 B3 B8 -103.0(3) . . . . ?
B4 C2 B3 B8 37.4(3) . . . . ?
B1 C2 B3 B8 -69.1(4) . . . . ?
C1 C2 B3 B4 106.1(3) . . . . ?
C3 C2 B3 B4 -39.5(3) . . . . ?
B2 C2 B3 B4 -140.5(3) . . . . ?
B1 C2 B3 B4 -106.6(3) . . . . ?
B1 B2 B3 C2 -33.0(2) . . . . ?
B6 B2 B3 C2 -97.5(3) . . . . ?
B7 B2 B3 C2 -133.8(3) . . . . ?
C2 B2 B3 B7 133.8(3) . . . . ?
B1 B2 B3 B7 100.8(3) . . . . ?
B6 B2 B3 B7 36.3(3) . . . . ?
C2 B2 B3 B8 96.2(3) . . . . ?
B1 B2 B3 B8 63.2(4) . . . . ?
B6 B2 B3 B8 -1.3(4) . . . . ?
B7 B2 B3 B8 -37.6(3) . . . . ?
C2 B2 B3 B4 34.1(2) . . . . ?
B1 B2 B3 B4 1.1(3) . . . . ?
B6 B2 B3 B4 -63.4(3) . . . . ?
B7 B2 B3 B4 -99.7(3) . . . . ?
Cu1 O2 C4 O1 62.1(6) 2_656 . . . ?
Cu1 O2 C4 C5 -119.5(4) 2_656 . . . ?
Cu1 O1 C4 O2 7.4(4) . . . . ?
Cu1 O1 C4 C5 -171.11(16) . . . . ?
B9 C3 B4 C2 138.4(3) . . . . ?
B5 C3 B4 C2 103.4(3) . . . . ?
B1 C3 B4 C2 31.7(3) . . . . ?
C2 C3 B4 B9 -138.4(3) . . . . ?
B5 C3 B4 B9 -35.0(3) . . . . ?
B1 C3 B4 B9 -106.7(3) . . . . ?
C2 C3 B4 B8 -97.2(3) . . . . ?
B9 C3 B4 B8 41.2(3) . . . . ?
B5 C3 B4 B8 6.3(4) . . . . ?
B1 C3 B4 B8 -65.5(4) . . . . ?
C2 C3 B4 B3 -35.8(2) . . . . ?
B9 C3 B4 B3 102.6(3) . . . . ?
B5 C3 B4 B3 67.6(3) . . . . ?
B1 C3 B4 B3 -4.1(3) . . . . ?
C1 C2 B4 C3 107.1(3) . . . . ?
B3 C2 B4 C3 -136.9(3) . . . . ?
B2 C2 B4 C3 -98.1(3) . . . . ?
B1 C2 B4 C3 -30.4(3) . . . . ?
C1 C2 B4 B9 142.5(3) . . . . ?
C3 C2 B4 B9 35.4(3) . . . . ?
B3 C2 B4 B9 -101.5(3) . . . . ?
B2 C2 B4 B9 -62.7(4) . . . . ?
B1 C2 B4 B9 5.0(4) . . . . ?
C1 C2 B4 B8 -153.5(3) . . . . ?
C3 C2 B4 B8 99.4(3) . . . . ?
B3 C2 B4 B8 -37.5(3) . . . . ?
B2 C2 B4 B8 1.3(4) . . . . ?
B1 C2 B4 B8 68.9(4) . . . . ?
C1 C2 B4 B3 -116.0(3) . . . . ?
C3 C2 B4 B3 136.9(3) . . . . ?
B2 C2 B4 B3 38.8(3) . . . . ?
B1 C2 B4 B3 106.5(3) . . . . ?
C2 B3 B4 C3 36.4(2) . . . . ?
B2 B3 B4 C3 1.7(3) . . . . ?
B7 B3 B4 C3 -61.3(3) . . . . ?
B8 B3 B4 C3 -100.2(3) . . . . ?
B2 B3 B4 C2 -34.7(2) . . . . ?
B7 B3 B4 C2 -97.7(3) . . . . ?
B8 B3 B4 C2 -136.6(3) . . . . ?
C2 B3 B4 B9 96.3(3) . . . . ?
B2 B3 B4 B9 61.5(4) . . . . ?
B7 B3 B4 B9 -1.5(4) . . . . ?
B8 B3 B4 B9 -40.3(3) . . . . ?
C2 B3 B4 B8 136.6(3) . . . . ?
B2 B3 B4 B8 101.9(3) . . . . ?
B7 B3 B4 B8 38.9(3) . . . . ?
O2 C4 C5 C6 14.8(3) . . . . ?
O1 C4 C5 C6 -166.5(2) . . . . ?
O2 C4 C5 B13 -126.1(3) . . . . ?
O1 C4 C5 B13 52.5(4) . . . . ?
O2 C4 C5 B14 -54.5(3) . . . . ?
O1 C4 C5 B14 124.1(3) . . . . ?
O2 C4 C5 B12 156.4(3) . . . . ?
O1 C4 C5 B12 -25.0(3) . . . . ?
O2 C4 C5 B11 84.0(3) . . . . ?
O1 C4 C5 B11 -97.4(3) . . . . ?
C2 C3 B5 B9 105.1(3) . . . . ?
B4 C3 B5 B9 36.1(3) . . . . ?
B1 C3 B5 B9 144.6(3) . . . . ?
C2 C3 B5 B6 0.8(4) . . . . ?
B9 C3 B5 B6 -104.3(4) . . . . ?
B4 C3 B5 B6 -68.2(4) . . . . ?
B1 C3 B5 B6 40.3(3) . . . . ?
C2 C3 B5 B10 64.1(4) . . . . ?
B9 C3 B5 B10 -41.0(3) . . . . ?
B4 C3 B5 B10 -4.9(4) . . . . ?
B1 C3 B5 B10 103.6(3) . . . . ?
C2 C3 B5 B1 -39.5(3) . . . . ?
B9 C3 B5 B1 -144.6(3) . . . . ?
B4 C3 B5 B1 -108.5(3) . . . . ?
B2 B1 B5 C3 94.9(3) . . . . ?
C2 B1 B5 C3 34.3(2) . . . . ?
B6 B1 B5 C3 133.2(3) . . . . ?
C3 B1 B5 B9 -31.3(3) . . . . ?
B2 B1 B5 B9 63.6(4) . . . . ?
C2 B1 B5 B9 3.1(4) . . . . ?
B6 B1 B5 B9 101.9(4) . . . . ?
C3 B1 B5 B6 -133.2(3) . . . . ?
B2 B1 B5 B6 -38.3(3) . . . . ?
C2 B1 B5 B6 -98.8(3) . . . . ?
C3 B1 B5 B10 -94.5(4) . . . . ?
B2 B1 B5 B10 0.4(4) . . . . ?
C2 B1 B5 B10 -60.2(4) . . . . ?
B6 B1 B5 B10 38.7(3) . . . . ?
C4 C5 C6 B19 -144.4(3) . . . . ?
B13 C5 C6 B19 1.1(4) . . . . ?
B14 C5 C6 B19 -38.2(3) . . . . ?
B12 C5 C6 B19 69.5(3) . . . . ?
B11 C5 C6 B19 108.5(3) . . . . ?
C4 C5 C6 B15 146.2(3) . . . . ?
B13 C5 C6 B15 -68.3(3) . . . . ?
B14 C5 C6 B15 -107.6(3) . . . . ?
B12 C5 C6 B15 0.1(3) . . . . ?
B11 C5 C6 B15 39.0(3) . . . . ?
C4 C5 C6 B11 107.2(3) . . . . ?
B13 C5 C6 B11 -107.3(3) . . . . ?
B14 C5 C6 B11 -146.6(2) . . . . ?
B12 C5 C6 B11 -38.9(2) . . . . ?
C4 C5 C6 B14 -106.2(3) . . . . ?
B13 C5 C6 B14 39.3(3) . . . . ?
B12 C5 C6 B14 107.7(3) . . . . ?
B11 C5 C6 B14 146.6(2) . . . . ?
C3 B5 B6 B1 -39.9(3) . . . . ?
B9 B5 B6 B1 -100.6(3) . . . . ?
B10 B5 B6 B1 -137.5(3) . . . . ?
C3 B5 B6 B7 61.4(4) . . . . ?
B9 B5 B6 B7 0.7(4) . . . . ?
B10 B5 B6 B7 -36.1(3) . . . . ?
B1 B5 B6 B7 101.3(3) . . . . ?
C3 B5 B6 B2 -2.2(4) . . . . ?
B9 B5 B6 B2 -62.8(4) . . . . ?
B10 B5 B6 B2 -99.7(4) . . . . ?
B1 B5 B6 B2 37.7(3) . . . . ?
C3 B5 B6 B10 97.5(4) . . . . ?
B9 B5 B6 B10 36.9(3) . . . . ?
B1 B5 B6 B10 137.5(3) . . . . ?
C3 B1 B6 B5 39.3(3) . . . . ?
B2 B1 B6 B5 137.3(3) . . . . ?
C2 B1 B6 B5 97.3(3) . . . . ?
C3 B1 B6 B7 -61.9(3) . . . . ?
B2 B1 B6 B7 36.1(3) . . . . ?
C2 B1 B6 B7 -3.9(4) . . . . ?
B5 B1 B6 B7 -101.2(4) . . . . ?
C3 B1 B6 B2 -97.9(3) . . . . ?
C2 B1 B6 B2 -40.0(2) . . . . ?
B5 B1 B6 B2 -137.3(3) . . . . ?
C3 B1 B6 B10 1.3(4) . . . . ?
B2 B1 B6 B10 99.2(3) . . . . ?
C2 B1 B6 B10 59.3(3) . . . . ?
B5 B1 B6 B10 -38.0(3) . . . . ?
C2 B2 B6 B5 2.8(4) . . . . ?
B1 B2 B6 B5 -38.9(3) . . . . ?
B3 B2 B6 B5 64.3(4) . . . . ?
B7 B2 B6 B5 100.9(4) . . . . ?
C2 B2 B6 B1 41.7(3) . . . . ?
B3 B2 B6 B1 103.2(3) . . . . ?
B7 B2 B6 B1 139.8(3) . . . . ?
C2 B2 B6 B7 -98.1(3) . . . . ?
B1 B2 B6 B7 -139.8(3) . . . . ?
B3 B2 B6 B7 -36.6(3) . . . . ?
C2 B2 B6 B10 -60.2(3) . . . . ?
B1 B2 B6 B10 -101.9(3) . . . . ?
B3 B2 B6 B10 1.3(4) . . . . ?
B7 B2 B6 B10 37.9(3) . . . . ?
C11 N1 C7 C8 -0.8(5) . . . . ?
Cu1 N1 C7 C8 176.8(3) . . . . ?
B5 B6 B7 B2 -100.8(3) . . . . ?
B1 B6 B7 B2 -35.6(3) . . . . ?
B10 B6 B7 B2 -137.0(3) . . . . ?
B5 B6 B7 B10 36.2(3) . . . . ?
B1 B6 B7 B10 101.4(3) . . . . ?
B2 B6 B7 B10 137.0(3) . . . . ?
B5 B6 B7 B3 -65.0(4) . . . . ?
B1 B6 B7 B3 0.2(4) . . . . ?
B2 B6 B7 B3 35.9(3) . . . . ?
B10 B6 B7 B3 -101.2(3) . . . . ?
B5 B6 B7 B8 -0.9(4) . . . . ?
B1 B6 B7 B8 64.4(4) . . . . ?
B2 B6 B7 B8 100.0(3) . . . . ?
B10 B6 B7 B8 -37.1(3) . . . . ?
C2 B2 B7 B6 100.2(3) . . . . ?
B1 B2 B7 B6 36.4(3) . . . . ?
B3 B2 B7 B6 139.7(3) . . . . ?
C2 B2 B7 B10 61.2(4) . . . . ?
B1 B2 B7 B10 -2.7(4) . . . . ?
B3 B2 B7 B10 100.7(3) . . . . ?
B6 B2 B7 B10 -39.0(3) . . . . ?
C2 B2 B7 B3 -39.5(2) . . . . ?
B1 B2 B7 B3 -103.3(3) . . . . ?
B6 B2 B7 B3 -139.7(3) . . . . ?
C2 B2 B7 B8 -2.0(4) . . . . ?
B1 B2 B7 B8 -65.8(4) . . . . ?
B3 B2 B7 B8 37.5(3) . . . . ?
B6 B2 B7 B8 -102.2(4) . . . . ?
C2 B3 B7 B6 3.7(4) . . . . ?
B2 B3 B7 B6 -36.2(3) . . . . ?
B8 B3 B7 B6 102.0(4) . . . . ?
B4 B3 B7 B6 63.8(3) . . . . ?
C2 B3 B7 B2 39.9(2) . . . . ?
B8 B3 B7 B2 138.2(3) . . . . ?
B4 B3 B7 B2 100.0(3) . . . . ?
C2 B3 B7 B10 -61.2(4) . . . . ?
B2 B3 B7 B10 -101.0(3) . . . . ?
B8 B3 B7 B10 37.2(3) . . . . ?
B4 B3 B7 B10 -1.1(4) . . . . ?
C2 B3 B7 B8 -98.4(3) . . . . ?
B2 B3 B7 B8 -138.2(3) . . . . ?
B4 B3 B7 B8 -38.2(3) . . . . ?
N1 C7 C8 C9 0.9(6) . . . . ?
C3 B4 B8 B10 -4.8(4) . . . . ?
C2 B4 B8 B10 -64.8(4) . . . . ?
B9 B4 B8 B10 34.5(3) . . . . ?
B3 B4 B8 B10 -101.0(3) . . . . ?
C3 B4 B8 B7 57.6(4) . . . . ?
C2 B4 B8 B7 -2.4(5) . . . . ?
B9 B4 B8 B7 96.8(4) . . . . ?
B3 B4 B8 B7 -38.7(3) . . . . ?
C3 B4 B8 B3 96.2(3) . . . . ?
C2 B4 B8 B3 36.2(3) . . . . ?
B9 B4 B8 B3 135.5(3) . . . . ?
C3 B4 B8 B9 -39.2(3) . . . . ?
C2 B4 B8 B9 -99.2(4) . . . . ?
B3 B4 B8 B9 -135.5(3) . . . . ?
B6 B7 B8 B10 37.7(3) . . . . ?
B2 B7 B8 B10 101.4(3) . . . . ?
B3 B7 B8 B10 138.4(3) . . . . ?
B6 B7 B8 B4 -60.9(4) . . . . ?
B2 B7 B8 B4 2.8(5) . . . . ?
B10 B7 B8 B4 -98.6(4) . . . . ?
B3 B7 B8 B4 39.8(3) . . . . ?
B6 B7 B8 B3 -100.7(3) . . . . ?
B2 B7 B8 B3 -37.0(3) . . . . ?
B10 B7 B8 B3 -138.4(3) . . . . ?
B6 B7 B8 B9 0.6(4) . . . . ?
B2 B7 B8 B9 64.3(4) . . . . ?
B10 B7 B8 B9 -37.1(3) . . . . ?
B3 B7 B8 B9 101.3(3) . . . . ?
C2 B3 B8 B10 62.5(4) . . . . ?
B2 B3 B8 B10 0.8(4) . . . . ?
B7 B3 B8 B10 -36.7(3) . . . . ?
B4 B3 B8 B10 99.4(4) . . . . ?
C2 B3 B8 B4 -36.9(3) . . . . ?
B2 B3 B8 B4 -98.6(3) . . . . ?
B7 B3 B8 B4 -136.1(4) . . . . ?
C2 B3 B8 B7 99.3(3) . . . . ?
B2 B3 B8 B7 37.5(3) . . . . ?
B4 B3 B8 B7 136.1(4) . . . . ?
C2 B3 B8 B9 2.0(4) . . . . ?
B2 B3 B8 B9 -59.7(4) . . . . ?
B7 B3 B8 B9 -97.3(4) . . . . ?
B4 B3 B8 B9 38.9(3) . . . . ?
C7 C8 C9 C10 -1.0(6) . . . . ?
C7 C8 C9 C12 -179.7(4) . . . . ?
C2 C3 B9 B5 -104.3(3) . . . . ?
B4 C3 B9 B5 -144.1(3) . . . . ?
B1 C3 B9 B5 -35.0(3) . . . . ?
C2 C3 B9 B10 -61.7(4) . . . . ?
B4 C3 B9 B10 -101.5(4) . . . . ?
B5 C3 B9 B10 42.6(3) . . . . ?
B1 C3 B9 B10 7.6(5) . . . . ?
C2 C3 B9 B4 39.7(3) . . . . ?
B5 C3 B9 B4 144.1(3) . . . . ?
B1 C3 B9 B4 109.1(3) . . . . ?
C2 C3 B9 B8 0.0(4) . . . . ?
B4 C3 B9 B8 -39.7(3) . . . . ?
B5 C3 B9 B8 104.4(3) . . . . ?
B1 C3 B9 B8 69.4(4) . . . . ?
B6 B5 B9 C3 94.6(3) . . . . ?
B10 B5 B9 C3 132.3(3) . . . . ?
B1 B5 B9 C3 31.5(3) . . . . ?
C3 B5 B9 B10 -132.3(3) . . . . ?
B6 B5 B9 B10 -37.6(3) . . . . ?
B1 B5 B9 B10 -100.8(3) . . . . ?
C3 B5 B9 B4 -31.7(3) . . . . ?
B6 B5 B9 B4 62.9(4) . . . . ?
B10 B5 B9 B4 100.5(4) . . . . ?
B1 B5 B9 B4 -0.2(4) . . . . ?
C3 B5 B9 B8 -95.0(3) . . . . ?
B6 B5 B9 B8 -0.4(4) . . . . ?
B10 B5 B9 B8 37.3(3) . . . . ?
B1 B5 B9 B8 -63.5(4) . . . . ?
C2 B4 B9 C3 -35.5(2) . . . . ?
B8 B4 B9 C3 -133.8(3) . . . . ?
B3 B4 B9 C3 -94.5(3) . . . . ?
C3 B4 B9 B5 32.7(3) . . . . ?
C2 B4 B9 B5 -2.8(4) . . . . ?
B8 B4 B9 B5 -101.0(4) . . . . ?
B3 B4 B9 B5 -61.8(4) . . . . ?
C3 B4 B9 B10 98.0(4) . . . . ?
C2 B4 B9 B10 62.5(4) . . . . ?
B8 B4 B9 B10 -35.7(4) . . . . ?
B3 B4 B9 B10 3.5(5) . . . . ?
C3 B4 B9 B8 133.8(3) . . . . ?
C2 B4 B9 B8 98.3(3) . . . . ?
B3 B4 B9 B8 39.2(3) . . . . ?
B10 B8 B9 C3 -101.0(4) . . . . ?
B4 B8 B9 C3 38.9(3) . . . . ?
B7 B8 B9 C3 -63.1(4) . . . . ?
B3 B8 B9 C3 -1.3(4) . . . . ?
B10 B8 B9 B5 -38.1(3) . . . . ?
B4 B8 B9 B5 101.8(3) . . . . ?
B7 B8 B9 B5 -0.2(4) . . . . ?
B3 B8 B9 B5 61.6(4) . . . . ?
B4 B8 B9 B10 139.9(3) . . . . ?
B7 B8 B9 B10 37.9(3) . . . . ?
B3 B8 B9 B10 99.7(4) . . . . ?
B10 B8 B9 B4 -139.9(3) . . . . ?
B7 B8 B9 B4 -102.0(3) . . . . ?
B3 B8 B9 B4 -40.2(3) . . . . ?
C8 C9 C10 C11 1.2(6) . . . . ?
C12 C9 C10 C11 179.9(4) . . . . ?
C3 B9 B10 B5 -42.0(3) . . . . ?
B4 B9 B10 B5 -102.7(3) . . . . ?
B8 B9 B10 B5 -138.4(3) . . . . ?
C3 B9 B10 B7 56.4(5) . . . . ?
B5 B9 B10 B7 98.5(4) . . . . ?
B4 B9 B10 B7 -4.3(5) . . . . ?
B8 B9 B10 B7 -39.9(3) . . . . ?
C3 B9 B10 B8 96.3(3) . . . . ?
B5 B9 B10 B8 138.4(3) . . . . ?
B4 B9 B10 B8 35.6(3) . . . . ?
C3 B9 B10 B6 -6.1(5) . . . . ?
B5 B9 B10 B6 35.9(3) . . . . ?
B4 B9 B10 B6 -66.8(5) . . . . ?
B8 B9 B10 B6 -102.4(3) . . . . ?
C3 B5 B10 B9 40.2(3) . . . . ?
B6 B5 B10 B9 139.0(3) . . . . ?
B1 B5 B10 B9 101.2(3) . . . . ?
C3 B5 B10 B7 -63.0(4) . . . . ?
B9 B5 B10 B7 -103.2(3) . . . . ?
B6 B5 B10 B7 35.7(3) . . . . ?
B1 B5 B10 B7 -2.0(4) . . . . ?
C3 B5 B10 B8 1.4(4) . . . . ?
B9 B5 B10 B8 -38.8(3) . . . . ?
B6 B5 B10 B8 100.1(3) . . . . ?
B1 B5 B10 B8 62.4(4) . . . . ?
C3 B5 B10 B6 -98.8(3) . . . . ?
B9 B5 B10 B6 -139.0(3) . . . . ?
B1 B5 B10 B6 -37.8(3) . . . . ?
B6 B7 B10 B9 -98.0(4) . . . . ?
B2 B7 B10 B9 -59.5(5) . . . . ?
B3 B7 B10 B9 3.3(5) . . . . ?
B8 B7 B10 B9 40.8(4) . . . . ?
B6 B7 B10 B5 -35.6(3) . . . . ?
B2 B7 B10 B5 2.9(4) . . . . ?
B3 B7 B10 B5 65.7(4) . . . . ?
B8 B7 B10 B5 103.1(3) . . . . ?
B6 B7 B10 B8 -138.7(3) . . . . ?
B2 B7 B10 B8 -100.3(3) . . . . ?
B3 B7 B10 B8 -37.5(3) . . . . ?
B2 B7 B10 B6 38.5(3) . . . . ?
B3 B7 B10 B6 101.3(3) . . . . ?
B8 B7 B10 B6 138.7(3) . . . . ?
B4 B8 B10 B9 -35.0(3) . . . . ?
B7 B8 B10 B9 -136.3(3) . . . . ?
B3 B8 B10 B9 -99.6(3) . . . . ?
B4 B8 B10 B5 2.1(4) . . . . ?
B7 B8 B10 B5 -99.2(3) . . . . ?
B3 B8 B10 B5 -62.5(4) . . . . ?
B9 B8 B10 B5 37.1(3) . . . . ?
B4 B8 B10 B7 101.3(3) . . . . ?
B3 B8 B10 B7 36.7(3) . . . . ?
B9 B8 B10 B7 136.3(3) . . . . ?
B4 B8 B10 B6 64.7(4) . . . . ?
B7 B8 B10 B6 -36.6(3) . . . . ?
B3 B8 B10 B6 0.0(4) . . . . ?
B9 B8 B10 B6 99.7(3) . . . . ?
B5 B6 B10 B9 -35.9(3) . . . . ?
B1 B6 B10 B9 3.0(4) . . . . ?
B7 B6 B10 B9 103.5(4) . . . . ?
B2 B6 B10 B9 65.3(4) . . . . ?
B1 B6 B10 B5 38.9(3) . . . . ?
B7 B6 B10 B5 139.4(3) . . . . ?
B2 B6 B10 B5 101.3(3) . . . . ?
B5 B6 B10 B7 -139.4(3) . . . . ?
B1 B6 B10 B7 -100.6(3) . . . . ?
B2 B6 B10 B7 -38.2(3) . . . . ?
B5 B6 B10 B8 -102.1(3) . . . . ?
B1 B6 B10 B8 -63.2(4) . . . . ?
B7 B6 B10 B8 37.3(3) . . . . ?
B2 B6 B10 B8 -0.8(4) . . . . ?
B19 C6 B11 C5 -102.2(3) . . . . ?
B15 C6 B11 C5 -139.1(2) . . . . ?
B14 C6 B11 C5 -32.0(2) . . . . ?
C5 C6 B11 B16 98.2(3) . . . . ?
B19 C6 B11 B16 -4.0(4) . . . . ?
B15 C6 B11 B16 -40.9(3) . . . . ?
B14 C6 B11 B16 66.2(3) . . . . ?
C5 C6 B11 B15 139.1(2) . . . . ?
B19 C6 B11 B15 36.9(3) . . . . ?
B14 C6 B11 B15 107.1(3) . . . . ?
C5 C6 B11 B12 36.1(2) . . . . ?
B19 C6 B11 B12 -66.1(3) . . . . ?
B15 C6 B11 B12 -103.0(3) . . . . ?
B14 C6 B11 B12 4.1(3) . . . . ?
C4 C5 B11 C6 -106.5(2) . . . . ?
B13 C5 B11 C6 101.1(3) . . . . ?
B14 C5 B11 C6 32.2(2) . . . . ?
B12 C5 B11 C6 138.3(2) . . . . ?
C4 C5 B11 B16 155.4(3) . . . . ?
C6 C5 B11 B16 -98.1(3) . . . . ?
B13 C5 B11 B16 3.1(4) . . . . ?
B14 C5 B11 B16 -65.8(3) . . . . ?
B12 C5 B11 B16 40.3(3) . . . . ?
C4 C5 B11 B15 -141.4(2) . . . . ?
C6 C5 B11 B15 -34.9(2) . . . . ?
B13 C5 B11 B15 66.2(3) . . . . ?
B14 C5 B11 B15 -2.7(3) . . . . ?
B12 C5 B11 B15 103.4(3) . . . . ?
C4 C5 B11 B12 115.2(3) . . . . ?
C6 C5 B11 B12 -138.3(2) . . . . ?
B13 C5 B11 B12 -37.2(3) . . . . ?
B14 C5 B11 B12 -106.1(3) . . . . ?
C7 N1 C11 C10 1.0(5) . . . . ?
Cu1 N1 C11 C10 -176.7(3) . . . . ?
C9 C10 C11 N1 -1.3(7) . . . . ?
C4 C5 B12 B16 -144.9(3) . . . . ?
C6 C5 B12 B16 -1.6(3) . . . . ?
B13 C5 B12 B16 101.9(3) . . . . ?
B14 C5 B12 B16 65.8(3) . . . . ?
B11 C5 B12 B16 -40.2(2) . . . . ?
C4 C5 B12 B11 -104.7(3) . . . . ?
C6 C5 B12 B11 38.6(2) . . . . ?
B13 C5 B12 B11 142.0(3) . . . . ?
B14 C5 B12 B11 106.0(3) . . . . ?
C4 C5 B12 B17 153.1(2) . . . . ?
C6 C5 B12 B17 -63.6(3) . . . . ?
B13 C5 B12 B17 39.9(2) . . . . ?
B14 C5 B12 B17 3.8(3) . . . . ?
B11 C5 B12 B17 -102.2(3) . . . . ?
C4 C5 B12 B13 113.3(3) . . . . ?
C6 C5 B12 B13 -103.5(3) . . . . ?
B14 C5 B12 B13 -36.0(3) . . . . ?
B11 C5 B12 B13 -142.0(3) . . . . ?
C6 B11 B12 C5 -35.18(19) . . . . ?
B16 B11 B12 C5 -133.7(3) . . . . ?
B15 B11 B12 C5 -95.7(3) . . . . ?
C6 B11 B12 B16 98.5(3) . . . . ?
C5 B11 B12 B16 133.7(3) . . . . ?
B15 B11 B12 B16 38.0(3) . . . . ?
C6 B11 B12 B17 60.1(3) . . . . ?
C5 B11 B12 B17 95.3(3) . . . . ?
B16 B11 B12 B17 -38.4(3) . . . . ?
B15 B11 B12 B17 -0.5(4) . . . . ?
C6 B11 B12 B13 -2.1(3) . . . . ?
C5 B11 B12 B13 33.0(2) . . . . ?
B16 B11 B12 B13 -100.6(3) . . . . ?
B15 B11 B12 B13 -62.7(3) . . . . ?
C4 C5 B13 B18 144.1(3) . . . . ?
C6 C5 B13 B18 1.4(4) . . . . ?
B14 C5 B13 B18 40.6(3) . . . . ?
B12 C5 B13 B18 -102.2(3) . . . . ?
B11 C5 B13 B18 -65.5(4) . . . . ?
C4 C5 B13 B14 103.5(3) . . . . ?
C6 C5 B13 B14 -39.2(2) . . . . ?
B12 C5 B13 B14 -142.7(3) . . . . ?
B11 C5 B13 B14 -106.1(3) . . . . ?
C4 C5 B13 B17 -154.2(3) . . . . ?
C6 C5 B13 B17 63.1(3) . . . . ?
B14 C5 B13 B17 102.3(3) . . . . ?
B12 C5 B13 B17 -40.4(3) . . . . ?
B11 C5 B13 B17 -3.8(4) . . . . ?
C4 C5 B13 B12 -113.7(3) . . . . ?
C6 C5 B13 B12 103.5(3) . . . . ?
B14 C5 B13 B12 142.7(3) . . . . ?
B11 C5 B13 B12 36.7(3) . . . . ?
B16 B12 B13 C5 -96.4(3) . . . . ?
B11 B12 B13 C5 -33.5(2) . . . . ?
B17 B12 B13 C5 -133.4(3) . . . . ?
C5 B12 B13 B18 96.9(3) . . . . ?
B16 B12 B13 B18 0.4(3) . . . . ?
B11 B12 B13 B18 63.4(3) . . . . ?
B17 B12 B13 B18 -36.5(3) . . . . ?
C5 B12 B13 B14 33.2(2) . . . . ?
B16 B12 B13 B14 -63.2(3) . . . . ?
B11 B12 B13 B14 -0.3(3) . . . . ?
B17 B12 B13 B14 -100.2(3) . . . . ?
C5 B12 B13 B17 133.4(3) . . . . ?
B16 B12 B13 B17 36.9(2) . . . . ?
B11 B12 B13 B17 99.9(3) . . . . ?
C17 N2 C13 C14 -2.2(6) . . . . ?
Cu1 N2 C13 C14 -175.0(4) . . . . ?
C4 C5 B14 C6 107.1(2) . . . . ?
B13 C5 B14 C6 -137.8(3) . . . . ?
B12 C5 B14 C6 -101.2(2) . . . . ?
B11 C5 B14 C6 -32.1(2) . . . . ?
C4 C5 B14 B13 -115.1(2) . . . . ?
C6 C5 B14 B13 137.8(3) . . . . ?
B12 C5 B14 B13 36.6(3) . . . . ?
B11 C5 B14 B13 105.7(3) . . . . ?
C4 C5 B14 B18 -155.5(2) . . . . ?
C6 C5 B14 B18 97.5(3) . . . . ?
B13 C5 B14 B18 -40.4(3) . . . . ?
B12 C5 B14 B18 -3.7(3) . . . . ?
B11 C5 B14 B18 65.4(3) . . . . ?
C4 C5 B14 B19 141.5(2) . . . . ?
C6 C5 B14 B19 34.4(2) . . . . ?
B13 C5 B14 B19 -103.4(3) . . . . ?
B12 C5 B14 B19 -66.8(3) . . . . ?
B11 C5 B14 B19 2.3(3) . . . . ?
B19 C6 B14 C5 139.8(3) . . . . ?
B15 C6 B14 C5 102.5(3) . . . . ?
B11 C6 B14 C5 32.2(2) . . . . ?
C5 C6 B14 B13 -36.5(2) . . . . ?
B19 C6 B14 B13 103.3(3) . . . . ?
B15 C6 B14 B13 65.9(3) . . . . ?
B11 C6 B14 B13 -4.3(3) . . . . ?
C5 C6 B14 B18 -98.5(3) . . . . ?
B19 C6 B14 B18 41.3(3) . . . . ?
B15 C6 B14 B18 3.9(4) . . . . ?
B11 C6 B14 B18 -66.3(3) . . . . ?
C5 C6 B14 B19 -139.8(3) . . . . ?
B15 C6 B14 B19 -37.3(3) . . . . ?
B11 C6 B14 B19 -107.6(3) . . . . ?
B18 B13 B14 C5 -133.6(3) . . . . ?
B17 B13 B14 C5 -96.3(3) . . . . ?
B12 B13 B14 C5 -33.1(2) . . . . ?
C5 B13 B14 C6 35.7(2) . . . . ?
B18 B13 B14 C6 -97.9(3) . . . . ?
B17 B13 B14 C6 -60.6(3) . . . . ?
B12 B13 B14 C6 2.6(3) . . . . ?
C5 B13 B14 B18 133.6(3) . . . . ?
B17 B13 B14 B18 37.2(3) . . . . ?
B12 B13 B14 B18 100.5(3) . . . . ?
C5 B13 B14 B19 96.3(3) . . . . ?
B18 B13 B14 B19 -37.3(3) . . . . ?
B17 B13 B14 B19 -0.1(4) . . . . ?
B12 B13 B14 B19 63.2(3) . . . . ?
N2 C13 C14 C15 2.4(8) . . . . ?
C13 C14 C15 C16 0.4(7) . . . . ?
C13 C14 C15 C18 176.3(5) . . . . ?
C5 C6 B15 B20 63.1(4) . . . . ?
B19 C6 B15 B20 -41.3(3) . . . . ?
B11 C6 B15 B20 101.7(3) . . . . ?
B14 C6 B15 B20 -4.3(4) . . . . ?
C5 C6 B15 B11 -38.6(2) . . . . ?
B19 C6 B15 B11 -143.0(3) . . . . ?
B14 C6 B15 B11 -106.0(3) . . . . ?
C5 C6 B15 B19 104.4(3) . . . . ?
B11 C6 B15 B19 143.0(3) . . . . ?
B14 C6 B15 B19 37.0(3) . . . . ?
C5 C6 B15 B16 1.4(4) . . . . ?
B19 C6 B15 B16 -103.0(3) . . . . ?
B11 C6 B15 B16 40.0(3) . . . . ?
B14 C6 B15 B16 -66.0(4) . . . . ?
C5 B11 B15 C6 34.5(2) . . . . ?
B16 B11 B15 C6 133.5(3) . . . . ?
B12 B11 B15 C6 96.0(3) . . . . ?
C6 B11 B15 B20 -97.0(3) . . . . ?
C5 B11 B15 B20 -62.6(3) . . . . ?
B16 B11 B15 B20 36.5(3) . . . . ?
B12 B11 B15 B20 -1.0(4) . . . . ?
C6 B11 B15 B19 -32.6(3) . . . . ?
C5 B11 B15 B19 1.9(3) . . . . ?
B16 B11 B15 B19 100.9(3) . . . . ?
B12 B11 B15 B19 63.5(3) . . . . ?
C6 B11 B15 B16 -133.5(3) . . . . ?
C5 B11 B15 B16 -99.0(3) . . . . ?
B12 B11 B15 B16 -37.5(3) . . . . ?
C6 B11 B16 B12 -98.8(3) . . . . ?
C5 B11 B16 B12 -39.8(2) . . . . ?
B15 B11 B16 B12 -138.2(3) . . . . ?
C6 B11 B16 B20 2.9(3) . . . . ?
C5 B11 B16 B20 61.8(3) . . . . ?
B15 B11 B16 B20 -36.5(3) . . . . ?
B12 B11 B16 B20 101.7(3) . . . . ?
C6 B11 B16 B17 -60.0(4) . . . . ?
C5 B11 B16 B17 -1.0(4) . . . . ?
B15 B11 B16 B17 -99.3(3) . . . . ?
B12 B11 B16 B17 38.8(3) . . . . ?
C6 B11 B16 B15 39.4(3) . . . . ?
C5 B11 B16 B15 98.4(3) . . . . ?
B12 B11 B16 B15 138.2(3) . . . . ?
C5 B12 B16 B11 39.8(2) . . . . ?
B17 B12 B16 B11 136.7(3) . . . . ?
B13 B12 B16 B11 100.2(3) . . . . ?
C5 B12 B16 B20 -60.5(3) . . . . ?
B11 B12 B16 B20 -100.3(3) . . . . ?
B17 B12 B16 B20 36.4(3) . . . . ?
B13 B12 B16 B20 -0.2(3) . . . . ?
C5 B12 B16 B17 -96.9(3) . . . . ?
B11 B12 B16 B17 -136.7(3) . . . . ?
B13 B12 B16 B17 -36.6(2) . . . . ?
C5 B12 B16 B15 2.4(4) . . . . ?
B11 B12 B16 B15 -37.4(3) . . . . ?
B17 B12 B16 B15 99.3(3) . . . . ?
B13 B12 B16 B15 62.8(3) . . . . ?
C6 B15 B16 B11 -40.0(2) . . . . ?
B20 B15 B16 B11 -138.8(3) . . . . ?
B19 B15 B16 B11 -100.7(3) . . . . ?
C6 B15 B16 B12 -2.4(4) . . . . ?
B20 B15 B16 B12 -101.2(3) . . . . ?
B11 B15 B16 B12 37.7(3) . . . . ?
B19 B15 B16 B12 -63.0(3) . . . . ?
C6 B15 B16 B20 98.8(3) . . . . ?
B11 B15 B16 B20 138.8(3) . . . . ?
B19 B15 B16 B20 38.1(3) . . . . ?
C6 B15 B16 B17 61.4(3) . . . . ?
B20 B15 B16 B17 -37.4(2) . . . . ?
B11 B15 B16 B17 101.4(3) . . . . ?
B19 B15 B16 B17 0.7(3) . . . . ?
C14 C15 C16 C17 -3.2(8) . . . . ?
C18 C15 C16 C17 -179.1(5) . . . . ?
C5 B13 B17 B18 -99.1(3) . . . . ?
B14 B13 B17 B18 -37.5(3) . . . . ?
B12 B13 B17 B18 -139.0(3) . . . . ?
C5 B13 B17 B20 -60.9(4) . . . . ?
B18 B13 B17 B20 38.2(3) . . . . ?
B14 B13 B17 B20 0.7(4) . . . . ?
B12 B13 B17 B20 -100.8(3) . . . . ?
C5 B13 B17 B16 2.9(4) . . . . ?
B18 B13 B17 B16 102.0(3) . . . . ?
B14 B13 B17 B16 64.5(4) . . . . ?
B12 B13 B17 B16 -36.9(3) . . . . ?
C5 B13 B17 B12 39.9(2) . . . . ?
B18 B13 B17 B12 139.0(3) . . . . ?
B14 B13 B17 B12 101.5(3) . . . . ?
B11 B16 B17 B18 62.3(4) . . . . ?
B12 B16 B17 B18 101.2(3) . . . . ?
B20 B16 B17 B18 -38.1(3) . . . . ?
B15 B16 B17 B18 -0.7(3) . . . . ?
B11 B16 B17 B20 100.4(3) . . . . ?
B12 B16 B17 B20 139.3(3) . . . . ?
B15 B16 B17 B20 37.4(2) . . . . ?
B11 B16 B17 B13 -1.2(4) . . . . ?
B12 B16 B17 B13 37.6(3) . . . . ?
B20 B16 B17 B13 -101.7(3) . . . . ?
B15 B16 B17 B13 -64.3(3) . . . . ?
B11 B16 B17 B12 -38.8(3) . . . . ?
B20 B16 B17 B12 -139.3(3) . . . . ?
B15 B16 B17 B12 -101.9(3) . . . . ?
C5 B12 B17 B18 -2.3(3) . . . . ?
B16 B12 B17 B18 -101.8(3) . . . . ?
B11 B12 B17 B18 -63.5(3) . . . . ?
B13 B12 B17 B18 36.8(3) . . . . ?
C5 B12 B17 B20 62.9(3) . . . . ?
B16 B12 B17 B20 -36.5(3) . . . . ?
B11 B12 B17 B20 1.7(4) . . . . ?
B13 B12 B17 B20 102.1(3) . . . . ?
C5 B12 B17 B13 -39.2(2) . . . . ?
B16 B12 B17 B13 -138.6(3) . . . . ?
B11 B12 B17 B13 -100.3(3) . . . . ?
C5 B12 B17 B16 99.4(3) . . . . ?
B11 B12 B17 B16 38.3(3) . . . . ?
B13 B12 B17 B16 138.6(3) . . . . ?
C13 N2 C17 C16 -0.8(7) . . . . ?
Cu1 N2 C17 C16 172.0(4) . . . . ?
C15 C16 C17 N2 3.6(9) . . . . ?
B20 B17 B18 B13 -138.2(3) . . . . ?
B16 B17 B18 B13 -100.8(3) . . . . ?
B12 B17 B18 B13 -37.4(3) . . . . ?
B20 B17 B18 B14 -100.6(3) . . . . ?
B13 B17 B18 B14 37.6(3) . . . . ?
B16 B17 B18 B14 -63.1(4) . . . . ?
B12 B17 B18 B14 0.2(4) . . . . ?
B20 B17 B18 B19 -37.0(2) . . . . ?
B13 B17 B18 B19 101.2(3) . . . . ?
B16 B17 B18 B19 0.4(3) . . . . ?
B12 B17 B18 B19 63.8(3) . . . . ?
B13 B17 B18 B20 138.2(3) . . . . ?
B16 B17 B18 B20 37.5(2) . . . . ?
B12 B17 B18 B20 100.8(3) . . . . ?
C5 B13 B18 B17 98.0(3) . . . . ?
B14 B13 B18 B17 138.0(3) . . . . ?
B12 B13 B18 B17 36.6(3) . . . . ?
C5 B13 B18 B14 -40.0(3) . . . . ?
B17 B13 B18 B14 -138.0(3) . . . . ?
B12 B13 B18 B14 -101.4(3) . . . . ?
C5 B13 B18 B19 -3.2(4) . . . . ?
B14 B13 B18 B19 36.8(3) . . . . ?
B17 B13 B18 B19 -101.2(4) . . . . ?
B12 B13 B18 B19 -64.6(4) . . . . ?
C5 B13 B18 B20 60.9(3) . . . . ?
B14 B13 B18 B20 100.9(3) . . . . ?
B17 B13 B18 B20 -37.1(3) . . . . ?
B12 B13 B18 B20 -0.5(3) . . . . ?
C5 B14 B18 B17 2.0(4) . . . . ?
C6 B14 B18 B17 61.1(3) . . . . ?
B13 B14 B18 B17 -37.9(3) . . . . ?
B19 B14 B18 B17 101.0(3) . . . . ?
C5 B14 B18 B13 39.9(2) . . . . ?
C6 B14 B18 B13 99.1(3) . . . . ?
B19 B14 B18 B13 138.9(3) . . . . ?
C5 B14 B18 B19 -99.0(3) . . . . ?
C6 B14 B18 B19 -39.8(3) . . . . ?
B13 B14 B18 B19 -138.9(3) . . . . ?
C5 B14 B18 B20 -61.0(3) . . . . ?
C6 B14 B18 B20 -1.8(4) . . . . ?
B13 B14 B18 B20 -100.9(3) . . . . ?
B19 B14 B18 B20 38.0(3) . . . . ?
C5 C6 B19 B14 37.5(3) . . . . ?
B15 C6 B19 B14 142.3(3) . . . . ?
B11 C6 B19 B14 105.7(3) . . . . ?
C5 C6 B19 B15 -104.8(3) . . . . ?
B11 C6 B19 B15 -36.6(3) . . . . ?
B14 C6 B19 B15 -142.3(3) . . . . ?
C5 C6 B19 B18 -3.0(4) . . . . ?
B15 C6 B19 B18 101.8(3) . . . . ?
B11 C6 B19 B18 65.2(4) . . . . ?
B14 C6 B19 B18 -40.5(3) . . . . ?
C5 C6 B19 B20 -64.9(3) . . . . ?
B15 C6 B19 B20 39.9(3) . . . . ?
B11 C6 B19 B20 3.4(4) . . . . ?
B14 C6 B19 B20 -102.4(3) . . . . ?
C5 B14 B19 C6 -34.1(2) . . . . ?
B13 B14 B19 C6 -95.9(3) . . . . ?
B18 B14 B19 C6 -132.8(3) . . . . ?
C5 B14 B19 B15 -1.0(3) . . . . ?
C6 B14 B19 B15 33.1(2) . . . . ?
B13 B14 B19 B15 -62.8(3) . . . . ?
B18 B14 B19 B15 -99.7(3) . . . . ?
C5 B14 B19 B18 98.7(3) . . . . ?
C6 B14 B19 B18 132.8(3) . . . . ?
B13 B14 B19 B18 36.9(3) . . . . ?
C5 B14 B19 B20 61.2(3) . . . . ?
C6 B14 B19 B20 95.3(3) . . . . ?
B13 B14 B19 B20 -0.6(4) . . . . ?
B18 B14 B19 B20 -37.5(3) . . . . ?
B20 B15 B19 C6 133.1(3) . . . . ?
B11 B15 B19 C6 33.0(2) . . . . ?
B16 B15 B19 C6 95.7(3) . . . . ?
C6 B15 B19 B14 -33.6(2) . . . . ?
B20 B15 B19 B14 99.5(3) . . . . ?
B11 B15 B19 B14 -0.6(4) . . . . ?
B16 B15 B19 B14 62.1(3) . . . . ?
C6 B15 B19 B18 -96.1(3) . . . . ?
B20 B15 B19 B18 37.0(2) . . . . ?
B11 B15 B19 B18 -63.1(3) . . . . ?
B16 B15 B19 B18 -0.4(3) . . . . ?
C6 B15 B19 B20 -133.1(3) . . . . ?
B11 B15 B19 B20 -100.1(3) . . . . ?
B16 B15 B19 B20 -37.4(2) . . . . ?
B17 B18 B19 C6 -60.5(4) . . . . ?
B13 B18 B19 C6 3.8(4) . . . . ?
B14 B18 B19 C6 40.6(3) . . . . ?
B20 B18 B19 C6 -97.1(3) . . . . ?
B17 B18 B19 B14 -101.2(3) . . . . ?
B13 B18 B19 B14 -36.8(3) . . . . ?
B20 B18 B19 B14 -137.7(3) . . . . ?
B17 B18 B19 B15 0.0(3) . . . . ?
B13 B18 B19 B15 64.3(4) . . . . ?
B14 B18 B19 B15 101.1(3) . . . . ?
B20 B18 B19 B15 -36.6(3) . . . . ?
B17 B18 B19 B20 36.6(3) . . . . ?
B13 B18 B19 B20 100.9(3) . . . . ?
B14 B18 B19 B20 137.7(3) . . . . ?
B18 B17 B20 B15 99.8(3) . . . . ?
B13 B17 B20 B15 62.4(4) . . . . ?
B16 B17 B20 B15 -38.7(3) . . . . ?
B12 B17 B20 B15 -2.4(4) . . . . ?
B18 B17 B20 B16 138.5(3) . . . . ?
B13 B17 B20 B16 101.0(3) . . . . ?
B12 B17 B20 B16 36.3(3) . . . . ?
B13 B17 B20 B18 -37.5(3) . . . . ?
B16 B17 B20 B18 -138.5(3) . . . . ?
B12 B17 B20 B18 -102.2(3) . . . . ?
B18 B17 B20 B19 36.4(3) . . . . ?
B13 B17 B20 B19 -1.1(4) . . . . ?
B16 B17 B20 B19 -102.1(3) . . . . ?
B12 B17 B20 B19 -65.8(4) . . . . ?
C6 B15 B20 B17 -59.7(4) . . . . ?
B11 B15 B20 B17 2.1(4) . . . . ?
B19 B15 B20 B17 -99.6(3) . . . . ?
B16 B15 B20 B17 38.4(3) . . . . ?
C6 B15 B20 B16 -98.1(3) . . . . ?
B11 B15 B20 B16 -36.3(3) . . . . ?
B19 B15 B20 B16 -138.0(3) . . . . ?
C6 B15 B20 B18 2.8(4) . . . . ?
B11 B15 B20 B18 64.7(4) . . . . ?
B19 B15 B20 B18 -37.0(3) . . . . ?
B16 B15 B20 B18 101.0(3) . . . . ?
C6 B15 B20 B19 39.8(3) . . . . ?
B11 B15 B20 B19 101.6(3) . . . . ?
B16 B15 B20 B19 138.0(3) . . . . ?
B11 B16 B20 B17 -100.8(3) . . . . ?
B12 B16 B20 B17 -36.8(3) . . . . ?
B15 B16 B20 B17 -137.5(3) . . . . ?
B11 B16 B20 B15 36.7(3) . . . . ?
B12 B16 B20 B15 100.7(3) . . . . ?
B17 B16 B20 B15 137.5(3) . . . . ?
B11 B16 B20 B18 -64.1(3) . . . . ?
B12 B16 B20 B18 -0.1(4) . . . . ?
B17 B16 B20 B18 36.7(2) . . . . ?
B15 B16 B20 B18 -100.8(3) . . . . ?
B11 B16 B20 B19 -1.0(4) . . . . ?
B12 B16 B20 B19 63.0(4) . . . . ?
B17 B16 B20 B19 99.8(3) . . . . ?
B15 B16 B20 B19 -37.7(3) . . . . ?
B13 B18 B20 B17 37.7(2) . . . . ?
B14 B18 B20 B17 101.1(3) . . . . ?
B19 B18 B20 B17 138.9(3) . . . . ?
B17 B18 B20 B15 -101.8(3) . . . . ?
B13 B18 B20 B15 -64.1(4) . . . . ?
B14 B18 B20 B15 -0.6(4) . . . . ?
B19 B18 B20 B15 37.2(3) . . . . ?
B17 B18 B20 B16 -37.3(3) . . . . ?
B13 B18 B20 B16 0.4(4) . . . . ?
B14 B18 B20 B16 63.9(4) . . . . ?
B19 B18 B20 B16 101.7(3) . . . . ?
B17 B18 B20 B19 -138.9(3) . . . . ?
B13 B18 B20 B19 -101.2(3) . . . . ?
B14 B18 B20 B19 -37.8(3) . . . . ?
C6 B19 B20 B17 62.7(4) . . . . ?
B14 B19 B20 B17 1.0(4) . . . . ?
B15 B19 B20 B17 102.2(3) . . . . ?
B18 B19 B20 B17 -36.2(3) . . . . ?
C6 B19 B20 B15 -39.5(2) . . . . ?
B14 B19 B20 B15 -101.1(3) . . . . ?
B18 B19 B20 B15 -138.4(3) . . . . ?
C6 B19 B20 B16 -1.3(4) . . . . ?
B14 B19 B20 B16 -62.9(4) . . . . ?
B15 B19 B20 B16 38.2(3) . . . . ?
B18 B19 B20 B16 -100.1(3) . . . . ?
C6 B19 B20 B18 98.8(3) . . . . ?
B14 B19 B20 B18 37.2(3) . . . . ?
B15 B19 B20 B18 138.4(3) . . . . ?
Cu1A O1A C1A O2A 5.7(5) . . . . ?
Cu1A O1A C1A C2A -173.28(17) . . . . ?
O2A C1A C2A C3A 5.0(4) . . . . ?
O1A C1A C2A C3A -175.9(2) . . . . ?
O2A C1A C2A B2A 147.1(3) . . . . ?
O1A C1A C2A B2A -33.8(4) . . . . ?
O2A C1A C2A B3A -135.6(3) . . . . ?
O1A C1A C2A B3A 43.4(4) . . . . ?
O2A C1A C2A B1A 74.2(3) . . . . ?
O1A C1A C2A B1A -106.7(3) . . . . ?
O2A C1A C2A B4A -63.8(3) . . . . ?
O1A C1A C2A B4A 115.3(3) . . . . ?
C3A B1A C2A C1A -106.4(2) . . . . ?
B2A B1A C2A C1A 116.1(3) . . . . ?
B6A B1A C2A C1A 156.3(2) . . . . ?
B5A B1A C2A C1A -141.3(2) . . . . ?
B2A B1A C2A C3A -137.5(2) . . . . ?
B6A B1A C2A C3A -97.3(3) . . . . ?
B5A B1A C2A C3A -34.9(2) . . . . ?
C3A B1A C2A B2A 137.5(2) . . . . ?
B6A B1A C2A B2A 40.2(2) . . . . ?
B5A B1A C2A B2A 102.5(3) . . . . ?
C3A B1A C2A B3A 101.0(3) . . . . ?
B2A B1A C2A B3A -36.5(3) . . . . ?
B6A B1A C2A B3A 3.8(3) . . . . ?
B5A B1A C2A B3A 66.1(3) . . . . ?
C3A B1A C2A B4A 31.6(2) . . . . ?
B2A B1A C2A B4A -105.9(3) . . . . ?
B6A B1A C2A B4A -65.7(3) . . . . ?
B5A B1A C2A B4A -3.3(3) . . . . ?
C1A C2A B2A B7A 152.5(3) . . . . ?
C3A C2A B2A B7A -63.8(3) . . . . ?
B3A C2A B2A B7A 39.6(3) . . . . ?
B1A C2A B2A B7A -103.1(3) . . . . ?
B4A C2A B2A B7A 3.3(3) . . . . ?
C1A C2A B2A B6A -145.1(3) . . . . ?
C3A C2A B2A B6A -1.4(4) . . . . ?
B3A C2A B2A B6A 102.0(3) . . . . ?
B1A C2A B2A B6A -40.7(3) . . . . ?
B4A C2A B2A B6A 65.7(4) . . . . ?
C1A C2A B2A B1A -104.4(3) . . . . ?
C3A C2A B2A B1A 39.3(2) . . . . ?
B3A C2A B2A B1A 142.7(3) . . . . ?
B4A C2A B2A B1A 106.4(3) . . . . ?
C1A C2A B2A B3A 112.9(3) . . . . ?
C3A C2A B2A B3A -103.4(3) . . . . ?
B1A C2A B2A B3A -142.7(3) . . . . ?
B4A C2A B2A B3A -36.3(3) . . . . ?
C3A B1A B2A C2A -35.7(2) . . . . ?
B6A B1A B2A C2A -133.6(3) . . . . ?
B5A B1A B2A C2A -95.5(3) . . . . ?
C3A B1A B2A B7A 60.7(3) . . . . ?
C2A B1A B2A B7A 96.4(3) . . . . ?
B6A B1A B2A B7A -37.2(3) . . . . ?
B5A B1A B2A B7A 0.9(4) . . . . ?
C3A B1A B2A B6A 97.9(3) . . . . ?
C2A B1A B2A B6A 133.6(3) . . . . ?
B5A B1A B2A B6A 38.1(3) . . . . ?
C3A B1A B2A B3A -2.5(3) . . . . ?
C2A B1A B2A B3A 33.2(2) . . . . ?
B6A B1A B2A B3A -100.4(3) . . . . ?
B5A B1A B2A B3A -62.3(3) . . . . ?
C1A C2A C3A B5A 146.7(2) . . . . ?
B2A C2A C3A B5A -0.2(3) . . . . ?
B3A C2A C3A B5A -68.1(3) . . . . ?
B1A C2A C3A B5A 39.5(2) . . . . ?
B4A C2A C3A B5A -107.7(3) . . . . ?
C1A C2A C3A B9A -144.5(2) . . . . ?
B2A C2A C3A B9A 68.6(3) . . . . ?
B3A C2A C3A B9A 0.7(3) . . . . ?
B1A C2A C3A B9A 108.3(3) . . . . ?
B4A C2A C3A B9A -39.0(2) . . . . ?
C1A C2A C3A B1A 107.2(3) . . . . ?
B2A C2A C3A B1A -39.7(3) . . . . ?
B3A C2A C3A B1A -107.6(3) . . . . ?
B4A C2A C3A B1A -147.3(2) . . . . ?
C1A C2A C3A B4A -105.6(3) . . . . ?
B2A C2A C3A B4A 107.5(3) . . . . ?
B3A C2A C3A B4A 39.7(2) . . . . ?
B1A C2A C3A B4A 147.3(2) . . . . ?
B2A B1A C3A C2A 36.2(2) . . . . ?
B6A B1A C3A C2A 98.0(3) . . . . ?
B5A B1A C3A C2A 138.7(2) . . . . ?
C2A B1A C3A B5A -138.7(2) . . . . ?
B2A B1A C3A B5A -102.5(3) . . . . ?
B6A B1A C3A B5A -40.7(2) . . . . ?
C2A B1A C3A B9A -101.9(3) . . . . ?
B2A B1A C3A B9A -65.7(3) . . . . ?
B6A B1A C3A B9A -3.9(3) . . . . ?
B5A B1A C3A B9A 36.8(3) . . . . ?
C2A B1A C3A B4A -31.8(2) . . . . ?
B2A B1A C3A B4A 4.4(3) . . . . ?
B6A B1A C3A B4A 66.2(3) . . . . ?
B5A B1A C3A B4A 106.9(3) . . . . ?
C1A C2A B3A B7A -154.0(3) . . . . ?
C3A C2A B3A B7A 63.7(3) . . . . ?
B2A C2A B3A B7A -39.6(3) . . . . ?
B1A C2A B3A B7A -3.4(4) . . . . ?
B4A C2A B3A B7A 103.0(3) . . . . ?
C1A C2A B3A B4A 103.1(3) . . . . ?
C3A C2A B3A B4A -39.3(2) . . . . ?
B2A C2A B3A B4A -142.5(3) . . . . ?
B1A C2A B3A B4A -106.3(3) . . . . ?
C1A C2A B3A B2A -114.4(3) . . . . ?
C3A C2A B3A B2A 103.2(2) . . . . ?
B1A C2A B3A B2A 36.2(3) . . . . ?
B4A C2A B3A B2A 142.5(3) . . . . ?
C1A C2A B3A B8A 143.0(3) . . . . ?
C3A C2A B3A B8A 0.7(3) . . . . ?
B2A C2A B3A B8A -102.6(3) . . . . ?
B1A C2A B3A B8A -66.4(3) . . . . ?
B4A C2A B3A B8A 40.0(3) . . . . ?
B7A B2A B3A C2A -134.3(3) . . . . ?
B6A B2A B3A C2A -97.3(3) . . . . ?
B1A B2A B3A C2A -33.5(2) . . . . ?
C2A B2A B3A B7A 134.3(3) . . . . ?
B6A B2A B3A B7A 37.0(3) . . . . ?
B1A B2A B3A B7A 100.9(3) . . . . ?
C2A B2A B3A B4A 33.5(2) . . . . ?
B7A B2A B3A B4A -100.8(3) . . . . ?
B6A B2A B3A B4A -63.8(3) . . . . ?
B1A B2A B3A B4A 0.0(3) . . . . ?
C2A B2A B3A B8A 96.5(3) . . . . ?
B7A B2A B3A B8A -37.8(3) . . . . ?
B6A B2A B3A B8A -0.8(3) . . . . ?
B1A B2A B3A B8A 63.0(3) . . . . ?
Cu1A O3A C4A O4A -2.9(5) . . . . ?
Cu1A O3A C4A C5A 179.4(2) . . . . ?
B5A C3A B4A C2A 102.7(3) . . . . ?
B9A C3A B4A C2A 138.8(2) . . . . ?
B1A C3A B4A C2A 31.7(2) . . . . ?
C2A C3A B4A B8A -98.6(3) . . . . ?
B5A C3A B4A B8A 4.1(4) . . . . ?
B9A C3A B4A B8A 40.2(3) . . . . ?
B1A C3A B4A B8A -66.8(3) . . . . ?
C2A C3A B4A B3A -36.2(2) . . . . ?
B5A C3A B4A B3A 66.5(3) . . . . ?
B9A C3A B4A B3A 102.6(3) . . . . ?
B1A C3A B4A B3A -4.4(3) . . . . ?
C2A C3A B4A B9A -138.8(2) . . . . ?
B5A C3A B4A B9A -36.1(3) . . . . ?
B1A C3A B4A B9A -107.1(3) . . . . ?
C1A C2A B4A C3A 107.0(2) . . . . ?
B2A C2A B4A C3A -101.0(3) . . . . ?
B3A C2A B4A C3A -137.6(2) . . . . ?
B1A C2A B4A C3A -31.6(2) . . . . ?
C1A C2A B4A B8A -155.8(2) . . . . ?
C3A C2A B4A B8A 97.2(3) . . . . ?
B2A C2A B4A B8A -3.8(3) . . . . ?
B3A C2A B4A B8A -40.4(2) . . . . ?
B1A C2A B4A B8A 65.6(3) . . . . ?
C1A C2A B4A B3A -115.4(3) . . . . ?
C3A C2A B4A B3A 137.6(2) . . . . ?
B2A C2A B4A B3A 36.6(3) . . . . ?
B1A C2A B4A B3A 106.0(3) . . . . ?
C1A C2A B4A B9A 142.2(2) . . . . ?
C3A C2A B4A B9A 35.2(2) . . . . ?
B2A C2A B4A B9A -65.8(3) . . . . ?
B3A C2A B4A B9A -102.4(3) . . . . ?
B1A C2A B4A B9A 3.6(3) . . . . ?
C2A B3A B4A C3A 35.5(2) . . . . ?
B7A B3A B4A C3A -60.7(3) . . . . ?
B2A B3A B4A C3A 2.5(3) . . . . ?
B8A B3A B4A C3A -98.4(3) . . . . ?
B7A B3A B4A C2A -96.2(3) . . . . ?
B2A B3A B4A C2A -33.0(2) . . . . ?
B8A B3A B4A C2A -133.9(3) . . . . ?
C2A B3A B4A B8A 133.9(3) . . . . ?
B7A B3A B4A B8A 37.7(3) . . . . ?
B2A B3A B4A B8A 100.9(3) . . . . ?
C2A B3A B4A B9A 95.9(3) . . . . ?
B7A B3A B4A B9A -0.3(4) . . . . ?
B2A B3A B4A B9A 62.9(3) . . . . ?
B8A B3A B4A B9A -38.0(3) . . . . ?
O4A C4A C5A C6A 20.8(5) . . . . ?
O3A C4A C5A C6A -161.3(3) . . . . ?
O4A C4A C5A B13A 170.0(5) . . . . ?
O3A C4A C5A B13A -12.1(6) . . . . ?
O4A C4A C5A B11A -41.9(5) . . . . ?
O3A C4A C5A B11A 136.0(3) . . . . ?
O4A C4A C5A B14A 91.7(5) . . . . ?
O3A C4A C5A B14A -90.4(4) . . . . ?
O4A C4A C5A B12A -113.6(5) . . . . ?
O3A C4A C5A B12A 64.3(5) . . . . ?
C2A C3A B5A B10A 63.7(3) . . . . ?
B9A C3A B5A B10A -40.2(2) . . . . ?
B1A C3A B5A B10A 102.5(3) . . . . ?
B4A C3A B5A B10A -4.3(3) . . . . ?
C2A C3A B5A B9A 104.0(3) . . . . ?
B1A C3A B5A B9A 142.8(3) . . . . ?
B4A C3A B5A B9A 35.9(3) . . . . ?
C2A C3A B5A B1A -38.8(2) . . . . ?
B9A C3A B5A B1A -142.8(3) . . . . ?
B4A C3A B5A B1A -106.9(3) . . . . ?
C2A C3A B5A B6A 1.7(3) . . . . ?
B9A C3A B5A B6A -102.3(3) . . . . ?
B1A C3A B5A B6A 40.5(3) . . . . ?
B4A C3A B5A B6A -66.4(3) . . . . ?
C2A B1A B5A C3A 34.7(2) . . . . ?
B2A B1A B5A C3A 95.2(3) . . . . ?
B6A B1A B5A C3A 133.1(3) . . . . ?
C3A B1A B5A B10A -96.0(3) . . . . ?
C2A B1A B5A B10A -61.3(3) . . . . ?
B2A B1A B5A B10A -0.8(3) . . . . ?
B6A B1A B5A B10A 37.1(3) . . . . ?
C3A B1A B5A B9A -33.1(2) . . . . ?
C2A B1A B5A B9A 1.6(3) . . . . ?
B2A B1A B5A B9A 62.1(3) . . . . ?
B6A B1A B5A B9A 100.0(3) . . . . ?
C3A B1A B5A B6A -133.1(3) . . . . ?
C2A B1A B5A B6A -98.4(3) . . . . ?
B2A B1A B5A B6A -37.9(3) . . . . ?
C4A C5A C6A B11A -104.8(3) . . . . ?
B13A C5A C6A B11A 101.6(4) . . . . ?
B14A C5A C6A B11A 143.0(3) . . . . ?
B12A C5A C6A B11A 34.5(3) . . . . ?
C4A C5A C6A B15A -145.2(4) . . . . ?
B13A C5A C6A B15A 61.3(5) . . . . ?
B11A C5A C6A B15A -40.3(4) . . . . ?
B14A C5A C6A B15A 102.7(4) . . . . ?
B12A C5A C6A B15A -5.8(5) . . . . ?
C4A C5A C6A B19A 151.2(3) . . . . ?
B13A C5A C6A B19A -2.4(5) . . . . ?
B11A C5A C6A B19A -103.9(4) . . . . ?
B14A C5A C6A B19A 39.1(4) . . . . ?
B12A C5A C6A B19A -69.4(4) . . . . ?
C4A C5A C6A B14A 112.2(3) . . . . ?
B13A C5A C6A B14A -41.4(4) . . . . ?
B11A C5A C6A B14A -143.0(3) . . . . ?
B12A C5A C6A B14A -108.4(4) . . . . ?
C2A B2A B6A B7A -98.3(3) . . . . ?
B1A B2A B6A B7A -138.6(3) . . . . ?
B3A B2A B6A B7A -36.8(3) . . . . ?
C2A B2A B6A B1A 40.4(3) . . . . ?
B7A B2A B6A B1A 138.6(3) . . . . ?
B3A B2A B6A B1A 101.9(3) . . . . ?
C2A B2A B6A B10A -60.2(4) . . . . ?
B7A B2A B6A B10A 38.0(3) . . . . ?
B1A B2A B6A B10A -100.6(3) . . . . ?
B3A B2A B6A B10A 1.3(4) . . . . ?
C2A B2A B6A B5A 2.4(4) . . . . ?
B7A B2A B6A B5A 100.7(3) . . . . ?
B1A B2A B6A B5A -38.0(3) . . . . ?
B3A B2A B6A B5A 63.9(4) . . . . ?
C3A B1A B6A B7A -61.4(3) . . . . ?
C2A B1A B6A B7A -2.5(3) . . . . ?
B2A B1A B6A B7A 36.8(3) . . . . ?
B5A B1A B6A B7A -100.6(3) . . . . ?
C3A B1A B6A B2A -98.2(3) . . . . ?
C2A B1A B6A B2A -39.4(2) . . . . ?
B5A B1A B6A B2A -137.4(3) . . . . ?
C3A B1A B6A B10A 2.5(3) . . . . ?
C2A B1A B6A B10A 61.3(3) . . . . ?
B2A B1A B6A B10A 100.6(3) . . . . ?
B5A B1A B6A B10A -36.8(3) . . . . ?
C3A B1A B6A B5A 39.3(2) . . . . ?
C2A B1A B6A B5A 98.1(3) . . . . ?
B2A B1A B6A B5A 137.4(3) . . . . ?
C3A B5A B6A B7A 60.5(3) . . . . ?
B10A B5A B6A B7A -37.6(3) . . . . ?
B9A B5A B6A B7A -0.9(3) . . . . ?
B1A B5A B6A B7A 100.8(3) . . . . ?
C3A B5A B6A B2A -2.5(4) . . . . ?
B10A B5A B6A B2A -100.6(3) . . . . ?
B9A B5A B6A B2A -63.8(4) . . . . ?
B1A B5A B6A B2A 37.9(3) . . . . ?
C3A B5A B6A B1A -40.3(2) . . . . ?
B10A B5A B6A B1A -138.4(3) . . . . ?
B9A B5A B6A B1A -101.7(3) . . . . ?
C3A B5A B6A B10A 98.1(3) . . . . ?
B9A B5A B6A B10A 36.8(2) . . . . ?
B1A B5A B6A B10A 138.4(3) . . . . ?
C2A B3A B7A B2A 38.9(2) . . . . ?
B4A B3A B7A B2A 101.0(3) . . . . ?
B8A B3A B7A B2A 138.1(3) . . . . ?
C2A B3A B7A B6A 1.5(4) . . . . ?
B4A B3A B7A B6A 63.6(4) . . . . ?
B2A B3A B7A B6A -37.4(3) . . . . ?
B8A B3A B7A B6A 100.8(3) . . . . ?
C2A B3A B7A B10A -62.2(4) . . . . ?
B4A B3A B7A B10A -0.1(4) . . . . ?
B2A B3A B7A B10A -101.1(3) . . . . ?
B8A B3A B7A B10A 37.1(3) . . . . ?
C2A B3A B7A B8A -99.2(3) . . . . ?
B4A B3A B7A B8A -37.1(3) . . . . ?
B2A B3A B7A B8A -138.1(3) . . . . ?
C2A B2A B7A B3A -39.2(2) . . . . ?
B6A B2A B7A B3A -138.7(3) . . . . ?
B1A B2A B7A B3A -101.4(3) . . . . ?
C2A B2A B7A B6A 99.5(3) . . . . ?
B1A B2A B7A B6A 37.2(3) . . . . ?
B3A B2A B7A B6A 138.7(3) . . . . ?
C2A B2A B7A B10A 61.5(4) . . . . ?
B6A B2A B7A B10A -38.0(3) . . . . ?
B1A B2A B7A B10A -0.7(4) . . . . ?
B3A B2A B7A B10A 100.7(3) . . . . ?
C2A B2A B7A B8A -1.4(4) . . . . ?
B6A B2A B7A B8A -100.9(3) . . . . ?
B1A B2A B7A B8A -63.6(4) . . . . ?
B3A B2A B7A B8A 37.8(3) . . . . ?
B2A B6A B7A B3A 37.6(3) . . . . ?
B1A B6A B7A B3A 0.7(4) . . . . ?
B10A B6A B7A B3A -100.0(3) . . . . ?
B5A B6A B7A B3A -62.8(4) . . . . ?
B1A B6A B7A B2A -36.9(3) . . . . ?
B10A B6A B7A B2A -137.6(3) . . . . ?
B5A B6A B7A B2A -100.4(3) . . . . ?
B2A B6A B7A B10A 137.6(3) . . . . ?
B1A B6A B7A B10A 100.6(3) . . . . ?
B5A B6A B7A B10A 37.1(2) . . . . ?
B2A B6A B7A B8A 101.7(3) . . . . ?
B1A B6A B7A B8A 64.7(3) . . . . ?
B10A B6A B7A B8A -35.9(3) . . . . ?
B5A B6A B7A B8A 1.2(3) . . . . ?
C11A N1A C7A C8A -6.2(7) . . . . ?
Cu1A N1A C7A C8A 174.3(4) . . . . ?
N1A C7A C8A C9A 4.6(9) . . . . ?
C3A B4A B8A B9A -39.3(2) . . . . ?
C2A B4A B8A B9A -98.1(3) . . . . ?
B3A B4A B8A B9A -137.4(3) . . . . ?
C3A B4A B8A B10A -2.0(4) . . . . ?
C2A B4A B8A B10A -60.8(3) . . . . ?
B3A B4A B8A B10A -100.1(3) . . . . ?
B9A B4A B8A B10A 37.3(3) . . . . ?
C3A B4A B8A B3A 98.0(3) . . . . ?
C2A B4A B8A B3A 39.3(2) . . . . ?
B9A B4A B8A B3A 137.4(3) . . . . ?
C3A B4A B8A B7A 61.4(3) . . . . ?
C2A B4A B8A B7A 2.6(4) . . . . ?
B3A B4A B8A B7A -36.6(3) . . . . ?
B9A B4A B8A B7A 100.7(3) . . . . ?
C2A B3A B8A B4A -40.0(2) . . . . ?
B7A B3A B8A B4A -138.3(3) . . . . ?
B2A B3A B8A B4A -100.9(3) . . . . ?
C2A B3A B8A B9A -1.7(4) . . . . ?
B7A B3A B8A B9A -100.0(3) . . . . ?
B4A B3A B8A B9A 38.3(3) . . . . ?
B2A B3A B8A B9A -62.7(4) . . . . ?
C2A B3A B8A B10A 61.0(3) . . . . ?
B7A B3A B8A B10A -37.3(3) . . . . ?
B4A B3A B8A B10A 101.0(3) . . . . ?
B2A B3A B8A B10A 0.1(3) . . . . ?
C2A B3A B8A B7A 98.3(3) . . . . ?
B4A B3A B8A B7A 138.3(3) . . . . ?
B2A B3A B8A B7A 37.4(3) . . . . ?
B3A B7A B8A B4A 37.2(3) . . . . ?
B2A B7A B8A B4A -0.8(4) . . . . ?
B6A B7A B8A B4A -64.8(3) . . . . ?
B10A B7A B8A B4A -101.0(3) . . . . ?
B3A B7A B8A B9A 100.8(3) . . . . ?
B2A B7A B8A B9A 62.8(4) . . . . ?
B6A B7A B8A B9A -1.1(4) . . . . ?
B10A B7A B8A B9A -37.3(3) . . . . ?
B3A B7A B8A B10A 138.2(3) . . . . ?
B2A B7A B8A B10A 100.2(3) . . . . ?
B6A B7A B8A B10A 36.2(3) . . . . ?
B2A B7A B8A B3A -38.0(3) . . . . ?
B6A B7A B8A B3A -102.0(3) . . . . ?
B10A B7A B8A B3A -138.2(3) . . . . ?
C2A C3A B9A B10A -64.2(3) . . . . ?
B5A C3A B9A B10A 40.5(2) . . . . ?
B1A C3A B9A B10A 3.7(3) . . . . ?
B4A C3A B9A B10A -102.8(3) . . . . ?
C2A C3A B9A B8A -1.7(3) . . . . ?
B5A C3A B9A B8A 102.9(3) . . . . ?
B1A C3A B9A B8A 66.1(3) . . . . ?
B4A C3A B9A B8A -40.4(3) . . . . ?
C2A C3A B9A B5A -104.7(3) . . . . ?
B1A C3A B9A B5A -36.8(3) . . . . ?
B4A C3A B9A B5A -143.3(3) . . . . ?
C2A C3A B9A B4A 38.6(2) . . . . ?
B5A C3A B9A B4A 143.3(3) . . . . ?
B1A C3A B9A B4A 106.5(3) . . . . ?
B4A B8A B9A C3A 40.2(2) . . . . ?
B10A B8A B9A C3A -97.7(3) . . . . ?
B3A B8A B9A C3A 2.1(4) . . . . ?
B7A B8A B9A C3A -60.1(3) . . . . ?
B4A B8A B9A B10A 138.0(3) . . . . ?
B3A B8A B9A B10A 99.8(3) . . . . ?
B7A B8A B9A B10A 37.6(3) . . . . ?
B4A B8A B9A B5A 100.9(3) . . . . ?
B10A B8A B9A B5A -37.1(3) . . . . ?
B3A B8A B9A B5A 62.8(4) . . . . ?
B7A B8A B9A B5A 0.6(3) . . . . ?
B10A B8A B9A B4A -138.0(3) . . . . ?
B3A B8A B9A B4A -38.1(3) . . . . ?
B7A B8A B9A B4A -100.3(3) . . . . ?
B10A B5A B9A C3A 133.3(3) . . . . ?
B1A B5A B9A C3A 33.3(2) . . . . ?
B6A B5A B9A C3A 96.3(3) . . . . ?
C3A B5A B9A B10A -133.3(3) . . . . ?
B1A B5A B9A B10A -100.0(3) . . . . ?
B6A B5A B9A B10A -37.0(2) . . . . ?
C3A B5A B9A B8A -96.1(3) . . . . ?
B10A B5A B9A B8A 37.2(3) . . . . ?
B1A B5A B9A B8A -62.8(3) . . . . ?
B6A B5A B9A B8A 0.2(3) . . . . ?
C3A B5A B9A B4A -32.8(2) . . . . ?
B10A B5A B9A B4A 100.5(3) . . . . ?
B1A B5A B9A B4A 0.5(4) . . . . ?
B6A B5A B9A B4A 63.5(3) . . . . ?
C2A B4A B9A C3A -34.6(2) . . . . ?
B8A B4A B9A C3A -133.5(3) . . . . ?
B3A B4A B9A C3A -95.3(3) . . . . ?
C3A B4A B9A B10A 95.8(3) . . . . ?
C2A B4A B9A B10A 61.2(3) . . . . ?
B8A B4A B9A B10A -37.7(3) . . . . ?
B3A B4A B9A B10A 0.5(4) . . . . ?
C3A B4A B9A B8A 133.5(3) . . . . ?
C2A B4A B9A B8A 98.9(3) . . . . ?
B3A B4A B9A B8A 38.2(3) . . . . ?
C3A B4A B9A B5A 32.3(2) . . . . ?
C2A B4A B9A B5A -2.3(3) . . . . ?
B8A B4A B9A B5A -101.2(3) . . . . ?
B3A B4A B9A B5A -63.0(3) . . . . ?
C7A C8A C9A C10A -0.2(9) . . . . ?
C7A C8A C9A C12A 177.8(5) . . . . ?
C3A B9A B10A B5A -39.5(2) . . . . ?
B8A B9A B10A B5A -138.8(3) . . . . ?
B4A B9A B10A B5A -101.4(3) . . . . ?
C3A B9A B10A B8A 99.3(3) . . . . ?
B5A B9A B10A B8A 138.8(3) . . . . ?
B4A B9A B10A B8A 37.4(3) . . . . ?
C3A B9A B10A B6A -1.8(4) . . . . ?
B8A B9A B10A B6A -101.1(3) . . . . ?
B5A B9A B10A B6A 37.7(3) . . . . ?
B4A B9A B10A B6A -63.7(4) . . . . ?
C3A B9A B10A B7A 61.3(4) . . . . ?
B8A B9A B10A B7A -38.0(3) . . . . ?
B5A B9A B10A B7A 100.8(3) . . . . ?
B4A B9A B10A B7A -0.6(4) . . . . ?
C3A B5A B10A B9A 39.9(2) . . . . ?
B1A B5A B10A B9A 101.7(3) . . . . ?
B6A B5A B10A B9A 138.5(3) . . . . ?
C3A B5A B10A B8A 2.7(4) . . . . ?
B9A B5A B10A B8A -37.2(3) . . . . ?
B1A B5A B10A B8A 64.5(4) . . . . ?
B6A B5A B10A B8A 101.4(3) . . . . ?
C3A B5A B10A B6A -98.6(3) . . . . ?
B9A B5A B10A B6A -138.5(3) . . . . ?
B1A B5A B10A B6A -36.9(2) . . . . ?
C3A B5A B10A B7A -61.4(3) . . . . ?
B9A B5A B10A B7A -101.3(3) . . . . ?
B1A B5A B10A B7A 0.4(4) . . . . ?
B6A B5A B10A B7A 37.3(3) . . . . ?
B4A B8A B10A B9A -37.7(3) . . . . ?
B3A B8A B10A B9A -101.1(3) . . . . ?
B7A B8A B10A B9A -137.8(3) . . . . ?
B4A B8A B10A B5A -0.4(4) . . . . ?
B9A B8A B10A B5A 37.3(3) . . . . ?
B3A B8A B10A B5A -63.8(4) . . . . ?
B7A B8A B10A B5A -100.5(3) . . . . ?
B4A B8A B10A B6A 64.1(4) . . . . ?
B9A B8A B10A B6A 101.8(3) . . . . ?
B3A B8A B10A B6A 0.7(4) . . . . ?
B7A B8A B10A B6A -36.0(3) . . . . ?
B4A B8A B10A B7A 100.1(3) . . . . ?
B9A B8A B10A B7A 137.8(3) . . . . ?
B3A B8A B10A B7A 36.7(3) . . . . ?
B7A B6A B10A B9A 100.5(3) . . . . ?
B2A B6A B10A B9A 62.8(4) . . . . ?
B1A B6A B10A B9A -0.4(4) . . . . ?
B5A B6A B10A B9A -37.6(3) . . . . ?
B7A B6A B10A B5A 138.1(3) . . . . ?
B2A B6A B10A B5A 100.4(3) . . . . ?
B1A B6A B10A B5A 37.2(3) . . . . ?
B7A B6A B10A B8A 36.5(3) . . . . ?
B2A B6A B10A B8A -1.2(4) . . . . ?
B1A B6A B10A B8A -64.5(4) . . . . ?
B5A B6A B10A B8A -101.6(3) . . . . ?
B2A B6A B10A B7A -37.7(3) . . . . ?
B1A B6A B10A B7A -100.9(3) . . . . ?
B5A B6A B10A B7A -138.1(3) . . . . ?
B3A B7A B10A B9A 0.4(4) . . . . ?
B2A B7A B10A B9A -63.8(4) . . . . ?
B6A B7A B10A B9A -101.9(3) . . . . ?
B8A B7A B10A B9A 37.8(3) . . . . ?
B3A B7A B10A B5A 64.4(4) . . . . ?
B2A B7A B10A B5A 0.2(4) . . . . ?
B6A B7A B10A B5A -37.8(3) . . . . ?
B8A B7A B10A B5A 101.9(3) . . . . ?
B3A B7A B10A B8A -37.5(3) . . . . ?
B2A B7A B10A B8A -101.7(3) . . . . ?
B6A B7A B10A B8A -139.7(3) . . . . ?
B3A B7A B10A B6A 102.2(3) . . . . ?
B2A B7A B10A B6A 38.0(3) . . . . ?
B8A B7A B10A B6A 139.7(3) . . . . ?
C8A C9A C10A C11A -1.7(8) . . . . ?
C12A C9A C10A C11A -179.8(5) . . . . ?
C7A N1A C11A C10A 4.2(6) . . . . ?
Cu1A N1A C11A C10A -176.4(4) . . . . ?
C9A C10A C11A N1A -0.3(8) . . . . ?
B15A C6A B11A C5A 138.1(3) . . . . ?
B19A C6A B11A C5A 102.3(3) . . . . ?
B14A C6A B11A C5A 34.8(3) . . . . ?
C5A C6A B11A B15A -138.1(3) . . . . ?
B19A C6A B11A B15A -35.8(3) . . . . ?
B14A C6A B11A B15A -103.3(3) . . . . ?
C5A C6A B11A B16A -99.9(4) . . . . ?
B15A C6A B11A B16A 38.2(4) . . . . ?
B19A C6A B11A B16A 2.4(5) . . . . ?
B14A C6A B11A B16A -65.1(5) . . . . ?
C5A C6A B11A B12A -34.0(3) . . . . ?
B15A C6A B11A B12A 104.1(4) . . . . ?
B19A C6A B11A B12A 68.3(4) . . . . ?
B14A C6A B11A B12A 0.8(4) . . . . ?
C4A C5A B11A C6A 105.1(3) . . . . ?
B13A C5A B11A C6A -102.1(4) . . . . ?
B14A C5A B11A C6A -33.9(3) . . . . ?
B12A C5A B11A C6A -142.6(3) . . . . ?
C4A C5A B11A B15A 143.5(3) . . . . ?
C6A C5A B11A B15A 38.4(3) . . . . ?
B13A C5A B11A B15A -63.7(5) . . . . ?
B14A C5A B11A B15A 4.5(4) . . . . ?
B12A C5A B11A B15A -104.2(4) . . . . ?
C4A C5A B11A B16A -151.5(3) . . . . ?
C6A C5A B11A B16A 103.4(4) . . . . ?
B13A C5A B11A B16A 1.3(5) . . . . ?
B14A C5A B11A B16A 69.6(5) . . . . ?
B12A C5A B11A B16A -39.2(4) . . . . ?
C4A C5A B11A B12A -112.3(3) . . . . ?
C6A C5A B11A B12A 142.6(3) . . . . ?
B13A C5A B11A B12A 40.5(4) . . . . ?
B14A C5A B11A B12A 108.8(4) . . . . ?
C4A C5A B12A B11A 105.3(3) . . . . ?
C6A C5A B12A B11A -32.0(3) . . . . ?
B13A C5A B12A B11A -136.9(3) . . . . ?
B14A C5A B12A B11A -98.5(4) . . . . ?
C4A C5A B12A B13A -117.8(3) . . . . ?
C6A C5A B12A B13A 104.9(3) . . . . ?
B11A C5A B12A B13A 136.9(3) . . . . ?
B14A C5A B12A B13A 38.4(4) . . . . ?
C4A C5A B12A B17A -157.0(4) . . . . ?
C6A C5A B12A B17A 65.7(5) . . . . ?
B13A C5A B12A B17A -39.2(4) . . . . ?
B11A C5A B12A B17A 97.7(5) . . . . ?
B14A C5A B12A B17A -0.8(6) . . . . ?
C4A C5A B12A B16A 142.5(3) . . . . ?
C6A C5A B12A B16A 5.1(5) . . . . ?
B13A C5A B12A B16A -99.8(4) . . . . ?
B11A C5A B12A B16A 37.2(4) . . . . ?
B14A C5A B12A B16A -61.4(6) . . . . ?
C6A B11A B12A C5A 34.6(3) . . . . ?
B15A B11A B12A C5A 100.8(4) . . . . ?
B16A B11A B12A C5A 136.7(4) . . . . ?
C6A B11A B12A B13A -2.1(4) . . . . ?
C5A B11A B12A B13A -36.7(3) . . . . ?
B15A B11A B12A B13A 64.1(5) . . . . ?
B16A B11A B12A B13A 100.0(4) . . . . ?
C6A B11A B12A B17A -64.1(5) . . . . ?
C5A B11A B12A B17A -98.8(5) . . . . ?
B15A B11A B12A B17A 2.0(6) . . . . ?
B16A B11A B12A B17A 38.0(4) . . . . ?
C6A B11A B12A B16A -102.1(4) . . . . ?
C5A B11A B12A B16A -136.7(4) . . . . ?
B15A B11A B12A B16A -35.9(4) . . . . ?
C17A N2A C13A C14A 0.8(9) . . . . ?
Cu1A N2A C13A C14A -178.2(5) . . . . ?
C4A C5A B13A B12A 109.0(4) . . . . ?
C6A C5A B13A B12A -100.6(4) . . . . ?
B11A C5A B13A B12A -40.4(4) . . . . ?
B14A C5A B13A B12A -141.0(3) . . . . ?
C4A C5A B13A B17A 148.6(4) . . . . ?
C6A C5A B13A B17A -61.1(5) . . . . ?
B11A C5A B13A B17A -0.8(5) . . . . ?
B14A C5A B13A B17A -101.5(4) . . . . ?
B12A C5A B13A B17A 39.6(4) . . . . ?
C4A C5A B13A B18A -148.2(4) . . . . ?
C6A C5A B13A B18A 2.1(6) . . . . ?
B11A C5A B13A B18A 62.4(6) . . . . ?
B14A C5A B13A B18A -38.2(4) . . . . ?
B12A C5A B13A B18A 102.8(5) . . . . ?
C4A C5A B13A B14A -109.9(4) . . . . ?
C6A C5A B13A B14A 40.4(3) . . . . ?
B11A C5A B13A B14A 100.7(4) . . . . ?
B12A C5A B13A B14A 141.0(3) . . . . ?
B11A B12A B13A C5A 36.8(2) . . . . ?
B17A B12A B13A C5A 135.1(3) . . . . ?
B16A B12A B13A C5A 97.6(4) . . . . ?
C5A B12A B13A B17A -135.1(3) . . . . ?
B11A B12A B13A B17A -98.2(4) . . . . ?
B16A B12A B13A B17A -37.5(4) . . . . ?
C5A B12A B13A B18A -97.6(4) . . . . ?
B11A B12A B13A B18A -60.7(5) . . . . ?
B17A B12A B13A B18A 37.5(4) . . . . ?
B16A B12A B13A B18A 0.0(6) . . . . ?
C5A B12A B13A B14A -34.3(3) . . . . ?
B11A B12A B13A B14A 2.5(4) . . . . ?
B17A B12A B13A B14A 100.7(3) . . . . ?
B16A B12A B13A B14A 63.2(4) . . . . ?
N2A C13A C14A C15A 3.0(11) . . . . ?
C4A C5A B14A C6A -105.1(3) . . . . ?
B13A C5A B14A C6A 136.6(3) . . . . ?
B11A C5A B14A C6A 31.6(3) . . . . ?
B12A C5A B14A C6A 98.8(4) . . . . ?
C4A C5A B14A B19A -141.6(3) . . . . ?
C6A C5A B14A B19A -36.5(3) . . . . ?
B13A C5A B14A B19A 100.1(4) . . . . ?
B11A C5A B14A B19A -4.9(5) . . . . ?
B12A C5A B14A B19A 62.2(6) . . . . ?
C4A C5A B14A B18A 156.4(3) . . . . ?
C6A C5A B14A B18A -98.5(3) . . . . ?
B13A C5A B14A B18A 38.1(3) . . . . ?
B11A C5A B14A B18A -66.9(4) . . . . ?
B12A C5A B14A B18A 0.3(5) . . . . ?
C4A C5A B14A B13A 118.3(3) . . . . ?
C6A C5A B14A B13A -136.6(3) . . . . ?
B11A C5A B14A B13A -105.0(3) . . . . ?
B12A C5A B14A B13A -37.9(4) . . . . ?
B11A C6A B14A C5A -35.8(3) . . . . ?
B15A C6A B14A C5A -104.9(4) . . . . ?
B19A C6A B14A C5A -137.9(4) . . . . ?
B11A C6A B14A B19A 102.1(4) . . . . ?
C5A C6A B14A B19A 137.9(4) . . . . ?
B15A C6A B14A B19A 33.0(4) . . . . ?
B11A C6A B14A B18A 62.7(4) . . . . ?
C5A C6A B14A B18A 98.5(4) . . . . ?
B15A C6A B14A B18A -6.4(5) . . . . ?
B19A C6A B14A B18A -39.4(4) . . . . ?
B11A C6A B14A B13A 0.8(4) . . . . ?
C5A C6A B14A B13A 36.6(2) . . . . ?
B15A C6A B14A B13A -68.3(4) . . . . ?
B19A C6A B14A B13A -101.3(4) . . . . ?
B12A B13A B14A C5A 34.7(3) . . . . ?
B17A B13A B14A C5A 98.2(4) . . . . ?
B18A B13A B14A C5A 136.3(4) . . . . ?
C5A B13A B14A C6A -36.8(3) . . . . ?
B12A B13A B14A C6A -2.1(4) . . . . ?
B17A B13A B14A C6A 61.4(5) . . . . ?
B18A B13A B14A C6A 99.5(3) . . . . ?
C5A B13A B14A B19A -97.9(4) . . . . ?
B12A B13A B14A B19A -63.2(4) . . . . ?
B17A B13A B14A B19A 0.3(6) . . . . ?
B18A B13A B14A B19A 38.4(4) . . . . ?
C5A B13A B14A B18A -136.3(4) . . . . ?
B12A B13A B14A B18A -101.6(4) . . . . ?
B17A B13A B14A B18A -38.1(4) . . . . ?
B11A C6A B15A B19A -140.3(4) . . . . ?
C5A C6A B15A B19A -100.1(4) . . . . ?
B14A C6A B15A B19A -34.2(4) . . . . ?
C5A C6A B15A B11A 40.3(3) . . . . ?
B19A C6A B15A B11A 140.3(4) . . . . ?
B14A C6A B15A B11A 106.1(4) . . . . ?
B11A C6A B15A B16A -36.6(4) . . . . ?
C5A C6A B15A B16A 3.6(5) . . . . ?
B19A C6A B15A B16A 103.7(4) . . . . ?
B14A C6A B15A B16A 69.5(5) . . . . ?
B11A C6A B15A B20A -98.9(4) . . . . ?
C5A C6A B15A B20A -58.7(5) . . . . ?
B19A C6A B15A B20A 41.4(3) . . . . ?
B14A C6A B15A B20A 7.2(6) . . . . ?
C6A B11A B15A B19A 36.2(4) . . . . ?
C5A B11A B15A B19A -2.2(5) . . . . ?
B16A B11A B15A B19A -102.2(4) . . . . ?
B12A B11A B15A B19A -66.2(5) . . . . ?
C5A B11A B15A C6A -38.4(3) . . . . ?
B16A B11A B15A C6A -138.4(4) . . . . ?
B12A B11A B15A C6A -102.4(4) . . . . ?
C6A B11A B15A B16A 138.4(4) . . . . ?
C5A B11A B15A B16A 100.0(4) . . . . ?
B12A B11A B15A B16A 36.0(5) . . . . ?
C6A B11A B15A B20A 100.7(4) . . . . ?
C5A B11A B15A B20A 62.3(4) . . . . ?
B16A B11A B15A B20A -37.7(4) . . . . ?
B12A B11A B15A B20A -1.7(5) . . . . ?
C13A C14A C15A C16A -5.1(10) . . . . ?
C13A C14A C15A C18A 178.4(6) . . . . ?
C6A B11A B16A B17A 63.7(5) . . . . ?
C5A B11A B16A B17A -1.2(6) . . . . ?
B15A B11A B16A B17A 101.9(4) . . . . ?
B12A B11A B16A B17A -39.6(5) . . . . ?
C6A B11A B16A B15A -38.2(4) . . . . ?
C5A B11A B16A B15A -103.2(4) . . . . ?
B12A B11A B16A B15A -141.5(4) . . . . ?
C6A B11A B16A B20A 0.5(6) . . . . ?
C5A B11A B16A B20A -64.5(5) . . . . ?
B15A B11A B16A B20A 38.7(4) . . . . ?
B12A B11A B16A B20A -102.9(5) . . . . ?
C6A B11A B16A B12A 103.3(4) . . . . ?
C5A B11A B16A B12A 38.4(4) . . . . ?
B15A B11A B16A B12A 141.5(4) . . . . ?
B19A B15A B16A B11A 99.6(3) . . . . ?
C6A B15A B16A B11A 34.5(3) . . . . ?
B20A B15A B16A B11A 137.3(4) . . . . ?
B19A B15A B16A B17A 0.6(5) . . . . ?
C6A B15A B16A B17A -64.4(5) . . . . ?
B11A B15A B16A B17A -99.0(4) . . . . ?
B20A B15A B16A B17A 38.4(3) . . . . ?
B19A B15A B16A B20A -37.8(3) . . . . ?
C6A B15A B16A B20A -102.8(4) . . . . ?
B11A B15A B16A B20A -137.3(4) . . . . ?
B19A B15A B16A B12A 64.8(5) . . . . ?
C6A B15A B16A B12A -0.2(6) . . . . ?
B11A B15A B16A B12A -34.8(4) . . . . ?
B20A B15A B16A B12A 102.6(5) . . . . ?
C5A B12A B16A B11A -37.1(3) . . . . ?
B13A B12A B16A B11A -97.3(4) . . . . ?
B17A B12A B16A B11A -135.5(4) . . . . ?
C5A B12A B16A B17A 98.5(5) . . . . ?
B11A B12A B16A B17A 135.5(4) . . . . ?
B13A B12A B16A B17A 38.2(5) . . . . ?
C5A B12A B16A B15A -3.0(6) . . . . ?
B11A B12A B16A B15A 34.1(4) . . . . ?
B13A B12A B16A B15A -63.2(6) . . . . ?
B17A B12A B16A B15A -101.5(5) . . . . ?
C5A B12A B16A B20A 62.5(5) . . . . ?
B11A B12A B16A B20A 99.6(5) . . . . ?
B13A B12A B16A B20A 2.3(6) . . . . ?
B17A B12A B16A B20A -35.9(4) . . . . ?
C14A C15A C16A C17A 3.8(8) . . . . ?
C18A C15A C16A C17A -179.8(5) . . . . ?
B11A B16A B17A B20A -100.9(4) . . . . ?
B15A B16A B17A B20A -39.0(3) . . . . ?
B12A B16A B17A B20A -140.4(4) . . . . ?
B11A B16A B17A B13A 0.8(6) . . . . ?
B15A B16A B17A B13A 62.6(5) . . . . ?
B20A B16A B17A B13A 101.6(5) . . . . ?
B12A B16A B17A B13A -38.7(4) . . . . ?
B11A B16A B17A B12A 39.5(4) . . . . ?
B15A B16A B17A B12A 101.3(4) . . . . ?
B20A B16A B17A B12A 140.4(4) . . . . ?
B11A B16A B17A B18A -62.5(5) . . . . ?
B15A B16A B17A B18A -0.7(4) . . . . ?
B20A B16A B17A B18A 38.3(3) . . . . ?
B12A B16A B17A B18A -102.0(4) . . . . ?
C5A B13A B17A B16A 0.0(6) . . . . ?
B12A B13A B17A B16A 39.3(5) . . . . ?
B18A B13A B17A B16A -99.2(4) . . . . ?
B14A B13A B17A B16A -61.5(6) . . . . ?
C5A B13A B17A B20A 64.3(6) . . . . ?
B12A B13A B17A B20A 103.6(5) . . . . ?
B18A B13A B17A B20A -35.0(4) . . . . ?
B14A B13A B17A B20A 2.8(6) . . . . ?
C5A B13A B17A B12A -39.3(4) . . . . ?
B18A B13A B17A B12A -138.5(4) . . . . ?
B14A B13A B17A B12A -100.8(4) . . . . ?
C5A B13A B17A B18A 99.2(5) . . . . ?
B12A B13A B17A B18A 138.5(4) . . . . ?
B14A B13A B17A B18A 37.7(4) . . . . ?
C5A B12A B17A B16A -98.3(5) . . . . ?
B11A B12A B17A B16A -38.0(4) . . . . ?
B13A B12A B17A B16A -136.6(4) . . . . ?
C5A B12A B17A B20A -61.9(7) . . . . ?
B11A B12A B17A B20A -1.5(7) . . . . ?
B13A B12A B17A B20A -100.1(6) . . . . ?
B16A B12A B17A B20A 36.5(4) . . . . ?
C5A B12A B17A B13A 38.2(4) . . . . ?
B11A B12A B17A B13A 98.6(4) . . . . ?
B16A B12A B17A B13A 136.6(4) . . . . ?
C5A B12A B17A B18A 1.0(6) . . . . ?
B11A B12A B17A B18A 61.4(6) . . . . ?
B13A B12A B17A B18A -37.2(5) . . . . ?
B16A B12A B17A B18A 99.4(4) . . . . ?
C13A N2A C17A C16A -2.2(7) . . . . ?
Cu1A N2A C17A C16A 176.8(4) . . . . ?
C15A C16A C17A N2A -0.1(8) . . . . ?
C5A B14A B18A B20A 63.3(5) . . . . ?
C6A B14A B18A B20A 3.0(5) . . . . ?
B19A B14A B18A B20A -36.0(4) . . . . ?
B13A B14A B18A B20A 100.3(5) . . . . ?
C5A B14A B18A B19A 99.2(4) . . . . ?
C6A B14A B18A B19A 39.0(4) . . . . ?
B13A B14A B18A B19A 136.3(4) . . . . ?
C5A B14A B18A B13A -37.1(3) . . . . ?
C6A B14A B18A B13A -97.3(4) . . . . ?
B19A B14A B18A B13A -136.3(4) . . . . ?
C5A B14A B18A B17A 0.4(5) . . . . ?
C6A B14A B18A B17A -59.8(5) . . . . ?
B19A B14A B18A B17A -98.8(4) . . . . ?
B13A B14A B18A B17A 37.5(4) . . . . ?
C5A B13A B18A B20A -64.8(6) . . . . ?
B12A B13A B18A B20A -2.3(6) . . . . ?
B17A B13A B18A B20A 35.0(4) . . . . ?
B14A B13A B18A B20A -102.6(5) . . . . ?
C5A B13A B18A B19A -1.1(7) . . . . ?
B12A B13A B18A B19A 61.4(6) . . . . ?
B17A B13A B18A B19A 98.7(4) . . . . ?
B14A B13A B18A B19A -38.9(4) . . . . ?
C5A B13A B18A B14A 37.7(4) . . . . ?
B12A B13A B18A B14A 100.3(4) . . . . ?
B17A B13A B18A B14A 137.6(4) . . . . ?
C5A B13A B18A B17A -99.8(5) . . . . ?
B12A B13A B18A B17A -37.3(4) . . . . ?
B14A B13A B18A B17A -137.6(4) . . . . ?
B16A B17A B18A B20A -39.1(3) . . . . ?
B13A B17A B18A B20A -140.7(3) . . . . ?
B12A B17A B18A B20A -103.6(5) . . . . ?
B16A B17A B18A B19A 0.5(4) . . . . ?
B20A B17A B18A B19A 39.6(3) . . . . ?
B13A B17A B18A B19A -101.0(3) . . . . ?
B12A B17A B18A B19A -63.9(5) . . . . ?
B16A B17A B18A B14A 63.5(5) . . . . ?
B20A B17A B18A B14A 102.6(4) . . . . ?
B13A B17A B18A B14A -38.0(3) . . . . ?
B12A B17A B18A B14A -0.9(6) . . . . ?
B16A B17A B18A B13A 101.6(3) . . . . ?
B20A B17A B18A B13A 140.7(3) . . . . ?
B12A B17A B18A B13A 37.1(4) . . . . ?
B11A B15A B19A C6A -33.5(3) . . . . ?
B16A B15A B19A C6A -97.2(3) . . . . ?
B20A B15A B19A C6A -134.2(3) . . . . ?
C6A B15A B19A B20A 134.2(3) . . . . ?
B11A B15A B19A B20A 100.8(4) . . . . ?
B16A B15A B19A B20A 37.0(3) . . . . ?
C6A B15A B19A B18A 96.9(3) . . . . ?
B11A B15A B19A B18A 63.4(4) . . . . ?
B16A B15A B19A B18A -0.3(4) . . . . ?
B20A B15A B19A B18A -37.3(3) . . . . ?
C6A B15A B19A B14A 32.5(4) . . . . ?
B11A B15A B19A B14A -1.0(5) . . . . ?
B16A B15A B19A B14A -64.7(5) . . . . ?
B20A B15A B19A B14A -101.7(4) . . . . ?
B11A C6A B19A B15A 37.6(4) . . . . ?
C5A C6A B19A B15A 105.4(4) . . . . ?
B14A C6A B19A B15A 143.7(4) . . . . ?
B11A C6A B19A B20A -4.4(5) . . . . ?
C5A C6A B19A B20A 63.4(5) . . . . ?
B15A C6A B19A B20A -41.9(3) . . . . ?
B14A C6A B19A B20A 101.8(4) . . . . ?
B11A C6A B19A B18A -66.3(5) . . . . ?
C5A C6A B19A B18A 1.5(5) . . . . ?
B15A C6A B19A B18A -103.9(4) . . . . ?
B14A C6A B19A B18A 39.9(4) . . . . ?
B11A C6A B19A B14A -106.2(4) . . . . ?
C5A C6A B19A B14A -38.4(3) . . . . ?
B15A C6A B19A B14A -143.7(4) . . . . ?
B20A B18A B19A B15A 39.0(3) . . . . ?
B14A B18A B19A B15A -101.4(4) . . . . ?
B13A B18A B19A B15A -62.4(5) . . . . ?
B17A B18A B19A B15A -0.1(4) . . . . ?
B20A B18A B19A C6A 101.1(4) . . . . ?
B14A B18A B19A C6A -39.3(3) . . . . ?
B13A B18A B19A C6A -0.2(6) . . . . ?
B17A B18A B19A C6A 62.0(4) . . . . ?
B14A B18A B19A B20A -140.4(4) . . . . ?
B13A B18A B19A B20A -101.3(5) . . . . ?
B17A B18A B19A B20A -39.1(3) . . . . ?
B20A B18A B19A B14A 140.4(4) . . . . ?
B13A B18A B19A B14A 39.1(4) . . . . ?
B17A B18A B19A B14A 101.3(3) . . . . ?
C5A B14A B19A B15A 3.7(6) . . . . ?
C6A B14A B19A B15A -32.5(4) . . . . ?
B18A B14A B19A B15A 102.3(4) . . . . ?
B13A B14A B19A B15A 63.7(5) . . . . ?
C5A B14A B19A C6A 36.2(3) . . . . ?
B18A B14A B19A C6A 134.7(4) . . . . ?
B13A B14A B19A C6A 96.2(4) . . . . ?
C5A B14A B19A B20A -63.3(5) . . . . ?
C6A B14A B19A B20A -99.5(4) . . . . ?
B18A B14A B19A B20A 35.3(4) . . . . ?
B13A B14A B19A B20A -3.3(5) . . . . ?
C5A B14A B19A B18A -98.6(5) . . . . ?
C6A B14A B19A B18A -134.7(4) . . . . ?
B13A B14A B19A B18A -38.5(4) . . . . ?
B19A B18A B20A B17A -135.2(3) . . . . ?
B14A B18A B20A B17A -99.3(4) . . . . ?
B13A B18A B20A B17A -35.0(4) . . . . ?
B19A B18A B20A B16A -96.5(4) . . . . ?
B14A B18A B20A B16A -60.6(5) . . . . ?
B13A B18A B20A B16A 3.7(6) . . . . ?
B17A B18A B20A B16A 38.7(4) . . . . ?
B14A B18A B20A B19A 35.8(4) . . . . ?
B13A B18A B20A B19A 100.2(4) . . . . ?
B17A B18A B20A B19A 135.2(3) . . . . ?
B19A B18A B20A B15A -34.8(3) . . . . ?
B14A B18A B20A B15A 1.1(5) . . . . ?
B13A B18A B20A B15A 65.4(5) . . . . ?
B17A B18A B20A B15A 100.4(4) . . . . ?
B16A B17A B20A B18A 136.1(3) . . . . ?
B13A B17A B20A B18A 35.4(4) . . . . ?
B12A B17A B20A B18A 99.4(5) . . . . ?
B13A B17A B20A B16A -100.7(4) . . . . ?
B12A B17A B20A B16A -36.7(5) . . . . ?
B18A B17A B20A B16A -136.1(3) . . . . ?
B16A B17A B20A B19A 95.9(4) . . . . ?
B13A B17A B20A B19A -4.8(6) . . . . ?
B12A B17A B20A B19A 59.2(7) . . . . ?
B18A B17A B20A B19A -40.2(4) . . . . ?
B16A B17A B20A B15A 37.2(4) . . . . ?
B13A B17A B20A B15A -63.5(6) . . . . ?
B12A B17A B20A B15A 0.5(7) . . . . ?
B18A B17A B20A B15A -98.9(4) . . . . ?
B11A B16A B20A B18A 60.1(6) . . . . ?
B17A B16A B20A B18A -39.8(4) . . . . ?
B15A B16A B20A B18A 97.4(4) . . . . ?
B12A B16A B20A B18A -3.8(5) . . . . ?
B11A B16A B20A B17A 99.9(5) . . . . ?
B15A B16A B20A B17A 137.3(4) . . . . ?
B12A B16A B20A B17A 36.1(4) . . . . ?
B11A B16A B20A B19A -3.0(6) . . . . ?
B17A B16A B20A B19A -102.9(4) . . . . ?
B15A B16A B20A B19A 34.4(3) . . . . ?
B12A B16A B20A B19A -66.9(5) . . . . ?
B11A B16A B20A B15A -37.3(4) . . . . ?
B17A B16A B20A B15A -137.3(4) . . . . ?
B12A B16A B20A B15A -101.2(4) . . . . ?
B15A B19A B20A B18A -138.3(3) . . . . ?
C6A B19A B20A B18A -98.2(4) . . . . ?
B14A B19A B20A B18A -35.8(4) . . . . ?
B15A B19A B20A B17A -97.5(4) . . . . ?
C6A B19A B20A B17A -57.5(5) . . . . ?
B18A B19A B20A B17A 40.8(4) . . . . ?
B14A B19A B20A B17A 5.0(6) . . . . ?
B15A B19A B20A B16A -35.7(4) . . . . ?
C6A B19A B20A B16A 4.3(5) . . . . ?
B18A B19A B20A B16A 102.6(4) . . . . ?
B14A B19A B20A B16A 66.8(5) . . . . ?
C6A B19A B20A B15A 40.1(3) . . . . ?
B18A B19A B20A B15A 138.3(3) . . . . ?
B14A B19A B20A B15A 102.5(4) . . . . ?
B19A B15A B20A B18A 36.9(4) . . . . ?
C6A B15A B20A B18A -5.0(5) . . . . ?
B11A B15A B20A B18A -63.6(5) . . . . ?
B16A B15A B20A B18A -101.7(4) . . . . ?
B19A B15A B20A B17A 101.2(5) . . . . ?
C6A B15A B20A B17A 59.4(6) . . . . ?
B11A B15A B20A B17A 0.7(6) . . . . ?
B16A B15A B20A B17A -37.4(4) . . . . ?
B19A B15A B20A B16A 138.6(4) . . . . ?
C6A B15A B20A B16A 96.8(4) . . . . ?
B11A B15A B20A B16A 38.1(4) . . . . ?
C6A B15A B20A B19A -41.8(3) . . . . ?
B11A B15A B20A B19A -100.5(4) . . . . ?
B16A B15A B20A B19A -138.6(4) . . . . ?
O1A C1A O2A Cu1A 52.3(10) . . . 2 ?
C2A C1A O2A Cu1A -128.8(8) . . . 2 ?

_refine_diff_density_max         0.798
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.067

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_1503llb
_database_code_depnum_ccdc_archive 'CCDC 1034196'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H40 B20 Cu N2 O4'
_chemical_formula_sum            'C20 H40 B20 Cu N2 O4'
_chemical_formula_weight         652.28

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.1845(19)
_cell_length_b                   10.920(3)
_cell_length_c                   12.489(3)
_cell_angle_alpha                70.332(4)
_cell_angle_beta                 83.340(4)
_cell_angle_gamma                71.536(4)
_cell_volume                     875.1(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4076
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      25.08

_exptl_crystal_description       prism
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_F_000             335
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    0.655
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.889805
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   'SADABS v2.10 BRUKER 2001'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13936
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.239
_diffrn_reflns_theta_max         28.359
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             4270
_reflns_number_gt                3396
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_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)+(0.0617P)²+0.0074P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4270
_refine_ls_number_parameters     260
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.1131
_refine_ls_wR_factor_gt          0.1084
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 1.0000 0.5000 0.0000 0.04060(13) Uani 1 2 d S . P . .
O1 O 0.8846(2) 0.62784(14) 0.08341(12) 0.0504(3) Uani 1 1 d . . . . .
N1 N 0.9849(2) 0.65222(16) -0.14985(13) 0.0424(4) Uani 1 1 d . . . . .
C1 C 0.7079(3) 0.6370(2) 0.11255(16) 0.0464(5) Uani 1 1 d . . . . .
B1 B 0.5805(4) 0.6137(3) 0.3314(2) 0.0548(6) Uani 1 1 d . . . . .
C2 C 0.6328(3) 0.71368(19) 0.19890(16) 0.0420(4) Uani 1 1 d . . . . .
O2 O 0.5983(2) 0.58932(19) 0.08202(15) 0.0678(5) Uani 1 1 d . . . . .
B2 B 0.7684(4) 0.6943(3) 0.3087(2) 0.0538(6) Uani 1 1 d . . . . .
B3 B 0.6958(4) 0.8514(3) 0.1978(2) 0.0520(6) Uani 1 1 d . . . . .
C3 C 0.4029(3) 0.7297(2) 0.23810(19) 0.0520(5) Uani 1 1 d . . . . .
C4 C 1.1084(3) 0.7306(2) -0.17374(18) 0.0488(5) Uani 1 1 d . . . . .
B4 B 0.4620(4) 0.8717(2) 0.1501(2) 0.0553(6) Uani 1 1 d . . . . .
B5 B 0.3673(5) 0.7197(3) 0.3754(3) 0.0708(9) Uani 1 1 d . . . . .
C5 C 1.1333(4) 0.8087(2) -0.2840(2) 0.0628(6) Uani 1 1 d . . . . .
H5A H 1.2223 0.8587 -0.2998 0.075 Uiso 1 1 calc R U . . .
B6 B 0.5989(6) 0.6999(3) 0.4227(2) 0.0687(8) Uani 1 1 d . . . . .
C6 C 1.0280(4) 0.8129(3) -0.3697(2) 0.0687(7) Uani 1 1 d . . . . .
H6A H 1.0462 0.8640 -0.4444 0.082 Uiso 1 1 calc R U . . .
C7 C 0.8937(4) 0.7400(3) -0.3440(2) 0.0648(6) Uani 1 1 d . . . . .
H7A H 0.8169 0.7444 -0.4010 0.078 Uiso 1 1 calc R U . . .
B7 B 0.6713(5) 0.8474(3) 0.3414(2) 0.0641(7) Uani 1 1 d . . . . .
C8 C 0.8741(3) 0.6608(2) -0.23366(17) 0.0481(5) Uani 1 1 d . . . . .
B8 B 0.4813(5) 0.9567(3) 0.2421(3) 0.0662(8) Uani 1 1 d . . . . .
C9 C 1.2162(4) 0.7278(3) -0.0769(2) 0.0651(6) Uani 1 1 d . . . . .
H9A H 1.1240 0.7505 -0.0194 0.098 Uiso 1 1 calc R U . . .
H9B H 1.2889 0.7927 -0.1039 0.098 Uiso 1 1 calc R U . . .
H9C H 1.3051 0.6383 -0.0453 0.098 Uiso 1 1 calc R U . . .
B9 B 0.2945(5) 0.8774(3) 0.2648(3) 0.0735(8) Uani 1 1 d . . . . .
C10 C 0.7307(3) 0.5794(3) -0.2027(2) 0.0622(6) Uani 1 1 d . . . . .
H10A H 0.6662 0.5860 -0.1322 0.093 Uiso 1 1 calc R U . . .
H10B H 0.7994 0.4858 -0.1946 0.093 Uiso 1 1 calc R U . . .
H10C H 0.6348 0.6145 -0.2615 0.093 Uiso 1 1 calc R U . . .
B10 B 0.4233(5) 0.8644(3) 0.3824(3) 0.0762(10) Uani 1 1 d . . . . .
H3 H 0.811(4) 0.881(3) 0.139(2) 0.080(8) Uiso 1 1 d . . . . .
H4 H 0.420(3) 0.908(2) 0.0626(19) 0.053(6) Uiso 1 1 d . . . . .
H1 H 0.604(3) 0.506(2) 0.3482(18) 0.055(6) Uiso 1 1 d . . . . .
H2 H 0.894(4) 0.637(3) 0.313(2) 0.064(7) Uiso 1 1 d . . . . .
H3A H 0.333(3) 0.694(2) 0.2044(18) 0.049(6) Uiso 1 1 d . . . . .
H5 H 0.266(4) 0.676(3) 0.424(2) 0.089(9) Uiso 1 1 d . . . . .
H9 H 0.149(4) 0.927(3) 0.240(2) 0.079(8) Uiso 1 1 d . . . . .
H7 H 0.755(4) 0.890(2) 0.3706(19) 0.064(7) Uiso 1 1 d . . . . .
H8 H 0.447(4) 1.064(3) 0.214(2) 0.083(8) Uiso 1 1 d . . . . .
H6 H 0.650(4) 0.640(3) 0.510(2) 0.082(8) Uiso 1 1 d . . . . .
H10 H 0.345(4) 0.916(3) 0.436(2) 0.092(9) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O1 1.9408(14) 2_765 ?
Cu1 O1 1.9409(14) . ?
Cu1 N1 2.0288(16) 2_765 ?
Cu1 N1 2.0288(16) . ?
O1 C1 1.262(2) . ?
N1 C8 1.349(3) . ?
N1 C4 1.362(2) . ?
C1 O2 1.224(2) . ?
C1 C2 1.531(3) . ?
B1 C3 1.708(4) . ?
B1 C2 1.724(3) . ?
B1 B6 1.743(4) . ?
B1 B5 1.759(4) . ?
B1 B2 1.781(4) . ?
B1 H1 1.08(2) . ?
C2 C3 1.639(3) . ?
C2 B2 1.690(3) . ?
C2 B3 1.698(3) . ?
C2 B4 1.726(3) . ?
B2 B7 1.762(4) . ?
B2 B6 1.768(4) . ?
B2 B3 1.770(4) . ?
B2 H2 0.92(3) . ?
B3 B8 1.764(4) . ?
B3 B7 1.769(4) . ?
B3 B4 1.770(4) . ?
B3 H3 1.09(3) . ?
C3 B5 1.675(4) . ?
C3 B9 1.681(4) . ?
C3 B4 1.719(3) . ?
C3 H3A 0.93(2) . ?
C4 C5 1.381(3) . ?
C4 C9 1.497(3) . ?
B4 B8 1.742(4) . ?
B4 B9 1.765(4) . ?
B4 H4 1.07(2) . ?
B5 B6 1.754(5) . ?
B5 B9 1.773(5) . ?
B5 B10 1.781(4) . ?
B5 H5 1.03(3) . ?
C5 C6 1.361(4) . ?
C5 H5A 0.9300 . ?
B6 B10 1.782(5) . ?
B6 B7 1.791(4) . ?
B6 H6 1.11(3) . ?
C6 C7 1.382(4) . ?
C6 H6A 0.9300 . ?
C7 C8 1.377(3) . ?
C7 H7A 0.9300 . ?
B7 B10 1.765(4) . ?
B7 B8 1.786(5) . ?
B7 H7 1.02(2) . ?
C8 C10 1.503(3) . ?
B8 B9 1.765(4) . ?
B8 B10 1.780(4) . ?
B8 H8 1.06(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
B9 B10 1.767(5) . ?
B9 H9 1.04(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
B10 H10 1.02(3) . ?

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 Cu1 O1 180.0 2_765 . ?
O1 Cu1 N1 92.23(6) 2_765 2_765 ?
O1 Cu1 N1 87.77(7) . 2_765 ?
O1 Cu1 N1 87.77(7) 2_765 . ?
O1 Cu1 N1 92.23(7) . . ?
N1 Cu1 N1 180.0 2_765 . ?
C1 O1 Cu1 114.13(13) . . ?
C8 N1 C4 119.12(17) . . ?
C8 N1 Cu1 118.85(13) . . ?
C4 N1 Cu1 121.11(14) . . ?
O2 C1 O1 127.48(19) . . ?
O2 C1 C2 119.19(18) . . ?
O1 C1 C2 113.30(17) . . ?
C3 B1 C2 57.05(12) . . ?
C3 B1 B6 103.7(2) . . ?
C2 B1 B6 104.15(17) . . ?
C3 B1 B5 57.76(17) . . ?
C2 B1 B5 104.09(19) . . ?
B6 B1 B5 60.11(19) . . ?
C3 B1 B2 103.27(17) . . ?
C2 B1 B2 57.64(13) . . ?
B6 B1 B2 60.22(16) . . ?
B5 B1 B2 107.65(19) . . ?
C3 B1 H1 119.4(12) . . ?
C2 B1 H1 120.3(11) . . ?
B6 B1 H1 129.6(11) . . ?
B5 B1 H1 122.8(12) . . ?
B2 B1 H1 125.6(12) . . ?
C1 C2 C3 115.02(16) . . ?
C1 C2 B2 123.18(17) . . ?
C3 C2 B2 110.55(17) . . ?
C1 C2 B3 124.29(16) . . ?
C3 C2 B3 110.58(16) . . ?
B2 C2 B3 63.00(15) . . ?
C1 C2 B1 114.15(16) . . ?
C3 C2 B1 60.99(14) . . ?
B2 C2 B1 62.89(15) . . ?
B3 C2 B1 115.06(16) . . ?
C1 C2 B4 116.28(17) . . ?
C3 C2 B4 61.37(13) . . ?
B2 C2 B4 114.41(18) . . ?
B3 C2 B4 62.25(15) . . ?
B1 C2 B4 114.52(17) . . ?
C2 B2 B7 104.9(2) . . ?
C2 B2 B6 104.5(2) . . ?
B7 B2 B6 60.95(16) . . ?
C2 B2 B3 58.71(14) . . ?
B7 B2 B3 60.09(15) . . ?
B6 B2 B3 108.6(2) . . ?
C2 B2 B1 59.47(13) . . ?
B7 B2 B1 108.2(2) . . ?
B6 B2 B1 58.83(15) . . ?
B3 B2 B1 108.73(19) . . ?
C2 B2 H2 116.8(15) . . ?
B7 B2 H2 130.4(15) . . ?
B6 B2 H2 126.1(15) . . ?
B3 B2 H2 121.6(15) . . ?
B1 B2 H2 115.4(16) . . ?
C2 B3 B8 104.72(18) . . ?
C2 B3 B7 104.33(17) . . ?
B8 B3 B7 60.75(18) . . ?
C2 B3 B2 58.30(13) . . ?
B8 B3 B2 108.33(19) . . ?
B7 B3 B2 59.74(15) . . ?
C2 B3 B4 59.67(13) . . ?
B8 B3 B4 59.06(17) . . ?
B7 B3 B4 107.95(19) . . ?
B2 B3 B4 108.43(17) . . ?
C2 B3 H3 119.2(14) . . ?
B8 B3 H3 128.4(14) . . ?
B7 B3 H3 125.0(14) . . ?
B2 B3 H3 117.0(14) . . ?
B4 B3 H3 122.1(14) . . ?
C2 C3 B5 111.9(2) . . ?
C2 C3 B9 111.77(18) . . ?
B5 C3 B9 63.77(19) . . ?
C2 C3 B1 61.96(13) . . ?
B5 C3 B1 62.66(17) . . ?
B9 C3 B1 115.8(2) . . ?
C2 C3 B4 61.83(13) . . ?
B5 C3 B4 115.70(19) . . ?
B9 C3 B4 62.52(16) . . ?
B1 C3 B4 115.74(18) . . ?
C2 C3 H3A 117.0(13) . . ?
B5 C3 H3A 120.8(13) . . ?
B9 C3 H3A 120.7(13) . . ?
B1 C3 H3A 115.8(13) . . ?
B4 C3 H3A 115.6(13) . . ?
N1 C4 C5 120.6(2) . . ?
N1 C4 C9 117.80(18) . . ?
C5 C4 C9 121.6(2) . . ?
C3 B4 C2 56.81(12) . . ?
C3 B4 B8 104.03(19) . . ?
C2 B4 B8 104.5(2) . . ?
C3 B4 B9 57.69(15) . . ?
C2 B4 B9 103.87(19) . . ?
B8 B4 B9 60.43(17) . . ?
C3 B4 B3 103.65(18) . . ?
C2 B4 B3 58.08(13) . . ?
B8 B4 B3 60.29(17) . . ?
B9 B4 B3 108.0(2) . . ?
C3 B4 H4 117.7(12) . . ?
C2 B4 H4 117.6(11) . . ?
B8 B4 H4 131.9(11) . . ?
B9 B4 H4 124.2(12) . . ?
B3 B4 H4 124.9(12) . . ?
C3 B5 B6 104.57(19) . . ?
C3 B5 B1 59.58(15) . . ?
B6 B5 B1 59.48(18) . . ?
C3 B5 B9 58.28(16) . . ?
B6 B5 B9 108.3(2) . . ?
B1 B5 B9 108.72(19) . . ?
C3 B5 B10 103.9(2) . . ?
B6 B5 B10 60.5(2) . . ?
B1 B5 B10 108.2(2) . . ?
B9 B5 B10 59.7(2) . . ?
C3 B5 H5 121.0(16) . . ?
B6 B5 H5 124.5(16) . . ?
B1 B5 H5 118.2(16) . . ?
B9 B5 H5 121.5(16) . . ?
B10 B5 H5 126.7(16) . . ?
C6 C5 C4 120.2(2) . . ?
C6 C5 H5A 119.9 . . ?
C4 C5 H5A 119.9 . . ?
B1 B6 B5 60.40(17) . . ?
B1 B6 B2 60.95(15) . . ?
B5 B6 B2 108.4(2) . . ?
B1 B6 B10 108.8(2) . . ?
B5 B6 B10 60.5(2) . . ?
B2 B6 B10 107.1(2) . . ?
B1 B6 B7 108.64(19) . . ?
B5 B6 B7 107.9(2) . . ?
B2 B6 B7 59.36(15) . . ?
B10 B6 B7 59.21(18) . . ?
B1 B6 H6 118.8(14) . . ?
B5 B6 H6 123.1(14) . . ?
B2 B6 H6 119.0(14) . . ?
B10 B6 H6 124.9(13) . . ?
B7 B6 H6 122.1(14) . . ?
C5 C6 C7 118.9(2) . . ?
C5 C6 H6A 120.5 . . ?
C7 C6 H6A 120.5 . . ?
C8 C7 C6 119.7(2) . . ?
C8 C7 H7A 120.1 . . ?
C6 C7 H7A 120.1 . . ?
B2 B7 B10 108.09(19) . . ?
B2 B7 B3 60.17(15) . . ?
B10 B7 B3 107.9(2) . . ?
B2 B7 B8 107.7(2) . . ?
B10 B7 B8 60.16(19) . . ?
B3 B7 B8 59.49(16) . . ?
B2 B7 B6 59.69(16) . . ?
B10 B7 B6 60.16(18) . . ?
B3 B7 B6 107.72(19) . . ?
B8 B7 B6 107.8(2) . . ?
B2 B7 H7 123.4(13) . . ?
B10 B7 H7 122.0(13) . . ?
B3 B7 H7 119.3(13) . . ?
B8 B7 H7 118.7(13) . . ?
B6 B7 H7 125.5(13) . . ?
N1 C8 C7 121.1(2) . . ?
N1 C8 C10 117.65(18) . . ?
C7 C8 C10 121.2(2) . . ?
B4 B8 B3 60.65(15) . . ?
B4 B8 B9 60.43(17) . . ?
B3 B8 B9 108.26(19) . . ?
B4 B8 B10 108.46(19) . . ?
B3 B8 B10 107.5(2) . . ?
B9 B8 B10 59.82(19) . . ?
B4 B8 B7 108.42(19) . . ?
B3 B8 B7 59.75(16) . . ?
B9 B8 B7 107.3(2) . . ?
B10 B8 B7 59.32(18) . . ?
B4 B8 H8 120.4(15) . . ?
B3 B8 H8 122.4(15) . . ?
B9 B8 H8 120.7(15) . . ?
B10 B8 H8 121.9(15) . . ?
B7 B8 H8 123.2(15) . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C3 B9 B8 104.6(2) . . ?
C3 B9 B4 59.79(14) . . ?
B8 B9 B4 59.14(17) . . ?
C3 B9 B10 104.3(2) . . ?
B8 B9 B10 60.52(19) . . ?
B4 B9 B10 108.0(2) . . ?
C3 B9 B5 57.96(16) . . ?
B8 B9 B5 108.7(3) . . ?
B4 B9 B5 108.7(2) . . ?
B10 B9 B5 60.39(19) . . ?
C3 B9 H9 116.7(15) . . ?
B8 B9 H9 125.3(15) . . ?
B4 B9 H9 113.6(15) . . ?
B10 B9 H9 132.0(15) . . ?
B5 B9 H9 122.9(15) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
B7 B10 B9 108.1(2) . . ?
B7 B10 B8 60.52(17) . . ?
B9 B10 B8 59.66(19) . . ?
B7 B10 B5 107.8(2) . . ?
B9 B10 B5 59.96(19) . . ?
B8 B10 B5 107.7(2) . . ?
B7 B10 B6 60.63(18) . . ?
B9 B10 B6 107.3(2) . . ?
B8 B10 B6 108.5(2) . . ?
B5 B10 B6 59.00(19) . . ?
B7 B10 H10 126.3(17) . . ?
B9 B10 H10 116.0(17) . . ?
B8 B10 H10 119.8(17) . . ?
B5 B10 H10 119.8(17) . . ?
B6 B10 H10 126.4(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
Cu1 O1 C1 O2 -10.2(3) . . . . ?
Cu1 O1 C1 C2 167.70(12) . . . . ?
O2 C1 C2 C3 -2.6(3) . . . . ?
O1 C1 C2 C3 179.29(17) . . . . ?
O2 C1 C2 B2 137.6(2) . . . . ?
O1 C1 C2 B2 -40.5(3) . . . . ?
O2 C1 C2 B3 -144.6(2) . . . . ?
O1 C1 C2 B3 37.3(3) . . . . ?
O2 C1 C2 B1 65.2(3) . . . . ?
O1 C1 C2 B1 -112.9(2) . . . . ?
O2 C1 C2 B4 -71.5(2) . . . . ?
O1 C1 C2 B4 110.3(2) . . . . ?
C3 B1 C2 C1 -106.34(18) . . . . ?
B6 B1 C2 C1 156.4(2) . . . . ?
B5 B1 C2 C1 -141.44(19) . . . . ?
B2 B1 C2 C1 116.38(19) . . . . ?
B6 B1 C2 C3 -97.3(2) . . . . ?
B5 B1 C2 C3 -35.10(18) . . . . ?
B2 B1 C2 C3 -137.28(19) . . . . ?
C3 B1 C2 B2 137.28(19) . . . . ?
B6 B1 C2 B2 40.0(2) . . . . ?
B5 B1 C2 B2 102.2(2) . . . . ?
C3 B1 C2 B3 100.64(19) . . . . ?
B6 B1 C2 B3 3.3(3) . . . . ?
B5 B1 C2 B3 65.5(2) . . . . ?
B2 B1 C2 B3 -36.65(19) . . . . ?
C3 B1 C2 B4 31.22(18) . . . . ?
B6 B1 C2 B4 -66.1(3) . . . . ?
B5 B1 C2 B4 -3.9(2) . . . . ?
B2 B1 C2 B4 -106.1(2) . . . . ?
C1 C2 B2 B7 155.00(18) . . . . ?
C3 C2 B2 B7 -63.3(2) . . . . ?
B3 C2 B2 B7 40.02(16) . . . . ?
B1 C2 B2 B7 -102.6(2) . . . . ?
B4 C2 B2 B7 3.6(2) . . . . ?
C1 C2 B2 B6 -141.76(19) . . . . ?
C3 C2 B2 B6 -0.1(2) . . . . ?
B3 C2 B2 B6 103.3(2) . . . . ?
B1 C2 B2 B6 -39.38(18) . . . . ?
B4 C2 B2 B6 66.9(2) . . . . ?
C1 C2 B2 B3 115.0(2) . . . . ?
C3 C2 B2 B3 -103.32(18) . . . . ?
B1 C2 B2 B3 -142.64(18) . . . . ?
B4 C2 B2 B3 -36.39(18) . . . . ?
C1 C2 B2 B1 -102.4(2) . . . . ?
C3 C2 B2 B1 39.32(17) . . . . ?
B3 C2 B2 B1 142.64(18) . . . . ?
B4 C2 B2 B1 106.24(19) . . . . ?
C3 B1 B2 C2 -35.80(15) . . . . ?
B6 B1 B2 C2 -134.1(2) . . . . ?
B5 B1 B2 C2 -95.8(2) . . . . ?
C3 B1 B2 B7 61.1(2) . . . . ?
C2 B1 B2 B7 96.9(2) . . . . ?
B6 B1 B2 B7 -37.2(2) . . . . ?
B5 B1 B2 B7 1.1(3) . . . . ?
C3 B1 B2 B6 98.3(2) . . . . ?
C2 B1 B2 B6 134.1(2) . . . . ?
B5 B1 B2 B6 38.3(2) . . . . ?
C3 B1 B2 B3 -2.6(2) . . . . ?
C2 B1 B2 B3 33.20(16) . . . . ?
B6 B1 B2 B3 -100.9(2) . . . . ?
B5 B1 B2 B3 -62.6(2) . . . . ?
C1 C2 B3 B8 144.0(2) . . . . ?
C3 C2 B3 B8 0.6(2) . . . . ?
B2 C2 B3 B8 -102.7(2) . . . . ?
B1 C2 B3 B8 -66.1(2) . . . . ?
B4 C2 B3 B8 39.67(19) . . . . ?
C1 C2 B3 B7 -153.1(2) . . . . ?
C3 C2 B3 B7 63.5(2) . . . . ?
B2 C2 B3 B7 -39.72(19) . . . . ?
B1 C2 B3 B7 -3.1(3) . . . . ?
B4 C2 B3 B7 102.7(2) . . . . ?
C1 C2 B3 B2 -113.3(2) . . . . ?
C3 C2 B3 B2 103.27(19) . . . . ?
B1 C2 B3 B2 36.61(19) . . . . ?
B4 C2 B3 B2 142.37(18) . . . . ?
C1 C2 B3 B4 104.3(2) . . . . ?
C3 C2 B3 B4 -39.11(17) . . . . ?
B2 C2 B3 B4 -142.37(18) . . . . ?
B1 C2 B3 B4 -105.8(2) . . . . ?
B7 B2 B3 C2 -134.20(19) . . . . ?
B6 B2 B3 C2 -96.0(2) . . . . ?
B1 B2 B3 C2 -33.50(15) . . . . ?
C2 B2 B3 B8 96.3(2) . . . . ?
B7 B2 B3 B8 -37.9(2) . . . . ?
B6 B2 B3 B8 0.4(3) . . . . ?
B1 B2 B3 B8 62.8(2) . . . . ?
C2 B2 B3 B7 134.20(19) . . . . ?
B6 B2 B3 B7 38.25(19) . . . . ?
B1 B2 B3 B7 100.7(2) . . . . ?
C2 B2 B3 B4 33.74(16) . . . . ?
B7 B2 B3 B4 -100.5(2) . . . . ?
B6 B2 B3 B4 -62.2(2) . . . . ?
B1 B2 B3 B4 0.2(2) . . . . ?
C1 C2 C3 B5 144.09(19) . . . . ?
B2 C2 C3 B5 -1.0(2) . . . . ?
B3 C2 C3 B5 -68.8(2) . . . . ?
B1 C2 C3 B5 39.16(18) . . . . ?
B4 C2 C3 B5 -108.3(2) . . . . ?
C1 C2 C3 B9 -146.5(2) . . . . ?
B2 C2 C3 B9 68.4(2) . . . . ?
B3 C2 C3 B9 0.5(3) . . . . ?
B1 C2 C3 B9 108.5(2) . . . . ?
B4 C2 C3 B9 -39.0(2) . . . . ?
C1 C2 C3 B1 104.93(18) . . . . ?
B2 C2 C3 B1 -40.16(17) . . . . ?
B3 C2 C3 B1 -108.00(18) . . . . ?
B4 C2 C3 B1 -147.50(19) . . . . ?
C1 C2 C3 B4 -107.57(19) . . . . ?
B2 C2 C3 B4 107.34(19) . . . . ?
B3 C2 C3 B4 39.50(18) . . . . ?
B1 C2 C3 B4 147.50(19) . . . . ?
B6 B1 C3 C2 98.18(18) . . . . ?
B5 B1 C3 C2 138.74(18) . . . . ?
B2 B1 C3 C2 36.07(15) . . . . ?
C2 B1 C3 B5 -138.74(18) . . . . ?
B6 B1 C3 B5 -40.57(18) . . . . ?
B2 B1 C3 B5 -102.68(19) . . . . ?
C2 B1 C3 B9 -102.1(2) . . . . ?
B6 B1 C3 B9 -3.9(3) . . . . ?
B5 B1 C3 B9 36.7(2) . . . . ?
B2 B1 C3 B9 -66.0(2) . . . . ?
C2 B1 C3 B4 -31.72(17) . . . . ?
B6 B1 C3 B4 66.5(2) . . . . ?
B5 B1 C3 B4 107.0(2) . . . . ?
B2 B1 C3 B4 4.3(2) . . . . ?
C8 N1 C4 C5 -5.7(3) . . . . ?
Cu1 N1 C4 C5 163.16(16) . . . . ?
C8 N1 C4 C9 174.76(19) . . . . ?
Cu1 N1 C4 C9 -16.3(2) . . . . ?
B5 C3 B4 C2 102.3(2) . . . . ?
B9 C3 B4 C2 138.8(2) . . . . ?
B1 C3 B4 C2 31.76(17) . . . . ?
C2 C3 B4 B8 -98.3(2) . . . . ?
B5 C3 B4 B8 4.0(3) . . . . ?
B9 C3 B4 B8 40.5(2) . . . . ?
B1 C3 B4 B8 -66.5(2) . . . . ?
C2 C3 B4 B9 -138.8(2) . . . . ?
B5 C3 B4 B9 -36.6(2) . . . . ?
B1 C3 B4 B9 -107.1(2) . . . . ?
C2 C3 B4 B3 -35.99(15) . . . . ?
B5 C3 B4 B3 66.3(2) . . . . ?
B9 C3 B4 B3 102.8(2) . . . . ?
B1 C3 B4 B3 -4.2(2) . . . . ?
C1 C2 B4 C3 105.53(19) . . . . ?
B2 C2 B4 C3 -101.04(19) . . . . ?
B3 C2 B4 C3 -137.71(18) . . . . ?
B1 C2 B4 C3 -31.10(18) . . . . ?
C1 C2 B4 B8 -156.97(17) . . . . ?
C3 C2 B4 B8 97.50(19) . . . . ?
B2 C2 B4 B8 -3.5(2) . . . . ?
B3 C2 B4 B8 -40.22(17) . . . . ?
B1 C2 B4 B8 66.4(2) . . . . ?
C1 C2 B4 B9 140.5(2) . . . . ?
C3 C2 B4 B9 34.97(18) . . . . ?
B2 C2 B4 B9 -66.1(2) . . . . ?
B3 C2 B4 B9 -102.7(2) . . . . ?
B1 C2 B4 B9 3.9(3) . . . . ?
C1 C2 B4 B3 -116.75(19) . . . . ?
C3 C2 B4 B3 137.71(18) . . . . ?
B2 C2 B4 B3 36.68(17) . . . . ?
B1 C2 B4 B3 106.62(18) . . . . ?
C2 B3 B4 C3 35.41(14) . . . . ?
B8 B3 B4 C3 -98.5(2) . . . . ?
B7 B3 B4 C3 -61.0(2) . . . . ?
B2 B3 B4 C3 2.2(2) . . . . ?
B8 B3 B4 C2 -133.95(19) . . . . ?
B7 B3 B4 C2 -96.42(19) . . . . ?
B2 B3 B4 C2 -33.19(16) . . . . ?
C2 B3 B4 B8 133.95(19) . . . . ?
B7 B3 B4 B8 37.53(19) . . . . ?
B2 B3 B4 B8 100.8(2) . . . . ?
C2 B3 B4 B9 95.44(19) . . . . ?
B8 B3 B4 B9 -38.51(19) . . . . ?
B7 B3 B4 B9 -1.0(2) . . . . ?
B2 B3 B4 B9 62.2(2) . . . . ?
C2 C3 B5 B6 1.6(3) . . . . ?
B9 C3 B5 B6 -102.7(2) . . . . ?
B1 C3 B5 B6 40.45(19) . . . . ?
B4 C3 B5 B6 -66.6(3) . . . . ?
C2 C3 B5 B1 -38.86(17) . . . . ?
B9 C3 B5 B1 -143.2(2) . . . . ?
B4 C3 B5 B1 -107.1(2) . . . . ?
C2 C3 B5 B9 104.3(2) . . . . ?
B1 C3 B5 B9 143.2(2) . . . . ?
B4 C3 B5 B9 36.1(2) . . . . ?
C2 C3 B5 B10 64.3(3) . . . . ?
B9 C3 B5 B10 -40.0(2) . . . . ?
B1 C3 B5 B10 103.1(2) . . . . ?
B4 C3 B5 B10 -4.0(3) . . . . ?
C2 B1 B5 C3 34.79(16) . . . . ?
B6 B1 B5 C3 133.2(2) . . . . ?
B2 B1 B5 C3 94.83(19) . . . . ?
C3 B1 B5 B6 -133.2(2) . . . . ?
C2 B1 B5 B6 -98.42(19) . . . . ?
B2 B1 B5 B6 -38.38(19) . . . . ?
C3 B1 B5 B9 -32.6(2) . . . . ?
C2 B1 B5 B9 2.2(3) . . . . ?
B6 B1 B5 B9 100.6(2) . . . . ?
B2 B1 B5 B9 62.3(3) . . . . ?
C3 B1 B5 B10 -95.8(2) . . . . ?
C2 B1 B5 B10 -61.0(3) . . . . ?
B6 B1 B5 B10 37.4(2) . . . . ?
B2 B1 B5 B10 -1.0(3) . . . . ?
N1 C4 C5 C6 2.8(3) . . . . ?
C9 C4 C5 C6 -177.7(2) . . . . ?
C3 B1 B6 B5 39.38(17) . . . . ?
C2 B1 B6 B5 98.3(2) . . . . ?
B2 B1 B6 B5 137.0(2) . . . . ?
C3 B1 B6 B2 -97.65(19) . . . . ?
C2 B1 B6 B2 -38.71(18) . . . . ?
B5 B1 B6 B2 -137.0(2) . . . . ?
C3 B1 B6 B10 1.9(2) . . . . ?
C2 B1 B6 B10 60.8(3) . . . . ?
B5 B1 B6 B10 -37.5(2) . . . . ?
B2 B1 B6 B10 99.5(2) . . . . ?
C3 B1 B6 B7 -61.0(3) . . . . ?
C2 B1 B6 B7 -2.1(3) . . . . ?
B5 B1 B6 B7 -100.4(3) . . . . ?
B2 B1 B6 B7 36.6(2) . . . . ?
C3 B5 B6 B1 -40.49(17) . . . . ?
B9 B5 B6 B1 -101.4(2) . . . . ?
B10 B5 B6 B1 -138.5(2) . . . . ?
C3 B5 B6 B2 -1.6(3) . . . . ?
B1 B5 B6 B2 38.92(19) . . . . ?
B9 B5 B6 B2 -62.5(3) . . . . ?
B10 B5 B6 B2 -99.6(2) . . . . ?
C3 B5 B6 B10 98.0(2) . . . . ?
B1 B5 B6 B10 138.5(2) . . . . ?
B9 B5 B6 B10 37.10(19) . . . . ?
C3 B5 B6 B7 61.2(2) . . . . ?
B1 B5 B6 B7 101.7(2) . . . . ?
B9 B5 B6 B7 0.3(3) . . . . ?
B10 B5 B6 B7 -36.77(19) . . . . ?
C2 B2 B6 B1 39.70(18) . . . . ?
B7 B2 B6 B1 138.9(2) . . . . ?
B3 B2 B6 B1 101.1(2) . . . . ?
C2 B2 B6 B5 1.0(3) . . . . ?
B7 B2 B6 B5 100.3(2) . . . . ?
B3 B2 B6 B5 62.4(2) . . . . ?
B1 B2 B6 B5 -38.7(2) . . . . ?
C2 B2 B6 B10 -62.8(2) . . . . ?
B7 B2 B6 B10 36.5(2) . . . . ?
B3 B2 B6 B10 -1.4(3) . . . . ?
B1 B2 B6 B10 -102.5(2) . . . . ?
C2 B2 B6 B7 -99.2(2) . . . . ?
B3 B2 B6 B7 -37.9(2) . . . . ?
B1 B2 B6 B7 -138.9(2) . . . . ?
C4 C5 C6 C7 1.3(4) . . . . ?
C5 C6 C7 C8 -2.5(4) . . . . ?
C2 B2 B7 B10 61.4(2) . . . . ?
B6 B2 B7 B10 -37.1(2) . . . . ?
B3 B2 B7 B10 100.7(2) . . . . ?
B1 B2 B7 B10 -0.9(3) . . . . ?
C2 B2 B7 B3 -39.34(16) . . . . ?
B6 B2 B7 B3 -137.9(2) . . . . ?
B1 B2 B7 B3 -101.6(2) . . . . ?
C2 B2 B7 B8 -2.2(2) . . . . ?
B6 B2 B7 B8 -100.7(2) . . . . ?
B3 B2 B7 B8 37.17(18) . . . . ?
B1 B2 B7 B8 -64.4(2) . . . . ?
C2 B2 B7 B6 98.5(2) . . . . ?
B3 B2 B7 B6 137.9(2) . . . . ?
B1 B2 B7 B6 36.3(2) . . . . ?
C2 B3 B7 B2 39.01(17) . . . . ?
B8 B3 B7 B2 138.1(2) . . . . ?
B4 B3 B7 B2 101.29(19) . . . . ?
C2 B3 B7 B10 -62.0(2) . . . . ?
B8 B3 B7 B10 37.09(19) . . . . ?
B2 B3 B7 B10 -101.0(2) . . . . ?
B4 B3 B7 B10 0.3(3) . . . . ?
C2 B3 B7 B8 -99.1(2) . . . . ?
B2 B3 B7 B8 -138.1(2) . . . . ?
B4 B3 B7 B8 -36.79(18) . . . . ?
C2 B3 B7 B6 1.6(3) . . . . ?
B8 B3 B7 B6 100.6(2) . . . . ?
B2 B3 B7 B6 -37.5(2) . . . . ?
B4 B3 B7 B6 63.8(3) . . . . ?
B1 B6 B7 B2 -37.3(2) . . . . ?
B5 B6 B7 B2 -101.3(2) . . . . ?
B10 B6 B7 B2 -138.6(2) . . . . ?
B1 B6 B7 B10 101.3(3) . . . . ?
B5 B6 B7 B10 37.3(2) . . . . ?
B2 B6 B7 B10 138.6(2) . . . . ?
B1 B6 B7 B3 0.4(3) . . . . ?
B5 B6 B7 B3 -63.6(3) . . . . ?
B2 B6 B7 B3 37.7(2) . . . . ?
B10 B6 B7 B3 -100.9(2) . . . . ?
B1 B6 B7 B8 63.2(3) . . . . ?
B5 B6 B7 B8 -0.8(3) . . . . ?
B2 B6 B7 B8 100.5(2) . . . . ?
B10 B6 B7 B8 -38.12(19) . . . . ?
C4 N1 C8 C7 4.6(3) . . . . ?
Cu1 N1 C8 C7 -164.59(17) . . . . ?
C4 N1 C8 C10 -176.33(18) . . . . ?
Cu1 N1 C8 C10 14.5(2) . . . . ?
C6 C7 C8 N1 -0.5(4) . . . . ?
C6 C7 C8 C10 -179.6(2) . . . . ?
C3 B4 B8 B3 97.90(19) . . . . ?
C2 B4 B8 B3 39.12(15) . . . . ?
B9 B4 B8 B3 137.1(2) . . . . ?
C3 B4 B8 B9 -39.2(2) . . . . ?
C2 B4 B8 B9 -98.0(2) . . . . ?
B3 B4 B8 B9 -137.1(2) . . . . ?
C3 B4 B8 B10 -2.2(3) . . . . ?
C2 B4 B8 B10 -61.0(3) . . . . ?
B9 B4 B8 B10 37.0(2) . . . . ?
B3 B4 B8 B10 -100.1(2) . . . . ?
C3 B4 B8 B7 60.7(2) . . . . ?
C2 B4 B8 B7 1.9(2) . . . . ?
B9 B4 B8 B7 99.9(2) . . . . ?
B3 B4 B8 B7 -37.21(18) . . . . ?
C2 B3 B8 B4 -39.97(17) . . . . ?
B7 B3 B8 B4 -138.38(19) . . . . ?
B2 B3 B8 B4 -100.94(19) . . . . ?
C2 B3 B8 B9 -1.4(3) . . . . ?
B7 B3 B8 B9 -99.8(2) . . . . ?
B2 B3 B8 B9 -62.4(3) . . . . ?
B4 B3 B8 B9 38.6(2) . . . . ?
C2 B3 B8 B10 61.8(3) . . . . ?
B7 B3 B8 B10 -36.61(19) . . . . ?
B2 B3 B8 B10 0.8(3) . . . . ?
B4 B3 B8 B10 101.8(2) . . . . ?
C2 B3 B8 B7 98.40(19) . . . . ?
B2 B3 B8 B7 37.44(18) . . . . ?
B4 B3 B8 B7 138.38(19) . . . . ?
B2 B7 B8 B4 0.1(3) . . . . ?
B10 B7 B8 B4 -101.0(2) . . . . ?
B3 B7 B8 B4 37.61(17) . . . . ?
B6 B7 B8 B4 -62.9(2) . . . . ?
B2 B7 B8 B3 -37.47(17) . . . . ?
B10 B7 B8 B3 -138.59(19) . . . . ?
B6 B7 B8 B3 -100.5(2) . . . . ?
B2 B7 B8 B9 64.0(2) . . . . ?
B10 B7 B8 B9 -37.16(19) . . . . ?
B3 B7 B8 B9 101.4(2) . . . . ?
B6 B7 B8 B9 1.0(3) . . . . ?
B2 B7 B8 B10 101.1(2) . . . . ?
B3 B7 B8 B10 138.59(19) . . . . ?
B6 B7 B8 B10 38.12(18) . . . . ?
C2 C3 B9 B8 -1.4(3) . . . . ?
B5 C3 B9 B8 103.2(3) . . . . ?
B1 C3 B9 B8 67.0(3) . . . . ?
B4 C3 B9 B8 -40.0(2) . . . . ?
C2 C3 B9 B4 38.7(2) . . . . ?
B5 C3 B9 B4 143.2(2) . . . . ?
B1 C3 B9 B4 107.0(2) . . . . ?
C2 C3 B9 B10 -64.1(2) . . . . ?
B5 C3 B9 B10 40.5(2) . . . . ?
B1 C3 B9 B10 4.2(3) . . . . ?
B4 C3 B9 B10 -102.8(2) . . . . ?
C2 C3 B9 B5 -104.6(2) . . . . ?
B1 C3 B9 B5 -36.2(2) . . . . ?
B4 C3 B9 B5 -143.2(2) . . . . ?
B4 B8 B9 C3 40.4(2) . . . . ?
B3 B8 B9 C3 1.7(3) . . . . ?
B10 B8 B9 C3 -98.3(2) . . . . ?
B7 B8 B9 C3 -61.4(3) . . . . ?
B3 B8 B9 B4 -38.7(2) . . . . ?
B10 B8 B9 B4 -138.7(2) . . . . ?
B7 B8 B9 B4 -101.8(2) . . . . ?
B4 B8 B9 B10 138.7(2) . . . . ?
B3 B8 B9 B10 100.0(2) . . . . ?
B7 B8 B9 B10 36.94(19) . . . . ?
B4 B8 B9 B5 101.0(2) . . . . ?
B3 B8 B9 B5 62.3(3) . . . . ?
B10 B8 B9 B5 -37.7(2) . . . . ?
B7 B8 B9 B5 -0.8(3) . . . . ?
C2 B4 B9 C3 -34.57(17) . . . . ?
B8 B4 B9 C3 -133.5(2) . . . . ?
B3 B4 B9 C3 -95.1(2) . . . . ?
C3 B4 B9 B8 133.5(2) . . . . ?
C2 B4 B9 B8 98.9(2) . . . . ?
B3 B4 B9 B8 38.5(2) . . . . ?
C3 B4 B9 B10 96.4(2) . . . . ?
C2 B4 B9 B10 61.8(2) . . . . ?
B8 B4 B9 B10 -37.2(2) . . . . ?
B3 B4 B9 B10 1.3(3) . . . . ?
C3 B4 B9 B5 32.4(2) . . . . ?
C2 B4 B9 B5 -2.2(3) . . . . ?
B8 B4 B9 B5 -101.1(3) . . . . ?
B3 B4 B9 B5 -62.7(3) . . . . ?
B6 B5 B9 C3 96.2(2) . . . . ?
B1 B5 B9 C3 33.07(19) . . . . ?
B10 B5 B9 C3 133.6(2) . . . . ?
C3 B5 B9 B8 -95.9(2) . . . . ?
B6 B5 B9 B8 0.3(3) . . . . ?
B1 B5 B9 B8 -62.8(3) . . . . ?
B10 B5 B9 B8 37.8(2) . . . . ?
C3 B5 B9 B4 -33.1(2) . . . . ?
B6 B5 B9 B4 63.1(3) . . . . ?
B1 B5 B9 B4 0.0(3) . . . . ?
B10 B5 B9 B4 100.6(2) . . . . ?
C3 B5 B9 B10 -133.6(2) . . . . ?
B6 B5 B9 B10 -37.5(2) . . . . ?
B1 B5 B9 B10 -100.6(2) . . . . ?
B2 B7 B10 B9 -63.1(3) . . . . ?
B3 B7 B10 B9 0.5(3) . . . . ?
B8 B7 B10 B9 37.3(2) . . . . ?
B6 B7 B10 B9 -100.1(2) . . . . ?
B2 B7 B10 B8 -100.4(2) . . . . ?
B3 B7 B10 B8 -36.79(18) . . . . ?
B6 B7 B10 B8 -137.3(2) . . . . ?
B2 B7 B10 B5 0.3(3) . . . . ?
B3 B7 B10 B5 63.9(3) . . . . ?
B8 B7 B10 B5 100.7(2) . . . . ?
B6 B7 B10 B5 -36.7(2) . . . . ?
B2 B7 B10 B6 36.9(2) . . . . ?
B3 B7 B10 B6 100.6(2) . . . . ?
B8 B7 B10 B6 137.3(2) . . . . ?
C3 B9 B10 B7 61.3(3) . . . . ?
B8 B9 B10 B7 -37.67(19) . . . . ?
B4 B9 B10 B7 -1.1(3) . . . . ?
B5 B9 B10 B7 100.6(2) . . . . ?
C3 B9 B10 B8 99.0(2) . . . . ?
B4 B9 B10 B8 36.57(19) . . . . ?
B5 B9 B10 B8 138.2(2) . . . . ?
C3 B9 B10 B5 -39.26(18) . . . . ?
B8 B9 B10 B5 -138.2(2) . . . . ?
B4 B9 B10 B5 -101.7(2) . . . . ?
C3 B9 B10 B6 -2.7(3) . . . . ?
B8 B9 B10 B6 -101.7(2) . . . . ?
B4 B9 B10 B6 -65.1(3) . . . . ?
B5 B9 B10 B6 36.6(2) . . . . ?
B4 B8 B10 B7 100.9(2) . . . . ?
B3 B8 B10 B7 36.80(19) . . . . ?
B9 B8 B10 B7 138.2(2) . . . . ?
B4 B8 B10 B9 -37.2(2) . . . . ?
B3 B8 B10 B9 -101.4(2) . . . . ?
B7 B8 B10 B9 -138.2(2) . . . . ?
B4 B8 B10 B5 0.0(3) . . . . ?
B3 B8 B10 B5 -64.1(3) . . . . ?
B9 B8 B10 B5 37.3(2) . . . . ?
B7 B8 B10 B5 -100.9(3) . . . . ?
B4 B8 B10 B6 62.4(3) . . . . ?
B3 B8 B10 B6 -1.7(3) . . . . ?
B9 B8 B10 B6 99.7(2) . . . . ?
B7 B8 B10 B6 -38.5(2) . . . . ?
C3 B5 B10 B7 -61.7(3) . . . . ?
B6 B5 B10 B7 37.4(2) . . . . ?
B1 B5 B10 B7 0.5(3) . . . . ?
B9 B5 B10 B7 -101.0(2) . . . . ?
C3 B5 B10 B9 39.4(2) . . . . ?
B6 B5 B10 B9 138.4(2) . . . . ?
B1 B5 B10 B9 101.5(2) . . . . ?
C3 B5 B10 B8 2.2(3) . . . . ?
B6 B5 B10 B8 101.3(2) . . . . ?
B1 B5 B10 B8 64.4(3) . . . . ?
B9 B5 B10 B8 -37.1(2) . . . . ?
C3 B5 B10 B6 -99.1(2) . . . . ?
B1 B5 B10 B6 -36.9(2) . . . . ?
B9 B5 B10 B6 -138.4(2) . . . . ?
B1 B6 B10 B7 -100.9(2) . . . . ?
B5 B6 B10 B7 -138.5(2) . . . . ?
B2 B6 B10 B7 -36.54(19) . . . . ?
B1 B6 B10 B9 0.5(3) . . . . ?
B5 B6 B10 B9 -37.0(2) . . . . ?
B2 B6 B10 B9 64.9(3) . . . . ?
B7 B6 B10 B9 101.5(2) . . . . ?
B1 B6 B10 B8 -62.5(3) . . . . ?
B5 B6 B10 B8 -100.0(2) . . . . ?
B2 B6 B10 B8 1.9(3) . . . . ?
B7 B6 B10 B8 38.4(2) . . . . ?
B1 B6 B10 B5 37.50(19) . . . . ?
B2 B6 B10 B5 101.9(2) . . . . ?
B7 B6 B10 B5 138.5(2) . . . . ?

_refine_diff_density_max         0.299
_refine_diff_density_min         -0.162
_refine_diff_density_rms         0.049

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_cu0704ll
_database_code_depnum_ccdc_archive 'CCDC 1034197'
_audit_update_record             
;
2015-03-12 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H60 B40 Cu2 O10'
_chemical_formula_sum            'C20 H60 B40 Cu2 O10'
_chemical_formula_weight         1020.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

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

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

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

_cell_length_a                   10.3183(12)
_cell_length_b                   13.4725(16)
_cell_length_c                   22.1272(19)
_cell_angle_alpha                90
_cell_angle_beta                 117.257(4)
_cell_angle_gamma                90
_cell_volume                     2734.4(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    300(2)
_cell_measurement_reflns_used    5715
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      27.45

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_F_000             1036
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.820
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.791222
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   'SADABS v2.10 BRUKER 2001'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      300(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42339
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.071
_diffrn_reflns_theta_max         28.346
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6768
_reflns_number_gt                5348
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.1077P)²+1.8321P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6768
_refine_ls_number_parameters     319
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0595
_refine_ls_wR_factor_ref         0.1905
_refine_ls_wR_factor_gt          0.1764
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.04876(3) -0.05696(2) -0.03489(2) 0.04659(14) Uani 1 1 d . . . . .
O1 O 0.1169(3) 0.06944(16) -0.05392(13) 0.0645(6) Uani 1 1 d . . . . .
O2 O 0.0374(3) 0.16380(18) 0.00503(15) 0.0737(7) Uani 1 1 d . . . . .
O3 O 0.2247(3) -0.06452(17) 0.05265(12) 0.0640(6) Uani 1 1 d . . . . .
O4 O -0.1443(3) -0.0310(2) -0.11058(13) 0.0737(7) Uani 1 1 d . . . . .
O5 O 0.1151(3) -0.15268(18) -0.09029(13) 0.0674(6) Uani 1 1 d . . . . .
C1 C 0.0969(3) 0.1498(2) -0.03187(15) 0.0522(6) Uani 1 1 d . . . . .
C2 C 0.1500(3) 0.2417(2) -0.05302(15) 0.0537(6) Uani 1 1 d . . . . .
C3 C 0.2640(9) 0.2340(4) -0.0857(4) 0.143(3) Uani 1 1 d . . . . .
H3A H 0.3045 0.1633 -0.0955 0.172 Uiso 1 1 calc R U . . .
C4 C 0.2360(3) -0.0223(2) 0.10467(15) 0.0512(6) Uani 1 1 d . . . . .
C5 C 0.3779(3) -0.0361(2) 0.16819(16) 0.0524(6) Uani 1 1 d . . . . .
C6 C 0.5116(6) -0.1037(7) 0.1702(3) 0.153(4) Uani 1 1 d . . . . .
H6A H 0.5050 -0.1442 0.1257 0.184 Uiso 1 1 calc R U . . .
B5 B 0.1719(8) 0.3422(4) -0.0110(3) 0.099(2) Uani 1 1 d . . . . .
H5 H 0.1479 0.3456 0.0325 0.119 Uiso 1 1 calc R U . . .
B19 B 0.4383(8) 0.0541(5) 0.2211(4) 0.120(3) Uani 1 1 d . . . . .
H19 H 0.3786 0.1248 0.2105 0.145 Uiso 1 1 calc R U . . .
C13 C 0.2429(8) -0.1593(7) -0.0901(6) 0.240(7) Uani 1 1 d . . . . .
H13A H 0.3180 -0.1748 -0.0447 0.288 Uiso 1 1 calc R U . . .
H13B H 0.2671 -0.0965 -0.1039 0.288 Uiso 1 1 calc R U . . .
C14 C 0.2354(9) -0.2387(6) -0.1381(6) 0.207(5) Uani 1 1 d . . . . .
H14A H 0.2471 -0.2107 -0.1757 0.248 Uiso 1 1 calc R U . . .
H14B H 0.3124 -0.2869 -0.1151 0.248 Uiso 1 1 calc R U . . .
C15 C 0.1045(8) -0.2823(6) -0.1609(4) 0.174(3) Uani 1 1 d . . . . .
H15A H 0.1149 -0.3505 -0.1453 0.209 Uiso 1 1 calc R U . . .
H15B H 0.0539 -0.2819 -0.2102 0.209 Uiso 1 1 calc R U . . .
C16 C 0.0286(8) -0.2265(6) -0.1345(4) 0.174(3) Uani 1 1 d . . . . .
H16A H -0.0068 -0.2702 -0.1105 0.209 Uiso 1 1 calc R U . . .
H16B H -0.0552 -0.1960 -0.1716 0.209 Uiso 1 1 calc R U . . .
B1 B 0.3213(6) 0.2790(5) -0.0018(3) 0.113(3) Uani 1 1 d . . . . .
H1 H 0.3979 0.2407 0.0449 0.136 Uiso 1 1 calc R U . . .
B2 B 0.3752(6) 0.3387(5) -0.0587(4) 0.116(3) Uani 1 1 d . . . . .
H2 H 0.4891 0.3374 -0.0499 0.139 Uiso 1 1 calc R U . . .
B3 B 0.2274(9) 0.3359(5) -0.1404(3) 0.111(2) Uani 1 1 d . . . . .
H3 H 0.2432 0.3335 -0.1863 0.133 Uiso 1 1 calc R U . . .
B4 B 0.0837(8) 0.2721(6) -0.1347(3) 0.122(3) Uani 1 1 d . . . . .
H4 H 0.0027 0.2269 -0.1762 0.146 Uiso 1 1 calc R U . . .
B8 B 0.0866(7) 0.3970(6) -0.1405(4) 0.124(3) Uani 1 1 d . . . . .
H8 H 0.0094 0.4368 -0.1863 0.149 Uiso 1 1 calc R U . . .
B6 B 0.3170(11) 0.4064(6) -0.0086(3) 0.150(4) Uani 1 1 d . . . . .
H6 H 0.3916 0.4519 0.0347 0.180 Uiso 1 1 calc R U . . .
B7 B 0.2663(6) 0.4404(3) -0.0924(3) 0.0804(13) Uani 1 1 d . . . . .
H7 H 0.3102 0.5079 -0.1044 0.097 Uiso 1 1 calc R U . . .
B9 B 0.0324(7) 0.3353(5) -0.0865(5) 0.123(3) Uani 1 1 d . . . . .
H9 H -0.0809 0.3325 -0.0945 0.147 Uiso 1 1 calc R U . . .
B10 B 0.1354(11) 0.4426(4) -0.0624(6) 0.133(3) Uani 1 1 d . . . . .
H10 H 0.0899 0.5130 -0.0555 0.160 Uiso 1 1 calc R U . . .
B11 B 0.5226(7) 0.0274(7) 0.1758(3) 0.130(3) Uani 1 1 d . . . . .
H11 H 0.5232 0.0771 0.1365 0.155 Uiso 1 1 calc R U . . .
B12 B 0.6722(6) -0.0509(6) 0.2289(3) 0.119(3) Uani 1 1 d . . . . .
H12 H 0.7728 -0.0553 0.2234 0.143 Uiso 1 1 calc R U . . .
B13 B 0.6072(7) -0.1514(5) 0.2501(4) 0.132(3) Uani 1 1 d . . . . .
H13 H 0.6654 -0.2226 0.2590 0.159 Uiso 1 1 calc R U . . .
B14 B 0.4105(7) -0.1407(5) 0.2117(4) 0.142(4) Uani 1 1 d . . . . .
H14 H 0.3342 -0.2037 0.1965 0.171 Uiso 1 1 calc R U . . .
B15 B 0.6252(9) 0.0518(4) 0.2610(4) 0.145(4) Uani 1 1 d . . . . .
H15 H 0.6955 0.1179 0.2777 0.174 Uiso 1 1 calc R U . . .
B16 B 0.6757(5) -0.0543(4) 0.3079(2) 0.0793(13) Uani 1 1 d . . . . .
H16 H 0.7771 -0.0586 0.3560 0.095 Uiso 1 1 calc R U . . .
B17 B 0.5176(8) -0.1165(10) 0.2940(4) 0.163(5) Uani 1 1 d . . . . .
H17 H 0.5149 -0.1670 0.3325 0.195 Uiso 1 1 calc R U . . .
B18 B 0.3748(8) -0.0336(10) 0.2412(3) 0.160(5) Uani 1 1 d . . . . .
H18 H 0.2732 -0.0224 0.2450 0.192 Uiso 1 1 calc R U . . .
B20 B 0.5274(9) 0.0108(10) 0.3019(3) 0.172(5) Uani 1 1 d . . . . .
H20 H 0.5306 0.0476 0.3469 0.207 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O3 1.959(2) . ?
Cu1 O2 1.959(2) 3 ?
Cu1 O4 1.959(2) . ?
Cu1 O1 1.960(2) . ?
Cu1 O5 2.098(2) . ?
Cu1 Cu1 2.6785(6) 3 ?
O1 C1 1.243(4) . ?
O2 C1 1.241(4) . ?
O2 Cu1 1.959(2) 3 ?
O3 C4 1.240(4) . ?
O4 C4 1.242(4) 3 ?
O5 C13 1.320(6) . ?
O5 C16 1.394(6) . ?
C1 C2 1.512(4) . ?
C2 B5 1.598(6) . ?
C2 C3 1.642(6) . ?
C2 B4 1.663(6) . ?
C2 B9 1.669(6) . ?
C2 B1 1.681(5) . ?
C3 B2 1.742(8) . ?
C3 B4 1.747(10) . ?
C3 B3 1.753(9) . ?
C3 B1 1.777(10) . ?
C3 H3A 1.1000 . ?
C4 O4 1.242(4) 3 ?
C4 C5 1.506(4) . ?
C5 B19 1.602(6) . ?
C5 B18 1.629(7) . ?
C5 C6 1.638(6) . ?
C5 B14 1.652(6) . ?
C5 B11 1.661(6) . ?
C6 B13 1.708(10) . ?
C6 B12 1.723(8) . ?
C6 B14 1.749(11) . ?
C6 B11 1.771(11) . ?
C6 H6A 1.1000 . ?
B5 B9 1.633(10) . ?
B5 B1 1.690(10) . ?
B5 B10 1.695(10) . ?
B5 B6 1.708(8) . ?
B5 H5 1.1000 . ?
B19 B18 1.514(13) . ?
B19 B11 1.639(12) . ?
B19 B20 1.697(12) . ?
B19 B15 1.715(11) . ?
B19 H19 1.1000 . ?
C13 C14 1.483(8) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.341(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.392(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
B1 B6 1.722(10) . ?
B1 B2 1.783(8) . ?
B1 H1 1.1000 . ?
B2 B7 1.712(7) . ?
B2 B6 1.741(12) . ?
B2 B3 1.753(10) . ?
B2 H2 1.1000 . ?
B3 B8 1.670(11) . ?
B3 B7 1.699(8) . ?
B3 B4 1.769(9) . ?
B3 H3 1.1000 . ?
B4 B9 1.630(12) . ?
B4 B8 1.689(10) . ?
B4 H4 1.1000 . ?
B8 B10 1.679(13) . ?
B8 B9 1.744(10) . ?
B8 B7 1.763(8) . ?
B8 H8 1.1000 . ?
B6 B7 1.742(8) . ?
B6 B10 1.767(13) . ?
B6 H6 1.1000 . ?
B7 B10 1.756(9) . ?
B7 H7 1.1000 . ?
B9 B10 1.727(10) . ?
B9 H9 1.1000 . ?
B10 H10 1.1000 . ?
B11 B15 1.718(10) . ?
B11 B12 1.793(10) . ?
B11 H11 1.1000 . ?
B12 B13 1.671(11) . ?
B12 B15 1.723(12) . ?
B12 B16 1.733(9) . ?
B12 H12 1.1000 . ?
B13 B17 1.687(13) . ?
B13 B16 1.738(8) . ?
B13 B14 1.812(10) . ?
B13 H13 1.1000 . ?
B14 B17 1.674(11) . ?
B14 B18 1.692(13) . ?
B14 H14 1.1000 . ?
B15 B16 1.703(8) . ?
B15 B20 1.727(15) . ?
B15 H15 1.1000 . ?
B16 B20 1.715(8) . ?
B16 B17 1.732(9) . ?
B16 H16 1.1000 . ?
B17 B20 1.722(16) . ?
B17 B18 1.791(12) . ?
B17 H17 1.1000 . ?
B18 B20 1.644(13) . ?
B18 H18 1.1000 . ?
B20 H20 1.1000 . ?

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
O3 Cu1 O2 89.22(12) . 3 ?
O3 Cu1 O4 166.76(10) . . ?
O2 Cu1 O4 88.80(13) 3 . ?
O3 Cu1 O1 89.80(11) . . ?
O2 Cu1 O1 166.83(10) 3 . ?
O4 Cu1 O1 89.15(12) . . ?
O3 Cu1 O5 98.24(10) . . ?
O2 Cu1 O5 93.75(10) 3 . ?
O4 Cu1 O5 94.96(10) . . ?
O1 Cu1 O5 99.39(10) . . ?
O3 Cu1 Cu1 83.24(7) . 3 ?
O2 Cu1 Cu1 83.01(7) 3 3 ?
O4 Cu1 Cu1 83.52(7) . 3 ?
O1 Cu1 Cu1 83.83(7) . 3 ?
O5 Cu1 Cu1 176.43(7) . 3 ?
C1 O1 Cu1 122.1(2) . . ?
C1 O2 Cu1 123.3(2) . 3 ?
C4 O3 Cu1 123.0(2) . . ?
C4 O4 Cu1 122.6(2) 3 . ?
C13 O5 C16 105.7(4) . . ?
C13 O5 Cu1 129.3(3) . . ?
C16 O5 Cu1 125.0(3) . . ?
O2 C1 O1 127.7(3) . . ?
O2 C1 C2 116.0(3) . . ?
O1 C1 C2 116.3(3) . . ?
C1 C2 B5 119.2(3) . . ?
C1 C2 C3 121.2(3) . . ?
B5 C2 C3 111.8(3) . . ?
C1 C2 B4 120.7(3) . . ?
B5 C2 B4 107.5(4) . . ?
C3 C2 B4 63.8(4) . . ?
C1 C2 B9 117.6(3) . . ?
B5 C2 B9 59.9(4) . . ?
C3 C2 B9 111.9(4) . . ?
B4 C2 B9 58.5(4) . . ?
C1 C2 B1 117.0(3) . . ?
B5 C2 B1 62.0(4) . . ?
C3 C2 B1 64.6(4) . . ?
B4 C2 B1 116.2(3) . . ?
B9 C2 B1 113.6(4) . . ?
C2 C3 B2 106.8(4) . . ?
C2 C3 B4 58.7(3) . . ?
B2 C3 B4 108.8(4) . . ?
C2 C3 B3 106.5(5) . . ?
B2 C3 B3 60.2(3) . . ?
B4 C3 B3 60.7(4) . . ?
C2 C3 B1 58.7(3) . . ?
B2 C3 B1 60.9(4) . . ?
B4 C3 B1 107.3(4) . . ?
B3 C3 B1 108.5(4) . . ?
C2 C3 H3A 123.6 . . ?
B2 C3 H3A 121.2 . . ?
B4 C3 H3A 121.7 . . ?
B3 C3 H3A 121.5 . . ?
B1 C3 H3A 121.7 . . ?
O3 C4 O4 127.6(3) . 3 ?
O3 C4 C5 116.6(3) . . ?
O4 C4 C5 115.8(3) 3 . ?
C4 C5 B19 118.4(3) . . ?
C4 C5 B18 118.1(3) . . ?
B19 C5 B18 55.8(5) . . ?
C4 C5 C6 122.7(3) . . ?
B19 C5 C6 111.2(4) . . ?
B18 C5 C6 112.6(4) . . ?
C4 C5 B14 120.0(3) . . ?
B19 C5 B14 108.3(5) . . ?
B18 C5 B14 62.1(5) . . ?
C6 C5 B14 64.2(5) . . ?
C4 C5 B11 118.4(3) . . ?
B19 C5 B11 60.3(5) . . ?
B18 C5 B11 108.3(5) . . ?
C6 C5 B11 64.9(5) . . ?
B14 C5 B11 116.5(4) . . ?
C5 C6 B13 108.5(5) . . ?
C5 C6 B12 107.3(5) . . ?
B13 C6 B12 58.3(4) . . ?
C5 C6 B14 58.3(3) . . ?
B13 C6 B14 63.2(5) . . ?
B12 C6 B14 108.7(5) . . ?
C5 C6 B11 58.2(3) . . ?
B13 C6 B11 108.3(4) . . ?
B12 C6 B11 61.7(4) . . ?
B14 C6 B11 106.3(5) . . ?
C5 C6 H6A 123.1 . . ?
B13 C6 H6A 120.7 . . ?
B12 C6 H6A 121.6 . . ?
B14 C6 H6A 121.4 . . ?
B11 C6 H6A 122.2 . . ?
C2 B5 B9 62.2(3) . . ?
C2 B5 B1 61.4(3) . . ?
B9 B5 B1 115.0(5) . . ?
C2 B5 B10 110.9(5) . . ?
B9 B5 B10 62.5(5) . . ?
B1 B5 B10 113.1(4) . . ?
C2 B5 B6 109.6(5) . . ?
B9 B5 B6 114.2(4) . . ?
B1 B5 B6 60.9(5) . . ?
B10 B5 B6 62.6(4) . . ?
C2 B5 H5 121.1 . . ?
B9 B5 H5 116.9 . . ?
B1 B5 H5 118.3 . . ?
B10 B5 H5 119.0 . . ?
B6 B5 H5 119.7 . . ?
B18 B19 C5 63.0(4) . . ?
B18 B19 B11 115.5(5) . . ?
C5 B19 B11 61.6(3) . . ?
B18 B19 B20 61.3(7) . . ?
C5 B19 B20 110.5(6) . . ?
B11 B19 B20 112.7(5) . . ?
B18 B19 B15 111.8(5) . . ?
C5 B19 B15 109.4(5) . . ?
B11 B19 B15 61.6(5) . . ?
B20 B19 B15 60.8(5) . . ?
B18 B19 H19 117.6 . . ?
C5 B19 H19 120.6 . . ?
B11 B19 H19 117.6 . . ?
B20 B19 H19 120.2 . . ?
B15 B19 H19 120.9 . . ?
O5 C13 C14 108.8(5) . . ?
O5 C13 H13A 109.9 . . ?
C14 C13 H13A 109.9 . . ?
O5 C13 H13B 109.9 . . ?
C14 C13 H13B 109.9 . . ?
H13A C13 H13B 108.3 . . ?
C15 C14 C13 107.4(5) . . ?
C15 C14 H14A 110.2 . . ?
C13 C14 H14A 110.2 . . ?
C15 C14 H14B 110.2 . . ?
C13 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C14 C15 C16 105.6(5) . . ?
C14 C15 H15A 110.6 . . ?
C16 C15 H15A 110.6 . . ?
C14 C15 H15B 110.6 . . ?
C16 C15 H15B 110.6 . . ?
H15A C15 H15B 108.8 . . ?
C15 C16 O5 112.2(6) . . ?
C15 C16 H16A 109.2 . . ?
O5 C16 H16A 109.2 . . ?
C15 C16 H16B 109.2 . . ?
O5 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C2 B1 B5 56.6(3) . . ?
C2 B1 B6 105.2(4) . . ?
B5 B1 B6 60.1(5) . . ?
C2 B1 C3 56.6(3) . . ?
B5 B1 C3 101.3(4) . . ?
B6 B1 C3 105.4(4) . . ?
C2 B1 B2 103.3(4) . . ?
B5 B1 B2 104.5(4) . . ?
B6 B1 B2 59.6(4) . . ?
C3 B1 B2 58.6(4) . . ?
C2 B1 H1 125.1 . . ?
B5 B1 H1 124.9 . . ?
B6 B1 H1 121.8 . . ?
C3 B1 H1 125.0 . . ?
B2 B1 H1 123.5 . . ?
B7 B2 B6 60.6(4) . . ?
B7 B2 C3 107.5(4) . . ?
B6 B2 C3 106.1(4) . . ?
B7 B2 B3 58.7(3) . . ?
B6 B2 B3 106.1(5) . . ?
C3 B2 B3 60.2(4) . . ?
B7 B2 B1 108.3(5) . . ?
B6 B2 B1 58.5(4) . . ?
C3 B2 B1 60.5(3) . . ?
B3 B2 B1 108.3(3) . . ?
B7 B2 H2 121.6 . . ?
B6 B2 H2 123.3 . . ?
C3 B2 H2 122.0 . . ?
B3 B2 H2 122.4 . . ?
B1 B2 H2 121.4 . . ?
B8 B3 B7 63.1(4) . . ?
B8 B3 B2 109.6(5) . . ?
B7 B3 B2 59.4(4) . . ?
B8 B3 C3 107.4(4) . . ?
B7 B3 C3 107.6(4) . . ?
B2 B3 C3 59.6(4) . . ?
B8 B3 B4 58.8(5) . . ?
B7 B3 B4 108.8(5) . . ?
B2 B3 B4 107.3(4) . . ?
C3 B3 B4 59.5(3) . . ?
B8 B3 H3 120.7 . . ?
B7 B3 H3 120.6 . . ?
B2 B3 H3 121.8 . . ?
C3 B3 H3 122.6 . . ?
B4 B3 H3 122.4 . . ?
B9 B4 C2 60.9(3) . . ?
B9 B4 B8 63.4(5) . . ?
C2 B4 B8 108.4(5) . . ?
B9 B4 C3 108.7(4) . . ?
C2 B4 C3 57.5(3) . . ?
B8 B4 C3 106.8(4) . . ?
B9 B4 B3 109.1(5) . . ?
C2 B4 B3 104.8(4) . . ?
B8 B4 B3 57.7(4) . . ?
C3 B4 B3 59.8(4) . . ?
B9 B4 H4 119.1 . . ?
C2 B4 H4 123.3 . . ?
B8 B4 H4 121.4 . . ?
C3 B4 H4 122.7 . . ?
B3 B4 H4 123.3 . . ?
B3 B8 B10 109.2(5) . . ?
B3 B8 B4 63.6(5) . . ?
B10 B8 B4 107.0(4) . . ?
B3 B8 B9 108.4(4) . . ?
B10 B8 B9 60.6(5) . . ?
B4 B8 B9 56.6(4) . . ?
B3 B8 B7 59.3(3) . . ?
B10 B8 B7 61.3(4) . . ?
B4 B8 B7 109.6(5) . . ?
B9 B8 B7 108.8(5) . . ?
B3 B8 H8 120.3 . . ?
B10 B8 H8 121.3 . . ?
B4 B8 H8 121.7 . . ?
B9 B8 H8 122.6 . . ?
B7 B8 H8 120.8 . . ?
B5 B6 B1 59.0(3) . . ?
B5 B6 B2 105.5(4) . . ?
B1 B6 B2 62.0(5) . . ?
B5 B6 B7 105.5(5) . . ?
B1 B6 B7 109.8(5) . . ?
B2 B6 B7 58.9(3) . . ?
B5 B6 B10 58.3(4) . . ?
B1 B6 B10 108.1(4) . . ?
B2 B6 B10 106.5(5) . . ?
B7 B6 B10 60.0(4) . . ?
B5 B6 H6 124.3 . . ?
B1 B6 H6 120.0 . . ?
B2 B6 H6 122.6 . . ?
B7 B6 H6 121.9 . . ?
B10 B6 H6 122.4 . . ?
B3 B7 B2 61.8(4) . . ?
B3 B7 B6 108.5(4) . . ?
B2 B7 B6 60.5(5) . . ?
B3 B7 B10 104.4(4) . . ?
B2 B7 B10 108.3(4) . . ?
B6 B7 B10 60.7(5) . . ?
B3 B7 B8 57.6(4) . . ?
B2 B7 B8 107.2(4) . . ?
B6 B7 B8 106.0(4) . . ?
B10 B7 B8 57.0(5) . . ?
B3 B7 H7 122.6 . . ?
B2 B7 H7 120.4 . . ?
B6 B7 H7 121.2 . . ?
B10 B7 H7 123.4 . . ?
B8 B7 H7 124.3 . . ?
B4 B9 B5 107.5(4) . . ?
B4 B9 C2 60.5(3) . . ?
B5 B9 C2 57.9(3) . . ?
B4 B9 B10 107.5(5) . . ?
B5 B9 B10 60.5(5) . . ?
C2 B9 B10 106.0(5) . . ?
B4 B9 B8 60.0(5) . . ?
B5 B9 B8 105.4(4) . . ?
C2 B9 B8 105.6(5) . . ?
B10 B9 B8 57.8(4) . . ?
B4 B9 H9 121.0 . . ?
B5 B9 H9 122.7 . . ?
C2 B9 H9 123.3 . . ?
B10 B9 H9 122.5 . . ?
B8 B9 H9 123.8 . . ?
B8 B10 B5 105.6(4) . . ?
B8 B10 B9 61.6(5) . . ?
B5 B10 B9 57.0(4) . . ?
B8 B10 B7 61.7(4) . . ?
B5 B10 B7 105.5(5) . . ?
B9 B10 B7 109.9(5) . . ?
B8 B10 B6 108.6(5) . . ?
B5 B10 B6 59.1(4) . . ?
B9 B10 B6 106.8(4) . . ?
B7 B10 B6 59.3(4) . . ?
B8 B10 H10 120.8 . . ?
B5 B10 H10 124.9 . . ?
B9 B10 H10 121.5 . . ?
B7 B10 H10 121.2 . . ?
B6 B10 H10 122.2 . . ?
B19 B11 C5 58.1(3) . . ?
B19 B11 B15 61.4(5) . . ?
C5 B11 B15 106.5(5) . . ?
B19 B11 C6 103.2(5) . . ?
C5 B11 C6 56.9(3) . . ?
B15 B11 C6 104.8(4) . . ?
B19 B11 B12 105.5(5) . . ?
C5 B11 B12 103.2(4) . . ?
B15 B11 B12 58.7(4) . . ?
C6 B11 B12 57.8(4) . . ?
B19 B11 H11 123.1 . . ?
C5 B11 H11 124.3 . . ?
B15 B11 H11 121.8 . . ?
C6 B11 H11 125.1 . . ?
B12 B11 H11 124.1 . . ?
B13 B12 B15 108.1(6) . . ?
B13 B12 C6 60.4(4) . . ?
B15 B12 C6 106.7(4) . . ?
B13 B12 B16 61.4(4) . . ?
B15 B12 B16 59.0(4) . . ?
C6 B12 B16 108.6(5) . . ?
B13 B12 B11 108.9(4) . . ?
B15 B12 B11 58.5(4) . . ?
C6 B12 B11 60.4(4) . . ?
B16 B12 B11 106.9(5) . . ?
B13 B12 H12 120.5 . . ?
B15 B12 H12 123.1 . . ?
C6 B12 H12 121.6 . . ?
B16 B12 H12 121.7 . . ?
B11 B12 H12 122.1 . . ?
B12 B13 B17 109.4(6) . . ?
B12 B13 C6 61.3(5) . . ?
B17 B13 C6 106.4(4) . . ?
B12 B13 B16 61.1(4) . . ?
B17 B13 B16 60.7(5) . . ?
C6 B13 B16 109.1(5) . . ?
B12 B13 B14 108.1(4) . . ?
B17 B13 B14 57.0(5) . . ?
C6 B13 B14 59.5(4) . . ?
B16 B13 B14 106.0(6) . . ?
B12 B13 H13 120.0 . . ?
B17 B13 H13 122.5 . . ?
C6 B13 H13 121.5 . . ?
B16 B13 H13 121.3 . . ?
B14 B13 H13 123.7 . . ?
C5 B14 B17 108.9(6) . . ?
C5 B14 B18 58.3(4) . . ?
B17 B14 B18 64.3(6) . . ?
C5 B14 C6 57.5(3) . . ?
B17 B14 C6 105.1(4) . . ?
B18 B14 C6 104.3(5) . . ?
C5 B14 B13 103.1(4) . . ?
B17 B14 B13 57.7(4) . . ?
B18 B14 B13 106.4(5) . . ?
C6 B14 B13 57.3(5) . . ?
C5 B14 H14 123.6 . . ?
B17 B14 H14 120.4 . . ?
B18 B14 H14 121.6 . . ?
C6 B14 H14 125.1 . . ?
B13 B14 H14 125.0 . . ?
B16 B15 B19 106.7(6) . . ?
B16 B15 B11 111.8(5) . . ?
B19 B15 B11 57.0(4) . . ?
B16 B15 B12 60.8(4) . . ?
B19 B15 B12 105.4(4) . . ?
B11 B15 B12 62.8(5) . . ?
B16 B15 B20 60.0(5) . . ?
B19 B15 B20 59.1(6) . . ?
B11 B15 B20 107.4(5) . . ?
B12 B15 B20 107.5(5) . . ?
B16 B15 H15 120.3 . . ?
B19 B15 H15 124.8 . . ?
B11 B15 H15 120.3 . . ?
B12 B15 H15 121.5 . . ?
B20 B15 H15 122.4 . . ?
B15 B16 B20 60.7(6) . . ?
B15 B16 B17 107.3(5) . . ?
B20 B16 B17 59.9(6) . . ?
B15 B16 B12 60.2(5) . . ?
B20 B16 B12 107.6(4) . . ?
B17 B16 B12 104.5(4) . . ?
B15 B16 B13 106.0(4) . . ?
B20 B16 B13 106.3(5) . . ?
B17 B16 B13 58.2(5) . . ?
B12 B16 B13 57.6(4) . . ?
B15 B16 H16 121.6 . . ?
B20 B16 H16 121.4 . . ?
B17 B16 H16 123.2 . . ?
B12 B16 H16 123.3 . . ?
B13 B16 H16 124.0 . . ?
B14 B17 B13 65.3(6) . . ?
B14 B17 B20 106.5(5) . . ?
B13 B17 B20 108.3(6) . . ?
B14 B17 B16 112.7(5) . . ?
B13 B17 B16 61.1(4) . . ?
B20 B17 B16 59.6(4) . . ?
B14 B17 B18 58.4(4) . . ?
B13 B17 B18 107.6(4) . . ?
B20 B17 B18 55.8(6) . . ?
B16 B17 B18 103.9(7) . . ?
B14 B17 H17 118.9 . . ?
B13 B17 H17 119.2 . . ?
B20 B17 H17 124.0 . . ?
B16 B17 H17 121.1 . . ?
B18 B17 H17 125.9 . . ?
B19 B18 C5 61.2(4) . . ?
B19 B18 B20 64.8(7) . . ?
C5 B18 B20 111.8(7) . . ?
B19 B18 B14 110.7(5) . . ?
C5 B18 B14 59.6(4) . . ?
B20 B18 B14 109.2(5) . . ?
B19 B18 B17 110.0(6) . . ?
C5 B18 B17 104.5(5) . . ?
B20 B18 B17 60.0(5) . . ?
B14 B18 B17 57.4(6) . . ?
B19 B18 H18 118.1 . . ?
C5 B18 H18 122.1 . . ?
B20 B18 H18 118.4 . . ?
B14 B18 H18 122.0 . . ?
B17 B18 H18 124.3 . . ?
B18 B20 B19 53.9(4) . . ?
B18 B20 B16 111.4(6) . . ?
B19 B20 B16 106.9(6) . . ?
B18 B20 B17 64.2(7) . . ?
B19 B20 B17 105.0(5) . . ?
B16 B20 B17 60.5(4) . . ?
B18 B20 B15 105.0(5) . . ?
B19 B20 B15 60.1(6) . . ?
B16 B20 B15 59.3(4) . . ?
B17 B20 B15 106.7(5) . . ?
B18 B20 H20 121.7 . . ?
B19 B20 H20 125.2 . . ?
B16 B20 H20 120.3 . . ?
B17 B20 H20 121.2 . . ?
B15 B20 H20 123.2 . . ?

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
Cu1 O2 C1 O1 -2.6(5) 3 . . . ?
Cu1 O2 C1 C2 176.7(2) 3 . . . ?
Cu1 O1 C1 O2 1.7(5) . . . . ?
Cu1 O1 C1 C2 -177.6(2) . . . . ?
O2 C1 C2 B5 18.4(5) . . . . ?
O1 C1 C2 B5 -162.2(4) . . . . ?
O2 C1 C2 C3 165.1(4) . . . . ?
O1 C1 C2 C3 -15.5(5) . . . . ?
O2 C1 C2 B4 -118.8(5) . . . . ?
O1 C1 C2 B4 60.6(6) . . . . ?
O2 C1 C2 B9 -50.8(5) . . . . ?
O1 C1 C2 B9 128.6(5) . . . . ?
O2 C1 C2 B1 89.8(5) . . . . ?
O1 C1 C2 B1 -90.8(5) . . . . ?
C1 C2 C3 B2 -146.4(4) . . . . ?
B5 C2 C3 B2 2.6(7) . . . . ?
B4 C2 C3 B2 102.1(5) . . . . ?
B9 C2 C3 B2 67.7(6) . . . . ?
B1 C2 C3 B2 -38.9(4) . . . . ?
C1 C2 C3 B4 111.5(4) . . . . ?
B5 C2 C3 B4 -99.5(5) . . . . ?
B9 C2 C3 B4 -34.4(5) . . . . ?
B1 C2 C3 B4 -141.0(4) . . . . ?
C1 C2 C3 B3 150.5(3) . . . . ?
B5 C2 C3 B3 -60.5(6) . . . . ?
B4 C2 C3 B3 39.0(5) . . . . ?
B9 C2 C3 B3 4.6(6) . . . . ?
B1 C2 C3 B3 -102.0(5) . . . . ?
C1 C2 C3 B1 -107.5(4) . . . . ?
B5 C2 C3 B1 41.5(4) . . . . ?
B4 C2 C3 B1 141.0(4) . . . . ?
B9 C2 C3 B1 106.6(5) . . . . ?
Cu1 O3 C4 O4 -1.2(5) . . . 3 ?
Cu1 O3 C4 C5 179.46(19) . . . . ?
O3 C4 C5 B19 146.0(5) . . . . ?
O4 C4 C5 B19 -33.4(6) 3 . . . ?
O3 C4 C5 B18 -149.8(6) . . . . ?
O4 C4 C5 B18 30.8(7) 3 . . . ?
O3 C4 C5 C6 -0.6(6) . . . . ?
O4 C4 C5 C6 -180.0(5) 3 . . . ?
O3 C4 C5 B14 -77.5(6) . . . . ?
O4 C4 C5 B14 103.1(6) 3 . . . ?
O3 C4 C5 B11 76.4(6) . . . . ?
O4 C4 C5 B11 -103.0(5) 3 . . . ?
C4 C5 C6 B13 -150.6(4) . . . . ?
B19 C5 C6 B13 60.7(8) . . . . ?
B18 C5 C6 B13 0.2(8) . . . . ?
B14 C5 C6 B13 -40.1(5) . . . . ?
B11 C5 C6 B13 100.5(5) . . . . ?
C4 C5 C6 B12 147.8(4) . . . . ?
B19 C5 C6 B12 -0.8(8) . . . . ?
B18 C5 C6 B12 -61.4(8) . . . . ?
B14 C5 C6 B12 -101.6(6) . . . . ?
B11 C5 C6 B12 39.0(5) . . . . ?
C4 C5 C6 B14 -110.5(4) . . . . ?
B19 C5 C6 B14 100.8(6) . . . . ?
B18 C5 C6 B14 40.2(6) . . . . ?
B11 C5 C6 B14 140.6(4) . . . . ?
C4 C5 C6 B11 108.9(4) . . . . ?
B19 C5 C6 B11 -39.8(5) . . . . ?
B18 C5 C6 B11 -100.4(6) . . . . ?
B14 C5 C6 B11 -140.6(4) . . . . ?
C1 C2 B5 B9 -106.8(4) . . . . ?
C3 C2 B5 B9 103.5(5) . . . . ?
B4 C2 B5 B9 35.4(4) . . . . ?
B1 C2 B5 B9 146.2(4) . . . . ?
C1 C2 B5 B1 107.0(4) . . . . ?
C3 C2 B5 B1 -42.7(5) . . . . ?
B4 C2 B5 B1 -110.9(4) . . . . ?
B9 C2 B5 B1 -146.2(4) . . . . ?
C1 C2 B5 B10 -147.3(4) . . . . ?
C3 C2 B5 B10 63.0(6) . . . . ?
B4 C2 B5 B10 -5.2(6) . . . . ?
B9 C2 B5 B10 -40.5(5) . . . . ?
B1 C2 B5 B10 105.7(5) . . . . ?
C1 C2 B5 B6 145.5(4) . . . . ?
C3 C2 B5 B6 -4.2(7) . . . . ?
B4 C2 B5 B6 -72.4(6) . . . . ?
B9 C2 B5 B6 -107.7(5) . . . . ?
B1 C2 B5 B6 38.5(5) . . . . ?
C4 C5 B19 B18 106.3(4) . . . . ?
C6 C5 B19 B18 -103.6(5) . . . . ?
B14 C5 B19 B18 -34.8(5) . . . . ?
B11 C5 B19 B18 -145.4(5) . . . . ?
C4 C5 B19 B11 -108.3(4) . . . . ?
B18 C5 B19 B11 145.4(5) . . . . ?
C6 C5 B19 B11 41.9(5) . . . . ?
B14 C5 B19 B11 110.6(5) . . . . ?
C4 C5 B19 B20 146.3(5) . . . . ?
B18 C5 B19 B20 40.0(6) . . . . ?
C6 C5 B19 B20 -63.6(8) . . . . ?
B14 C5 B19 B20 5.2(8) . . . . ?
B11 C5 B19 B20 -105.4(6) . . . . ?
C4 C5 B19 B15 -148.6(5) . . . . ?
B18 C5 B19 B15 105.2(7) . . . . ?
C6 C5 B19 B15 1.6(9) . . . . ?
B14 C5 B19 B15 70.3(8) . . . . ?
B11 C5 B19 B15 -40.3(6) . . . . ?
C16 O5 C13 C14 1.8(13) . . . . ?
Cu1 O5 C13 C14 180.0(6) . . . . ?
O5 C13 C14 C15 -5.1(15) . . . . ?
C13 C14 C15 C16 5.9(14) . . . . ?
C14 C15 C16 O5 -5.1(13) . . . . ?
C13 O5 C16 C15 1.9(12) . . . . ?
Cu1 O5 C16 C15 -176.3(6) . . . . ?
C1 C2 B1 B5 -110.4(4) . . . . ?
C3 C2 B1 B5 135.8(4) . . . . ?
B4 C2 B1 B5 96.8(5) . . . . ?
B9 C2 B1 B5 31.7(5) . . . . ?
C1 C2 B1 B6 -147.5(4) . . . . ?
B5 C2 B1 B6 -37.1(5) . . . . ?
C3 C2 B1 B6 98.7(5) . . . . ?
B4 C2 B1 B6 59.7(7) . . . . ?
B9 C2 B1 B6 -5.4(7) . . . . ?
C1 C2 B1 C3 113.7(4) . . . . ?
B5 C2 B1 C3 -135.8(4) . . . . ?
B4 C2 B1 C3 -39.0(5) . . . . ?
B9 C2 B1 C3 -104.2(5) . . . . ?
C1 C2 B1 B2 150.8(4) . . . . ?
B5 C2 B1 B2 -98.7(5) . . . . ?
C3 C2 B1 B2 37.1(4) . . . . ?
B4 C2 B1 B2 -1.9(7) . . . . ?
B9 C2 B1 B2 -67.0(6) . . . . ?
B9 B5 B1 C2 -32.9(3) . . . . ?
B10 B5 B1 C2 -102.1(6) . . . . ?
B6 B5 B1 C2 -137.8(4) . . . . ?
C2 B5 B1 B6 137.8(4) . . . . ?
B9 B5 B1 B6 105.0(5) . . . . ?
B10 B5 B1 B6 35.7(5) . . . . ?
C2 B5 B1 C3 36.4(3) . . . . ?
B9 B5 B1 C3 3.6(5) . . . . ?
B10 B5 B1 C3 -65.7(6) . . . . ?
B6 B5 B1 C3 -101.4(4) . . . . ?
C2 B5 B1 B2 96.6(5) . . . . ?
B9 B5 B1 B2 63.7(5) . . . . ?
B10 B5 B1 B2 -5.5(7) . . . . ?
B6 B5 B1 B2 -41.2(4) . . . . ?
B2 C3 B1 C2 136.5(4) . . . . ?
B4 C3 B1 C2 34.3(3) . . . . ?
B3 C3 B1 C2 98.4(5) . . . . ?
C2 C3 B1 B5 -36.4(3) . . . . ?
B2 C3 B1 B5 100.1(4) . . . . ?
B4 C3 B1 B5 -2.1(4) . . . . ?
B3 C3 B1 B5 62.0(5) . . . . ?
C2 C3 B1 B6 -98.2(5) . . . . ?
B2 C3 B1 B6 38.3(5) . . . . ?
B4 C3 B1 B6 -64.0(5) . . . . ?
B3 C3 B1 B6 0.2(7) . . . . ?
C2 C3 B1 B2 -136.5(4) . . . . ?
B4 C3 B1 B2 -102.3(4) . . . . ?
B3 C3 B1 B2 -38.1(4) . . . . ?
C2 C3 B2 B7 -63.6(6) . . . . ?
B4 C3 B2 B7 -1.7(7) . . . . ?
B3 C3 B2 B7 36.1(4) . . . . ?
B1 C3 B2 B7 -101.5(6) . . . . ?
C2 C3 B2 B6 0.0(7) . . . . ?
B4 C3 B2 B6 61.9(6) . . . . ?
B3 C3 B2 B6 99.7(5) . . . . ?
B1 C3 B2 B6 -37.9(5) . . . . ?
C2 C3 B2 B3 -99.7(6) . . . . ?
B4 C3 B2 B3 -37.8(5) . . . . ?
B1 C3 B2 B3 -137.6(5) . . . . ?
C2 C3 B2 B1 37.9(4) . . . . ?
B4 C3 B2 B1 99.8(5) . . . . ?
B3 C3 B2 B1 137.6(5) . . . . ?
C2 B1 B2 B7 64.0(6) . . . . ?
B5 B1 B2 B7 5.6(6) . . . . ?
B6 B1 B2 B7 -35.9(5) . . . . ?
C3 B1 B2 B7 100.2(5) . . . . ?
C2 B1 B2 B6 100.0(5) . . . . ?
B5 B1 B2 B6 41.5(5) . . . . ?
C3 B1 B2 B6 136.1(5) . . . . ?
C2 B1 B2 C3 -36.2(4) . . . . ?
B5 B1 B2 C3 -94.6(4) . . . . ?
B6 B1 B2 C3 -136.1(5) . . . . ?
C2 B1 B2 B3 1.9(7) . . . . ?
B5 B1 B2 B3 -56.6(6) . . . . ?
B6 B1 B2 B3 -98.1(5) . . . . ?
C3 B1 B2 B3 38.0(5) . . . . ?
B7 B2 B3 B8 -39.8(4) . . . . ?
B6 B2 B3 B8 -0.5(5) . . . . ?
C3 B2 B3 B8 99.1(4) . . . . ?
B1 B2 B3 B8 60.9(6) . . . . ?
B6 B2 B3 B7 39.3(4) . . . . ?
C3 B2 B3 B7 138.9(4) . . . . ?
B1 B2 B3 B7 100.7(5) . . . . ?
B7 B2 B3 C3 -138.9(4) . . . . ?
B6 B2 B3 C3 -99.6(4) . . . . ?
B1 B2 B3 C3 -38.2(5) . . . . ?
B7 B2 B3 B4 -102.0(6) . . . . ?
B6 B2 B3 B4 -62.8(6) . . . . ?
C3 B2 B3 B4 36.9(5) . . . . ?
B1 B2 B3 B4 -1.3(7) . . . . ?
C2 C3 B3 B8 -2.7(7) . . . . ?
B2 C3 B3 B8 -103.0(5) . . . . ?
B4 C3 B3 B8 35.4(5) . . . . ?
B1 C3 B3 B8 -64.5(6) . . . . ?
C2 C3 B3 B7 63.9(6) . . . . ?
B2 C3 B3 B7 -36.4(4) . . . . ?
B4 C3 B3 B7 101.9(6) . . . . ?
B1 C3 B3 B7 2.0(7) . . . . ?
C2 C3 B3 B2 100.3(5) . . . . ?
B4 C3 B3 B2 138.3(5) . . . . ?
B1 C3 B3 B2 38.4(5) . . . . ?
C2 C3 B3 B4 -38.0(4) . . . . ?
B2 C3 B3 B4 -138.3(5) . . . . ?
B1 C3 B3 B4 -99.9(5) . . . . ?
C1 C2 B4 B9 105.6(4) . . . . ?
B5 C2 B4 B9 -36.0(4) . . . . ?
C3 C2 B4 B9 -142.1(4) . . . . ?
B1 C2 B4 B9 -102.8(5) . . . . ?
C1 C2 B4 B8 149.1(4) . . . . ?
B5 C2 B4 B8 7.6(6) . . . . ?
C3 C2 B4 B8 -98.6(5) . . . . ?
B9 C2 B4 B8 43.5(5) . . . . ?
B1 C2 B4 B8 -59.2(7) . . . . ?
C1 C2 B4 C3 -112.4(4) . . . . ?
B5 C2 B4 C3 106.1(4) . . . . ?
B9 C2 B4 C3 142.1(4) . . . . ?
B1 C2 B4 C3 39.3(5) . . . . ?
C1 C2 B4 B3 -150.6(4) . . . . ?
B5 C2 B4 B3 67.9(6) . . . . ?
C3 C2 B4 B3 -38.2(5) . . . . ?
B9 C2 B4 B3 103.9(6) . . . . ?
B1 C2 B4 B3 1.1(7) . . . . ?
C2 C3 B4 B9 34.5(3) . . . . ?
B2 C3 B4 B9 -64.2(5) . . . . ?
B3 C3 B4 B9 -101.7(5) . . . . ?
B1 C3 B4 B9 0.2(5) . . . . ?
B2 C3 B4 C2 -98.7(5) . . . . ?
B3 C3 B4 C2 -136.2(4) . . . . ?
B1 C3 B4 C2 -34.3(3) . . . . ?
C2 C3 B4 B8 101.4(6) . . . . ?
B2 C3 B4 B8 2.8(7) . . . . ?
B3 C3 B4 B8 -34.8(5) . . . . ?
B1 C3 B4 B8 67.2(6) . . . . ?
C2 C3 B4 B3 136.2(4) . . . . ?
B2 C3 B4 B3 37.5(5) . . . . ?
B1 C3 B4 B3 101.9(4) . . . . ?
B8 B3 B4 B9 -38.7(6) . . . . ?
B7 B3 B4 B9 1.2(7) . . . . ?
B2 B3 B4 B9 64.1(7) . . . . ?
C3 B3 B4 B9 101.0(5) . . . . ?
B8 B3 B4 C2 -102.6(6) . . . . ?
B7 B3 B4 C2 -62.6(7) . . . . ?
B2 B3 B4 C2 0.2(7) . . . . ?
C3 B3 B4 C2 37.1(4) . . . . ?
B7 B3 B4 B8 40.0(5) . . . . ?
B2 B3 B4 B8 102.8(6) . . . . ?
C3 B3 B4 B8 139.7(5) . . . . ?
B8 B3 B4 C3 -139.7(5) . . . . ?
B7 B3 B4 C3 -99.8(5) . . . . ?
B2 B3 B4 C3 -36.9(5) . . . . ?
B7 B3 B8 B10 -37.0(4) . . . . ?
B2 B3 B8 B10 1.2(6) . . . . ?
C3 B3 B8 B10 64.3(6) . . . . ?
B4 B3 B8 B10 100.0(5) . . . . ?
B7 B3 B8 B4 -137.0(4) . . . . ?
B2 B3 B8 B4 -98.8(4) . . . . ?
C3 B3 B8 B4 -35.7(5) . . . . ?
B7 B3 B8 B9 -101.4(6) . . . . ?
B2 B3 B8 B9 -63.2(6) . . . . ?
C3 B3 B8 B9 -0.1(7) . . . . ?
B4 B3 B8 B9 35.6(5) . . . . ?
B2 B3 B8 B7 38.2(4) . . . . ?
C3 B3 B8 B7 101.3(5) . . . . ?
B4 B3 B8 B7 137.0(4) . . . . ?
B9 B4 B8 B3 138.6(5) . . . . ?
C2 B4 B8 B3 96.3(5) . . . . ?
C3 B4 B8 B3 35.7(5) . . . . ?
B9 B4 B8 B10 35.2(6) . . . . ?
C2 B4 B8 B10 -7.1(7) . . . . ?
C3 B4 B8 B10 -67.7(7) . . . . ?
B3 B4 B8 B10 -103.4(5) . . . . ?
C2 B4 B8 B9 -42.3(4) . . . . ?
C3 B4 B8 B9 -102.9(5) . . . . ?
B3 B4 B8 B9 -138.6(5) . . . . ?
B9 B4 B8 B7 100.1(6) . . . . ?
C2 B4 B8 B7 57.8(7) . . . . ?
C3 B4 B8 B7 -2.8(7) . . . . ?
B3 B4 B8 B7 -38.5(4) . . . . ?
C2 B5 B6 B1 -38.7(4) . . . . ?
B9 B5 B6 B1 -106.3(5) . . . . ?
B10 B5 B6 B1 -142.7(5) . . . . ?
C2 B5 B6 B2 4.0(7) . . . . ?
B9 B5 B6 B2 -63.6(7) . . . . ?
B1 B5 B6 B2 42.7(5) . . . . ?
B10 B5 B6 B2 -100.0(5) . . . . ?
C2 B5 B6 B7 65.3(7) . . . . ?
B9 B5 B6 B7 -2.2(8) . . . . ?
B1 B5 B6 B7 104.0(6) . . . . ?
B10 B5 B6 B7 -38.7(5) . . . . ?
C2 B5 B6 B10 104.0(6) . . . . ?
B9 B5 B6 B10 36.5(6) . . . . ?
B1 B5 B6 B10 142.7(5) . . . . ?
C2 B1 B6 B5 35.5(4) . . . . ?
C3 B1 B6 B5 94.4(4) . . . . ?
B2 B1 B6 B5 132.2(5) . . . . ?
C2 B1 B6 B2 -96.7(5) . . . . ?
B5 B1 B6 B2 -132.2(5) . . . . ?
C3 B1 B6 B2 -37.9(5) . . . . ?
C2 B1 B6 B7 -61.2(7) . . . . ?
B5 B1 B6 B7 -96.7(6) . . . . ?
C3 B1 B6 B7 -2.3(7) . . . . ?
B2 B1 B6 B7 35.6(5) . . . . ?
C2 B1 B6 B10 2.7(7) . . . . ?
B5 B1 B6 B10 -32.8(6) . . . . ?
C3 B1 B6 B10 61.6(7) . . . . ?
B2 B1 B6 B10 99.4(5) . . . . ?
B7 B2 B6 B5 99.1(6) . . . . ?
C3 B2 B6 B5 -2.3(7) . . . . ?
B3 B2 B6 B5 60.7(6) . . . . ?
B1 B2 B6 B5 -41.2(4) . . . . ?
B7 B2 B6 B1 140.3(4) . . . . ?
C3 B2 B6 B1 38.9(5) . . . . ?
B3 B2 B6 B1 101.9(4) . . . . ?
C3 B2 B6 B7 -101.4(5) . . . . ?
B3 B2 B6 B7 -38.4(3) . . . . ?
B1 B2 B6 B7 -140.3(4) . . . . ?
B7 B2 B6 B10 38.1(4) . . . . ?
C3 B2 B6 B10 -63.2(5) . . . . ?
B3 B2 B6 B10 -0.3(5) . . . . ?
B1 B2 B6 B10 -102.1(4) . . . . ?
B8 B3 B7 B2 137.5(4) . . . . ?
C3 B3 B7 B2 36.5(4) . . . . ?
B4 B3 B7 B2 99.4(5) . . . . ?
B8 B3 B7 B6 97.6(5) . . . . ?
B2 B3 B7 B6 -39.9(5) . . . . ?
C3 B3 B7 B6 -3.4(7) . . . . ?
B4 B3 B7 B6 59.6(7) . . . . ?
B8 B3 B7 B10 34.1(5) . . . . ?
B2 B3 B7 B10 -103.3(5) . . . . ?
C3 B3 B7 B10 -66.8(6) . . . . ?
B4 B3 B7 B10 -3.9(7) . . . . ?
B2 B3 B7 B8 -137.5(4) . . . . ?
C3 B3 B7 B8 -101.0(5) . . . . ?
B4 B3 B7 B8 -38.0(4) . . . . ?
B6 B2 B7 B3 -135.7(4) . . . . ?
C3 B2 B7 B3 -36.7(4) . . . . ?
B1 B2 B7 B3 -100.7(5) . . . . ?
C3 B2 B7 B6 99.0(5) . . . . ?
B3 B2 B7 B6 135.7(4) . . . . ?
B1 B2 B7 B6 35.0(4) . . . . ?
B6 B2 B7 B10 -38.9(5) . . . . ?
C3 B2 B7 B10 60.1(7) . . . . ?
B3 B2 B7 B10 96.9(5) . . . . ?
B1 B2 B7 B10 -3.9(7) . . . . ?
B6 B2 B7 B8 -99.0(5) . . . . ?
C3 B2 B7 B8 0.0(7) . . . . ?
B3 B2 B7 B8 36.7(5) . . . . ?
B1 B2 B7 B8 -64.0(7) . . . . ?
B5 B6 B7 B3 -58.5(8) . . . . ?
B1 B6 B7 B3 3.6(8) . . . . ?
B2 B6 B7 B3 40.5(5) . . . . ?
B10 B6 B7 B3 -96.4(5) . . . . ?
B5 B6 B7 B2 -99.0(5) . . . . ?
B1 B6 B7 B2 -36.8(5) . . . . ?
B10 B6 B7 B2 -136.9(4) . . . . ?
B5 B6 B7 B10 37.9(5) . . . . ?
B1 B6 B7 B10 100.0(5) . . . . ?
B2 B6 B7 B10 136.9(4) . . . . ?
B5 B6 B7 B8 2.1(8) . . . . ?
B1 B6 B7 B8 64.2(7) . . . . ?
B2 B6 B7 B8 101.1(5) . . . . ?
B10 B6 B7 B8 -35.8(5) . . . . ?
B10 B8 B7 B3 139.6(4) . . . . ?
B4 B8 B7 B3 40.4(5) . . . . ?
B9 B8 B7 B3 100.7(5) . . . . ?
B3 B8 B7 B2 -38.6(4) . . . . ?
B10 B8 B7 B2 101.0(5) . . . . ?
B4 B8 B7 B2 1.8(7) . . . . ?
B9 B8 B7 B2 62.1(7) . . . . ?
B3 B8 B7 B6 -102.1(5) . . . . ?
B10 B8 B7 B6 37.5(5) . . . . ?
B4 B8 B7 B6 -61.7(7) . . . . ?
B9 B8 B7 B6 -1.4(7) . . . . ?
B3 B8 B7 B10 -139.6(4) . . . . ?
B4 B8 B7 B10 -99.2(6) . . . . ?
B9 B8 B7 B10 -38.9(5) . . . . ?
C2 B4 B9 B5 35.1(3) . . . . ?
B8 B4 B9 B5 -98.0(4) . . . . ?
C3 B4 B9 B5 1.9(5) . . . . ?
B3 B4 B9 B5 -61.7(5) . . . . ?
B8 B4 B9 C2 -133.0(4) . . . . ?
C3 B4 B9 C2 -33.2(3) . . . . ?
B3 B4 B9 C2 -96.8(5) . . . . ?
C2 B4 B9 B10 98.8(6) . . . . ?
B8 B4 B9 B10 -34.2(5) . . . . ?
C3 B4 B9 B10 65.7(6) . . . . ?
B3 B4 B9 B10 2.1(7) . . . . ?
C2 B4 B9 B8 133.0(4) . . . . ?
C3 B4 B9 B8 99.9(4) . . . . ?
B3 B4 B9 B8 36.3(5) . . . . ?
C2 B5 B9 B4 -36.2(3) . . . . ?
B1 B5 B9 B4 -3.6(5) . . . . ?
B10 B5 B9 B4 100.6(5) . . . . ?
B6 B5 B9 B4 64.1(6) . . . . ?
B1 B5 B9 C2 32.6(3) . . . . ?
B10 B5 B9 C2 136.8(4) . . . . ?
B6 B5 B9 C2 100.3(6) . . . . ?
C2 B5 B9 B10 -136.8(4) . . . . ?
B1 B5 B9 B10 -104.2(5) . . . . ?
B6 B5 B9 B10 -36.5(6) . . . . ?
C2 B5 B9 B8 -99.0(5) . . . . ?
B1 B5 B9 B8 -66.4(6) . . . . ?
B10 B5 B9 B8 37.8(5) . . . . ?
B6 B5 B9 B8 1.3(8) . . . . ?
C1 C2 B9 B4 -110.8(4) . . . . ?
B5 C2 B9 B4 139.7(4) . . . . ?
C3 C2 B9 B4 36.5(5) . . . . ?
B1 C2 B9 B4 107.3(5) . . . . ?
C1 C2 B9 B5 109.5(3) . . . . ?
C3 C2 B9 B5 -103.2(4) . . . . ?
B4 C2 B9 B5 -139.7(4) . . . . ?
B1 C2 B9 B5 -32.4(4) . . . . ?
C1 C2 B9 B10 147.8(5) . . . . ?
B5 C2 B9 B10 38.3(5) . . . . ?
C3 C2 B9 B10 -64.9(7) . . . . ?
B4 C2 B9 B10 -101.4(6) . . . . ?
B1 C2 B9 B10 5.9(7) . . . . ?
C1 C2 B9 B8 -151.9(4) . . . . ?
B5 C2 B9 B8 98.6(5) . . . . ?
C3 C2 B9 B8 -4.6(7) . . . . ?
B4 C2 B9 B8 -41.1(5) . . . . ?
B1 C2 B9 B8 66.2(7) . . . . ?
B3 B8 B9 B4 -38.6(5) . . . . ?
B10 B8 B9 B4 -140.7(6) . . . . ?
B7 B8 B9 B4 -101.5(6) . . . . ?
B3 B8 B9 B5 63.0(7) . . . . ?
B10 B8 B9 B5 -39.1(6) . . . . ?
B4 B8 B9 B5 101.6(5) . . . . ?
B7 B8 B9 B5 0.1(7) . . . . ?
B3 B8 B9 C2 2.7(8) . . . . ?
B10 B8 B9 C2 -99.4(6) . . . . ?
B4 B8 B9 C2 41.4(4) . . . . ?
B7 B8 B9 C2 -60.2(7) . . . . ?
B3 B8 B9 B10 102.1(6) . . . . ?
B4 B8 B9 B10 140.7(6) . . . . ?
B7 B8 B9 B10 39.2(5) . . . . ?
B3 B8 B10 B5 -63.4(6) . . . . ?
B4 B8 B10 B5 3.9(7) . . . . ?
B9 B8 B10 B5 37.5(4) . . . . ?
B7 B8 B10 B5 -99.5(6) . . . . ?
B3 B8 B10 B9 -100.8(5) . . . . ?
B4 B8 B10 B9 -33.6(5) . . . . ?
B7 B8 B10 B9 -137.0(4) . . . . ?
B3 B8 B10 B7 36.2(4) . . . . ?
B4 B8 B10 B7 103.4(5) . . . . ?
B9 B8 B10 B7 137.0(4) . . . . ?
B3 B8 B10 B6 -1.3(6) . . . . ?
B4 B8 B10 B6 65.9(6) . . . . ?
B9 B8 B10 B6 99.5(4) . . . . ?
B7 B8 B10 B6 -37.5(4) . . . . ?
C2 B5 B10 B8 0.8(7) . . . . ?
B9 B5 B10 B8 -39.7(6) . . . . ?
B1 B5 B10 B8 67.6(7) . . . . ?
B6 B5 B10 B8 102.7(6) . . . . ?
C2 B5 B10 B9 40.4(5) . . . . ?
B1 B5 B10 B9 107.2(5) . . . . ?
B6 B5 B10 B9 142.3(6) . . . . ?
C2 B5 B10 B7 -63.6(7) . . . . ?
B9 B5 B10 B7 -104.0(6) . . . . ?
B1 B5 B10 B7 3.2(8) . . . . ?
B6 B5 B10 B7 38.3(5) . . . . ?
C2 B5 B10 B6 -101.9(6) . . . . ?
B9 B5 B10 B6 -142.3(6) . . . . ?
B1 B5 B10 B6 -35.1(6) . . . . ?
B4 B9 B10 B8 35.1(6) . . . . ?
B5 B9 B10 B8 135.7(5) . . . . ?
C2 B9 B10 B8 98.6(6) . . . . ?
B4 B9 B10 B5 -100.6(5) . . . . ?
C2 B9 B10 B5 -37.1(4) . . . . ?
B8 B9 B10 B5 -135.7(5) . . . . ?
B4 B9 B10 B7 -4.6(8) . . . . ?
B5 B9 B10 B7 96.0(6) . . . . ?
C2 B9 B10 B7 58.9(8) . . . . ?
B8 B9 B10 B7 -39.7(5) . . . . ?
B4 B9 B10 B6 -67.4(8) . . . . ?
B5 B9 B10 B6 33.2(6) . . . . ?
C2 B9 B10 B6 -3.9(8) . . . . ?
B8 B9 B10 B6 -102.4(6) . . . . ?
B3 B7 B10 B8 -34.4(5) . . . . ?
B2 B7 B10 B8 -99.1(5) . . . . ?
B6 B7 B10 B8 -137.9(5) . . . . ?
B3 B7 B10 B5 65.2(7) . . . . ?
B2 B7 B10 B5 0.6(8) . . . . ?
B6 B7 B10 B5 -38.3(5) . . . . ?
B8 B7 B10 B5 99.6(5) . . . . ?
B3 B7 B10 B9 5.2(8) . . . . ?
B2 B7 B10 B9 -59.4(8) . . . . ?
B6 B7 B10 B9 -98.2(6) . . . . ?
B8 B7 B10 B9 39.7(5) . . . . ?
B3 B7 B10 B6 103.4(5) . . . . ?
B2 B7 B10 B6 38.8(5) . . . . ?
B8 B7 B10 B6 137.9(5) . . . . ?
B5 B6 B10 B8 -97.4(5) . . . . ?
B1 B6 B10 B8 -64.3(6) . . . . ?
B2 B6 B10 B8 1.0(5) . . . . ?
B7 B6 B10 B8 38.6(4) . . . . ?
B1 B6 B10 B5 33.1(5) . . . . ?
B2 B6 B10 B5 98.4(4) . . . . ?
B7 B6 B10 B5 136.0(5) . . . . ?
B5 B6 B10 B9 -32.4(5) . . . . ?
B1 B6 B10 B9 0.7(8) . . . . ?
B2 B6 B10 B9 66.0(6) . . . . ?
B7 B6 B10 B9 103.6(6) . . . . ?
B5 B6 B10 B7 -136.0(5) . . . . ?
B1 B6 B10 B7 -102.8(6) . . . . ?
B2 B6 B10 B7 -37.6(3) . . . . ?
B18 B19 B11 C5 34.0(4) . . . . ?
B20 B19 B11 C5 101.9(8) . . . . ?
B15 B19 B11 C5 136.1(4) . . . . ?
B18 B19 B11 B15 -102.1(6) . . . . ?
C5 B19 B11 B15 -136.1(4) . . . . ?
B20 B19 B11 B15 -34.3(7) . . . . ?
B18 B19 B11 C6 -2.2(6) . . . . ?
C5 B19 B11 C6 -36.2(3) . . . . ?
B20 B19 B11 C6 65.6(7) . . . . ?
B15 B19 B11 C6 99.9(4) . . . . ?
B18 B19 B11 B12 -62.0(6) . . . . ?
C5 B19 B11 B12 -96.1(5) . . . . ?
B20 B19 B11 B12 5.8(9) . . . . ?
B15 B19 B11 B12 40.0(5) . . . . ?
C4 C5 B11 B19 108.2(4) . . . . ?
B18 C5 B11 B19 -29.6(5) . . . . ?
C6 C5 B11 B19 -136.6(4) . . . . ?
B14 C5 B11 B19 -96.9(6) . . . . ?
C4 C5 B11 B15 147.6(4) . . . . ?
B19 C5 B11 B15 39.4(5) . . . . ?
B18 C5 B11 B15 9.7(7) . . . . ?
C6 C5 B11 B15 -97.2(6) . . . . ?
B14 C5 B11 B15 -57.5(8) . . . . ?
C4 C5 B11 C6 -115.2(4) . . . . ?
B19 C5 B11 C6 136.6(4) . . . . ?
B18 C5 B11 C6 107.0(5) . . . . ?
B14 C5 B11 C6 39.7(6) . . . . ?
C4 C5 B11 B12 -151.5(4) . . . . ?
B19 C5 B11 B12 100.2(5) . . . . ?
B18 C5 B11 B12 70.6(6) . . . . ?
C6 C5 B11 B12 -36.3(5) . . . . ?
B14 C5 B11 B12 3.3(8) . . . . ?
C5 C6 B11 B19 36.8(3) . . . . ?
B13 C6 B11 B19 -64.0(6) . . . . ?
B12 C6 B11 B19 -100.2(5) . . . . ?
B14 C6 B11 B19 2.6(5) . . . . ?
B13 C6 B11 C5 -100.8(6) . . . . ?
B12 C6 B11 C5 -137.0(5) . . . . ?
B14 C6 B11 C5 -34.2(3) . . . . ?
C5 C6 B11 B15 100.2(6) . . . . ?
B13 C6 B11 B15 -0.5(8) . . . . ?
B12 C6 B11 B15 -36.8(6) . . . . ?
B14 C6 B11 B15 66.0(6) . . . . ?
C5 C6 B11 B12 137.0(5) . . . . ?
B13 C6 B11 B12 36.2(5) . . . . ?
B14 C6 B11 B12 102.8(5) . . . . ?
C5 C6 B12 B13 101.4(6) . . . . ?
B14 C6 B12 B13 39.8(6) . . . . ?
B11 C6 B12 B13 138.7(6) . . . . ?
C5 C6 B12 B15 -0.3(8) . . . . ?
B13 C6 B12 B15 -101.7(6) . . . . ?
B14 C6 B12 B15 -61.9(8) . . . . ?
B11 C6 B12 B15 37.1(6) . . . . ?
C5 C6 B12 B16 62.0(7) . . . . ?
B13 C6 B12 B16 -39.4(5) . . . . ?
B14 C6 B12 B16 0.4(7) . . . . ?
B11 C6 B12 B16 99.3(6) . . . . ?
C5 C6 B12 B11 -37.4(5) . . . . ?
B13 C6 B12 B11 -138.7(6) . . . . ?
B14 C6 B12 B11 -98.9(5) . . . . ?
B19 B11 B12 B13 58.7(7) . . . . ?
C5 B11 B12 B13 -1.4(8) . . . . ?
B15 B11 B12 B13 100.0(7) . . . . ?
C6 B11 B12 B13 -37.3(6) . . . . ?
B19 B11 B12 B15 -41.4(6) . . . . ?
C5 B11 B12 B15 -101.5(7) . . . . ?
C6 B11 B12 B15 -137.4(6) . . . . ?
B19 B11 B12 C6 96.0(5) . . . . ?
C5 B11 B12 C6 35.9(5) . . . . ?
B15 B11 B12 C6 137.4(6) . . . . ?
B19 B11 B12 B16 -6.1(7) . . . . ?
C5 B11 B12 B16 -66.2(6) . . . . ?
B15 B11 B12 B16 35.2(5) . . . . ?
C6 B11 B12 B16 -102.1(6) . . . . ?
B15 B12 B13 B17 0.8(6) . . . . ?
C6 B12 B13 B17 -98.6(4) . . . . ?
B16 B12 B13 B17 38.1(4) . . . . ?
B11 B12 B13 B17 -61.2(7) . . . . ?
B15 B12 B13 C6 99.3(4) . . . . ?
B16 B12 B13 C6 136.7(4) . . . . ?
B11 B12 B13 C6 37.3(5) . . . . ?
B15 B12 B13 B16 -37.4(4) . . . . ?
C6 B12 B13 B16 -136.7(4) . . . . ?
B11 B12 B13 B16 -99.4(6) . . . . ?
B15 B12 B13 B14 61.3(7) . . . . ?
C6 B12 B13 B14 -38.0(5) . . . . ?
B16 B12 B13 B14 98.7(6) . . . . ?
B11 B12 B13 B14 -0.7(9) . . . . ?
C5 C6 B13 B12 -99.4(6) . . . . ?
B14 C6 B13 B12 -137.2(6) . . . . ?
B11 C6 B13 B12 -37.7(6) . . . . ?
C5 C6 B13 B17 4.1(8) . . . . ?
B12 C6 B13 B17 103.5(6) . . . . ?
B14 C6 B13 B17 -33.7(7) . . . . ?
B11 C6 B13 B17 65.8(8) . . . . ?
C5 C6 B13 B16 -59.9(8) . . . . ?
B12 C6 B13 B16 39.4(5) . . . . ?
B14 C6 B13 B16 -97.8(7) . . . . ?
B11 C6 B13 B16 1.7(8) . . . . ?
C5 C6 B13 B14 37.8(5) . . . . ?
B12 C6 B13 B14 137.2(6) . . . . ?
B11 C6 B13 B14 99.5(5) . . . . ?
C4 C5 B14 B17 -149.3(5) . . . . ?
B19 C5 B14 B17 -9.0(8) . . . . ?
B18 C5 B14 B17 -41.3(6) . . . . ?
C6 C5 B14 B17 96.2(6) . . . . ?
B11 C5 B14 B17 56.3(9) . . . . ?
C4 C5 B14 B18 -108.0(5) . . . . ?
B19 C5 B14 B18 32.3(5) . . . . ?
C6 C5 B14 B18 137.6(5) . . . . ?
B11 C5 B14 B18 97.6(6) . . . . ?
C4 C5 B14 C6 114.5(4) . . . . ?
B19 C5 B14 C6 -105.2(5) . . . . ?
B18 C5 B14 C6 -137.6(5) . . . . ?
B11 C5 B14 C6 -40.0(6) . . . . ?
C4 C5 B14 B13 150.7(4) . . . . ?
B19 C5 B14 B13 -69.0(7) . . . . ?
B18 C5 B14 B13 -101.3(6) . . . . ?
C6 C5 B14 B13 36.2(5) . . . . ?
B11 C5 B14 B13 -3.7(8) . . . . ?
B13 C6 B14 C5 136.8(5) . . . . ?
B12 C6 B14 C5 99.2(5) . . . . ?
B11 C6 B14 C5 34.2(3) . . . . ?
C5 C6 B14 B17 -103.1(7) . . . . ?
B13 C6 B14 B17 33.8(6) . . . . ?
B12 C6 B14 B17 -3.8(8) . . . . ?
B11 C6 B14 B17 -68.9(7) . . . . ?
C5 C6 B14 B18 -36.3(3) . . . . ?
B13 C6 B14 B18 100.5(5) . . . . ?
B12 C6 B14 B18 62.9(6) . . . . ?
B11 C6 B14 B18 -2.1(5) . . . . ?
C5 C6 B14 B13 -136.8(5) . . . . ?
B12 C6 B14 B13 -37.6(5) . . . . ?
B11 C6 B14 B13 -102.6(4) . . . . ?
B12 B13 B14 C5 2.5(8) . . . . ?
B17 B13 B14 C5 104.3(7) . . . . ?
C6 B13 B14 C5 -36.3(5) . . . . ?
B16 B13 B14 C5 66.7(8) . . . . ?
B12 B13 B14 B17 -101.8(6) . . . . ?
C6 B13 B14 B17 -140.6(7) . . . . ?
B16 B13 B14 B17 -37.6(5) . . . . ?
B12 B13 B14 B18 -57.9(9) . . . . ?
B17 B13 B14 B18 43.9(8) . . . . ?
C6 B13 B14 B18 -96.7(6) . . . . ?
B16 B13 B14 B18 6.3(8) . . . . ?
B12 B13 B14 C6 38.8(6) . . . . ?
B17 B13 B14 C6 140.6(7) . . . . ?
B16 B13 B14 C6 103.0(6) . . . . ?
B18 B19 B15 B16 2.6(9) . . . . ?
C5 B19 B15 B16 -65.2(9) . . . . ?
B11 B19 B15 B16 -105.5(7) . . . . ?
B20 B19 B15 B16 38.0(6) . . . . ?
B18 B19 B15 B11 108.1(6) . . . . ?
C5 B19 B15 B11 40.3(5) . . . . ?
B20 B19 B15 B11 143.5(7) . . . . ?
B18 B19 B15 B12 66.1(9) . . . . ?
C5 B19 B15 B12 -1.7(9) . . . . ?
B11 B19 B15 B12 -42.0(6) . . . . ?
B20 B19 B15 B12 101.5(6) . . . . ?
B18 B19 B15 B20 -35.4(8) . . . . ?
C5 B19 B15 B20 -103.2(8) . . . . ?
B11 B19 B15 B20 -143.5(7) . . . . ?
B19 B11 B15 B16 96.3(8) . . . . ?
C5 B11 B15 B16 58.4(9) . . . . ?
C6 B11 B15 B16 -0.8(9) . . . . ?
B12 B11 B15 B16 -37.2(6) . . . . ?
C5 B11 B15 B19 -37.8(5) . . . . ?
C6 B11 B15 B19 -97.1(5) . . . . ?
B12 B11 B15 B19 -133.5(6) . . . . ?
B19 B11 B15 B12 133.5(6) . . . . ?
C5 B11 B15 B12 95.7(6) . . . . ?
C6 B11 B15 B12 36.4(6) . . . . ?
B19 B11 B15 B20 32.3(7) . . . . ?
C5 B11 B15 B20 -5.5(8) . . . . ?
C6 B11 B15 B20 -64.8(8) . . . . ?
B12 B11 B15 B20 -101.2(6) . . . . ?
B13 B12 B15 B16 38.4(4) . . . . ?
C6 B12 B15 B16 102.0(6) . . . . ?
B11 B12 B15 B16 139.9(5) . . . . ?
B13 B12 B15 B19 -62.4(7) . . . . ?
C6 B12 B15 B19 1.2(9) . . . . ?
B16 B12 B15 B19 -100.8(7) . . . . ?
B11 B12 B15 B19 39.1(5) . . . . ?
B13 B12 B15 B11 -101.6(5) . . . . ?
C6 B12 B15 B11 -38.0(6) . . . . ?
B16 B12 B15 B11 -139.9(5) . . . . ?
B13 B12 B15 B20 -0.6(6) . . . . ?
C6 B12 B15 B20 63.0(6) . . . . ?
B16 B12 B15 B20 -39.0(4) . . . . ?
B11 B12 B15 B20 101.0(5) . . . . ?
B19 B15 B16 B20 -37.6(6) . . . . ?
B11 B15 B16 B20 -98.1(7) . . . . ?
B12 B15 B16 B20 -136.2(5) . . . . ?
B19 B15 B16 B17 1.5(8) . . . . ?
B11 B15 B16 B17 -59.1(9) . . . . ?
B12 B15 B16 B17 -97.1(6) . . . . ?
B20 B15 B16 B17 39.0(6) . . . . ?
B19 B15 B16 B12 98.6(5) . . . . ?
B11 B15 B16 B12 38.1(6) . . . . ?
B20 B15 B16 B12 136.2(5) . . . . ?
B19 B15 B16 B13 62.4(8) . . . . ?
B11 B15 B16 B13 1.9(9) . . . . ?
B12 B15 B16 B13 -36.2(5) . . . . ?
B20 B15 B16 B13 100.0(6) . . . . ?
B13 B12 B16 B15 -137.7(5) . . . . ?
C6 B12 B16 B15 -98.8(5) . . . . ?
B11 B12 B16 B15 -35.0(5) . . . . ?
B13 B12 B16 B20 -98.4(6) . . . . ?
B15 B12 B16 B20 39.3(6) . . . . ?
C6 B12 B16 B20 -59.4(8) . . . . ?
B11 B12 B16 B20 4.3(7) . . . . ?
B13 B12 B16 B17 -35.9(5) . . . . ?
B15 B12 B16 B17 101.9(6) . . . . ?
C6 B12 B16 B17 3.1(7) . . . . ?
B11 B12 B16 B17 66.9(7) . . . . ?
B15 B12 B16 B13 137.7(5) . . . . ?
C6 B12 B16 B13 39.0(4) . . . . ?
B11 B12 B16 B13 102.8(4) . . . . ?
B12 B13 B16 B15 37.4(6) . . . . ?
B17 B13 B16 B15 -100.8(6) . . . . ?
C6 B13 B16 B15 -2.2(8) . . . . ?
B14 B13 B16 B15 -64.9(8) . . . . ?
B12 B13 B16 B20 100.8(6) . . . . ?
B17 B13 B16 B20 -37.3(6) . . . . ?
C6 B13 B16 B20 61.3(8) . . . . ?
B14 B13 B16 B20 -1.4(8) . . . . ?
B12 B13 B16 B17 138.1(5) . . . . ?
C6 B13 B16 B17 98.6(6) . . . . ?
B14 B13 B16 B17 35.9(5) . . . . ?
B17 B13 B16 B12 -138.1(5) . . . . ?
C6 B13 B16 B12 -39.5(5) . . . . ?
B14 B13 B16 B12 -102.2(5) . . . . ?
C5 B14 B17 B13 -93.8(7) . . . . ?
B18 B14 B17 B13 -132.4(7) . . . . ?
C6 B14 B17 B13 -33.6(6) . . . . ?
C5 B14 B17 B20 9.1(9) . . . . ?
B18 B14 B17 B20 -29.5(7) . . . . ?
C6 B14 B17 B20 69.4(8) . . . . ?
B13 B14 B17 B20 103.0(6) . . . . ?
C5 B14 B17 B16 -54.2(10) . . . . ?
B18 B14 B17 B16 -92.8(9) . . . . ?
C6 B14 B17 B16 6.0(10) . . . . ?
B13 B14 B17 B16 39.6(6) . . . . ?
C5 B14 B17 B18 38.6(6) . . . . ?
C6 B14 B17 B18 98.8(6) . . . . ?
B13 B14 B17 B18 132.4(7) . . . . ?
B12 B13 B17 B14 99.5(5) . . . . ?
C6 B13 B17 B14 34.8(6) . . . . ?
B16 B13 B17 B14 137.8(5) . . . . ?
B12 B13 B17 B20 -0.6(6) . . . . ?
C6 B13 B17 B20 -65.4(6) . . . . ?
B16 B13 B17 B20 37.6(4) . . . . ?
B14 B13 B17 B20 -100.1(5) . . . . ?
B12 B13 B17 B16 -38.3(4) . . . . ?
C6 B13 B17 B16 -103.0(5) . . . . ?
B14 B13 B17 B16 -137.8(5) . . . . ?
B12 B13 B17 B18 58.3(8) . . . . ?
C6 B13 B17 B18 -6.5(9) . . . . ?
B16 B13 B17 B18 96.5(8) . . . . ?
B14 B13 B17 B18 -41.3(6) . . . . ?
B15 B16 B17 B14 56.9(10) . . . . ?
B20 B16 B17 B14 96.3(7) . . . . ?
B12 B16 B17 B14 -5.8(9) . . . . ?
B13 B16 B17 B14 -41.4(7) . . . . ?
B15 B16 B17 B13 98.4(6) . . . . ?
B20 B16 B17 B13 137.7(5) . . . . ?
B12 B16 B17 B13 35.6(5) . . . . ?
B15 B16 B17 B20 -39.4(6) . . . . ?
B12 B16 B17 B20 -102.2(5) . . . . ?
B13 B16 B17 B20 -137.7(5) . . . . ?
B15 B16 B17 B18 -4.2(8) . . . . ?
B20 B16 B17 B18 35.1(5) . . . . ?
B12 B16 B17 B18 -67.0(7) . . . . ?
B13 B16 B17 B18 -102.6(6) . . . . ?
B11 B19 B18 C5 -33.6(4) . . . . ?
B20 B19 B18 C5 -136.6(4) . . . . ?
B15 B19 B18 C5 -101.4(6) . . . . ?
C5 B19 B18 B20 136.6(4) . . . . ?
B11 B19 B18 B20 103.1(5) . . . . ?
B15 B19 B18 B20 35.2(6) . . . . ?
C5 B19 B18 B14 34.5(4) . . . . ?
B11 B19 B18 B14 0.9(7) . . . . ?
B20 B19 B18 B14 -102.2(5) . . . . ?
B15 B19 B18 B14 -66.9(7) . . . . ?
C5 B19 B18 B17 96.0(6) . . . . ?
B11 B19 B18 B17 62.4(8) . . . . ?
B20 B19 B18 B17 -40.6(6) . . . . ?
B15 B19 B18 B17 -5.4(10) . . . . ?
C4 C5 B18 B19 -106.8(4) . . . . ?
C6 C5 B18 B19 101.0(6) . . . . ?
B14 C5 B18 B19 142.2(4) . . . . ?
B11 C5 B18 B19 31.2(5) . . . . ?
C4 C5 B18 B20 -148.8(6) . . . . ?
B19 C5 B18 B20 -42.0(7) . . . . ?
C6 C5 B18 B20 59.0(10) . . . . ?
B14 C5 B18 B20 100.1(7) . . . . ?
B11 C5 B18 B20 -10.8(9) . . . . ?
C4 C5 B18 B14 111.1(4) . . . . ?
B19 C5 B18 B14 -142.2(4) . . . . ?
C6 C5 B18 B14 -41.2(5) . . . . ?
B11 C5 B18 B14 -110.9(5) . . . . ?
C4 C5 B18 B17 148.2(5) . . . . ?
B19 C5 B18 B17 -105.1(7) . . . . ?
C6 C5 B18 B17 -4.1(9) . . . . ?
B14 C5 B18 B17 37.1(6) . . . . ?
B11 C5 B18 B17 -73.8(8) . . . . ?
C5 B14 B18 B19 -35.1(4) . . . . ?
B17 B14 B18 B19 101.0(6) . . . . ?
C6 B14 B18 B19 0.9(6) . . . . ?
B13 B14 B18 B19 60.5(7) . . . . ?
B17 B14 B18 C5 136.1(5) . . . . ?
C6 B14 B18 C5 36.0(3) . . . . ?
B13 B14 B18 C5 95.5(5) . . . . ?
C5 B14 B18 B20 -104.6(8) . . . . ?
B17 B14 B18 B20 31.5(7) . . . . ?
C6 B14 B18 B20 -68.6(8) . . . . ?
B13 B14 B18 B20 -9.1(10) . . . . ?
C5 B14 B18 B17 -136.1(5) . . . . ?
C6 B14 B18 B17 -100.1(5) . . . . ?
B13 B14 B18 B17 -40.6(6) . . . . ?
B14 B17 B18 B19 -102.3(6) . . . . ?
B13 B17 B18 B19 -57.6(10) . . . . ?
B20 B17 B18 B19 42.9(8) . . . . ?
B16 B17 B18 B19 6.0(9) . . . . ?
B14 B17 B18 C5 -38.2(5) . . . . ?
B13 B17 B18 C5 6.5(10) . . . . ?
B20 B17 B18 C5 107.1(9) . . . . ?
B16 B17 B18 C5 70.2(9) . . . . ?
B14 B17 B18 B20 -145.2(7) . . . . ?
B13 B17 B18 B20 -100.5(6) . . . . ?
B16 B17 B18 B20 -36.9(6) . . . . ?
B13 B17 B18 B14 44.7(7) . . . . ?
B20 B17 B18 B14 145.2(7) . . . . ?
B16 B17 B18 B14 108.4(7) . . . . ?
C5 B18 B20 B19 40.4(5) . . . . ?
B14 B18 B20 B19 104.4(6) . . . . ?
B17 B18 B20 B19 135.0(6) . . . . ?
B19 B18 B20 B16 -95.9(9) . . . . ?
C5 B18 B20 B16 -55.5(11) . . . . ?
B14 B18 B20 B16 8.6(11) . . . . ?
B17 B18 B20 B16 39.1(6) . . . . ?
B19 B18 B20 B17 -135.0(6) . . . . ?
C5 B18 B20 B17 -94.6(8) . . . . ?
B14 B18 B20 B17 -30.6(8) . . . . ?
B19 B18 B20 B15 -33.4(7) . . . . ?
C5 B18 B20 B15 7.0(10) . . . . ?
B14 B18 B20 B15 71.0(10) . . . . ?
B17 B18 B20 B15 101.6(6) . . . . ?
C5 B19 B20 B18 -40.8(5) . . . . ?
B11 B19 B20 B18 -107.6(6) . . . . ?
B15 B19 B20 B18 -142.1(6) . . . . ?
B18 B19 B20 B16 104.4(9) . . . . ?
C5 B19 B20 B16 63.7(10) . . . . ?
B11 B19 B20 B16 -3.2(11) . . . . ?
B15 B19 B20 B16 -37.7(6) . . . . ?
B18 B19 B20 B17 41.2(7) . . . . ?
C5 B19 B20 B17 0.5(9) . . . . ?
B11 B19 B20 B17 -66.4(9) . . . . ?
B15 B19 B20 B17 -100.9(5) . . . . ?
B18 B19 B20 B15 142.1(6) . . . . ?
C5 B19 B20 B15 101.4(7) . . . . ?
B11 B19 B20 B15 34.5(7) . . . . ?
B15 B16 B20 B18 95.2(8) . . . . ?
B17 B16 B20 B18 -40.8(7) . . . . ?
B12 B16 B20 B18 56.1(10) . . . . ?
B13 B16 B20 B18 -4.3(10) . . . . ?
B15 B16 B20 B19 38.1(6) . . . . ?
B17 B16 B20 B19 -97.9(7) . . . . ?
B12 B16 B20 B19 -1.0(9) . . . . ?
B13 B16 B20 B19 -61.4(9) . . . . ?
B15 B16 B20 B17 136.0(5) . . . . ?
B12 B16 B20 B17 96.9(5) . . . . ?
B13 B16 B20 B17 36.5(5) . . . . ?
B17 B16 B20 B15 -136.0(5) . . . . ?
B12 B16 B20 B15 -39.1(5) . . . . ?
B13 B16 B20 B15 -99.5(6) . . . . ?
B14 B17 B20 B18 30.4(7) . . . . ?
B13 B17 B20 B18 99.2(5) . . . . ?
B16 B17 B20 B18 137.5(5) . . . . ?
B14 B17 B20 B19 -5.8(9) . . . . ?
B13 B17 B20 B19 63.0(7) . . . . ?
B16 B17 B20 B19 101.3(7) . . . . ?
B18 B17 B20 B19 -36.2(5) . . . . ?
B14 B17 B20 B16 -107.1(7) . . . . ?
B13 B17 B20 B16 -38.3(4) . . . . ?
B18 B17 B20 B16 -137.5(5) . . . . ?
B14 B17 B20 B15 -68.5(7) . . . . ?
B13 B17 B20 B15 0.3(6) . . . . ?
B16 B17 B20 B15 38.6(4) . . . . ?
B18 B17 B20 B15 -98.9(5) . . . . ?
B16 B15 B20 B18 -106.2(8) . . . . ?
B19 B15 B20 B18 30.9(6) . . . . ?
B11 B15 B20 B18 -0.7(10) . . . . ?
B12 B15 B20 B18 -66.9(8) . . . . ?
B16 B15 B20 B19 -137.1(5) . . . . ?
B11 B15 B20 B19 -31.5(6) . . . . ?
B12 B15 B20 B19 -97.8(5) . . . . ?
B19 B15 B20 B16 137.1(5) . . . . ?
B11 B15 B20 B16 105.6(6) . . . . ?
B12 B15 B20 B16 39.3(4) . . . . ?
B16 B15 B20 B17 -39.1(4) . . . . ?
B19 B15 B20 B17 98.0(5) . . . . ?
B11 B15 B20 B17 66.4(6) . . . . ?
B12 B15 B20 B17 0.2(6) . . . . ?

_refine_diff_density_max         0.707
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.073

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mfcl334blaus
_database_code_depnum_ccdc_archive 'CCDC 1034198'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;

_vrf_RFACR01_ALERT_3_A           
;
PROBLEM:  The value of the weighted R factor is 0.461           
RESPONSE: 
            see
           _refine_special_details
;

_vrf_PLAT084_ALERT_3_A           
;
PROBLEM:  High wR2 Value           
RESPONSE: 
            see
           _refine_special_details
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H64 B40 Cu2 N4 O8'
_chemical_formula_sum            'C32 H64 B40 Cu2 N4 O8'
_chemical_formula_weight         1192.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.764(3)
_cell_length_b                   13.327(3)
_cell_length_c                   13.366(3)
_cell_angle_alpha                99.539(3)
_cell_angle_beta                 115.311(3)
_cell_angle_gamma                112.975(3)
_cell_volume                     1598.8(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      3.40
_cell_measurement_theta_max      28.45

_exptl_crystal_description       prism
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_F_000             606
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.711
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.852436
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   'SADADBS v2.10 BRUKER 2001'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'ccd area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24054
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.811
_diffrn_reflns_theta_max         28.447
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             7719
_reflns_number_gt                6095
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 The crystal was of poor quality and so was the data aquired.
 High R indices were optained due to the crystal quality
 Other crystals were tried unsuccesfully.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7719
_refine_ls_number_parameters     382
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1445
_refine_ls_R_factor_gt           0.1297
_refine_ls_wR_factor_ref         0.4613
_refine_ls_wR_factor_gt          0.4524
_refine_ls_goodness_of_fit_ref   2.032
_refine_ls_restrained_S_all      2.032
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.003

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
Cu1 Cu 0.34041(8) 0.51368(6) 0.84111(6) 0.0413(4) Uani 1 1 d . . . . .
O1 O 0.2325(6) 0.5942(5) 0.8483(4) 0.0487(11) Uani 1 1 d . . . . .
O2 O 0.1171(7) 0.5144(6) 0.6485(5) 0.0697(17) Uani 1 1 d . . . . .
O3 O 0.4150(6) 0.4237(5) 0.7863(4) 0.0496(11) Uani 1 1 d . . . . .
O4 O 0.5187(6) 0.3929(5) 0.9527(4) 0.0526(12) Uani 1 1 d . . . . .
C1 C 0.4769(7) 0.3771(6) 0.8478(5) 0.0412(13) Uani 1 1 d . . . . .
B1 B 0.4191(18) 0.1518(9) 0.7724(10) 0.085(4) Uani 1 1 d . . . . .
H1 H 0.3484 0.1205 0.8073 0.102 Uiso 1 1 calc R U . . .
C2 C 0.4998(7) 0.2914(6) 0.7779(5) 0.0412(13) Uani 1 1 d . . . . .
B2 B 0.3564(14) 0.1779(10) 0.6399(8) 0.074(3) Uani 1 1 d . . . . .
H2 H 0.2456 0.1644 0.5892 0.089 Uiso 1 1 calc R U . . .
C3 C 0.6022(12) 0.2491(9) 0.8572(7) 0.074(3) Uani 1 1 d . . . . .
H3B H 0.6534 0.2838 0.9556 0.088 Uiso 1 1 calc R U . . .
B3 B 0.5067(16) 0.2946(10) 0.6539(10) 0.075(3) Uani 1 1 d . . . . .
H3 H 0.4944 0.3575 0.6124 0.090 Uiso 1 1 calc R U . . .
C4 C 0.1436(8) 0.5785(7) 0.7425(6) 0.0499(16) Uani 1 1 d . . . . .
B4 B 0.6642(13) 0.3427(12) 0.7938(12) 0.087(4) Uani 1 1 d . . . . .
H4 H 0.7543 0.4361 0.8423 0.105 Uiso 1 1 calc R U . . .
C5 C 0.0708(8) 0.6517(7) 0.7369(6) 0.0512(16) Uani 1 1 d . . . . .
B5 B 0.391(2) 0.0591(11) 0.6440(11) 0.118(7) Uani 1 1 d . . . . .
H5 H 0.3030 -0.0350 0.5954 0.141 Uiso 1 1 calc R U . . .
C6 C 0.1567(11) 0.7890(9) 0.8449(9) 0.071(2) Uani 1 1 d . . . . .
H6B H 0.2662 0.8315 0.9277 0.086 Uiso 1 1 calc R U . . .
B6 B 0.4398(16) 0.1462(11) 0.5681(9) 0.078(3) Uani 1 1 d . . . . .
H6 H 0.3814 0.1099 0.4690 0.094 Uiso 1 1 calc R U . . .
B7 B 0.626(2) 0.2440(19) 0.6636(15) 0.126(7) Uani 1 1 d . . . . .
H7 H 0.6932 0.2725 0.6248 0.151 Uiso 1 1 calc R U . . .
B8 B 0.698(2) 0.224(2) 0.8023(14) 0.141(9) Uani 1 1 d . . . . .
H8 H 0.8092 0.2407 0.8589 0.169 Uiso 1 1 calc R U . . .
B9 B 0.551(3) 0.1107(16) 0.7847(11) 0.141(9) Uani 1 1 d . . . . .
H9 H 0.5677 0.0504 0.8288 0.169 Uiso 1 1 calc R U . . .
B10 B 0.566(2) 0.1080(16) 0.6602(11) 0.122(7) Uani 1 1 d . . . . .
H10 H 0.5924 0.0479 0.6209 0.146 Uiso 1 1 calc R U . . .
B11 B 0.0080(14) 0.6694(10) 0.8300(12) 0.073(3) Uani 1 1 d . . . . .
H11 H 0.0210 0.6351 0.9012 0.088 Uiso 1 1 calc R U . . .
B12 B -0.1117(13) 0.5748(11) 0.6758(17) 0.112(7) Uani 1 1 d . . . . .
H12 H -0.1785 0.4778 0.6444 0.135 Uiso 1 1 calc R U . . .
B13 B -0.0300(16) 0.6467(13) 0.6071(8) 0.093(5) Uani 1 1 d . . . . .
H13 H -0.0460 0.5924 0.5253 0.111 Uiso 1 1 calc R U . . .
B14 B 0.1392(17) 0.7742(12) 0.7062(12) 0.083(4) Uani 1 1 d . . . . .
H14 H 0.2340 0.8052 0.6966 0.099 Uiso 1 1 calc R U . . .
B15 B 0.0146(13) 0.8049(10) 0.8401(11) 0.070(3) Uani 1 1 d . . . . .
H15 H 0.0300 0.8617 0.9202 0.084 Uiso 1 1 calc R U . . .
B16 B -0.1472(16) 0.6754(14) 0.7447(17) 0.124(5) Uani 1 1 d . . . . .
H16 H -0.2362 0.6458 0.7615 0.149 Uiso 1 1 calc R U . . .
B17 B -0.1766(16) 0.6539(14) 0.5974(17) 0.124(5) Uani 1 1 d . . . . .
H17 H -0.2876 0.6071 0.5153 0.149 Uiso 1 1 calc R U . . .
B18 B -0.020(2) 0.7786(19) 0.6152(13) 0.121(7) Uani 1 1 d . . . . .
H18 H -0.0279 0.8135 0.5449 0.145 Uiso 1 1 calc R U . . .
B19 B 0.0978(13) 0.8723(10) 0.7702(11) 0.070(3) Uani 1 1 d . . . . .
H19 H 0.1664 0.9694 0.8035 0.084 Uiso 1 1 calc R U . . .
B20 B -0.0988(15) 0.7965(12) 0.6976(12) 0.086(4) Uani 1 1 d . . . . .
H20 H -0.1597 0.8433 0.6798 0.103 Uiso 1 1 calc R U . . .
N1 N 0.4685(8) 0.6517(6) 0.8216(5) 0.0527(15) Uani 1 1 d . . . . .
C7 C 0.5439(12) 0.7634(8) 0.8999(8) 0.076(3) Uani 1 1 d . . . . .
H7A H 0.5483 0.7773 0.9723 0.091 Uiso 1 1 calc R U . . .
C8 C 0.6160(15) 0.8596(9) 0.8804(12) 0.095(4) Uani 1 1 d . . . . .
H8A H 0.6691 0.9363 0.9389 0.114 Uiso 1 1 calc R U . . .
C9 C 0.6084(14) 0.8410(10) 0.7747(12) 0.087(3) Uani 1 1 d . . . . .
H9A H 0.6537 0.9049 0.7584 0.105 Uiso 1 1 calc R U . . .
C10 C 0.5336(14) 0.7276(11) 0.6925(10) 0.083(3) Uani 1 1 d . . . . .
H10A H 0.5292 0.7123 0.6200 0.100 Uiso 1 1 calc R U . . .
C11 C 0.4644(11) 0.6355(9) 0.7194(8) 0.069(2) Uani 1 1 d . . . . .
H11A H 0.4123 0.5581 0.6626 0.083 Uiso 1 1 calc R U . . .
N2 N 0.1909(7) 0.3631(6) 0.8306(5) 0.0534(15) Uani 1 1 d . . . . .
C12 C 0.2014(13) 0.3391(10) 0.9240(10) 0.086(3) Uani 1 1 d . . . . .
H12A H 0.2780 0.3983 1.0001 0.103 Uiso 1 1 calc R U . . .
C13 C 0.1104(16) 0.2356(14) 0.9188(14) 0.113(5) Uani 1 1 d . . . . .
H13A H 0.1256 0.2232 0.9888 0.136 Uiso 1 1 calc R U . . .
C14 C -0.0037(15) 0.1501(11) 0.8091(15) 0.104(4) Uani 1 1 d . . . . .
H14A H -0.0733 0.0796 0.8019 0.125 Uiso 1 1 calc R U . . .
C15 C -0.0151(17) 0.1691(12) 0.7100(14) 0.139(7) Uani 1 1 d . . . . .
H15A H -0.0870 0.1090 0.6334 0.167 Uiso 1 1 calc R U . . .
C116 C 0.0828(15) 0.2803(11) 0.7247(10) 0.116(6) Uani 1 1 d . . . . .
H16A H 0.0704 0.2957 0.6565 0.139 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O3 1.955(4) . ?
Cu1 O1 1.975(5) . ?
Cu1 N1 2.013(8) . ?
Cu1 N2 2.020(8) . ?
Cu1 O4 2.289(5) 2_667 ?
O1 C4 1.267(8) . ?
O2 C4 1.228(9) . ?
O3 C1 1.266(8) . ?
O4 C1 1.218(8) . ?
O4 Cu1 2.289(5) 2_667 ?
C1 C2 1.533(8) . ?
B1 C3 1.689(19) . ?
B1 C2 1.698(12) . ?
B1 B5 1.756(15) . ?
B1 B2 1.757(16) . ?
B1 B9 1.80(2) . ?
B1 H1 1.1000 . ?
C2 C3 1.590(10) . ?
C2 B4 1.680(13) . ?
C2 B3 1.702(11) . ?
C2 B2 1.720(12) . ?
B2 B6 1.748(16) . ?
B2 B3 1.749(19) . ?
B2 B5 1.789(17) . ?
B2 H2 1.1000 . ?
C3 B9 1.658(15) . ?
C3 B8 1.682(17) . ?
C3 B4 1.725(19) . ?
C3 H3B 1.1000 . ?
B3 B4 1.748(19) . ?
B3 B7 1.752(18) . ?
B3 B6 1.762(15) . ?
B3 H3 1.1000 . ?
C4 C5 1.520(9) . ?
B4 B7 1.754(17) . ?
B4 B8 1.78(2) . ?
B4 H4 1.1000 . ?
C5 B13 1.601(11) . ?
C5 B12 1.684(15) . ?
C5 C6 1.699(12) . ?
C5 B14 1.720(14) . ?
C5 B11 1.725(13) . ?
B5 B6 1.753(19) . ?
B5 B9 1.76(2) . ?
B5 B10 1.79(3) . ?
B5 H5 1.1000 . ?
C6 B15 1.741(13) . ?
C6 B14 1.743(15) . ?
C6 B11 1.749(15) . ?
C6 B19 1.757(15) . ?
C6 H6B 1.1000 . ?
B6 B7 1.72(2) . ?
B6 B10 1.793(16) . ?
B6 H6 1.1000 . ?
B7 B10 1.65(3) . ?
B7 B8 1.79(3) . ?
B7 H7 1.1000 . ?
B8 B9 1.68(3) . ?
B8 B10 1.74(2) . ?
B8 H8 1.1000 . ?
B9 B10 1.74(2) . ?
B9 H9 1.1000 . ?
B10 H10 1.1000 . ?
B11 B16 1.734(17) . ?
B11 B12 1.76(2) . ?
B11 B15 1.756(14) . ?
B11 H11 1.1000 . ?
B12 B13 1.74(3) . ?
B12 B17 1.76(2) . ?
B12 B16 1.78(2) . ?
B12 H12 1.1000 . ?
B13 B18 1.697(19) . ?
B13 B17 1.72(2) . ?
B13 B14 1.72(2) . ?
B13 H13 1.1000 . ?
B14 B18 1.775(19) . ?
B14 B19 1.778(15) . ?
B14 H14 1.1000 . ?
B15 B16 1.691(19) . ?
B15 B19 1.736(16) . ?
B15 B20 1.750(18) . ?
B15 H15 1.1000 . ?
B16 B17 1.80(3) . ?
B16 B20 1.80(3) . ?
B16 H16 1.1000 . ?
B17 B20 1.731(19) . ?
B17 B18 1.82(3) . ?
B17 H17 1.1000 . ?
B18 B20 1.76(2) . ?
B18 B19 1.76(2) . ?
B18 H18 1.1000 . ?
B19 B20 1.802(18) . ?
B19 H19 1.1000 . ?
B20 H20 1.1000 . ?
N1 C7 1.325(11) . ?
N1 C11 1.324(10) . ?
C7 C8 1.372(14) . ?
C7 H7A 0.9300 . ?
C8 C9 1.351(17) . ?
C8 H8A 0.9300 . ?
C9 C10 1.361(17) . ?
C9 H9A 0.9300 . ?
C10 C11 1.383(14) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
N2 C116 1.298(12) . ?
N2 C12 1.307(12) . ?
C12 C13 1.344(16) . ?
C12 H12A 0.9300 . ?
C13 C14 1.35(2) . ?
C13 H13A 0.9300 . ?
C14 C15 1.35(2) . ?
C14 H14A 0.9300 . ?
C15 C116 1.392(17) . ?
C15 H15A 0.9300 . ?
C116 H16A 0.9300 . ?

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
O3 Cu1 O1 164.1(2) . . ?
O3 Cu1 N1 88.2(2) . . ?
O1 Cu1 N1 88.1(2) . . ?
O3 Cu1 N2 89.1(2) . . ?
O1 Cu1 N2 92.0(2) . . ?
N1 Cu1 N2 170.5(2) . . ?
O3 Cu1 O4 109.91(19) . 2_667 ?
O1 Cu1 O4 85.72(18) . 2_667 ?
N1 Cu1 O4 92.9(2) . 2_667 ?
N2 Cu1 O4 96.6(2) . 2_667 ?
C4 O1 Cu1 109.4(4) . . ?
C1 O3 Cu1 122.9(4) . . ?
C1 O4 Cu1 159.3(5) . 2_667 ?
O4 C1 O3 127.8(6) . . ?
O4 C1 C2 118.4(5) . . ?
O3 C1 C2 113.9(5) . . ?
C3 B1 C2 56.0(5) . . ?
C3 B1 B5 103.8(11) . . ?
C2 B1 B5 105.4(8) . . ?
C3 B1 B2 104.9(8) . . ?
C2 B1 B2 59.7(5) . . ?
B5 B1 B2 61.2(6) . . ?
C3 B1 B9 56.7(9) . . ?
C2 B1 B9 101.6(11) . . ?
B5 B1 B9 59.3(9) . . ?
B2 B1 B9 107.3(9) . . ?
C3 B1 H1 125.6 . . ?
C2 B1 H1 125.2 . . ?
B5 B1 H1 122.5 . . ?
B2 B1 H1 121.1 . . ?
B9 B1 H1 124.2 . . ?
C1 C2 C3 115.5(5) . . ?
C1 C2 B4 118.4(6) . . ?
C3 C2 B4 63.6(8) . . ?
C1 C2 B1 113.5(6) . . ?
C3 C2 B1 61.7(7) . . ?
B4 C2 B1 115.9(8) . . ?
C1 C2 B3 124.3(6) . . ?
C3 C2 B3 112.4(6) . . ?
B4 C2 B3 62.2(7) . . ?
B1 C2 B3 113.3(6) . . ?
C1 C2 B2 121.0(6) . . ?
C3 C2 B2 111.2(6) . . ?
B4 C2 B2 113.6(7) . . ?
B1 C2 B2 61.9(6) . . ?
B3 C2 B2 61.5(7) . . ?
C2 B2 B6 104.8(9) . . ?
C2 B2 B3 58.8(6) . . ?
B6 B2 B3 60.5(7) . . ?
C2 B2 B1 58.4(5) . . ?
B6 B2 B1 107.9(9) . . ?
B3 B2 B1 108.2(9) . . ?
C2 B2 B5 103.0(8) . . ?
B6 B2 B5 59.4(8) . . ?
B3 B2 B5 107.1(10) . . ?
B1 B2 B5 59.4(6) . . ?
C2 B2 H2 125.3 . . ?
B6 B2 H2 122.1 . . ?
B3 B2 H2 121.3 . . ?
B1 B2 H2 121.5 . . ?
B5 B2 H2 123.7 . . ?
C2 C3 B9 113.0(8) . . ?
C2 C3 B8 112.6(9) . . ?
B9 C3 B8 60.2(11) . . ?
C2 C3 B1 62.3(6) . . ?
B9 C3 B1 64.9(11) . . ?
B8 C3 B1 115.4(10) . . ?
C2 C3 B4 60.8(6) . . ?
B9 C3 B4 112.0(9) . . ?
B8 C3 B4 63.1(11) . . ?
B1 C3 B4 114.0(7) . . ?
C2 C3 H3B 119.6 . . ?
B9 C3 H3B 119.0 . . ?
B8 C3 H3B 118.5 . . ?
B1 C3 H3B 116.2 . . ?
B4 C3 H3B 119.1 . . ?
C2 B3 B4 58.3(6) . . ?
C2 B3 B2 59.8(5) . . ?
B4 B3 B2 108.9(8) . . ?
C2 B3 B7 103.1(8) . . ?
B4 B3 B7 60.2(8) . . ?
B2 B3 B7 106.2(10) . . ?
C2 B3 B6 105.0(7) . . ?
B4 B3 B6 108.4(8) . . ?
B2 B3 B6 59.7(7) . . ?
B7 B3 B6 58.7(8) . . ?
C2 B3 H3 124.9 . . ?
B4 B3 H3 120.8 . . ?
B2 B3 H3 121.3 . . ?
B7 B3 H3 124.0 . . ?
B6 B3 H3 122.5 . . ?
O2 C4 O1 125.9(6) . . ?
O2 C4 C5 119.4(6) . . ?
O1 C4 C5 114.6(6) . . ?
C2 B4 C3 55.7(6) . . ?
C2 B4 B3 59.5(6) . . ?
C3 B4 B3 104.0(8) . . ?
C2 B4 B7 103.9(10) . . ?
C3 B4 B7 102.6(11) . . ?
B3 B4 B7 60.1(8) . . ?
C2 B4 B8 103.7(12) . . ?
C3 B4 B8 57.3(9) . . ?
B3 B4 B8 109.7(9) . . ?
B7 B4 B8 60.9(10) . . ?
C2 B4 H4 125.2 . . ?
C3 B4 H4 126.5 . . ?
B3 B4 H4 121.1 . . ?
B7 B4 H4 123.5 . . ?
B8 B4 H4 121.7 . . ?
C4 C5 B13 117.3(6) . . ?
C4 C5 B12 116.1(7) . . ?
B13 C5 B12 63.8(10) . . ?
C4 C5 C6 122.5(6) . . ?
B13 C5 C6 110.0(7) . . ?
B12 C5 C6 112.9(7) . . ?
C4 C5 B14 115.7(7) . . ?
B13 C5 B14 62.3(8) . . ?
B12 C5 B14 117.1(8) . . ?
C6 C5 B14 61.3(6) . . ?
C4 C5 B11 121.3(7) . . ?
B13 C5 B11 112.2(8) . . ?
B12 C5 B11 62.1(9) . . ?
C6 C5 B11 61.4(6) . . ?
B14 C5 B11 113.9(7) . . ?
B6 B5 B9 107.6(14) . . ?
B6 B5 B1 107.8(7) . . ?
B9 B5 B1 61.5(8) . . ?
B6 B5 B2 59.2(6) . . ?
B9 B5 B2 107.7(7) . . ?
B1 B5 B2 59.4(6) . . ?
B6 B5 B10 60.8(9) . . ?
B9 B5 B10 58.7(11) . . ?
B1 B5 B10 108.4(11) . . ?
B2 B5 B10 107.3(10) . . ?
B6 B5 H5 121.9 . . ?
B9 B5 H5 121.8 . . ?
B1 B5 H5 121.1 . . ?
B2 B5 H5 122.6 . . ?
B10 B5 H5 121.9 . . ?
C5 C6 B15 104.6(7) . . ?
C5 C6 B14 59.9(6) . . ?
B15 C6 B14 108.4(8) . . ?
C5 C6 B11 60.0(6) . . ?
B15 C6 B11 60.4(6) . . ?
B14 C6 B11 111.5(9) . . ?
C5 C6 B19 106.4(7) . . ?
B15 C6 B19 59.5(6) . . ?
B14 C6 B19 61.1(6) . . ?
B11 C6 B19 110.3(8) . . ?
C5 C6 H6B 124.1 . . ?
B15 C6 H6B 123.2 . . ?
B14 C6 H6B 119.8 . . ?
B11 C6 H6B 119.3 . . ?
B19 C6 H6B 121.4 . . ?
B7 B6 B2 107.5(7) . . ?
B7 B6 B5 105.3(11) . . ?
B2 B6 B5 61.5(8) . . ?
B7 B6 B3 60.3(8) . . ?
B2 B6 B3 59.7(6) . . ?
B5 B6 B3 108.1(7) . . ?
B7 B6 B10 56.0(11) . . ?
B2 B6 B10 109.1(8) . . ?
B5 B6 B10 60.7(10) . . ?
B3 B6 B10 105.9(9) . . ?
B7 B6 H6 124.0 . . ?
B2 B6 H6 120.6 . . ?
B5 B6 H6 121.5 . . ?
B3 B6 H6 122.1 . . ?
B10 B6 H6 122.9 . . ?
B10 B7 B6 64.1(10) . . ?
B10 B7 B3 112.8(13) . . ?
B6 B7 B3 60.9(8) . . ?
B10 B7 B4 110.7(13) . . ?
B6 B7 B4 109.9(9) . . ?
B3 B7 B4 59.8(7) . . ?
B10 B7 B8 60.6(12) . . ?
B6 B7 B8 111.3(15) . . ?
B3 B7 B8 108.9(8) . . ?
B4 B7 B8 60.3(9) . . ?
B10 B7 H7 118.2 . . ?
B6 B7 H7 119.1 . . ?
B3 B7 H7 120.6 . . ?
B4 B7 H7 121.4 . . ?
B8 B7 H7 121.2 . . ?
B9 B8 C3 59.2(9) . . ?
B9 B8 B10 61.1(12) . . ?
C3 B8 B10 105.3(14) . . ?
B9 B8 B4 108.4(10) . . ?
C3 B8 B4 59.6(7) . . ?
B10 B8 B4 105.4(10) . . ?
B9 B8 B7 104.3(13) . . ?
C3 B8 B7 102.6(9) . . ?
B10 B8 B7 55.7(10) . . ?
B4 B8 B7 58.8(9) . . ?
B9 B8 H8 121.4 . . ?
C3 B8 H8 124.0 . . ?
B10 B8 H8 123.5 . . ?
B4 B8 H8 121.7 . . ?
B7 B8 H8 126.1 . . ?
C3 B9 B8 60.6(9) . . ?
C3 B9 B10 106.6(13) . . ?
B8 B9 B10 61.3(13) . . ?
C3 B9 B5 105.0(8) . . ?
B8 B9 B5 111.5(12) . . ?
B10 B9 B5 61.7(9) . . ?
C3 B9 B1 58.4(6) . . ?
B8 B9 B1 110.3(9) . . ?
B10 B9 B1 108.9(8) . . ?
B5 B9 B1 59.2(9) . . ?
C3 B9 H9 124.3 . . ?
B8 B9 H9 118.8 . . ?
B10 B9 H9 121.0 . . ?
B5 B9 H9 121.5 . . ?
B1 B9 H9 121.6 . . ?
B7 B10 B9 107.7(9) . . ?
B7 B10 B8 63.7(12) . . ?
B9 B10 B8 57.5(10) . . ?
B7 B10 B5 106.6(9) . . ?
B9 B10 B5 59.7(11) . . ?
B8 B10 B5 106.8(10) . . ?
B7 B10 B6 59.8(9) . . ?
B9 B10 B6 106.6(10) . . ?
B8 B10 B6 110.4(9) . . ?
B5 B10 B6 58.5(8) . . ?
B7 B10 H10 120.8 . . ?
B9 B10 H10 123.3 . . ?
B8 B10 H10 120.5 . . ?
B5 B10 H10 123.3 . . ?
B6 B10 H10 121.7 . . ?
C5 B11 B16 105.1(11) . . ?
C5 B11 C6 58.5(5) . . ?
B16 B11 C6 107.3(10) . . ?
C5 B11 B12 57.8(7) . . ?
B16 B11 B12 61.4(8) . . ?
C6 B11 B12 107.0(10) . . ?
C5 B11 B15 102.8(7) . . ?
B16 B11 B15 57.9(7) . . ?
C6 B11 B15 59.5(6) . . ?
B12 B11 B15 105.8(9) . . ?
C5 B11 H11 125.2 . . ?
B16 B11 H11 122.1 . . ?
C6 B11 H11 121.8 . . ?
B12 B11 H11 122.0 . . ?
B15 B11 H11 124.4 . . ?
C5 B12 B13 55.8(7) . . ?
C5 B12 B11 60.1(6) . . ?
B13 B12 B11 104.4(8) . . ?
C5 B12 B17 104.2(12) . . ?
B13 B12 B17 58.7(10) . . ?
B11 B12 B17 107.8(8) . . ?
C5 B12 B16 104.8(8) . . ?
B13 B12 B16 104.8(11) . . ?
B11 B12 B16 58.6(8) . . ?
B17 B12 B16 60.9(10) . . ?
C5 B12 H12 124.6 . . ?
B13 B12 H12 125.0 . . ?
B11 B12 H12 122.2 . . ?
B17 B12 H12 121.9 . . ?
B16 B12 H12 123.0 . . ?
C5 B13 B18 112.1(8) . . ?
C5 B13 B17 110.1(11) . . ?
B18 B13 B17 64.6(9) . . ?
C5 B13 B14 62.2(6) . . ?
B18 B13 B14 62.6(9) . . ?
B17 B13 B14 115.5(8) . . ?
C5 B13 B12 60.4(7) . . ?
B18 B13 B12 115.1(10) . . ?
B17 B13 B12 61.4(11) . . ?
B14 B13 B12 114.3(7) . . ?
C5 B13 H13 121.3 . . ?
B18 B13 H13 117.2 . . ?
B17 B13 H13 118.4 . . ?
B14 B13 H13 117.1 . . ?
B12 B13 H13 118.5 . . ?
C5 B14 B13 55.4(6) . . ?
C5 B14 C6 58.7(5) . . ?
B13 B14 C6 102.5(9) . . ?
C5 B14 B18 103.0(11) . . ?
B13 B14 B18 58.0(9) . . ?
C6 B14 B18 106.5(8) . . ?
C5 B14 B19 104.6(7) . . ?
B13 B14 B19 103.4(9) . . ?
C6 B14 B19 59.8(6) . . ?
B18 B14 B19 59.5(7) . . ?
C5 B14 H14 125.1 . . ?
B13 B14 H14 126.1 . . ?
C6 B14 H14 122.9 . . ?
B18 B14 H14 123.1 . . ?
B19 B14 H14 123.0 . . ?
B16 B15 B19 114.1(12) . . ?
B16 B15 C6 109.7(8) . . ?
B19 B15 C6 60.7(6) . . ?
B16 B15 B20 63.2(10) . . ?
B19 B15 B20 62.2(8) . . ?
C6 B15 B20 109.8(8) . . ?
B16 B15 B11 60.4(7) . . ?
B19 B15 B11 110.9(7) . . ?
C6 B15 B11 60.0(6) . . ?
B20 B15 B11 110.9(9) . . ?
B16 B15 H15 118.8 . . ?
B19 B15 H15 118.5 . . ?
C6 B15 H15 121.8 . . ?
B20 B15 H15 119.4 . . ?
B11 B15 H15 120.9 . . ?
B15 B16 B11 61.7(7) . . ?
B15 B16 B12 107.6(10) . . ?
B11 B16 B12 60.0(7) . . ?
B15 B16 B17 105.4(15) . . ?
B11 B16 B17 107.3(11) . . ?
B12 B16 B17 59.0(10) . . ?
B15 B16 B20 60.0(9) . . ?
B11 B16 B20 109.5(12) . . ?
B12 B16 B20 105.7(15) . . ?
B17 B16 B20 57.5(10) . . ?
B15 B16 H16 121.8 . . ?
B11 B16 H16 120.2 . . ?
B12 B16 H16 122.7 . . ?
B17 B16 H16 124.0 . . ?
B20 B16 H16 122.5 . . ?
B13 B17 B20 104.3(10) . . ?
B13 B17 B12 59.9(8) . . ?
B20 B17 B12 109.8(12) . . ?
B13 B17 B16 105.1(10) . . ?
B20 B17 B16 61.4(9) . . ?
B12 B17 B16 60.1(10) . . ?
B13 B17 B18 57.2(9) . . ?
B20 B17 B18 59.3(9) . . ?
B12 B17 B18 107.8(9) . . ?
B16 B17 B18 107.6(11) . . ?
B13 B17 H17 125.1 . . ?
B20 B17 H17 121.6 . . ?
B12 B17 H17 120.4 . . ?
B16 B17 H17 121.9 . . ?
B18 B17 H17 122.7 . . ?
B13 B18 B20 103.9(12) . . ?
B13 B18 B19 105.1(7) . . ?
B20 B18 B19 61.5(7) . . ?
B13 B18 B14 59.4(7) . . ?
B20 B18 B14 109.5(9) . . ?
B19 B18 B14 60.3(8) . . ?
B13 B18 B17 58.2(10) . . ?
B20 B18 B17 57.7(9) . . ?
B19 B18 B17 106.8(11) . . ?
B14 B18 B17 107.8(10) . . ?
B13 B18 H18 124.9 . . ?
B20 B18 H18 122.3 . . ?
B19 B18 H18 121.9 . . ?
B14 B18 H18 120.5 . . ?
B17 B18 H18 123.1 . . ?
B15 B19 C6 59.8(6) . . ?
B15 B19 B18 106.2(11) . . ?
C6 B19 B18 106.4(8) . . ?
B15 B19 B14 107.1(7) . . ?
C6 B19 B14 59.1(6) . . ?
B18 B19 B14 60.2(7) . . ?
B15 B19 B20 59.3(7) . . ?
C6 B19 B20 106.8(8) . . ?
B18 B19 B20 59.1(9) . . ?
B14 B19 B20 107.5(9) . . ?
B15 B19 H19 122.5 . . ?
C6 B19 H19 122.6 . . ?
B18 B19 H19 122.7 . . ?
B14 B19 H19 121.9 . . ?
B20 B19 H19 122.3 . . ?
B17 B20 B15 105.7(9) . . ?
B17 B20 B18 63.0(11) . . ?
B15 B20 B18 105.7(8) . . ?
B17 B20 B19 109.2(9) . . ?
B15 B20 B19 58.5(7) . . ?
B18 B20 B19 59.3(9) . . ?
B17 B20 B16 61.1(11) . . ?
B15 B20 B16 56.8(7) . . ?
B18 B20 B16 110.1(10) . . ?
B19 B20 B16 105.8(8) . . ?
B17 B20 H20 120.2 . . ?
B15 B20 H20 125.1 . . ?
B18 B20 H20 120.5 . . ?
B19 B20 H20 122.6 . . ?
B16 B20 H20 122.1 . . ?
C7 N1 C11 116.3(8) . . ?
C7 N1 Cu1 123.2(6) . . ?
C11 N1 Cu1 119.9(6) . . ?
N1 C7 C8 123.9(9) . . ?
N1 C7 H7A 118.1 . . ?
C8 C7 H7A 118.1 . . ?
C9 C8 C7 118.8(10) . . ?
C9 C8 H8A 120.6 . . ?
C7 C8 H8A 120.6 . . ?
C8 C9 C10 119.2(10) . . ?
C8 C9 H9A 120.4 . . ?
C10 C9 H9A 120.4 . . ?
C9 C10 C11 118.3(10) . . ?
C9 C10 H10A 120.8 . . ?
C11 C10 H10A 120.9 . . ?
N1 C11 C10 123.5(9) . . ?
N1 C11 H11A 118.2 . . ?
C10 C11 H11A 118.2 . . ?
C116 N2 C12 117.0(9) . . ?
C116 N2 Cu1 118.7(7) . . ?
C12 N2 Cu1 124.1(6) . . ?
N2 C12 C13 125.2(12) . . ?
N2 C12 H12A 117.4 . . ?
C13 C12 H12A 117.4 . . ?
C12 C13 C14 118.1(13) . . ?
C12 C13 H13A 121.0 . . ?
C14 C13 H13A 121.0 . . ?
C13 C14 C15 118.7(11) . . ?
C13 C14 H14A 120.7 . . ?
C15 C14 H14A 120.7 . . ?
C14 C15 C116 118.8(12) . . ?
C14 C15 H15A 120.6 . . ?
C116 C15 H15A 120.6 . . ?
N2 C116 C15 122.0(12) . . ?
N2 C116 H16A 119.0 . . ?
C15 C116 H16A 119.0 . . ?

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
Cu1 O4 C1 O3 -72.7(15) 2_667 . . . ?
Cu1 O4 C1 C2 107.1(12) 2_667 . . . ?
Cu1 O3 C1 O4 -11.3(11) . . . . ?
Cu1 O3 C1 C2 168.8(4) . . . . ?
O4 C1 C2 C3 -10.6(10) . . . . ?
O3 C1 C2 C3 169.3(7) . . . . ?
O4 C1 C2 B4 -82.9(10) . . . . ?
O3 C1 C2 B4 97.0(9) . . . . ?
O4 C1 C2 B1 58.0(9) . . . . ?
O3 C1 C2 B1 -122.1(8) . . . . ?
O4 C1 C2 B3 -157.1(8) . . . . ?
O3 C1 C2 B3 22.8(11) . . . . ?
O4 C1 C2 B2 128.2(8) . . . . ?
O3 C1 C2 B2 -51.9(9) . . . . ?
C3 B1 C2 C1 -107.3(6) . . . . ?
B5 B1 C2 C1 156.2(10) . . . . ?
B2 B1 C2 C1 113.8(7) . . . . ?
B9 B1 C2 C1 -142.8(6) . . . . ?
B5 B1 C2 C3 -96.4(11) . . . . ?
B2 B1 C2 C3 -138.8(8) . . . . ?
B9 B1 C2 C3 -35.4(6) . . . . ?
C3 B1 C2 B4 34.7(7) . . . . ?
B5 B1 C2 B4 -61.8(12) . . . . ?
B2 B1 C2 B4 -104.2(9) . . . . ?
B9 B1 C2 B4 -0.8(9) . . . . ?
C3 B1 C2 B3 103.8(7) . . . . ?
B5 B1 C2 B3 7.4(14) . . . . ?
B2 B1 C2 B3 -35.0(9) . . . . ?
B9 B1 C2 B3 68.4(9) . . . . ?
C3 B1 C2 B2 138.8(8) . . . . ?
B5 B1 C2 B2 42.4(10) . . . . ?
B9 B1 C2 B2 103.4(8) . . . . ?
C1 C2 B2 B6 155.8(7) . . . . ?
C3 C2 B2 B6 -63.8(10) . . . . ?
B4 C2 B2 B6 5.6(11) . . . . ?
B1 C2 B2 B6 -102.2(9) . . . . ?
B3 C2 B2 B6 40.9(7) . . . . ?
C1 C2 B2 B3 114.9(7) . . . . ?
C3 C2 B2 B3 -104.7(8) . . . . ?
B4 C2 B2 B3 -35.3(9) . . . . ?
B1 C2 B2 B3 -143.2(9) . . . . ?
C1 C2 B2 B1 -101.9(9) . . . . ?
C3 C2 B2 B1 38.5(9) . . . . ?
B4 C2 B2 B1 107.9(10) . . . . ?
B3 C2 B2 B1 143.2(9) . . . . ?
C1 C2 B2 B5 -142.8(9) . . . . ?
C3 C2 B2 B5 -2.4(11) . . . . ?
B4 C2 B2 B5 67.0(12) . . . . ?
B1 C2 B2 B5 -40.9(10) . . . . ?
B3 C2 B2 B5 102.3(10) . . . . ?
C3 B1 B2 C2 -34.4(6) . . . . ?
B5 B1 B2 C2 -132.2(11) . . . . ?
B9 B1 B2 C2 -93.6(11) . . . . ?
C3 B1 B2 B6 62.2(9) . . . . ?
C2 B1 B2 B6 96.6(9) . . . . ?
B5 B1 B2 B6 -35.5(11) . . . . ?
B9 B1 B2 B6 3.1(13) . . . . ?
C3 B1 B2 B3 -1.8(9) . . . . ?
C2 B1 B2 B3 32.6(7) . . . . ?
B5 B1 B2 B3 -99.5(11) . . . . ?
B9 B1 B2 B3 -61.0(11) . . . . ?
C3 B1 B2 B5 97.8(11) . . . . ?
C2 B1 B2 B5 132.2(11) . . . . ?
B9 B1 B2 B5 38.6(12) . . . . ?
C1 C2 C3 B9 146.2(12) . . . . ?
B4 C2 C3 B9 -103.2(13) . . . . ?
B1 C2 C3 B9 41.9(12) . . . . ?
B3 C2 C3 B9 -63.3(14) . . . . ?
B2 C2 C3 B9 3.4(14) . . . . ?
C1 C2 C3 B8 -147.9(12) . . . . ?
B4 C2 C3 B8 -37.3(12) . . . . ?
B1 C2 C3 B8 107.9(13) . . . . ?
B3 C2 C3 B8 2.6(14) . . . . ?
B2 C2 C3 B8 69.3(14) . . . . ?
C1 C2 C3 B1 104.2(7) . . . . ?
B4 C2 C3 B1 -145.2(7) . . . . ?
B3 C2 C3 B1 -105.3(8) . . . . ?
B2 C2 C3 B1 -38.5(7) . . . . ?
C1 C2 C3 B4 -110.6(7) . . . . ?
B1 C2 C3 B4 145.2(7) . . . . ?
B3 C2 C3 B4 39.9(7) . . . . ?
B2 C2 C3 B4 106.6(8) . . . . ?
B5 B1 C3 C2 99.4(7) . . . . ?
B2 B1 C3 C2 36.0(6) . . . . ?
B9 B1 C3 C2 137.2(8) . . . . ?
C2 B1 C3 B9 -137.2(8) . . . . ?
B5 B1 C3 B9 -37.8(9) . . . . ?
B2 B1 C3 B9 -101.2(9) . . . . ?
C2 B1 C3 B8 -103.3(11) . . . . ?
B5 B1 C3 B8 -3.9(13) . . . . ?
B2 B1 C3 B8 -67.3(12) . . . . ?
B9 B1 C3 B8 33.9(11) . . . . ?
C2 B1 C3 B4 -33.1(6) . . . . ?
B5 B1 C3 B4 66.4(9) . . . . ?
B2 B1 C3 B4 3.0(9) . . . . ?
B9 B1 C3 B4 104.2(9) . . . . ?
C1 C2 B3 B4 107.0(9) . . . . ?
C3 C2 B3 B4 -40.5(8) . . . . ?
B1 C2 B3 B4 -108.1(9) . . . . ?
B2 C2 B3 B4 -143.2(8) . . . . ?
C1 C2 B3 B2 -109.8(8) . . . . ?
C3 C2 B3 B2 102.7(8) . . . . ?
B4 C2 B3 B2 143.2(8) . . . . ?
B1 C2 B3 B2 35.1(9) . . . . ?
C1 C2 B3 B7 148.9(9) . . . . ?
C3 C2 B3 B7 1.5(12) . . . . ?
B4 C2 B3 B7 41.9(10) . . . . ?
B1 C2 B3 B7 -66.1(12) . . . . ?
B2 C2 B3 B7 -101.3(10) . . . . ?
C1 C2 B3 B6 -150.4(7) . . . . ?
C3 C2 B3 B6 62.1(10) . . . . ?
B4 C2 B3 B6 102.6(9) . . . . ?
B1 C2 B3 B6 -5.5(12) . . . . ?
B2 C2 B3 B6 -40.6(8) . . . . ?
B6 B2 B3 C2 -133.3(7) . . . . ?
B1 B2 B3 C2 -32.5(6) . . . . ?
B5 B2 B3 C2 -95.1(7) . . . . ?
C2 B2 B3 B4 32.6(6) . . . . ?
B6 B2 B3 B4 -100.7(8) . . . . ?
B1 B2 B3 B4 0.1(10) . . . . ?
B5 B2 B3 B4 -62.5(8) . . . . ?
C2 B2 B3 B7 96.0(8) . . . . ?
B6 B2 B3 B7 -37.3(8) . . . . ?
B1 B2 B3 B7 63.5(10) . . . . ?
B5 B2 B3 B7 0.9(10) . . . . ?
C2 B2 B3 B6 133.3(7) . . . . ?
B1 B2 B3 B6 100.8(9) . . . . ?
B5 B2 B3 B6 38.2(7) . . . . ?
Cu1 O1 C4 O2 6.4(11) . . . . ?
Cu1 O1 C4 C5 -171.0(5) . . . . ?
C1 C2 B4 C3 106.1(7) . . . . ?
B1 C2 B4 C3 -34.0(7) . . . . ?
B3 C2 B4 C3 -137.9(7) . . . . ?
B2 C2 B4 C3 -102.9(7) . . . . ?
C1 C2 B4 B3 -116.0(7) . . . . ?
C3 C2 B4 B3 137.9(7) . . . . ?
B1 C2 B4 B3 103.9(7) . . . . ?
B2 C2 B4 B3 35.0(8) . . . . ?
C1 C2 B4 B7 -158.1(10) . . . . ?
C3 C2 B4 B7 95.9(11) . . . . ?
B1 C2 B4 B7 61.9(13) . . . . ?
B3 C2 B4 B7 -42.0(10) . . . . ?
B2 C2 B4 B7 -7.0(14) . . . . ?
C1 C2 B4 B8 139.0(8) . . . . ?
C3 C2 B4 B8 32.9(8) . . . . ?
B1 C2 B4 B8 -1.1(11) . . . . ?
B3 C2 B4 B8 -105.0(8) . . . . ?
B2 C2 B4 B8 -70.0(11) . . . . ?
B9 C3 B4 C2 104.9(11) . . . . ?
B8 C3 B4 C2 141.1(9) . . . . ?
B1 C3 B4 C2 33.6(7) . . . . ?
C2 C3 B4 B3 -36.5(6) . . . . ?
B9 C3 B4 B3 68.4(12) . . . . ?
B8 C3 B4 B3 104.6(10) . . . . ?
B1 C3 B4 B3 -2.9(9) . . . . ?
C2 C3 B4 B7 -98.4(9) . . . . ?
B9 C3 B4 B7 6.5(14) . . . . ?
B8 C3 B4 B7 42.8(11) . . . . ?
B1 C3 B4 B7 -64.8(10) . . . . ?
C2 C3 B4 B8 -141.1(10) . . . . ?
B9 C3 B4 B8 -36.2(11) . . . . ?
B1 C3 B4 B8 -107.5(10) . . . . ?
B2 B3 B4 C2 -33.2(7) . . . . ?
B7 B3 B4 C2 -131.4(11) . . . . ?
B6 B3 B4 C2 -96.6(9) . . . . ?
C2 B3 B4 C3 34.8(5) . . . . ?
B2 B3 B4 C3 1.6(9) . . . . ?
B7 B3 B4 C3 -96.6(11) . . . . ?
B6 B3 B4 C3 -61.8(9) . . . . ?
C2 B3 B4 B7 131.4(11) . . . . ?
B2 B3 B4 B7 98.2(11) . . . . ?
B6 B3 B4 B7 34.8(11) . . . . ?
C2 B3 B4 B8 94.6(12) . . . . ?
B2 B3 B4 B8 61.5(12) . . . . ?
B7 B3 B4 B8 -36.7(13) . . . . ?
B6 B3 B4 B8 -1.9(14) . . . . ?
O2 C4 C5 B13 -3.7(13) . . . . ?
O1 C4 C5 B13 173.9(10) . . . . ?
O2 C4 C5 B12 68.8(13) . . . . ?
O1 C4 C5 B12 -113.7(11) . . . . ?
O2 C4 C5 C6 -145.4(9) . . . . ?
O1 C4 C5 C6 32.1(11) . . . . ?
O2 C4 C5 B14 -74.3(11) . . . . ?
O1 C4 C5 B14 103.2(9) . . . . ?
O2 C4 C5 B11 140.6(9) . . . . ?
O1 C4 C5 B11 -41.9(11) . . . . ?
C3 B1 B5 B6 -64.2(13) . . . . ?
C2 B1 B5 B6 -6.2(15) . . . . ?
B2 B1 B5 B6 35.4(10) . . . . ?
B9 B1 B5 B6 -100.8(15) . . . . ?
C3 B1 B5 B9 36.6(11) . . . . ?
C2 B1 B5 B9 94.6(12) . . . . ?
B2 B1 B5 B9 136.2(13) . . . . ?
C3 B1 B5 B2 -99.6(9) . . . . ?
C2 B1 B5 B2 -41.6(9) . . . . ?
B9 B1 B5 B2 -136.2(13) . . . . ?
C3 B1 B5 B10 0.1(11) . . . . ?
C2 B1 B5 B10 58.1(12) . . . . ?
B2 B1 B5 B10 99.7(10) . . . . ?
B9 B1 B5 B10 -36.5(12) . . . . ?
C2 B2 B5 B6 -99.6(9) . . . . ?
B3 B2 B5 B6 -38.7(8) . . . . ?
B1 B2 B5 B6 -140.1(11) . . . . ?
C2 B2 B5 B9 0.7(15) . . . . ?
B6 B2 B5 B9 100.4(15) . . . . ?
B3 B2 B5 B9 61.7(14) . . . . ?
B1 B2 B5 B9 -39.7(12) . . . . ?
C2 B2 B5 B1 40.4(9) . . . . ?
B6 B2 B5 B1 140.1(11) . . . . ?
B3 B2 B5 B1 101.3(10) . . . . ?
C2 B2 B5 B10 -61.1(10) . . . . ?
B6 B2 B5 B10 38.5(8) . . . . ?
B3 B2 B5 B10 -0.2(10) . . . . ?
B1 B2 B5 B10 -101.5(11) . . . . ?
C4 C5 C6 B15 -153.1(8) . . . . ?
B13 C5 C6 B15 62.7(11) . . . . ?
B12 C5 C6 B15 -6.3(11) . . . . ?
B14 C5 C6 B15 103.1(8) . . . . ?
B11 C5 C6 B15 -42.4(7) . . . . ?
C4 C5 C6 B14 103.8(9) . . . . ?
B13 C5 C6 B14 -40.4(9) . . . . ?
B12 C5 C6 B14 -109.5(10) . . . . ?
B11 C5 C6 B14 -145.5(8) . . . . ?
C4 C5 C6 B11 -110.8(9) . . . . ?
B13 C5 C6 B11 105.1(9) . . . . ?
B12 C5 C6 B11 36.0(10) . . . . ?
B14 C5 C6 B11 145.5(8) . . . . ?
C4 C5 C6 B19 144.9(8) . . . . ?
B13 C5 C6 B19 0.7(11) . . . . ?
B12 C5 C6 B19 -68.3(11) . . . . ?
B14 C5 C6 B19 41.1(8) . . . . ?
B11 C5 C6 B19 -104.3(8) . . . . ?
C2 B2 B6 B7 -1.7(12) . . . . ?
B3 B2 B6 B7 38.4(10) . . . . ?
B1 B2 B6 B7 -62.8(12) . . . . ?
B5 B2 B6 B7 -98.3(11) . . . . ?
C2 B2 B6 B5 96.6(9) . . . . ?
B3 B2 B6 B5 136.6(9) . . . . ?
B1 B2 B6 B5 35.5(9) . . . . ?
C2 B2 B6 B3 -40.1(6) . . . . ?
B1 B2 B6 B3 -101.1(9) . . . . ?
B5 B2 B6 B3 -136.6(9) . . . . ?
C2 B2 B6 B10 57.6(12) . . . . ?
B3 B2 B6 B10 97.6(11) . . . . ?
B1 B2 B6 B10 -3.5(13) . . . . ?
B5 B2 B6 B10 -39.0(11) . . . . ?
B9 B5 B6 B7 1.4(11) . . . . ?
B1 B5 B6 B7 66.4(13) . . . . ?
B2 B5 B6 B7 101.9(8) . . . . ?
B10 B5 B6 B7 -35.2(8) . . . . ?
B9 B5 B6 B2 -100.4(8) . . . . ?
B1 B5 B6 B2 -35.5(10) . . . . ?
B10 B5 B6 B2 -137.0(9) . . . . ?
B9 B5 B6 B3 -61.8(12) . . . . ?
B1 B5 B6 B3 3.1(15) . . . . ?
B2 B5 B6 B3 38.6(9) . . . . ?
B10 B5 B6 B3 -98.4(10) . . . . ?
B9 B5 B6 B10 36.6(9) . . . . ?
B1 B5 B6 B10 101.5(12) . . . . ?
B2 B5 B6 B10 137.0(9) . . . . ?
C2 B3 B6 B7 -96.4(10) . . . . ?
B4 B3 B6 B7 -35.4(10) . . . . ?
B2 B3 B6 B7 -137.0(10) . . . . ?
C2 B3 B6 B2 40.6(7) . . . . ?
B4 B3 B6 B2 101.6(9) . . . . ?
B7 B3 B6 B2 137.0(10) . . . . ?
C2 B3 B6 B5 1.2(12) . . . . ?
B4 B3 B6 B5 62.2(13) . . . . ?
B2 B3 B6 B5 -39.4(10) . . . . ?
B7 B3 B6 B5 97.7(12) . . . . ?
C2 B3 B6 B10 -62.5(12) . . . . ?
B4 B3 B6 B10 -1.5(13) . . . . ?
B2 B3 B6 B10 -103.2(11) . . . . ?
B7 B3 B6 B10 33.9(11) . . . . ?
B2 B6 B7 B10 101.6(9) . . . . ?
B5 B6 B7 B10 37.3(8) . . . . ?
B3 B6 B7 B10 139.7(9) . . . . ?
B2 B6 B7 B3 -38.1(9) . . . . ?
B5 B6 B7 B3 -102.4(9) . . . . ?
B10 B6 B7 B3 -139.7(9) . . . . ?
B2 B6 B7 B4 -2.5(16) . . . . ?
B5 B6 B7 B4 -66.8(14) . . . . ?
B3 B6 B7 B4 35.6(11) . . . . ?
B10 B6 B7 B4 -104.1(14) . . . . ?
B2 B6 B7 B8 62.4(11) . . . . ?
B5 B6 B7 B8 -1.9(11) . . . . ?
B3 B6 B7 B8 100.5(8) . . . . ?
B10 B6 B7 B8 -39.2(9) . . . . ?
C2 B3 B7 B10 60.6(12) . . . . ?
B4 B3 B7 B10 101.5(13) . . . . ?
B2 B3 B7 B10 -1.4(13) . . . . ?
B6 B3 B7 B10 -39.1(9) . . . . ?
C2 B3 B7 B6 99.7(9) . . . . ?
B4 B3 B7 B6 140.7(11) . . . . ?
B2 B3 B7 B6 37.8(8) . . . . ?
C2 B3 B7 B4 -40.9(9) . . . . ?
B2 B3 B7 B4 -102.9(10) . . . . ?
B6 B3 B7 B4 -140.7(11) . . . . ?
C2 B3 B7 B8 -4.7(17) . . . . ?
B4 B3 B7 B8 36.3(13) . . . . ?
B2 B3 B7 B8 -66.6(16) . . . . ?
B6 B3 B7 B8 -104.4(16) . . . . ?
C2 B4 B7 B10 -63.3(15) . . . . ?
C3 B4 B7 B10 -6.0(15) . . . . ?
B3 B4 B7 B10 -105.0(14) . . . . ?
B8 B4 B7 B10 34.8(14) . . . . ?
C2 B4 B7 B6 5.7(16) . . . . ?
C3 B4 B7 B6 63.0(14) . . . . ?
B3 B4 B7 B6 -36.1(10) . . . . ?
B8 B4 B7 B6 103.8(16) . . . . ?
C2 B4 B7 B3 41.8(9) . . . . ?
C3 B4 B7 B3 99.1(9) . . . . ?
B8 B4 B7 B3 139.9(14) . . . . ?
C2 B4 B7 B8 -98.1(13) . . . . ?
C3 B4 B7 B8 -40.8(12) . . . . ?
B3 B4 B7 B8 -139.9(14) . . . . ?
C2 C3 B8 B9 -104.5(11) . . . . ?
B1 C3 B8 B9 -35.6(11) . . . . ?
B4 C3 B8 B9 -140.9(10) . . . . ?
C2 C3 B8 B10 -62.7(17) . . . . ?
B9 C3 B8 B10 41.7(11) . . . . ?
B1 C3 B8 B10 6.2(17) . . . . ?
B4 C3 B8 B10 -99.1(13) . . . . ?
C2 C3 B8 B4 36.4(10) . . . . ?
B9 C3 B8 B4 140.9(10) . . . . ?
B1 C3 B8 B4 105.3(10) . . . . ?
C2 C3 B8 B7 -5.2(18) . . . . ?
B9 C3 B8 B7 99.2(14) . . . . ?
B1 C3 B8 B7 63.7(18) . . . . ?
B4 C3 B8 B7 -41.6(13) . . . . ?
C2 B4 B8 B9 2.6(12) . . . . ?
C3 B4 B8 B9 34.8(9) . . . . ?
B3 B4 B8 B9 -59.5(13) . . . . ?
B7 B4 B8 B9 -95.9(13) . . . . ?
C2 B4 B8 C3 -32.2(8) . . . . ?
B3 B4 B8 C3 -94.3(9) . . . . ?
B7 B4 B8 C3 -130.7(13) . . . . ?
C2 B4 B8 B10 66.8(15) . . . . ?
C3 B4 B8 B10 99.0(16) . . . . ?
B3 B4 B8 B10 4.7(18) . . . . ?
B7 B4 B8 B10 -31.7(13) . . . . ?
C2 B4 B8 B7 98.5(12) . . . . ?
C3 B4 B8 B7 130.7(13) . . . . ?
B3 B4 B8 B7 36.4(12) . . . . ?
B10 B7 B8 B9 -39.1(11) . . . . ?
B6 B7 B8 B9 1.7(12) . . . . ?
B3 B7 B8 B9 67.0(15) . . . . ?
B4 B7 B8 B9 103.1(10) . . . . ?
B10 B7 B8 C3 -100.1(17) . . . . ?
B6 B7 B8 C3 -59.3(15) . . . . ?
B3 B7 B8 C3 6(2) . . . . ?
B4 B7 B8 C3 42.1(11) . . . . ?
B6 B7 B8 B10 40.8(10) . . . . ?
B3 B7 B8 B10 106.1(15) . . . . ?
B4 B7 B8 B10 142.2(13) . . . . ?
B10 B7 B8 B4 -142.2(13) . . . . ?
B6 B7 B8 B4 -101.4(10) . . . . ?
B3 B7 B8 B4 -36.1(12) . . . . ?
C2 C3 B9 B8 103.7(12) . . . . ?
B1 C3 B9 B8 144.5(10) . . . . ?
B4 C3 B9 B8 37.4(11) . . . . ?
C2 C3 B9 B10 61.6(18) . . . . ?
B8 C3 B9 B10 -42.1(12) . . . . ?
B1 C3 B9 B10 102.4(13) . . . . ?
B4 C3 B9 B10 -4.8(17) . . . . ?
C2 C3 B9 B5 -2.8(18) . . . . ?
B8 C3 B9 B5 -106.5(14) . . . . ?
B1 C3 B9 B5 38.0(12) . . . . ?
B4 C3 B9 B5 -69.1(17) . . . . ?
C2 C3 B9 B1 -40.8(9) . . . . ?
B8 C3 B9 B1 -144.5(10) . . . . ?
B4 C3 B9 B1 -107.2(9) . . . . ?
B10 B8 B9 C3 -132.9(8) . . . . ?
B4 B8 B9 C3 -35.0(8) . . . . ?
B7 B8 B9 C3 -96.4(8) . . . . ?
C3 B8 B9 B10 132.9(8) . . . . ?
B4 B8 B9 B10 97.8(11) . . . . ?
B7 B8 B9 B10 36.5(8) . . . . ?
C3 B8 B9 B5 95.6(10) . . . . ?
B10 B8 B9 B5 -37.2(9) . . . . ?
B4 B8 B9 B5 60.6(13) . . . . ?
B7 B8 B9 B5 -0.7(12) . . . . ?
C3 B8 B9 B1 31.8(8) . . . . ?
B10 B8 B9 B1 -101.1(9) . . . . ?
B4 B8 B9 B1 -3.2(13) . . . . ?
B7 B8 B9 B1 -64.6(10) . . . . ?
B6 B5 B9 C3 63.5(16) . . . . ?
B1 B5 B9 C3 -37.6(11) . . . . ?
B2 B5 B9 C3 1.1(19) . . . . ?
B10 B5 B9 C3 101.0(16) . . . . ?
B6 B5 B9 B8 -0.4(13) . . . . ?
B1 B5 B9 B8 -101.5(10) . . . . ?
B2 B5 B9 B8 -62.8(15) . . . . ?
B10 B5 B9 B8 37.1(11) . . . . ?
B6 B5 B9 B10 -37.5(9) . . . . ?
B1 B5 B9 B10 -138.6(11) . . . . ?
B2 B5 B9 B10 -99.9(11) . . . . ?
B6 B5 B9 B1 101.1(9) . . . . ?
B2 B5 B9 B1 38.7(11) . . . . ?
B10 B5 B9 B1 138.6(11) . . . . ?
C2 B1 B9 C3 35.1(6) . . . . ?
B5 B1 B9 C3 136.2(11) . . . . ?
B2 B1 B9 C3 96.7(8) . . . . ?
C3 B1 B9 B8 -32.6(9) . . . . ?
C2 B1 B9 B8 2.5(11) . . . . ?
B5 B1 B9 B8 103.5(12) . . . . ?
B2 B1 B9 B8 64.1(12) . . . . ?
C3 B1 B9 B10 -98.2(16) . . . . ?
C2 B1 B9 B10 -63.1(14) . . . . ?
B5 B1 B9 B10 38.0(12) . . . . ?
B2 B1 B9 B10 -1.5(17) . . . . ?
C3 B1 B9 B5 -136.2(11) . . . . ?
C2 B1 B9 B5 -101.1(9) . . . . ?
B2 B1 B9 B5 -39.5(10) . . . . ?
B6 B7 B10 B9 -99.3(14) . . . . ?
B3 B7 B10 B9 -61.5(16) . . . . ?
B4 B7 B10 B9 3.4(18) . . . . ?
B8 B7 B10 B9 38.1(11) . . . . ?
B6 B7 B10 B8 -137.4(10) . . . . ?
B3 B7 B10 B8 -99.6(11) . . . . ?
B4 B7 B10 B8 -34.7(12) . . . . ?
B6 B7 B10 B5 -36.6(8) . . . . ?
B3 B7 B10 B5 1.2(13) . . . . ?
B4 B7 B10 B5 66.1(14) . . . . ?
B8 B7 B10 B5 100.9(10) . . . . ?
B3 B7 B10 B6 37.8(9) . . . . ?
B4 B7 B10 B6 102.7(11) . . . . ?
B8 B7 B10 B6 137.4(10) . . . . ?
C3 B9 B10 B7 0.8(19) . . . . ?
B8 B9 B10 B7 -41.0(13) . . . . ?
B5 B9 B10 B7 99.2(12) . . . . ?
B1 B9 B10 B7 62.3(18) . . . . ?
C3 B9 B10 B8 41.8(11) . . . . ?
B5 B9 B10 B8 140.3(9) . . . . ?
B1 B9 B10 B8 103.3(11) . . . . ?
C3 B9 B10 B5 -98.5(12) . . . . ?
B8 B9 B10 B5 -140.3(9) . . . . ?
B1 B9 B10 B5 -36.9(11) . . . . ?
C3 B9 B10 B6 -62.2(18) . . . . ?
B8 B9 B10 B6 -104.0(13) . . . . ?
B5 B9 B10 B6 36.3(10) . . . . ?
B1 B9 B10 B6 -0.6(18) . . . . ?
B9 B8 B10 B7 135.8(11) . . . . ?
C3 B8 B10 B7 95.0(13) . . . . ?
B4 B8 B10 B7 33.0(12) . . . . ?
C3 B8 B10 B9 -40.7(10) . . . . ?
B4 B8 B10 B9 -102.8(11) . . . . ?
B7 B8 B10 B9 -135.8(11) . . . . ?
B9 B8 B10 B5 35.2(11) . . . . ?
C3 B8 B10 B5 -5.6(17) . . . . ?
B4 B8 B10 B5 -67.6(16) . . . . ?
B7 B8 B10 B5 -100.6(10) . . . . ?
B9 B8 B10 B6 97.2(14) . . . . ?
C3 B8 B10 B6 56.4(19) . . . . ?
B4 B8 B10 B6 -6(2) . . . . ?
B7 B8 B10 B6 -38.6(12) . . . . ?
B6 B5 B10 B7 37.2(9) . . . . ?
B9 B5 B10 B7 -101.1(10) . . . . ?
B1 B5 B10 B7 -63.4(12) . . . . ?
B2 B5 B10 B7 -0.6(12) . . . . ?
B6 B5 B10 B9 138.3(9) . . . . ?
B1 B5 B10 B9 37.8(9) . . . . ?
B2 B5 B10 B9 100.5(8) . . . . ?
B6 B5 B10 B8 104.0(12) . . . . ?
B9 B5 B10 B8 -34.3(10) . . . . ?
B1 B5 B10 B8 3.5(14) . . . . ?
B2 B5 B10 B8 66.2(13) . . . . ?
B9 B5 B10 B6 -138.3(9) . . . . ?
B1 B5 B10 B6 -100.6(8) . . . . ?
B2 B5 B10 B6 -37.8(7) . . . . ?
B2 B6 B10 B7 -98.6(10) . . . . ?
B5 B6 B10 B7 -138.0(8) . . . . ?
B3 B6 B10 B7 -35.8(9) . . . . ?
B7 B6 B10 B9 101.2(13) . . . . ?
B2 B6 B10 B9 2.5(17) . . . . ?
B5 B6 B10 B9 -36.8(12) . . . . ?
B3 B6 B10 B9 65.4(16) . . . . ?
B7 B6 B10 B8 40.3(14) . . . . ?
B2 B6 B10 B8 -58.3(18) . . . . ?
B5 B6 B10 B8 -97.6(14) . . . . ?
B3 B6 B10 B8 4.6(18) . . . . ?
B7 B6 B10 B5 138.0(8) . . . . ?
B2 B6 B10 B5 39.3(9) . . . . ?
B3 B6 B10 B5 102.2(9) . . . . ?
C4 C5 B11 B16 -146.0(8) . . . . ?
B13 C5 B11 B16 0.0(12) . . . . ?
B12 C5 B11 B16 -40.9(9) . . . . ?
C6 C5 B11 B16 101.4(9) . . . . ?
B14 C5 B11 B16 68.4(11) . . . . ?
C4 C5 B11 C6 112.7(8) . . . . ?
B13 C5 B11 C6 -101.4(9) . . . . ?
B12 C5 B11 C6 -142.2(8) . . . . ?
B14 C5 B11 C6 -33.0(8) . . . . ?
C4 C5 B11 B12 -105.1(9) . . . . ?
B13 C5 B11 B12 40.8(9) . . . . ?
C6 C5 B11 B12 142.2(8) . . . . ?
B14 C5 B11 B12 109.2(9) . . . . ?
C4 C5 B11 B15 154.2(8) . . . . ?
B13 C5 B11 B15 -59.9(11) . . . . ?
B12 C5 B11 B15 -100.7(10) . . . . ?
C6 C5 B11 B15 41.5(7) . . . . ?
B14 C5 B11 B15 8.5(11) . . . . ?
B15 C6 B11 C5 131.4(8) . . . . ?
B14 C6 B11 C5 31.8(6) . . . . ?
B19 C6 B11 C5 97.7(7) . . . . ?
C5 C6 B11 B16 -97.4(10) . . . . ?
B15 C6 B11 B16 34.0(9) . . . . ?
B14 C6 B11 B16 -65.6(11) . . . . ?
B19 C6 B11 B16 0.3(12) . . . . ?
C5 C6 B11 B12 -32.8(6) . . . . ?
B15 C6 B11 B12 98.6(8) . . . . ?
B14 C6 B11 B12 -1.0(10) . . . . ?
B19 C6 B11 B12 64.9(9) . . . . ?
C5 C6 B11 B15 -131.4(8) . . . . ?
B14 C6 B11 B15 -99.6(8) . . . . ?
B19 C6 B11 B15 -33.7(8) . . . . ?
C4 C5 B12 B13 -109.1(7) . . . . ?
C6 C5 B12 B13 101.8(8) . . . . ?
B14 C5 B12 B13 33.5(8) . . . . ?
B11 C5 B12 B13 137.6(7) . . . . ?
C4 C5 B12 B11 113.3(7) . . . . ?
B13 C5 B12 B11 -137.6(7) . . . . ?
C6 C5 B12 B11 -35.8(8) . . . . ?
B14 C5 B12 B11 -104.1(9) . . . . ?
C4 C5 B12 B17 -144.1(9) . . . . ?
B13 C5 B12 B17 -35.0(10) . . . . ?
C6 C5 B12 B17 66.9(14) . . . . ?
B14 C5 B12 B17 -1.5(14) . . . . ?
B11 C5 B12 B17 102.6(10) . . . . ?
C4 C5 B12 B16 152.8(11) . . . . ?
B13 C5 B12 B16 -98.1(12) . . . . ?
C6 C5 B12 B16 3.7(15) . . . . ?
B14 C5 B12 B16 -64.7(15) . . . . ?
B11 C5 B12 B16 39.5(11) . . . . ?
B16 B11 B12 C5 134.0(12) . . . . ?
C6 B11 B12 C5 33.1(7) . . . . ?
B15 B11 B12 C5 95.4(8) . . . . ?
C5 B11 B12 B13 -35.2(6) . . . . ?
B16 B11 B12 B13 98.8(11) . . . . ?
C6 B11 B12 B13 -2.1(9) . . . . ?
B15 B11 B12 B13 60.3(9) . . . . ?
C5 B11 B12 B17 -96.5(13) . . . . ?
B16 B11 B12 B17 37.5(13) . . . . ?
C6 B11 B12 B17 -63.4(13) . . . . ?
B15 B11 B12 B17 -1.0(14) . . . . ?
C5 B11 B12 B16 -134.0(12) . . . . ?
C6 B11 B12 B16 -100.8(12) . . . . ?
B15 B11 B12 B16 -38.5(11) . . . . ?
C4 C5 B13 B18 -145.5(11) . . . . ?
B12 C5 B13 B18 107.2(13) . . . . ?
C6 C5 B13 B18 0.8(15) . . . . ?
B14 C5 B13 B18 -39.1(11) . . . . ?
B11 C5 B13 B18 67.1(15) . . . . ?
C4 C5 B13 B17 144.7(9) . . . . ?
B12 C5 B13 B17 37.4(10) . . . . ?
C6 C5 B13 B17 -69.1(13) . . . . ?
B14 C5 B13 B17 -109.0(10) . . . . ?
B11 C5 B13 B17 -2.7(13) . . . . ?
C4 C5 B13 B14 -106.3(8) . . . . ?
B12 C5 B13 B14 146.4(8) . . . . ?
C6 C5 B13 B14 39.9(8) . . . . ?
B11 C5 B13 B14 106.3(8) . . . . ?
C4 C5 B13 B12 107.3(9) . . . . ?
C6 C5 B13 B12 -106.4(8) . . . . ?
B14 C5 B13 B12 -146.4(8) . . . . ?
B11 C5 B13 B12 -40.1(8) . . . . ?
B11 B12 B13 C5 37.2(6) . . . . ?
B17 B12 B13 C5 139.5(9) . . . . ?
B16 B12 B13 C5 98.0(9) . . . . ?
C5 B12 B13 B18 -102.2(10) . . . . ?
B11 B12 B13 B18 -65.1(11) . . . . ?
B17 B12 B13 B18 37.3(11) . . . . ?
B16 B12 B13 B18 -4.3(13) . . . . ?
C5 B12 B13 B17 -139.5(9) . . . . ?
B11 B12 B13 B17 -102.3(9) . . . . ?
B16 B12 B13 B17 -41.5(9) . . . . ?
C5 B12 B13 B14 -32.5(7) . . . . ?
B11 B12 B13 B14 4.6(10) . . . . ?
B17 B12 B13 B14 107.0(9) . . . . ?
B16 B12 B13 B14 65.5(10) . . . . ?
C4 C5 B14 B13 108.8(7) . . . . ?
B12 C5 B14 B13 -33.9(9) . . . . ?
C6 C5 B14 B13 -136.6(8) . . . . ?
B11 C5 B14 B13 -103.6(8) . . . . ?
C4 C5 B14 C6 -114.7(7) . . . . ?
B13 C5 B14 C6 136.6(8) . . . . ?
B12 C5 B14 C6 102.6(10) . . . . ?
B11 C5 B14 C6 33.0(8) . . . . ?
C4 C5 B14 B18 143.8(7) . . . . ?
B13 C5 B14 B18 35.0(8) . . . . ?
B12 C5 B14 B18 1.1(12) . . . . ?
C6 C5 B14 B18 -101.5(8) . . . . ?
B11 C5 B14 B18 -68.5(10) . . . . ?
C4 C5 B14 B19 -154.8(7) . . . . ?
B13 C5 B14 B19 96.5(9) . . . . ?
B12 C5 B14 B19 62.5(12) . . . . ?
C6 C5 B14 B19 -40.1(8) . . . . ?
B11 C5 B14 B19 -7.1(12) . . . . ?
B18 B13 B14 C5 138.8(9) . . . . ?
B17 B13 B14 C5 100.3(13) . . . . ?
B12 B13 B14 C5 31.9(7) . . . . ?
C5 B13 B14 C6 -37.0(6) . . . . ?
B18 B13 B14 C6 101.8(9) . . . . ?
B17 B13 B14 C6 63.3(13) . . . . ?
B12 B13 B14 C6 -5.1(9) . . . . ?
C5 B13 B14 B18 -138.8(9) . . . . ?
B17 B13 B14 B18 -38.4(11) . . . . ?
B12 B13 B14 B18 -106.9(10) . . . . ?
C5 B13 B14 B19 -98.6(7) . . . . ?
B18 B13 B14 B19 40.2(9) . . . . ?
B17 B13 B14 B19 1.8(14) . . . . ?
B12 B13 B14 B19 -66.7(9) . . . . ?
B15 C6 B14 C5 -96.5(8) . . . . ?
B11 C6 B14 C5 -31.9(7) . . . . ?
B19 C6 B14 C5 -133.9(8) . . . . ?
C5 C6 B14 B13 35.5(6) . . . . ?
B15 C6 B14 B13 -61.1(9) . . . . ?
B11 C6 B14 B13 3.6(9) . . . . ?
B19 C6 B14 B13 -98.4(8) . . . . ?
C5 C6 B14 B18 95.5(11) . . . . ?
B15 C6 B14 B18 -1.1(13) . . . . ?
B11 C6 B14 B18 63.6(12) . . . . ?
B19 C6 B14 B18 -38.4(10) . . . . ?
C5 C6 B14 B19 133.9(8) . . . . ?
B15 C6 B14 B19 37.3(8) . . . . ?
B11 C6 B14 B19 102.0(8) . . . . ?
C5 C6 B15 B16 6.5(13) . . . . ?
B14 C6 B15 B16 69.2(13) . . . . ?
B11 C6 B15 B16 -35.6(11) . . . . ?
B19 C6 B15 B16 107.2(12) . . . . ?
C5 C6 B15 B19 -100.7(8) . . . . ?
B14 C6 B15 B19 -38.0(8) . . . . ?
B11 C6 B15 B19 -142.8(9) . . . . ?
C5 C6 B15 B20 -61.1(10) . . . . ?
B14 C6 B15 B20 1.6(12) . . . . ?
B11 C6 B15 B20 -103.2(10) . . . . ?
B19 C6 B15 B20 39.6(8) . . . . ?
C5 C6 B15 B11 42.1(7) . . . . ?
B14 C6 B15 B11 104.8(9) . . . . ?
B19 C6 B15 B11 142.8(9) . . . . ?
C5 B11 B15 B16 99.9(13) . . . . ?
C6 B11 B15 B16 140.9(12) . . . . ?
B12 B11 B15 B16 40.2(13) . . . . ?
C5 B11 B15 B19 -6.6(11) . . . . ?
B16 B11 B15 B19 -106.6(13) . . . . ?
C6 B11 B15 B19 34.3(8) . . . . ?
B12 B11 B15 B19 -66.4(11) . . . . ?
C5 B11 B15 C6 -41.0(7) . . . . ?
B16 B11 B15 C6 -140.9(12) . . . . ?
B12 B11 B15 C6 -100.7(9) . . . . ?
C5 B11 B15 B20 60.5(10) . . . . ?
B16 B11 B15 B20 -39.4(12) . . . . ?
C6 B11 B15 B20 101.5(9) . . . . ?
B12 B11 B15 B20 0.8(12) . . . . ?
B19 B15 B16 B11 101.3(9) . . . . ?
C6 B15 B16 B11 35.5(10) . . . . ?
B20 B15 B16 B11 138.3(11) . . . . ?
B19 B15 B16 B12 61.3(15) . . . . ?
C6 B15 B16 B12 -4.5(17) . . . . ?
B20 B15 B16 B12 98.4(15) . . . . ?
B11 B15 B16 B12 -40.0(11) . . . . ?
B19 B15 B16 B17 -0.4(10) . . . . ?
C6 B15 B16 B17 -66.2(11) . . . . ?
B20 B15 B16 B17 36.6(8) . . . . ?
B11 B15 B16 B17 -101.7(9) . . . . ?
B19 B15 B16 B20 -37.1(8) . . . . ?
C6 B15 B16 B20 -102.9(9) . . . . ?
B11 B15 B16 B20 -138.3(11) . . . . ?
C5 B11 B16 B15 -95.9(9) . . . . ?
C6 B11 B16 B15 -34.7(10) . . . . ?
B12 B11 B16 B15 -135.0(13) . . . . ?
C5 B11 B16 B12 39.1(10) . . . . ?
C6 B11 B16 B12 100.3(11) . . . . ?
B15 B11 B16 B12 135.0(13) . . . . ?
C5 B11 B16 B17 2.6(13) . . . . ?
C6 B11 B16 B17 63.8(12) . . . . ?
B12 B11 B16 B17 -36.5(11) . . . . ?
B15 B11 B16 B17 98.5(14) . . . . ?
C5 B11 B16 B20 -58.2(12) . . . . ?
C6 B11 B16 B20 2.9(14) . . . . ?
B12 B11 B16 B20 -97.4(15) . . . . ?
B15 B11 B16 B20 37.6(8) . . . . ?
C5 B12 B16 B15 0.6(18) . . . . ?
B13 B12 B16 B15 -57.3(15) . . . . ?
B11 B12 B16 B15 40.8(11) . . . . ?
B17 B12 B16 B15 -97.7(15) . . . . ?
C5 B12 B16 B11 -40.2(10) . . . . ?
B13 B12 B16 B11 -98.1(9) . . . . ?
B17 B12 B16 B11 -138.5(12) . . . . ?
C5 B12 B16 B17 98.3(13) . . . . ?
B13 B12 B16 B17 40.4(10) . . . . ?
B11 B12 B16 B17 138.5(12) . . . . ?
C5 B12 B16 B20 63.5(13) . . . . ?
B13 B12 B16 B20 5.6(12) . . . . ?
B11 B12 B16 B20 103.7(11) . . . . ?
B17 B12 B16 B20 -34.8(10) . . . . ?
C5 B13 B17 B20 67.9(16) . . . . ?
B18 B13 B17 B20 -37.7(10) . . . . ?
B14 B13 B17 B20 -0.1(17) . . . . ?
B12 B13 B17 B20 104.9(14) . . . . ?
C5 B13 B17 B12 -37.0(9) . . . . ?
B18 B13 B17 B12 -142.6(10) . . . . ?
B14 B13 B17 B12 -105.0(10) . . . . ?
C5 B13 B17 B16 4.2(15) . . . . ?
B18 B13 B17 B16 -101.5(11) . . . . ?
B14 B13 B17 B16 -63.8(15) . . . . ?
B12 B13 B17 B16 41.2(11) . . . . ?
C5 B13 B17 B18 105.6(11) . . . . ?
B14 B13 B17 B18 37.6(11) . . . . ?
B12 B13 B17 B18 142.6(10) . . . . ?
C5 B12 B17 B13 33.7(8) . . . . ?
B11 B12 B17 B13 96.4(10) . . . . ?
B16 B12 B17 B13 132.9(10) . . . . ?
C5 B12 B17 B20 -61.7(16) . . . . ?
B13 B12 B17 B20 -95.4(13) . . . . ?
B11 B12 B17 B20 1.0(18) . . . . ?
B16 B12 B17 B20 37.5(13) . . . . ?
C5 B12 B17 B16 -99.2(11) . . . . ?
B13 B12 B17 B16 -132.9(10) . . . . ?
B11 B12 B17 B16 -36.5(11) . . . . ?
C5 B12 B17 B18 1.2(15) . . . . ?
B13 B12 B17 B18 -32.4(10) . . . . ?
B11 B12 B17 B18 64.0(15) . . . . ?
B16 B12 B17 B18 100.4(12) . . . . ?
B15 B16 B17 B13 60.5(12) . . . . ?
B11 B16 B17 B13 -4.1(15) . . . . ?
B12 B16 B17 B13 -41.0(10) . . . . ?
B20 B16 B17 B13 98.3(12) . . . . ?
B15 B16 B17 B20 -37.8(8) . . . . ?
B11 B16 B17 B20 -102.4(12) . . . . ?
B12 B16 B17 B20 -139.4(11) . . . . ?
B15 B16 B17 B12 101.5(10) . . . . ?
B11 B16 B17 B12 37.0(10) . . . . ?
B20 B16 B17 B12 139.4(11) . . . . ?
B15 B16 B17 B18 0.7(10) . . . . ?
B11 B16 B17 B18 -63.9(12) . . . . ?
B12 B16 B17 B18 -100.9(10) . . . . ?
B20 B16 B17 B18 38.5(8) . . . . ?
C5 B13 B18 B20 -65.7(15) . . . . ?
B17 B13 B18 B20 36.9(10) . . . . ?
B14 B13 B18 B20 -104.7(10) . . . . ?
B12 B13 B18 B20 0.9(14) . . . . ?
C5 B13 B18 B19 -1.9(17) . . . . ?
B17 B13 B18 B19 100.7(12) . . . . ?
B14 B13 B18 B19 -40.9(10) . . . . ?
B12 B13 B18 B19 64.6(15) . . . . ?
C5 B13 B18 B14 39.0(10) . . . . ?
B17 B13 B18 B14 141.6(10) . . . . ?
B12 B13 B18 B14 105.6(9) . . . . ?
C5 B13 B18 B17 -102.6(14) . . . . ?
B14 B13 B18 B17 -141.6(10) . . . . ?
B12 B13 B18 B17 -36.0(12) . . . . ?
C5 B14 B18 B13 -33.9(8) . . . . ?
C6 B14 B18 B13 -94.7(10) . . . . ?
B19 B14 B18 B13 -133.3(11) . . . . ?
C5 B14 B18 B20 61.1(14) . . . . ?
B13 B14 B18 B20 94.9(14) . . . . ?
C6 B14 B18 B20 0.2(16) . . . . ?
B19 B14 B18 B20 -38.4(10) . . . . ?
C5 B14 B18 B19 99.4(9) . . . . ?
B13 B14 B18 B19 133.3(11) . . . . ?
C6 B14 B18 B19 38.6(10) . . . . ?
C5 B14 B18 B17 -0.2(12) . . . . ?
B13 B14 B18 B17 33.7(10) . . . . ?
C6 B14 B18 B17 -61.0(13) . . . . ?
B19 B14 B18 B17 -99.6(11) . . . . ?
B20 B17 B18 B13 136.4(10) . . . . ?
B12 B17 B18 B13 33.5(9) . . . . ?
B16 B17 B18 B13 96.9(9) . . . . ?
B13 B17 B18 B20 -136.4(10) . . . . ?
B12 B17 B18 B20 -102.9(13) . . . . ?
B16 B17 B18 B20 -39.5(8) . . . . ?
B13 B17 B18 B19 -97.6(8) . . . . ?
B20 B17 B18 B19 38.8(8) . . . . ?
B12 B17 B18 B19 -64.1(12) . . . . ?
B16 B17 B18 B19 -0.7(10) . . . . ?
B13 B17 B18 B14 -34.1(9) . . . . ?
B20 B17 B18 B14 102.3(10) . . . . ?
B12 B17 B18 B14 -0.7(15) . . . . ?
B16 B17 B18 B14 62.8(11) . . . . ?
B16 B15 B19 C6 -99.9(8) . . . . ?
B20 B15 B19 C6 -137.4(8) . . . . ?
B11 B15 B19 C6 -34.1(8) . . . . ?
B16 B15 B19 B18 -0.1(10) . . . . ?
C6 B15 B19 B18 99.9(8) . . . . ?
B20 B15 B19 B18 -37.5(7) . . . . ?
B11 B15 B19 B18 65.8(10) . . . . ?
B16 B15 B19 B14 -63.1(11) . . . . ?
C6 B15 B19 B14 36.8(8) . . . . ?
B20 B15 B19 B14 -100.6(9) . . . . ?
B11 B15 B19 B14 2.7(12) . . . . ?
B16 B15 B19 B20 37.4(8) . . . . ?
C6 B15 B19 B20 137.4(8) . . . . ?
B11 B15 B19 B20 103.3(9) . . . . ?
C5 C6 B19 B15 97.6(8) . . . . ?
B14 C6 B19 B15 138.1(9) . . . . ?
B11 C6 B19 B15 34.1(8) . . . . ?
C5 C6 B19 B18 -1.9(12) . . . . ?
B15 C6 B19 B18 -99.4(11) . . . . ?
B14 C6 B19 B18 38.7(11) . . . . ?
B11 C6 B19 B18 -65.4(11) . . . . ?
C5 C6 B19 B14 -40.6(8) . . . . ?
B15 C6 B19 B14 -138.1(9) . . . . ?
B11 C6 B19 B14 -104.1(9) . . . . ?
C5 C6 B19 B20 60.1(9) . . . . ?
B15 C6 B19 B20 -37.5(8) . . . . ?
B14 C6 B19 B20 100.7(10) . . . . ?
B11 C6 B19 B20 -3.4(10) . . . . ?
B13 B18 B19 B15 -60.3(13) . . . . ?
B20 B18 B19 B15 37.5(8) . . . . ?
B14 B18 B19 B15 -100.8(9) . . . . ?
B17 B18 B19 B15 0.5(10) . . . . ?
B13 B18 B19 C6 2.3(15) . . . . ?
B20 B18 B19 C6 100.1(9) . . . . ?
B14 B18 B19 C6 -38.2(9) . . . . ?
B17 B18 B19 C6 63.0(10) . . . . ?
B13 B18 B19 B14 40.5(10) . . . . ?
B20 B18 B19 B14 138.3(10) . . . . ?
B17 B18 B19 B14 101.2(9) . . . . ?
B13 B18 B19 B20 -97.8(14) . . . . ?
B14 B18 B19 B20 -138.3(10) . . . . ?
B17 B18 B19 B20 -37.0(8) . . . . ?
C5 B14 B19 B15 2.4(11) . . . . ?
B13 B14 B19 B15 59.7(10) . . . . ?
C6 B14 B19 B15 -37.1(8) . . . . ?
B18 B14 B19 B15 99.2(11) . . . . ?
C5 B14 B19 C6 39.6(7) . . . . ?
B13 B14 B19 C6 96.8(8) . . . . ?
B18 B14 B19 C6 136.3(12) . . . . ?
C5 B14 B19 B18 -96.7(12) . . . . ?
B13 B14 B19 B18 -39.4(11) . . . . ?
C6 B14 B19 B18 -136.3(12) . . . . ?
C5 B14 B19 B20 -59.9(11) . . . . ?
B13 B14 B19 B20 -2.6(10) . . . . ?
C6 B14 B19 B20 -99.5(9) . . . . ?
B18 B14 B19 B20 36.8(10) . . . . ?
B13 B17 B20 B15 -63.2(16) . . . . ?
B12 B17 B20 B15 -0.5(17) . . . . ?
B16 B17 B20 B15 36.4(9) . . . . ?
B18 B17 B20 B15 -99.9(10) . . . . ?
B13 B17 B20 B18 36.7(10) . . . . ?
B12 B17 B20 B18 99.5(12) . . . . ?
B16 B17 B20 B18 136.3(9) . . . . ?
B13 B17 B20 B19 -1.7(16) . . . . ?
B12 B17 B20 B19 61.0(17) . . . . ?
B16 B17 B20 B19 97.9(10) . . . . ?
B18 B17 B20 B19 -38.4(10) . . . . ?
B13 B17 B20 B16 -99.6(12) . . . . ?
B12 B17 B20 B16 -36.9(13) . . . . ?
B18 B17 B20 B16 -136.3(9) . . . . ?
B16 B15 B20 B17 -38.4(11) . . . . ?
B19 B15 B20 B17 103.2(11) . . . . ?
C6 B15 B20 B17 64.3(13) . . . . ?
B11 B15 B20 B17 -0.2(14) . . . . ?
B16 B15 B20 B18 -104.1(12) . . . . ?
B19 B15 B20 B18 37.5(10) . . . . ?
C6 B15 B20 B18 -1.4(13) . . . . ?
B11 B15 B20 B18 -65.9(13) . . . . ?
B16 B15 B20 B19 -141.6(9) . . . . ?
C6 B15 B20 B19 -38.9(7) . . . . ?
B11 B15 B20 B19 -103.4(8) . . . . ?
B19 B15 B20 B16 141.6(9) . . . . ?
C6 B15 B20 B16 102.7(10) . . . . ?
B11 B15 B20 B16 38.2(9) . . . . ?
B13 B18 B20 B17 -37.1(10) . . . . ?
B19 B18 B20 B17 -137.0(9) . . . . ?
B14 B18 B20 B17 -99.2(13) . . . . ?
B13 B18 B20 B15 62.8(13) . . . . ?
B19 B18 B20 B15 -37.1(9) . . . . ?
B14 B18 B20 B15 0.7(16) . . . . ?
B17 B18 B20 B15 99.9(10) . . . . ?
B13 B18 B20 B19 99.9(9) . . . . ?
B14 B18 B20 B19 37.8(11) . . . . ?
B17 B18 B20 B19 137.0(9) . . . . ?
B13 B18 B20 B16 2.9(14) . . . . ?
B19 B18 B20 B16 -96.9(10) . . . . ?
B14 B18 B20 B16 -59.1(16) . . . . ?
B17 B18 B20 B16 40.1(10) . . . . ?
B15 B19 B20 B17 -97.1(12) . . . . ?
C6 B19 B20 B17 -59.4(13) . . . . ?
B18 B19 B20 B17 40.0(11) . . . . ?
B14 B19 B20 B17 2.8(14) . . . . ?
C6 B19 B20 B15 37.7(7) . . . . ?
B18 B19 B20 B15 137.1(9) . . . . ?
B14 B19 B20 B15 99.8(8) . . . . ?
B15 B19 B20 B18 -137.1(9) . . . . ?
C6 B19 B20 B18 -99.4(9) . . . . ?
B14 B19 B20 B18 -37.2(9) . . . . ?
B15 B19 B20 B16 -32.7(9) . . . . ?
C6 B19 B20 B16 5.0(11) . . . . ?
B18 B19 B20 B16 104.4(11) . . . . ?
B14 B19 B20 B16 67.1(11) . . . . ?
B15 B16 B20 B17 136.9(10) . . . . ?
B11 B16 B20 B17 98.6(12) . . . . ?
B12 B16 B20 B17 35.4(9) . . . . ?
B11 B16 B20 B15 -38.4(9) . . . . ?
B12 B16 B20 B15 -101.5(9) . . . . ?
B17 B16 B20 B15 -136.9(10) . . . . ?
B15 B16 B20 B18 96.0(11) . . . . ?
B11 B16 B20 B18 57.7(14) . . . . ?
B12 B16 B20 B18 -5.5(13) . . . . ?
B17 B16 B20 B18 -40.9(10) . . . . ?
B15 B16 B20 B19 33.4(8) . . . . ?
B11 B16 B20 B19 -4.9(14) . . . . ?
B12 B16 B20 B19 -68.1(11) . . . . ?
B17 B16 B20 B19 -103.5(9) . . . . ?
C11 N1 C7 C8 -0.2(16) . . . . ?
Cu1 N1 C7 C8 -171.1(10) . . . . ?
N1 C7 C8 C9 1(2) . . . . ?
C7 C8 C9 C10 -2(2) . . . . ?
C8 C9 C10 C11 1.8(19) . . . . ?
C7 N1 C11 C10 0.0(14) . . . . ?
Cu1 N1 C11 C10 171.2(8) . . . . ?
C9 C10 C11 N1 -0.8(17) . . . . ?
C116 N2 C12 C13 1(2) . . . . ?
Cu1 N2 C12 C13 -174.0(11) . . . . ?
N2 C12 C13 C14 -2(2) . . . . ?
C12 C13 C14 C15 5(3) . . . . ?
C13 C14 C15 C116 -6(3) . . . . ?
C12 N2 C116 C15 -2(2) . . . . ?
Cu1 N2 C116 C15 172.7(14) . . . . ?
C14 C15 C116 N2 5(3) . . . . ?

_refine_diff_density_max         3.611
_refine_diff_density_min         -0.992
_refine_diff_density_rms         0.204

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mfcl334verds
_database_code_depnum_ccdc_archive 'CCDC 1034199'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H54 B40 Cu2 N2 O8'
_chemical_formula_sum            'C22 H54 B40 Cu2 N2 O8'
_chemical_formula_weight         1034.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

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

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

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

_cell_length_a                   10.4393(18)
_cell_length_b                   13.510(2)
_cell_length_c                   22.149(3)
_cell_angle_alpha                90
_cell_angle_beta                 117.380(6)
_cell_angle_gamma                90
_cell_volume                     2773.8(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4353
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      18.48

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_F_000             1044
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.808
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.841743
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   'SADABS v2.10 BRUKER 2001'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42908
_diffrn_reflns_av_unetI/netI     0.0629
_diffrn_reflns_av_R_equivalents  0.0664
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.829
_diffrn_reflns_theta_max         28.339
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6841
_reflns_number_gt                3788
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.1929P)²+1.0847P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6841
_refine_ls_number_parameters     310
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1492
_refine_ls_R_factor_gt           0.0920
_refine_ls_wR_factor_ref         0.3179
_refine_ls_wR_factor_gt          0.2735
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.04831(6) 0.44157(4) -0.03558(3) 0.0569(3) Uani 1 1 d . . . . .
O1 O 0.2228(4) 0.4369(3) 0.0523(2) 0.0752(11) Uani 1 1 d . . . . .
C1 C 0.2362(5) 0.4783(4) 0.1042(3) 0.0615(12) Uani 1 1 d . . . . .
B1 B 0.3717(12) 0.4603(15) 0.2410(5) 0.155(7) Uani 1 1 d . . . . .
H1 H 0.2717 0.4640 0.2460 0.233 Uiso 1 1 calc R U . . .
O2 O 0.1439(4) 0.5320(3) 0.1101(2) 0.0855(12) Uani 1 1 d . . . . .
O3 O -0.0342(5) 0.3357(3) -0.0029(3) 0.0907(14) Uani 1 1 d . . . . .
O4 O 0.1147(5) 0.5679(3) -0.0555(2) 0.0767(11) Uani 1 1 d . . . . .
C2 C 0.3780(6) 0.4651(4) 0.1681(3) 0.0631(13) Uani 1 1 d . . . . .
C3 C 0.4402(12) 0.5575(8) 0.2196(6) 0.170(7) Uani 1 1 d . . . . .
H3A H 0.3825 0.6286 0.2089 0.254 Uiso 1 1 calc R U . . .
B2 B 0.4115(13) 0.3581(11) 0.2069(7) 0.166(5) Uani 1 1 d . . . . .
H2 H 0.3385 0.2939 0.1894 0.249 Uiso 1 1 calc R U . . .
B3 B 0.5072(10) 0.3948(9) 0.1692(5) 0.123(4) Uani 1 1 d . . . . .
H3 H 0.4977 0.3518 0.1251 0.184 Uiso 1 1 calc R U . . .
B4 B 0.5244(10) 0.5277(9) 0.1736(6) 0.128(4) Uani 1 1 d . . . . .
H4 H 0.5265 0.5743 0.1333 0.192 Uiso 1 1 calc R U . . .
C4 C 0.0959(6) 0.6484(4) -0.0331(3) 0.0659(14) Uani 1 1 d . . . . .
B5 B 0.5306(14) 0.5135(15) 0.3021(6) 0.178(8) Uani 1 1 d . . . . .
H5 H 0.5351 0.5514 0.3470 0.266 Uiso 1 1 calc R U . . .
C5 C 0.1501(8) 0.7396(6) -0.0541(4) 0.0997(16) Uani 1 1 d . . . . .
B6 B 0.5204(12) 0.3889(11) 0.2929(7) 0.166(5) Uani 1 1 d . . . . .
H6 H 0.5212 0.3402 0.3329 0.249 Uiso 1 1 calc R U . . .
C6 C 0.0335(8) 0.8330(6) -0.0923(4) 0.0997(16) Uani 1 1 d . . . . .
H6A H -0.0809 0.8293 -0.1040 0.150 Uiso 1 1 calc R U . . .
C7 C 0.2425(5) 0.3476(5) -0.0914(4) 0.175(5) Uani 1 1 d G . . . .
H7A H 0.3089 0.3957 -0.0656 0.210 Uiso 1 1 calc R U . . .
C8 C 0.2766(8) 0.2805(7) -0.1294(5) 0.216(8) Uani 1 1 d G . . . .
H8A H 0.3658 0.2838 -0.1291 0.260 Uiso 1 1 calc R U . . .
C9 C 0.1773(11) 0.2086(6) -0.1678(4) 0.242(9) Uani 1 1 d G . . . .
H9A H 0.2001 0.1638 -0.1933 0.290 Uiso 1 1 calc R U . . .
C10 C 0.0439(9) 0.2037(4) -0.1682(4) 0.174(5) Uani 1 1 d G . . . .
H10A H -0.0225 0.1555 -0.1940 0.208 Uiso 1 1 calc R U . . .
C11 C 0.0098(5) 0.2707(4) -0.1302(3) 0.158(5) Uani 1 1 d G . . . .
H11A H -0.0794 0.2674 -0.1305 0.190 Uiso 1 1 calc R U . . .
N1 N 0.1091(4) 0.3426(3) -0.0918(2) 0.0613(11) Uani 1 1 d G . . . .
B7 B 0.6051(10) 0.3527(8) 0.2465(6) 0.130(4) Uani 1 1 d . . . . .
H7 H 0.6644 0.2827 0.2546 0.195 Uiso 1 1 calc R U . . .
B8 B 0.6684(10) 0.4547(12) 0.2282(6) 0.143(5) Uani 1 1 d . . . . .
H8 H 0.7690 0.4530 0.2237 0.214 Uiso 1 1 calc R U . . .
B9 B 0.6235(16) 0.5544(7) 0.2587(8) 0.171(8) Uani 1 1 d . . . . .
H9 H 0.6919 0.6210 0.2744 0.256 Uiso 1 1 calc R U . . .
B10 B 0.6728(9) 0.4502(6) 0.3069(4) 0.090(2) Uani 1 1 d . . . . .
H10 H 0.7724 0.4458 0.3554 0.134 Uiso 1 1 calc R U . . .
B11 B 0.1633(13) 0.8412(6) -0.0159(6) 0.118(4) Uani 1 1 d . . . . .
H11 H 0.1359 0.8449 0.0264 0.178 Uiso 1 1 calc R U . . .
B12 B 0.3138(11) 0.7744(10) -0.0059(7) 0.157(7) Uani 1 1 d . . . . .
H12 H 0.3897 0.7346 0.0400 0.236 Uiso 1 1 calc R U . . .
B13 B 0.2635(14) 0.7345(7) -0.0844(8) 0.129(4) Uani 1 1 d . . . . .
H13 H 0.3083 0.6643 -0.0915 0.194 Uiso 1 1 calc R U . . .
B14 B 0.0894(15) 0.7669(10) -0.1369(5) 0.149(6) Uani 1 1 d . . . . .
H14 H 0.0152 0.7188 -0.1783 0.223 Uiso 1 1 calc R U . . .
B15 B 0.1313(17) 0.9389(7) -0.0674(11) 0.144(6) Uani 1 1 d . . . . .
H15 H 0.0832 1.0089 -0.0623 0.216 Uiso 1 1 calc R U . . .
B16 B 0.301(2) 0.9097(10) -0.0121(6) 0.177(8) Uani 1 1 d . . . . .
H16 H 0.3652 0.9589 0.0308 0.266 Uiso 1 1 calc R U . . .
B17 B 0.3704(11) 0.8366(9) -0.0600(9) 0.163(7) Uani 1 1 d . . . . .
H17 H 0.4837 0.8356 -0.0502 0.245 Uiso 1 1 calc R U . . .
B18 B 0.2216(19) 0.8323(9) -0.1430(6) 0.151(6) Uani 1 1 d . . . . .
H18 H 0.2318 0.8288 -0.1902 0.226 Uiso 1 1 calc R U . . .
B19 B 0.0901(13) 0.8961(11) -0.1410(8) 0.144(6) Uani 1 1 d . . . . .
H19 H 0.0156 0.9390 -0.1856 0.216 Uiso 1 1 calc R U . . .
B20 B 0.2665(10) 0.9375(6) -0.0934(6) 0.097(3) Uani 1 1 d . . . . .
H20 H 0.3164 1.0024 -0.1040 0.146 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O2 1.957(4) 3_565 ?
Cu1 O1 1.962(4) . ?
Cu1 O4 1.967(4) . ?
Cu1 O3 1.972(4) . ?
Cu1 N1 2.113(3) . ?
Cu1 Cu1 2.7308(12) 3_565 ?
O1 C1 1.226(7) . ?
C1 O2 1.261(6) . ?
C1 C2 1.517(7) . ?
B1 C2 1.647(12) . ?
B1 C3 1.666(19) . ?
B1 B2 1.71(2) . ?
B1 B6 1.738(16) . ?
B1 B5 1.74(2) . ?
B1 H1 1.1000 . ?
O2 Cu1 1.957(4) 3_565 ?
O3 C4 1.253(7) 3_565 ?
O4 C4 1.247(7) . ?
C2 C3 1.612(9) . ?
C2 B2 1.635(12) . ?
C2 B3 1.642(10) . ?
C2 B4 1.702(10) . ?
C3 B4 1.672(19) . ?
C3 B9 1.700(19) . ?
C3 B5 1.732(19) . ?
C3 H3A 1.1000 . ?
B2 B3 1.647(18) . ?
B2 B6 1.76(2) . ?
B2 B7 1.797(15) . ?
B2 H2 1.1000 . ?
B3 B7 1.641(16) . ?
B3 B8 1.781(14) . ?
B3 B4 1.802(17) . ?
B3 H3 1.1000 . ?
B4 B9 1.721(18) . ?
B4 B8 1.739(16) . ?
B4 H4 1.1000 . ?
C4 O3 1.253(7) 3_565 ?
C4 C5 1.515(8) . ?
B5 B10 1.675(13) . ?
B5 B6 1.69(2) . ?
B5 B9 1.74(3) . ?
B5 H5 1.1000 . ?
C5 B11 1.584(12) . ?
C5 B13 1.608(12) . ?
C5 B12 1.614(11) . ?
C5 B14 1.683(12) . ?
C5 C6 1.686(10) . ?
B6 B10 1.691(14) . ?
B6 B7 1.71(2) . ?
B6 H6 1.1000 . ?
C6 B11 1.613(14) . ?
C6 B14 1.627(18) . ?
C6 B19 1.681(14) . ?
C6 B15 1.696(15) . ?
C6 H6A 1.1000 . ?
C7 C8 1.3900 . ?
C7 N1 1.3900 . ?
C7 H7A 0.9300 . ?
C8 C9 1.3900 . ?
C8 H8A 0.9300 . ?
C9 C10 1.3900 . ?
C9 H9A 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10A 0.9300 . ?
C11 N1 1.3900 . ?
C11 H11A 0.9300 . ?
B7 B8 1.657(17) . ?
B7 B10 1.775(14) . ?
B7 H7 1.1000 . ?
B8 B9 1.67(2) . ?
B8 B10 1.724(16) . ?
B8 H8 1.1000 . ?
B9 B10 1.699(14) . ?
B9 H9 1.1000 . ?
B10 H10 1.1000 . ?
B11 B15 1.675(16) . ?
B11 B16 1.678(15) . ?
B11 B12 1.735(18) . ?
B11 H11 1.1000 . ?
B12 B13 1.659(19) . ?
B12 B17 1.773(17) . ?
B12 B16 1.833(19) . ?
B12 H12 1.1000 . ?
B13 B17 1.698(15) . ?
B13 B14 1.704(18) . ?
B13 B18 1.760(16) . ?
B13 H13 1.1000 . ?
B14 B18 1.694(17) . ?
B14 B19 1.748(18) . ?
B14 H14 1.1000 . ?
B15 B19 1.59(2) . ?
B15 B16 1.67(2) . ?
B15 B20 1.753(16) . ?
B15 H15 1.1000 . ?
B16 B20 1.707(15) . ?
B16 B17 1.83(2) . ?
B16 H16 1.1000 . ?
B17 B20 1.686(14) . ?
B17 B18 1.780(19) . ?
B17 H17 1.1000 . ?
B18 B19 1.64(2) . ?
B18 B20 1.724(14) . ?
B18 H18 1.1000 . ?
B19 B20 1.740(14) . ?
B19 H19 1.1000 . ?
B20 H20 1.1000 . ?

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
O2 Cu1 O1 165.07(17) 3_565 . ?
O2 Cu1 O4 89.0(2) 3_565 . ?
O1 Cu1 O4 89.30(18) . . ?
O2 Cu1 O3 89.4(2) 3_565 . ?
O1 Cu1 O3 88.6(2) . . ?
O4 Cu1 O3 166.04(18) . . ?
O2 Cu1 N1 95.07(16) 3_565 . ?
O1 Cu1 N1 99.82(16) . . ?
O4 Cu1 N1 100.66(16) . . ?
O3 Cu1 N1 93.29(17) . . ?
O2 Cu1 Cu1 82.71(12) 3_565 3_565 ?
O1 Cu1 Cu1 82.36(13) . 3_565 ?
O4 Cu1 Cu1 83.64(13) . 3_565 ?
O3 Cu1 Cu1 82.40(13) . 3_565 ?
N1 Cu1 Cu1 175.16(11) . 3_565 ?
C1 O1 Cu1 124.7(4) . . ?
O1 C1 O2 126.6(5) . . ?
O1 C1 C2 117.7(5) . . ?
O2 C1 C2 115.8(5) . . ?
C2 B1 C3 58.2(6) . . ?
C2 B1 B2 58.2(6) . . ?
C3 B1 B2 106.6(8) . . ?
C2 B1 B6 104.1(9) . . ?
C3 B1 B6 104.8(8) . . ?
B2 B1 B6 61.3(9) . . ?
C2 B1 B5 107.0(10) . . ?
C3 B1 B5 61.1(10) . . ?
B2 B1 B5 109.7(8) . . ?
B6 B1 B5 58.2(8) . . ?
C2 B1 H1 124.3 . . ?
C3 B1 H1 123.0 . . ?
B2 B1 H1 120.9 . . ?
B6 B1 H1 124.0 . . ?
B5 B1 H1 120.8 . . ?
C1 O2 Cu1 123.7(4) . 3_565 ?
C4 O3 Cu1 123.3(4) 3_565 . ?
C4 O4 Cu1 122.1(4) . . ?
C1 C2 C3 118.2(5) . . ?
C1 C2 B2 118.4(5) . . ?
C3 C2 B2 113.2(8) . . ?
C1 C2 B3 121.6(5) . . ?
C3 C2 B3 112.1(6) . . ?
B2 C2 B3 60.4(8) . . ?
C1 C2 B1 117.3(5) . . ?
C3 C2 B1 61.5(7) . . ?
B2 C2 B1 63.0(8) . . ?
B3 C2 B1 111.5(7) . . ?
C1 C2 B4 117.8(5) . . ?
C3 C2 B4 60.5(7) . . ?
B2 C2 B4 115.7(7) . . ?
B3 C2 B4 65.2(7) . . ?
B1 C2 B4 112.9(8) . . ?
C2 C3 B1 60.3(6) . . ?
C2 C3 B4 62.4(5) . . ?
B1 C3 B4 113.5(7) . . ?
C2 C3 B9 109.6(8) . . ?
B1 C3 B9 111.5(9) . . ?
B4 C3 B9 61.4(9) . . ?
C2 C3 B5 109.1(10) . . ?
B1 C3 B5 61.6(11) . . ?
B4 C3 B5 112.1(7) . . ?
B9 C3 B5 61.0(8) . . ?
C2 C3 H3A 121.4 . . ?
B1 C3 H3A 119.0 . . ?
B4 C3 H3A 118.0 . . ?
B9 C3 H3A 120.5 . . ?
B5 C3 H3A 120.3 . . ?
C2 B2 B3 60.0(5) . . ?
C2 B2 B1 58.9(7) . . ?
B3 B2 B1 107.9(9) . . ?
C2 B2 B6 103.6(10) . . ?
B3 B2 B6 103.7(8) . . ?
B1 B2 B6 60.0(9) . . ?
C2 B2 B7 102.3(7) . . ?
B3 B2 B7 56.7(8) . . ?
B1 B2 B7 105.3(9) . . ?
B6 B2 B7 57.3(7) . . ?
C2 B2 H2 124.4 . . ?
B3 B2 H2 122.8 . . ?
B1 B2 H2 121.4 . . ?
B6 B2 H2 124.4 . . ?
B7 B2 H2 125.5 . . ?
B7 B3 C2 109.1(8) . . ?
B7 B3 B2 66.2(8) . . ?
C2 B3 B2 59.6(6) . . ?
B7 B3 B8 57.7(6) . . ?
C2 B3 B8 103.9(7) . . ?
B2 B3 B8 110.7(9) . . ?
B7 B3 B4 106.8(7) . . ?
C2 B3 B4 59.0(5) . . ?
B2 B3 B4 109.9(9) . . ?
B8 B3 B4 58.0(6) . . ?
B7 B3 H3 120.2 . . ?
C2 B3 H3 123.7 . . ?
B2 B3 H3 117.6 . . ?
B8 B3 H3 124.1 . . ?
B4 B3 H3 122.6 . . ?
C3 B4 C2 57.1(5) . . ?
C3 B4 B9 60.1(9) . . ?
C2 B4 B9 104.5(9) . . ?
C3 B4 B8 103.9(8) . . ?
C2 B4 B8 103.2(7) . . ?
B9 B4 B8 57.7(7) . . ?
C3 B4 B3 101.9(8) . . ?
C2 B4 B3 55.8(5) . . ?
B9 B4 B3 105.3(7) . . ?
B8 B4 B3 60.4(7) . . ?
C3 B4 H4 124.6 . . ?
C2 B4 H4 125.4 . . ?
B9 B4 H4 122.8 . . ?
B8 B4 H4 123.7 . . ?
B3 B4 H4 124.4 . . ?
O4 C4 O3 128.5(5) . 3_565 ?
O4 C4 C5 116.0(6) . . ?
O3 C4 C5 115.4(6) 3_565 . ?
B10 B5 B6 60.3(7) . . ?
B10 B5 C3 106.2(9) . . ?
B6 B5 C3 103.9(8) . . ?
B10 B5 B9 59.6(7) . . ?
B6 B5 B9 105.6(9) . . ?
C3 B5 B9 58.6(9) . . ?
B10 B5 B1 109.8(10) . . ?
B6 B5 B1 60.8(9) . . ?
C3 B5 B1 57.3(7) . . ?
B9 B5 B1 106.0(8) . . ?
B10 B5 H5 120.8 . . ?
B6 B5 H5 123.1 . . ?
C3 B5 H5 124.8 . . ?
B9 B5 H5 123.3 . . ?
B1 B5 H5 121.6 . . ?
C4 C5 B11 119.5(7) . . ?
C4 C5 B13 122.9(7) . . ?
B11 C5 B13 111.1(6) . . ?
C4 C5 B12 117.7(6) . . ?
B11 C5 B12 65.7(8) . . ?
B13 C5 B12 62.0(8) . . ?
C4 C5 B14 120.4(6) . . ?
B11 C5 B14 106.8(7) . . ?
B13 C5 B14 62.3(8) . . ?
B12 C5 B14 114.3(8) . . ?
C4 C5 C6 118.5(6) . . ?
B11 C5 C6 59.0(6) . . ?
B13 C5 C6 108.9(6) . . ?
B12 C5 C6 114.5(7) . . ?
B14 C5 C6 57.8(7) . . ?
B10 B6 B5 59.3(6) . . ?
B10 B6 B7 63.0(7) . . ?
B5 B6 B7 109.6(9) . . ?
B10 B6 B1 109.2(9) . . ?
B5 B6 B1 61.0(9) . . ?
B7 B6 B1 108.3(9) . . ?
B10 B6 B2 113.5(11) . . ?
B5 B6 B2 109.8(8) . . ?
B7 B6 B2 62.4(9) . . ?
B1 B6 B2 58.7(7) . . ?
B10 B6 H6 119.2 . . ?
B5 B6 H6 121.4 . . ?
B7 B6 H6 120.0 . . ?
B1 B6 H6 122.5 . . ?
B2 B6 H6 119.4 . . ?
B11 C6 B14 108.1(7) . . ?
B11 C6 B19 105.3(6) . . ?
B14 C6 B19 63.8(8) . . ?
B11 C6 C5 57.4(5) . . ?
B14 C6 C5 61.0(5) . . ?
B19 C6 C5 108.4(7) . . ?
B11 C6 B15 60.8(8) . . ?
B14 C6 B15 109.3(7) . . ?
B19 C6 B15 56.2(7) . . ?
C5 C6 B15 106.3(7) . . ?
B11 C6 H6A 123.2 . . ?
B14 C6 H6A 119.0 . . ?
B19 C6 H6A 122.4 . . ?
C5 C6 H6A 122.6 . . ?
B15 C6 H6A 122.8 . . ?
C8 C7 N1 120.0 . . ?
C8 C7 H7A 120.0 . . ?
N1 C7 H7A 120.0 . . ?
C7 C8 C9 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C9 C8 H8A 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10A 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C10 C11 N1 120.0 . . ?
C10 C11 H11A 120.0 . . ?
N1 C11 H11A 120.0 . . ?
C11 N1 C7 120.0 . . ?
C11 N1 Cu1 117.5(3) . . ?
C7 N1 Cu1 122.5(3) . . ?
B3 B7 B8 65.4(8) . . ?
B3 B7 B6 106.5(7) . . ?
B8 B7 B6 106.6(9) . . ?
B3 B7 B10 111.8(8) . . ?
B8 B7 B10 60.2(6) . . ?
B6 B7 B10 58.1(6) . . ?
B3 B7 B2 57.1(6) . . ?
B8 B7 B2 109.4(7) . . ?
B6 B7 B2 60.3(8) . . ?
B10 B7 B2 107.9(9) . . ?
B3 B7 H7 120.0 . . ?
B8 B7 H7 119.8 . . ?
B6 B7 H7 123.9 . . ?
B10 B7 H7 121.1 . . ?
B2 B7 H7 122.4 . . ?
B7 B8 B9 110.8(11) . . ?
B7 B8 B10 63.3(7) . . ?
B9 B8 B10 60.1(8) . . ?
B7 B8 B4 109.1(7) . . ?
B9 B8 B4 60.6(8) . . ?
B10 B8 B4 109.7(9) . . ?
B7 B8 B3 56.9(7) . . ?
B9 B8 B3 108.6(8) . . ?
B10 B8 B3 107.7(8) . . ?
B4 B8 B3 61.6(6) . . ?
B7 B8 H8 120.6 . . ?
B9 B8 H8 120.7 . . ?
B10 B8 H8 120.5 . . ?
B4 B8 H8 120.3 . . ?
B3 B8 H8 122.9 . . ?
B8 B9 B10 61.6(7) . . ?
B8 B9 C3 105.9(7) . . ?
B10 B9 C3 106.6(11) . . ?
B8 B9 B4 61.7(9) . . ?
B10 B9 B4 111.7(8) . . ?
C3 B9 B4 58.5(7) . . ?
B8 B9 B5 107.4(9) . . ?
B10 B9 B5 58.2(8) . . ?
C3 B9 B5 60.4(10) . . ?
B4 B9 B5 109.4(8) . . ?
B8 B9 H9 121.7 . . ?
B10 B9 H9 120.9 . . ?
C3 B9 H9 123.8 . . ?
B4 B9 H9 119.6 . . ?
B5 B9 H9 122.0 . . ?
B5 B10 B6 60.4(9) . . ?
B5 B10 B9 62.1(9) . . ?
B6 B10 B9 107.6(8) . . ?
B5 B10 B8 107.9(7) . . ?
B6 B10 B8 104.3(8) . . ?
B9 B10 B8 58.3(9) . . ?
B5 B10 B7 107.3(8) . . ?
B6 B10 B7 58.9(8) . . ?
B9 B10 B7 103.9(8) . . ?
B8 B10 B7 56.5(7) . . ?
B5 B10 H10 120.1 . . ?
B6 B10 H10 122.7 . . ?
B9 B10 H10 122.4 . . ?
B8 B10 H10 124.3 . . ?
B7 B10 H10 124.5 . . ?
C5 B11 C6 63.6(5) . . ?
C5 B11 B15 112.2(9) . . ?
C6 B11 B15 62.1(8) . . ?
C5 B11 B16 111.5(9) . . ?
C6 B11 B16 112.1(7) . . ?
B15 B11 B16 59.8(8) . . ?
C5 B11 B12 58.0(6) . . ?
C6 B11 B12 111.9(8) . . ?
B15 B11 B12 112.5(7) . . ?
B16 B11 B12 65.0(9) . . ?
C5 B11 H11 120.2 . . ?
C6 B11 H11 118.4 . . ?
B15 B11 H11 119.7 . . ?
B16 B11 H11 118.9 . . ?
B12 B11 H11 119.3 . . ?
C5 B12 B13 58.8(6) . . ?
C5 B12 B11 56.3(6) . . ?
B13 B12 B11 101.7(7) . . ?
C5 B12 B17 105.7(8) . . ?
B13 B12 B17 59.2(8) . . ?
B11 B12 B17 103.4(7) . . ?
C5 B12 B16 102.8(9) . . ?
B13 B12 B16 105.6(7) . . ?
B11 B12 B16 56.0(8) . . ?
B17 B12 B16 60.8(7) . . ?
C5 B12 H12 124.3 . . ?
B13 B12 H12 123.7 . . ?
B11 B12 H12 126.7 . . ?
B17 B12 H12 122.3 . . ?
B16 B12 H12 123.7 . . ?
C5 B13 B12 59.2(6) . . ?
C5 B13 B17 109.5(9) . . ?
B12 B13 B17 63.7(8) . . ?
C5 B13 B14 61.0(6) . . ?
B12 B13 B14 110.9(9) . . ?
B17 B13 B14 110.3(8) . . ?
C5 B13 B18 107.1(9) . . ?
B12 B13 B18 112.3(7) . . ?
B17 B13 B18 61.9(7) . . ?
B14 B13 B18 58.5(8) . . ?
C5 B13 H13 122.7 . . ?
B12 B13 H13 118.7 . . ?
B17 B13 H13 119.0 . . ?
B14 B13 H13 120.9 . . ?
B18 B13 H13 121.3 . . ?
C6 B14 C5 61.2(6) . . ?
C6 B14 B18 107.1(8) . . ?
C5 B14 B18 106.7(8) . . ?
C6 B14 B13 107.1(7) . . ?
C5 B14 B13 56.7(6) . . ?
B18 B14 B13 62.4(8) . . ?
C6 B14 B19 59.6(8) . . ?
C5 B14 B19 105.4(9) . . ?
B18 B14 B19 56.8(7) . . ?
B13 B14 B19 105.3(7) . . ?
C6 B14 H14 121.2 . . ?
C5 B14 H14 123.2 . . ?
B18 B14 H14 122.0 . . ?
B13 B14 H14 122.6 . . ?
B19 B14 H14 124.4 . . ?
B19 B15 B16 111.1(10) . . ?
B19 B15 B11 106.6(8) . . ?
B16 B15 B11 60.2(8) . . ?
B19 B15 C6 61.4(8) . . ?
B16 B15 C6 108.4(7) . . ?
B11 B15 C6 57.2(5) . . ?
B19 B15 B20 62.5(8) . . ?
B16 B15 B20 59.8(7) . . ?
B11 B15 B20 106.0(8) . . ?
C6 B15 B20 109.8(9) . . ?
B19 B15 H15 119.7 . . ?
B16 B15 H15 120.5 . . ?
B11 B15 H15 124.5 . . ?
C6 B15 H15 121.6 . . ?
B20 B15 H15 121.2 . . ?
B15 B16 B11 60.0(8) . . ?
B15 B16 B20 62.5(8) . . ?
B11 B16 B20 108.0(8) . . ?
B15 B16 B17 105.8(9) . . ?
B11 B16 B17 103.4(7) . . ?
B20 B16 B17 56.9(7) . . ?
B15 B16 B12 107.9(7) . . ?
B11 B16 B12 59.0(6) . . ?
B20 B16 B12 105.7(9) . . ?
B17 B16 B12 57.9(8) . . ?
B15 B16 H16 120.7 . . ?
B11 B16 H16 123.0 . . ?
B20 B16 H16 121.9 . . ?
B17 B16 H16 125.5 . . ?
B12 B16 H16 122.8 . . ?
B20 B17 B13 108.7(8) . . ?
B20 B17 B12 109.4(9) . . ?
B13 B17 B12 57.1(6) . . ?
B20 B17 B18 59.6(7) . . ?
B13 B17 B18 60.8(8) . . ?
B12 B17 B18 106.2(6) . . ?
B20 B17 B16 58.0(7) . . ?
B13 B17 B16 104.2(7) . . ?
B12 B17 B16 61.2(9) . . ?
B18 B17 B16 103.0(9) . . ?
B20 B17 H17 120.8 . . ?
B13 B17 H17 122.9 . . ?
B12 B17 H17 121.6 . . ?
B18 B17 H17 123.5 . . ?
B16 B17 H17 124.8 . . ?
B19 B18 B14 63.3(9) . . ?
B19 B18 B20 62.3(7) . . ?
B14 B18 B20 111.9(10) . . ?
B19 B18 B13 107.6(8) . . ?
B14 B18 B13 59.1(6) . . ?
B20 B18 B13 104.3(8) . . ?
B19 B18 B17 107.4(9) . . ?
B14 B18 B17 106.9(7) . . ?
B20 B18 B17 57.5(6) . . ?
B13 B18 B17 57.3(7) . . ?
B19 B18 H18 119.8 . . ?
B14 B18 H18 119.5 . . ?
B20 B18 H18 121.5 . . ?
B13 B18 H18 124.7 . . ?
B17 B18 H18 124.2 . . ?
B15 B19 B18 112.6(9) . . ?
B15 B19 C6 62.4(8) . . ?
B18 B19 C6 107.2(8) . . ?
B15 B19 B20 63.3(8) . . ?
B18 B19 B20 61.3(6) . . ?
C6 B19 B20 111.2(8) . . ?
B15 B19 B14 108.4(8) . . ?
B18 B19 B14 59.9(9) . . ?
C6 B19 B14 56.6(6) . . ?
B20 B19 B14 108.5(9) . . ?
B15 B19 H19 118.3 . . ?
B18 B19 H19 120.6 . . ?
C6 B19 H19 122.0 . . ?
B20 B19 H19 119.3 . . ?
B14 B19 H19 123.7 . . ?
B17 B20 B16 65.1(9) . . ?
B17 B20 B18 62.9(8) . . ?
B16 B20 B18 110.7(7) . . ?
B17 B20 B19 107.1(7) . . ?
B16 B20 B19 102.6(8) . . ?
B18 B20 B19 56.5(8) . . ?
B17 B20 B15 108.5(7) . . ?
B16 B20 B15 57.7(9) . . ?
B18 B20 B15 101.2(8) . . ?
B19 B20 B15 54.2(8) . . ?
B17 B20 H20 117.8 . . ?
B16 B20 H20 120.7 . . ?
B18 B20 H20 122.6 . . ?
B19 B20 H20 126.9 . . ?
B15 B20 H20 126.4 . . ?

_refine_diff_density_max         1.333
_refine_diff_density_min         -1.291
_refine_diff_density_rms         0.105

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mfcl2154v
_database_code_depnum_ccdc_archive 'CCDC 1034200'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H58 B40 Cu2 N2 O8, H2 O'
_chemical_formula_sum            'C24 H60 B40 Cu2 N2 O9'
_chemical_formula_weight         1080.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   25.36(2)
_cell_length_b                   20.832(17)
_cell_length_c                   12.538(11)
_cell_angle_alpha                90
_cell_angle_beta                 106.308(13)
_cell_angle_gamma                90
_cell_volume                     6357(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5165
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      23.73

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.129
_exptl_crystal_F_000             2192
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    0.709
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.898924
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   'SADABS v2.10 BRUKER 2001'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49176
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.930
_diffrn_reflns_theta_max         28.415
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7907
_reflns_number_gt                5482
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_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)+(0.1626P)²+0.9784P] 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         7907
_refine_ls_number_parameters     349
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0699
_refine_ls_wR_factor_ref         0.2408
_refine_ls_wR_factor_gt          0.2226
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.585
_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
Cu1 Cu 0.04280(2) 0.23545(2) 0.86087(3) 0.05123(18) Uani 1 1 d . . . . .
O1 O 0.08290(10) 0.29971(12) 0.8060(2) 0.0640(6) Uani 1 1 d . . . . .
O2 O -0.00261(10) 0.17379(12) 0.9059(2) 0.0642(6) Uani 1 1 d . . . . .
O3 O 0.01926(10) 0.30517(12) 0.6403(2) 0.0657(6) Uani 1 1 d . . . . .
O4 O -0.06516(10) 0.16934(12) 0.7384(2) 0.0617(6) Uani 1 1 d . . . . .
N1 N 0.09150(12) 0.24709(12) 1.0215(2) 0.0517(6) Uani 1 1 d . . . . .
C1 C 0.06213(14) 0.32142(15) 0.7089(3) 0.0541(7) Uani 1 1 d . . . . .
C2 C 0.09557(14) 0.37383(15) 0.6749(3) 0.0545(7) Uani 1 1 d . . . . .
C3 C 0.1469(3) 0.4099(3) 0.7656(5) 0.133(3) Uani 1 1 d . . . . .
H3A H 0.1594 0.3968 0.8541 0.199 Uiso 1 1 calc R U . . .
C4 C -0.04684(13) 0.15626(14) 0.8388(3) 0.0537(7) Uani 1 1 d . . . . .
C5 C -0.08285(13) 0.11526(14) 0.8893(3) 0.0524(7) Uani 1 1 d . . . . .
C6 C -0.0559(2) 0.0753(2) 1.0116(4) 0.0853(13) Uani 1 1 d . . . . .
H6A H -0.0127 0.0778 1.0615 0.128 Uiso 1 1 calc R U . . .
B11 B -0.1010(2) 0.1414(2) 1.0028(4) 0.0688(11) Uani 1 1 d . . . . .
H11 H -0.0869 0.1867 1.0467 0.103 Uiso 1 1 calc R U . . .
B2 B 0.0693(3) 0.4156(4) 0.5671(7) 0.131(3) Uani 1 1 d . . . . .
H2 H 0.0270 0.4073 0.5155 0.197 Uiso 1 1 calc R U . . .
C7 C 0.10702(19) 0.19726(17) 1.0906(3) 0.0745(11) Uani 1 1 d . . . . .
H7A H 0.0936 0.1567 1.0664 0.089 Uiso 1 1 calc R U . . .
C8 C 0.1418(2) 0.2036(2) 1.1956(4) 0.0844(13) Uani 1 1 d . . . . .
H8A H 0.1518 0.1675 1.2403 0.101 Uiso 1 1 calc R U . . .
C9 C 0.1618(2) 0.2621(2) 1.2351(4) 0.0732(11) Uani 1 1 d . . . . .
C10 C 0.1463(2) 0.31200(19) 1.1646(4) 0.0844(13) Uani 1 1 d . . . . .
H10A H 0.1599 0.3527 1.1874 0.101 Uiso 1 1 calc R U . . .
C11 C 0.11110(19) 0.30422(16) 1.0598(3) 0.0714(10) Uani 1 1 d . . . . .
H11A H 0.1007 0.3400 1.0144 0.086 Uiso 1 1 calc R U . . .
C12 C 0.2005(3) 0.2714(3) 1.3499(5) 0.114(2) Uani 1 1 d . . . . .
H12A H 0.2201 0.3111 1.3524 0.171 Uiso 1 1 calc R U . . .
H12B H 0.2262 0.2364 1.3668 0.171 Uiso 1 1 calc R U . . .
H12C H 0.1799 0.2725 1.4035 0.171 Uiso 1 1 calc R U . . .
B1 B 0.0845(4) 0.4489(3) 0.7049(10) 0.148(4) Uani 1 1 d . . . . .
H1 H 0.0549 0.4643 0.7491 0.222 Uiso 1 1 calc R U . . .
B3 B 0.1147(5) 0.3632(5) 0.5602(8) 0.152(4) Uani 1 1 d . . . . .
H3 H 0.1046 0.3195 0.5095 0.228 Uiso 1 1 calc R U . . .
B4 B 0.1606(3) 0.3594(3) 0.6748(12) 0.152(4) Uani 1 1 d . . . . .
H4 H 0.1814 0.3132 0.7000 0.227 Uiso 1 1 calc R U . . .
B5 B 0.1488(4) 0.4881(4) 0.7250(8) 0.147(4) Uani 1 1 d . . . . .
H5 H 0.1610 0.5283 0.7837 0.221 Uiso 1 1 calc R U . . .
B6 B 0.0949(4) 0.4920(5) 0.5912(14) 0.193(6) Uani 1 1 d . . . . .
H6 H 0.0702 0.5349 0.5597 0.290 Uiso 1 1 calc R U . . .
B7 B 0.1164(6) 0.4405(6) 0.5062(8) 0.176(5) Uani 1 1 d . . . . .
H7 H 0.1073 0.4506 0.4167 0.264 Uiso 1 1 calc R U . . .
B8 B 0.1728(4) 0.4062(4) 0.5729(10) 0.152(4) Uani 1 1 d . . . . .
H8 H 0.2026 0.3925 0.5279 0.228 Uiso 1 1 calc R U . . .
B9 B 0.1943(3) 0.4341(4) 0.7044(8) 0.136(3) Uani 1 1 d . . . . .
H9 H 0.2380 0.4389 0.7498 0.205 Uiso 1 1 calc R U . . .
B10 B 0.1646(3) 0.4851(3) 0.5985(7) 0.115(2) Uani 1 1 d . . . . .
H10 H 0.1871 0.5248 0.5733 0.172 Uiso 1 1 calc R U . . .
B12 B -0.14891(17) 0.1412(2) 0.8702(5) 0.0719(12) Uani 1 1 d . . . . .
H12 H -0.1659 0.1859 0.8276 0.108 Uiso 1 1 calc R U . . .
B13 B -0.13231(16) 0.07427(19) 0.8048(4) 0.0608(10) Uani 1 1 d . . . . .
H13 H -0.1394 0.0761 0.7142 0.091 Uiso 1 1 calc R U . . .
B14 B -0.0752(2) 0.03349(19) 0.8835(5) 0.0756(13) Uani 1 1 d . . . . .
H14 H -0.0450 0.0092 0.8491 0.113 Uiso 1 1 calc R U . . .
B15 B -0.1675(2) 0.1104(3) 0.9850(6) 0.0917(17) Uani 1 1 d . . . . .
H15 H -0.1978 0.1352 1.0183 0.138 Uiso 1 1 calc R U . . .
B16 B -0.1886(2) 0.0698(3) 0.8563(6) 0.0884(17) Uani 1 1 d . . . . .
H16 H -0.2316 0.0681 0.8053 0.133 Uiso 1 1 calc R U . . .
B17 B -0.1418(3) 0.0025(2) 0.8659(6) 0.098(2) Uani 1 1 d . . . . .
H17 H -0.1550 -0.0425 0.8204 0.147 Uiso 1 1 calc R U . . .
B18 B -0.0945(2) 0.0043(2) 0.9993(6) 0.0886(17) Uani 1 1 d . . . . .
H18 H -0.0766 -0.0400 1.0420 0.133 Uiso 1 1 calc R U . . .
B19 B -0.1108(3) 0.0707(3) 1.0738(5) 0.0903(16) Uani 1 1 d . . . . .
H19 H -0.1040 0.0699 1.1644 0.136 Uiso 1 1 calc R U . . .
B20 B -0.1629(2) 0.0255(3) 0.9835(6) 0.0944(18) Uani 1 1 d . . . . .
H20 H -0.1900 -0.0056 1.0156 0.142 Uiso 1 1 calc R U . . .
O1W O 0.0000 0.2484(4) 0.2500 0.229(6) Uani 1 2 d DS T P . .
H1W H 0.0000 0.2062 0.2500 0.343 Uiso 1 2 d DR U P . .
H2W H 0.0062 0.2705 0.3200 0.343 Uiso 0.5 1 d DR U P . .


_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
Cu1 O2 1.913(2) . ?
Cu1 O1 1.922(2) . ?
Cu1 O4 2.040(3) 2_556 ?
Cu1 N1 2.060(3) . ?
Cu1 O3 2.139(3) 2_556 ?
Cu1 Cu1 3.009(2) 2_556 ?
O1 C1 1.266(4) . ?
O2 C4 1.253(4) . ?
O3 C1 1.230(4) . ?
O3 Cu1 2.139(3) 2_556 ?
O4 C4 1.244(4) . ?
O4 Cu1 2.040(3) 2_556 ?
N1 C11 1.327(4) . ?
N1 C7 1.339(5) . ?
C1 C2 1.516(4) . ?
C2 B2 1.588(7) . ?
C2 C3 1.649(7) . ?
C2 B1 1.650(6) . ?
C2 B3 1.656(7) . ?
C2 B4 1.677(7) . ?
C3 B4 1.657(12) . ?
C3 B9 1.675(10) . ?
C3 B5 1.712(10) . ?
C3 B1 1.749(11) . ?
C3 H3A 1.1000 . ?
C4 C5 1.513(4) . ?
C5 B13 1.637(5) . ?
C5 B11 1.703(6) . ?
C5 C6 1.709(6) . ?
C5 B12 1.712(5) . ?
C5 B14 1.718(5) . ?
C6 B18 1.755(7) . ?
C6 B14 1.772(8) . ?
C6 B11 1.773(7) . ?
C6 B19 1.778(7) . ?
C6 H6A 1.1000 . ?
B11 B15 1.760(7) . ?
B11 B12 1.762(8) . ?
B11 B19 1.774(7) . ?
B11 H11 1.1000 . ?
B2 B3 1.606(13) . ?
B2 B7 1.670(12) . ?
B2 B6 1.713(13) . ?
B2 B1 1.799(13) . ?
B2 H2 1.1000 . ?
C7 C8 1.369(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.360(6) . ?
C8 H8A 0.9300 . ?
C9 C10 1.350(6) . ?
C9 C12 1.510(7) . ?
C10 C11 1.376(6) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
B1 B6 1.767(14) . ?
B1 B5 1.776(10) . ?
B1 H1 1.1000 . ?
B3 B4 1.576(16) . ?
B3 B8 1.693(10) . ?
B3 B7 1.752(15) . ?
B3 H3 1.1000 . ?
B4 B8 1.702(14) . ?
B4 B9 1.763(10) . ?
B4 H4 1.1000 . ?
B5 B9 1.683(12) . ?
B5 B10 1.744(10) . ?
B5 B6 1.843(17) . ?
B5 H5 1.1000 . ?
B6 B7 1.706(16) . ?
B6 B10 1.750(11) . ?
B6 H6 1.1000 . ?
B7 B8 1.608(16) . ?
B7 B10 1.704(12) . ?
B7 H7 1.1000 . ?
B8 B9 1.688(14) . ?
B8 B10 1.699(10) . ?
B8 H8 1.1000 . ?
B9 B10 1.702(11) . ?
B9 H9 1.1000 . ?
B10 H10 1.1000 . ?
B12 B13 1.728(6) . ?
B12 B15 1.757(8) . ?
B12 B16 1.777(6) . ?
B12 H12 1.1000 . ?
B13 B17 1.726(7) . ?
B13 B16 1.726(6) . ?
B13 B14 1.730(7) . ?
B13 H13 1.1000 . ?
B14 B17 1.763(7) . ?
B14 B18 1.765(8) . ?
B14 H14 1.1000 . ?
B15 B19 1.759(9) . ?
B15 B16 1.767(9) . ?
B15 B20 1.774(8) . ?
B15 H15 1.1000 . ?
B16 B20 1.798(9) . ?
B16 B17 1.818(8) . ?
B16 H16 1.1000 . ?
B17 B18 1.764(10) . ?
B17 B20 1.770(9) . ?
B17 H17 1.1000 . ?
B18 B20 1.748(8) . ?
B18 B19 1.782(8) . ?
B18 H18 1.1000 . ?
B19 B20 1.755(9) . ?
B19 H19 1.1000 . ?
B20 H20 1.1000 . ?
O1W H1W 0.8802 . ?
O1W H2W 0.9636 . ?

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
O2 Cu1 O1 175.10(11) . . ?
O2 Cu1 O4 91.16(13) . 2_556 ?
O1 Cu1 O4 89.21(13) . 2_556 ?
O2 Cu1 N1 92.04(12) . . ?
O1 Cu1 N1 92.06(12) . . ?
O4 Cu1 N1 118.86(12) 2_556 . ?
O2 Cu1 O3 87.42(13) . 2_556 ?
O1 Cu1 O3 89.26(13) . 2_556 ?
O4 Cu1 O3 141.66(10) 2_556 2_556 ?
N1 Cu1 O3 99.48(11) . 2_556 ?
O2 Cu1 Cu1 86.27(9) . 2_556 ?
O1 Cu1 Cu1 89.20(9) . 2_556 ?
O4 Cu1 Cu1 71.85(9) 2_556 2_556 ?
N1 Cu1 Cu1 169.22(8) . 2_556 ?
O3 Cu1 Cu1 69.83(8) 2_556 2_556 ?
C1 O1 Cu1 118.3(2) . . ?
C4 O2 Cu1 119.8(2) . . ?
C1 O3 Cu1 134.1(2) . 2_556 ?
C4 O4 Cu1 132.6(2) . 2_556 ?
C11 N1 C7 116.7(3) . . ?
C11 N1 Cu1 121.3(2) . . ?
C7 N1 Cu1 121.9(2) . . ?
O3 C1 O1 128.5(3) . . ?
O3 C1 C2 117.1(3) . . ?
O1 C1 C2 114.4(3) . . ?
C1 C2 B2 120.1(3) . . ?
C1 C2 C3 122.0(3) . . ?
B2 C2 C3 113.5(4) . . ?
C1 C2 B1 118.3(3) . . ?
B2 C2 B1 67.5(6) . . ?
C3 C2 B1 64.1(5) . . ?
C1 C2 B3 118.2(3) . . ?
B2 C2 B3 59.3(5) . . ?
C3 C2 B3 107.0(4) . . ?
B1 C2 B3 115.7(5) . . ?
C1 C2 B4 120.0(4) . . ?
B2 C2 B4 105.9(5) . . ?
C3 C2 B4 59.7(5) . . ?
B1 C2 B4 113.5(4) . . ?
B3 C2 B4 56.4(6) . . ?
C2 C3 B4 61.0(4) . . ?
C2 C3 B9 110.5(5) . . ?
B4 C3 B9 63.9(5) . . ?
C2 C3 B5 108.1(5) . . ?
B4 C3 B5 111.8(5) . . ?
B9 C3 B5 59.6(4) . . ?
C2 C3 B1 58.0(3) . . ?
B4 C3 B1 109.5(6) . . ?
B9 C3 B1 109.7(5) . . ?
B5 C3 B1 61.7(5) . . ?
C2 C3 H3A 122.2 . . ?
B4 C3 H3A 118.7 . . ?
B9 C3 H3A 119.7 . . ?
B5 C3 H3A 120.7 . . ?
B1 C3 H3A 121.6 . . ?
O4 C4 O2 128.7(3) . . ?
O4 C4 C5 116.7(3) . . ?
O2 C4 C5 114.5(3) . . ?
C4 C5 B13 117.8(3) . . ?
C4 C5 B11 120.4(3) . . ?
B13 C5 B11 111.7(3) . . ?
C4 C5 C6 121.0(3) . . ?
B13 C5 C6 111.5(3) . . ?
B11 C5 C6 62.6(3) . . ?
C4 C5 B12 116.4(3) . . ?
B13 C5 B12 62.1(2) . . ?
B11 C5 B12 62.1(3) . . ?
C6 C5 B12 114.1(3) . . ?
C4 C5 B14 116.9(3) . . ?
B13 C5 B14 62.0(3) . . ?
B11 C5 B14 114.4(3) . . ?
C6 C5 B14 62.3(3) . . ?
B12 C5 B14 115.2(3) . . ?
C5 C6 B18 105.0(4) . . ?
C5 C6 B14 59.1(3) . . ?
B18 C6 B14 60.1(3) . . ?
C5 C6 B11 58.5(2) . . ?
B18 C6 B11 108.4(3) . . ?
B14 C6 B11 108.5(4) . . ?
C5 C6 B19 104.8(3) . . ?
B18 C6 B19 60.6(3) . . ?
B14 C6 B19 108.7(4) . . ?
B11 C6 B19 59.9(3) . . ?
C5 C6 H6A 124.8 . . ?
B18 C6 H6A 122.1 . . ?
B14 C6 H6A 121.0 . . ?
B11 C6 H6A 121.4 . . ?
B19 C6 H6A 122.1 . . ?
C5 B11 B15 104.6(3) . . ?
C5 B11 B12 59.2(2) . . ?
B15 B11 B12 59.9(3) . . ?
C5 B11 C6 58.9(2) . . ?
B15 B11 C6 107.5(3) . . ?
B12 B11 C6 108.6(3) . . ?
C5 B11 B19 105.2(3) . . ?
B15 B11 B19 59.7(3) . . ?
B12 B11 B19 108.4(4) . . ?
C6 B11 B19 60.2(3) . . ?
C5 B11 H11 124.5 . . ?
B15 B11 H11 122.9 . . ?
B12 B11 H11 121.0 . . ?
C6 B11 H11 121.4 . . ?
B19 B11 H11 122.1 . . ?
C2 B2 B3 62.5(4) . . ?
C2 B2 B7 112.2(7) . . ?
B3 B2 B7 64.6(7) . . ?
C2 B2 B6 108.2(6) . . ?
B3 B2 B6 113.5(6) . . ?
B7 B2 B6 60.5(6) . . ?
C2 B2 B1 57.9(4) . . ?
B3 B2 B1 110.5(6) . . ?
B7 B2 B1 109.4(5) . . ?
B6 B2 B1 60.3(6) . . ?
C2 B2 H2 121.4 . . ?
B3 B2 H2 117.1 . . ?
B7 B2 H2 118.9 . . ?
B6 B2 H2 120.6 . . ?
B1 B2 H2 122.5 . . ?
N1 C7 C8 122.7(3) . . ?
N1 C7 H7A 118.6 . . ?
C8 C7 H7A 118.6 . . ?
C9 C8 C7 120.7(4) . . ?
C9 C8 H8A 119.7 . . ?
C7 C8 H8A 119.7 . . ?
C10 C9 C8 116.2(4) . . ?
C10 C9 C12 121.2(4) . . ?
C8 C9 C12 122.6(4) . . ?
C9 C10 C11 121.8(4) . . ?
C9 C10 H10A 119.1 . . ?
C11 C10 H10A 119.1 . . ?
N1 C11 C10 121.9(4) . . ?
N1 C11 H11A 119.1 . . ?
C10 C11 H11A 119.1 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C2 B1 C3 57.9(3) . . ?
C2 B1 B6 103.0(6) . . ?
C3 B1 B6 105.4(4) . . ?
C2 B1 B5 105.2(5) . . ?
C3 B1 B5 58.1(5) . . ?
B6 B1 B5 62.7(5) . . ?
C2 B1 B2 54.6(4) . . ?
C3 B1 B2 99.4(5) . . ?
B6 B1 B2 57.4(6) . . ?
B5 B1 B2 104.7(5) . . ?
C2 B1 H1 125.2 . . ?
C3 B1 H1 125.4 . . ?
B6 B1 H1 122.3 . . ?
B5 B1 H1 121.5 . . ?
B2 B1 H1 127.1 . . ?
B4 B3 B2 110.0(6) . . ?
B4 B3 C2 62.4(4) . . ?
B2 B3 C2 58.2(4) . . ?
B4 B3 B8 62.6(7) . . ?
B2 B3 B8 104.7(6) . . ?
C2 B3 B8 107.9(5) . . ?
B4 B3 B7 107.9(6) . . ?
B2 B3 B7 59.5(7) . . ?
C2 B3 B7 105.0(7) . . ?
B8 B3 B7 55.6(5) . . ?
B4 B3 H3 118.5 . . ?
B2 B3 H3 122.7 . . ?
C2 B3 H3 122.3 . . ?
B8 B3 H3 123.3 . . ?
B7 B3 H3 124.4 . . ?
B3 B4 C3 110.5(6) . . ?
B3 B4 C2 61.1(4) . . ?
C3 B4 C2 59.3(3) . . ?
B3 B4 B8 62.0(7) . . ?
C3 B4 B8 105.7(5) . . ?
C2 B4 B8 106.5(7) . . ?
B3 B4 B9 109.7(7) . . ?
C3 B4 B9 58.6(5) . . ?
C2 B4 B9 105.1(5) . . ?
B8 B4 B9 58.3(5) . . ?
B3 B4 H4 118.5 . . ?
C3 B4 H4 122.2 . . ?
C2 B4 H4 123.2 . . ?
B8 B4 H4 122.9 . . ?
B9 B4 H4 123.2 . . ?
B9 B5 C3 59.1(5) . . ?
B9 B5 B10 59.5(5) . . ?
C3 B5 B10 105.6(5) . . ?
B9 B5 B1 108.1(4) . . ?
C3 B5 B1 60.2(4) . . ?
B10 B5 B1 106.9(6) . . ?
B9 B5 B6 104.7(6) . . ?
C3 B5 B6 103.7(5) . . ?
B10 B5 B6 58.3(5) . . ?
B1 B5 B6 58.4(5) . . ?
B9 B5 H5 122.3 . . ?
C3 B5 H5 123.6 . . ?
B10 B5 H5 122.8 . . ?
B1 B5 H5 121.4 . . ?
B6 B5 H5 124.9 . . ?
B7 B6 B2 58.5(7) . . ?
B7 B6 B10 59.1(5) . . ?
B2 B6 B10 105.1(7) . . ?
B7 B6 B1 109.3(5) . . ?
B2 B6 B1 62.2(4) . . ?
B10 B6 B1 107.1(6) . . ?
B7 B6 B5 104.9(7) . . ?
B2 B6 B5 105.5(5) . . ?
B10 B6 B5 58.0(5) . . ?
B1 B6 B5 58.9(6) . . ?
B7 B6 H6 122.5 . . ?
B2 B6 H6 122.8 . . ?
B10 B6 H6 123.5 . . ?
B1 B6 H6 120.2 . . ?
B5 B6 H6 124.4 . . ?
B8 B7 B2 105.6(6) . . ?
B8 B7 B10 61.6(6) . . ?
B2 B7 B10 109.1(7) . . ?
B8 B7 B6 110.3(8) . . ?
B2 B7 B6 61.0(6) . . ?
B10 B7 B6 61.7(6) . . ?
B8 B7 B3 60.3(7) . . ?
B2 B7 B3 55.9(5) . . ?
B10 B7 B3 109.2(8) . . ?
B6 B7 B3 106.8(5) . . ?
B8 B7 H7 121.1 . . ?
B2 B7 H7 123.6 . . ?
B10 B7 H7 119.6 . . ?
B6 B7 H7 120.3 . . ?
B3 B7 H7 123.3 . . ?
B7 B8 B9 110.5(7) . . ?
B7 B8 B3 64.0(7) . . ?
B9 B8 B3 107.9(5) . . ?
B7 B8 B10 62.0(6) . . ?
B9 B8 B10 60.3(5) . . ?
B3 B8 B10 112.3(7) . . ?
B7 B8 B4 108.8(5) . . ?
B9 B8 B4 62.7(6) . . ?
B3 B8 B4 55.3(5) . . ?
B10 B8 B4 110.8(6) . . ?
B7 B8 H8 119.1 . . ?
B9 B8 H8 120.7 . . ?
B3 B8 H8 121.4 . . ?
B10 B8 H8 119.0 . . ?
B4 B8 H8 122.2 . . ?
C3 B9 B5 61.3(5) . . ?
C3 B9 B8 105.5(5) . . ?
B5 B9 B8 109.5(7) . . ?
C3 B9 B10 109.2(6) . . ?
B5 B9 B10 62.0(5) . . ?
B8 B9 B10 60.1(5) . . ?
C3 B9 B4 57.5(4) . . ?
B5 B9 B4 108.1(5) . . ?
B8 B9 B4 59.1(6) . . ?
B10 B9 B4 107.7(7) . . ?
C3 B9 H9 122.7 . . ?
B5 B9 H9 119.8 . . ?
B8 B9 H9 122.5 . . ?
B10 B9 H9 120.5 . . ?
B4 B9 H9 123.1 . . ?
B8 B10 B9 59.5(6) . . ?
B8 B10 B7 56.4(6) . . ?
B9 B10 B7 105.4(6) . . ?
B8 B10 B5 106.2(5) . . ?
B9 B10 B5 58.4(5) . . ?
B7 B10 B5 109.4(5) . . ?
B8 B10 B6 104.2(6) . . ?
B9 B10 B6 108.1(5) . . ?
B7 B10 B6 59.2(6) . . ?
B5 B10 B6 63.7(7) . . ?
B8 B10 H10 124.9 . . ?
B9 B10 H10 122.8 . . ?
B7 B10 H10 123.1 . . ?
B5 B10 H10 120.3 . . ?
B6 B10 H10 121.4 . . ?
C5 B12 B13 56.8(2) . . ?
C5 B12 B15 104.3(3) . . ?
B13 B12 B15 104.6(3) . . ?
C5 B12 B11 58.7(2) . . ?
B13 B12 B11 104.7(3) . . ?
B15 B12 B11 60.0(3) . . ?
C5 B12 B16 104.7(3) . . ?
B13 B12 B16 59.0(3) . . ?
B15 B12 B16 60.0(3) . . ?
B11 B12 B16 108.4(4) . . ?
C5 B12 H12 124.8 . . ?
B13 B12 H12 124.6 . . ?
B15 B12 H12 123.2 . . ?
B11 B12 H12 121.9 . . ?
B16 B12 H12 121.8 . . ?
C5 B13 B17 109.9(4) . . ?
C5 B13 B16 110.5(4) . . ?
B17 B13 B16 63.5(3) . . ?
C5 B13 B12 61.1(2) . . ?
B17 B13 B12 113.9(4) . . ?
B16 B13 B12 61.9(3) . . ?
C5 B13 B14 61.3(2) . . ?
B17 B13 B14 61.4(3) . . ?
B16 B13 B14 114.1(4) . . ?
B12 B13 B14 113.7(4) . . ?
C5 B13 H13 121.6 . . ?
B17 B13 H13 119.0 . . ?
B16 B13 H13 118.5 . . ?
B12 B13 H13 118.2 . . ?
B14 B13 H13 118.2 . . ?
C5 B14 B13 56.7(2) . . ?
C5 B14 B17 104.6(3) . . ?
B13 B14 B17 59.2(3) . . ?
C5 B14 B18 104.2(3) . . ?
B13 B14 B18 104.9(3) . . ?
B17 B14 B18 60.0(3) . . ?
C5 B14 C6 58.6(2) . . ?
B13 B14 C6 104.4(3) . . ?
B17 B14 C6 107.6(4) . . ?
B18 B14 C6 59.5(3) . . ?
C5 B14 H14 124.9 . . ?
B13 B14 H14 124.4 . . ?
B17 B14 H14 122.0 . . ?
B18 B14 H14 123.2 . . ?
C6 B14 H14 122.5 . . ?
B12 B15 B19 109.3(3) . . ?
B12 B15 B11 60.1(3) . . ?
B19 B15 B11 60.6(3) . . ?
B12 B15 B16 60.6(3) . . ?
B19 B15 B16 109.7(4) . . ?
B11 B15 B16 108.9(3) . . ?
B12 B15 B20 108.7(4) . . ?
B19 B15 B20 59.5(4) . . ?
B11 B15 B20 107.7(4) . . ?
B16 B15 B20 61.0(4) . . ?
B12 B15 H15 121.1 . . ?
B19 B15 H15 120.9 . . ?
B11 B15 H15 121.7 . . ?
B16 B15 H15 120.5 . . ?
B20 B15 H15 121.8 . . ?
B13 B16 B15 104.2(4) . . ?
B13 B16 B12 59.1(2) . . ?
B15 B16 B12 59.4(3) . . ?
B13 B16 B20 103.2(4) . . ?
B15 B16 B20 59.7(4) . . ?
B12 B16 B20 106.8(4) . . ?
B13 B16 B17 58.2(3) . . ?
B15 B16 B17 106.5(5) . . ?
B12 B16 B17 107.3(3) . . ?
B20 B16 B17 58.6(3) . . ?
B13 B16 H16 125.0 . . ?
B15 B16 H16 122.9 . . ?
B12 B16 H16 121.7 . . ?
B20 B16 H16 123.5 . . ?
B17 B16 H16 122.4 . . ?
B13 B17 B14 59.4(3) . . ?
B13 B17 B18 105.1(3) . . ?
B14 B17 B18 60.1(3) . . ?
B13 B17 B20 104.4(4) . . ?
B14 B17 B20 107.5(4) . . ?
B18 B17 B20 59.3(4) . . ?
B13 B17 B16 58.2(3) . . ?
B14 B17 B16 108.1(3) . . ?
B18 B17 B16 107.7(4) . . ?
B20 B17 B16 60.1(3) . . ?
B13 B17 H17 124.6 . . ?
B14 B17 H17 121.2 . . ?
B18 B17 H17 122.5 . . ?
B20 B17 H17 122.9 . . ?
B16 B17 H17 121.6 . . ?
B20 B18 C6 108.0(4) . . ?
B20 B18 B17 60.5(4) . . ?
C6 B18 B17 108.4(4) . . ?
B20 B18 B14 108.4(4) . . ?
C6 B18 B14 60.4(3) . . ?
B17 B18 B14 59.9(3) . . ?
B20 B18 B19 59.6(3) . . ?
C6 B18 B19 60.4(3) . . ?
B17 B18 B19 108.5(4) . . ?
B14 B18 B19 108.9(3) . . ?
B20 B18 H18 121.8 . . ?
C6 B18 H18 121.5 . . ?
B17 B18 H18 121.4 . . ?
B14 B18 H18 121.3 . . ?
B19 B18 H18 121.4 . . ?
B20 B19 B15 60.7(4) . . ?
B20 B19 B11 107.9(4) . . ?
B15 B19 B11 59.8(3) . . ?
B20 B19 C6 106.6(4) . . ?
B15 B19 C6 107.4(4) . . ?
B11 B19 C6 59.9(3) . . ?
B20 B19 B18 59.2(3) . . ?
B15 B19 B18 107.6(5) . . ?
B11 B19 B18 107.2(4) . . ?
C6 B19 B18 59.1(3) . . ?
B20 B19 H19 122.0 . . ?
B15 B19 H19 121.6 . . ?
B11 B19 H19 121.9 . . ?
C6 B19 H19 122.6 . . ?
B18 B19 H19 122.5 . . ?
B18 B20 B19 61.2(3) . . ?
B18 B20 B17 60.2(4) . . ?
B19 B20 B17 109.5(4) . . ?
B18 B20 B15 108.4(3) . . ?
B19 B20 B15 59.8(4) . . ?
B17 B20 B15 108.3(4) . . ?
B18 B20 B16 109.3(4) . . ?
B19 B20 B16 108.4(4) . . ?
B17 B20 B16 61.3(4) . . ?
B15 B20 B16 59.3(4) . . ?
B18 B20 H20 120.9 . . ?
B19 B20 H20 121.0 . . ?
B17 B20 H20 120.8 . . ?
B15 B20 H20 122.2 . . ?
B16 B20 H20 121.2 . . ?
H1W O1W H2W 118.5 . . ?

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
Cu1 O3 C1 O1 -0.3(6) 2_556 . . . ?
Cu1 O3 C1 C2 179.1(2) 2_556 . . . ?
Cu1 O1 C1 O3 -3.0(5) . . . . ?
Cu1 O1 C1 C2 177.5(2) . . . . ?
O3 C1 C2 B2 13.3(7) . . . . ?
O1 C1 C2 B2 -167.2(6) . . . . ?
O3 C1 C2 C3 167.8(5) . . . . ?
O1 C1 C2 C3 -12.6(6) . . . . ?
O3 C1 C2 B1 92.3(6) . . . . ?
O1 C1 C2 B1 -88.2(6) . . . . ?
O3 C1 C2 B3 -55.7(7) . . . . ?
O1 C1 C2 B3 123.8(7) . . . . ?
O3 C1 C2 B4 -121.2(6) . . . . ?
O1 C1 C2 B4 58.4(7) . . . . ?
C1 C2 C3 B4 108.5(5) . . . . ?
B2 C2 C3 B4 -95.3(6) . . . . ?
B1 C2 C3 B4 -142.9(5) . . . . ?
B3 C2 C3 B4 -32.1(6) . . . . ?
C1 C2 C3 B9 150.4(5) . . . . ?
B2 C2 C3 B9 -53.5(8) . . . . ?
B1 C2 C3 B9 -101.0(6) . . . . ?
B3 C2 C3 B9 9.8(8) . . . . ?
B4 C2 C3 B9 41.9(6) . . . . ?
C1 C2 C3 B5 -146.1(4) . . . . ?
B2 C2 C3 B5 10.0(8) . . . . ?
B1 C2 C3 B5 -37.6(5) . . . . ?
B3 C2 C3 B5 73.3(7) . . . . ?
B4 C2 C3 B5 105.3(6) . . . . ?
C1 C2 C3 B1 -108.5(4) . . . . ?
B2 C2 C3 B1 47.6(6) . . . . ?
B3 C2 C3 B1 110.9(6) . . . . ?
B4 C2 C3 B1 142.9(5) . . . . ?
Cu1 O4 C4 O2 -12.9(6) 2_556 . . . ?
Cu1 O4 C4 C5 165.2(2) 2_556 . . . ?
Cu1 O2 C4 O4 6.8(5) . . . . ?
Cu1 O2 C4 C5 -171.27(19) . . . . ?
O4 C4 C5 B13 18.0(4) . . . . ?
O2 C4 C5 B13 -163.6(3) . . . . ?
O4 C4 C5 B11 -124.5(4) . . . . ?
O2 C4 C5 B11 53.9(4) . . . . ?
O4 C4 C5 C6 161.2(3) . . . . ?
O2 C4 C5 C6 -20.5(4) . . . . ?
O4 C4 C5 B12 -52.8(4) . . . . ?
O2 C4 C5 B12 125.5(4) . . . . ?
O4 C4 C5 B14 88.9(4) . . . . ?
O2 C4 C5 B14 -92.8(4) . . . . ?
C4 C5 C6 B18 -146.7(3) . . . . ?
B13 C5 C6 B18 -1.4(4) . . . . ?
B11 C5 C6 B18 102.6(3) . . . . ?
B12 C5 C6 B18 66.6(4) . . . . ?
B14 C5 C6 B18 -40.3(3) . . . . ?
C4 C5 C6 B14 -106.3(3) . . . . ?
B13 C5 C6 B14 38.9(3) . . . . ?
B11 C5 C6 B14 143.0(3) . . . . ?
B12 C5 C6 B14 106.9(3) . . . . ?
C4 C5 C6 B11 110.7(3) . . . . ?
B13 C5 C6 B11 -104.1(3) . . . . ?
B12 C5 C6 B11 -36.1(3) . . . . ?
B14 C5 C6 B11 -143.0(3) . . . . ?
C4 C5 C6 B19 150.4(3) . . . . ?
B13 C5 C6 B19 -64.3(4) . . . . ?
B11 C5 C6 B19 39.7(3) . . . . ?
B12 C5 C6 B19 3.7(5) . . . . ?
B14 C5 C6 B19 -103.2(4) . . . . ?
C4 C5 B11 B15 146.5(3) . . . . ?
B13 C5 B11 B15 1.9(4) . . . . ?
C6 C5 B11 B15 -101.9(4) . . . . ?
B12 C5 B11 B15 40.6(3) . . . . ?
B14 C5 B11 B15 -66.1(4) . . . . ?
C4 C5 B11 B12 105.9(4) . . . . ?
B13 C5 B11 B12 -38.7(3) . . . . ?
C6 C5 B11 B12 -142.6(3) . . . . ?
B14 C5 B11 B12 -106.7(3) . . . . ?
C4 C5 B11 C6 -111.6(4) . . . . ?
B13 C5 B11 C6 103.8(3) . . . . ?
B12 C5 B11 C6 142.6(3) . . . . ?
B14 C5 B11 C6 35.8(3) . . . . ?
C4 C5 B11 B19 -151.5(4) . . . . ?
B13 C5 B11 B19 63.9(4) . . . . ?
C6 C5 B11 B19 -40.0(3) . . . . ?
B12 C5 B11 B19 102.6(4) . . . . ?
B14 C5 B11 B19 -4.1(5) . . . . ?
B18 C6 B11 C5 -96.7(4) . . . . ?
B14 C6 B11 C5 -33.0(3) . . . . ?
B19 C6 B11 C5 -134.4(4) . . . . ?
C5 C6 B11 B15 96.7(4) . . . . ?
B18 C6 B11 B15 0.1(5) . . . . ?
B14 C6 B11 B15 63.7(4) . . . . ?
B19 C6 B11 B15 -37.7(4) . . . . ?
C5 C6 B11 B12 33.4(3) . . . . ?
B18 C6 B11 B12 -63.2(4) . . . . ?
B14 C6 B11 B12 0.4(4) . . . . ?
B19 C6 B11 B12 -101.0(4) . . . . ?
C5 C6 B11 B19 134.4(4) . . . . ?
B18 C6 B11 B19 37.7(4) . . . . ?
B14 C6 B11 B19 101.4(4) . . . . ?
C1 C2 B2 B3 -106.9(4) . . . . ?
C3 C2 B2 B3 96.5(6) . . . . ?
B1 C2 B2 B3 142.4(4) . . . . ?
B4 C2 B2 B3 33.1(5) . . . . ?
C1 C2 B2 B7 -149.7(6) . . . . ?
C3 C2 B2 B7 53.7(9) . . . . ?
B1 C2 B2 B7 99.6(7) . . . . ?
B3 C2 B2 B7 -42.8(7) . . . . ?
B4 C2 B2 B7 -9.7(9) . . . . ?
C1 C2 B2 B6 145.5(5) . . . . ?
C3 C2 B2 B6 -11.1(9) . . . . ?
B1 C2 B2 B6 34.8(6) . . . . ?
B3 C2 B2 B6 -107.6(7) . . . . ?
B4 C2 B2 B6 -74.5(8) . . . . ?
C1 C2 B2 B1 110.7(4) . . . . ?
C3 C2 B2 B1 -45.9(5) . . . . ?
B3 C2 B2 B1 -142.4(4) . . . . ?
B4 C2 B2 B1 -109.3(5) . . . . ?
C11 N1 C7 C8 -0.7(7) . . . . ?
Cu1 N1 C7 C8 176.4(4) . . . . ?
N1 C7 C8 C9 0.9(8) . . . . ?
C7 C8 C9 C10 -1.4(8) . . . . ?
C7 C8 C9 C12 -179.5(6) . . . . ?
C8 C9 C10 C11 1.8(8) . . . . ?
C12 C9 C10 C11 179.9(5) . . . . ?
C7 N1 C11 C10 1.0(7) . . . . ?
Cu1 N1 C11 C10 -176.0(4) . . . . ?
C9 C10 C11 N1 -1.7(8) . . . . ?
C1 C2 B1 C3 114.0(4) . . . . ?
B2 C2 B1 C3 -132.9(4) . . . . ?
B3 C2 B1 C3 -97.3(6) . . . . ?
B4 C2 B1 C3 -34.6(6) . . . . ?
C1 C2 B1 B6 -145.8(5) . . . . ?
B2 C2 B1 B6 -32.7(6) . . . . ?
C3 C2 B1 B6 100.2(6) . . . . ?
B3 C2 B1 B6 2.9(9) . . . . ?
B4 C2 B1 B6 65.6(9) . . . . ?
C1 C2 B1 B5 149.4(5) . . . . ?
B2 C2 B1 B5 -97.5(6) . . . . ?
C3 C2 B1 B5 35.4(5) . . . . ?
B3 C2 B1 B5 -61.9(9) . . . . ?
B4 C2 B1 B5 0.7(9) . . . . ?
C1 C2 B1 B2 -113.1(5) . . . . ?
C3 C2 B1 B2 132.9(4) . . . . ?
B3 C2 B1 B2 35.6(6) . . . . ?
B4 C2 B1 B2 98.3(6) . . . . ?
B4 C3 B1 C2 34.0(4) . . . . ?
B9 C3 B1 C2 102.4(6) . . . . ?
B5 C3 B1 C2 138.9(5) . . . . ?
C2 C3 B1 B6 -95.9(7) . . . . ?
B4 C3 B1 B6 -61.8(7) . . . . ?
B9 C3 B1 B6 6.5(9) . . . . ?
B5 C3 B1 B6 43.0(7) . . . . ?
C2 C3 B1 B5 -138.9(5) . . . . ?
B4 C3 B1 B5 -104.8(5) . . . . ?
B9 C3 B1 B5 -36.5(6) . . . . ?
C2 C3 B1 B2 -37.3(3) . . . . ?
B4 C3 B1 B2 -3.2(5) . . . . ?
B9 C3 B1 B2 65.1(6) . . . . ?
B5 C3 B1 B2 101.6(5) . . . . ?
B3 B2 B1 C2 -35.3(4) . . . . ?
B7 B2 B1 C2 -104.5(8) . . . . ?
B6 B2 B1 C2 -141.4(6) . . . . ?
C2 B2 B1 C3 39.0(3) . . . . ?
B3 B2 B1 C3 3.7(5) . . . . ?
B7 B2 B1 C3 -65.5(8) . . . . ?
B6 B2 B1 C3 -102.4(5) . . . . ?
C2 B2 B1 B6 141.4(6) . . . . ?
B3 B2 B1 B6 106.1(6) . . . . ?
B7 B2 B1 B6 36.8(7) . . . . ?
C2 B2 B1 B5 98.3(6) . . . . ?
B3 B2 B1 B5 63.1(7) . . . . ?
B7 B2 B1 B5 -6.2(10) . . . . ?
B6 B2 B1 B5 -43.0(6) . . . . ?
C2 B2 B3 B4 -36.4(4) . . . . ?
B7 B2 B3 B4 99.5(6) . . . . ?
B6 B2 B3 B4 62.6(9) . . . . ?
B1 B2 B3 B4 -3.0(6) . . . . ?
B7 B2 B3 C2 135.9(6) . . . . ?
B6 B2 B3 C2 99.0(8) . . . . ?
B1 B2 B3 C2 33.5(3) . . . . ?
C2 B2 B3 B8 -102.2(7) . . . . ?
B7 B2 B3 B8 33.7(7) . . . . ?
B6 B2 B3 B8 -3.2(11) . . . . ?
B1 B2 B3 B8 -68.8(8) . . . . ?
C2 B2 B3 B7 -135.9(6) . . . . ?
B6 B2 B3 B7 -36.9(8) . . . . ?
B1 B2 B3 B7 -102.4(6) . . . . ?
C1 C2 B3 B4 -109.0(4) . . . . ?
B2 C2 B3 B4 141.0(5) . . . . ?
C3 C2 B3 B4 33.4(5) . . . . ?
B1 C2 B3 B4 102.3(7) . . . . ?
C1 C2 B3 B2 110.0(5) . . . . ?
C3 C2 B3 B2 -107.6(5) . . . . ?
B1 C2 B3 B2 -38.7(6) . . . . ?
B4 C2 B3 B2 -141.0(5) . . . . ?
C1 C2 B3 B8 -153.4(6) . . . . ?
B2 C2 B3 B8 96.5(8) . . . . ?
C3 C2 B3 B8 -11.1(10) . . . . ?
B1 C2 B3 B8 57.8(11) . . . . ?
B4 C2 B3 B8 -44.5(7) . . . . ?
C1 C2 B3 B7 148.4(6) . . . . ?
B2 C2 B3 B7 38.4(7) . . . . ?
C3 C2 B3 B7 -69.2(9) . . . . ?
B1 C2 B3 B7 -0.4(10) . . . . ?
B4 C2 B3 B7 -102.6(7) . . . . ?
B2 B3 B4 C3 0.7(6) . . . . ?
C2 B3 B4 C3 -34.0(4) . . . . ?
B8 B3 B4 C3 97.4(5) . . . . ?
B7 B3 B4 C3 64.0(8) . . . . ?
B2 B3 B4 C2 34.7(4) . . . . ?
B8 B3 B4 C2 131.4(5) . . . . ?
B7 B3 B4 C2 97.9(7) . . . . ?
B2 B3 B4 B8 -96.6(6) . . . . ?
C2 B3 B4 B8 -131.4(5) . . . . ?
B7 B3 B4 B8 -33.4(7) . . . . ?
B2 B3 B4 B9 -62.0(7) . . . . ?
C2 B3 B4 B9 -96.7(6) . . . . ?
B8 B3 B4 B9 34.6(6) . . . . ?
B7 B3 B4 B9 1.2(10) . . . . ?
C2 C3 B4 B3 34.7(4) . . . . ?
B9 C3 B4 B3 -101.2(6) . . . . ?
B5 C3 B4 B3 -64.6(7) . . . . ?
B1 C3 B4 B3 1.8(6) . . . . ?
B9 C3 B4 C2 -135.9(6) . . . . ?
B5 C3 B4 C2 -99.3(6) . . . . ?
B1 C3 B4 C2 -32.9(4) . . . . ?
C2 C3 B4 B8 100.2(7) . . . . ?
B9 C3 B4 B8 -35.7(6) . . . . ?
B5 C3 B4 B8 0.9(9) . . . . ?
B1 C3 B4 B8 67.3(7) . . . . ?
C2 C3 B4 B9 135.9(6) . . . . ?
B5 C3 B4 B9 36.6(6) . . . . ?
B1 C3 B4 B9 103.0(5) . . . . ?
C1 C2 B4 B3 105.7(5) . . . . ?
B2 C2 B4 B3 -34.3(5) . . . . ?
C3 C2 B4 B3 -142.5(5) . . . . ?
B1 C2 B4 B3 -106.2(7) . . . . ?
C1 C2 B4 C3 -111.8(4) . . . . ?
B2 C2 B4 C3 108.2(5) . . . . ?
B1 C2 B4 C3 36.3(6) . . . . ?
B3 C2 B4 C3 142.5(5) . . . . ?
C1 C2 B4 B8 149.5(5) . . . . ?
B2 C2 B4 B8 9.5(8) . . . . ?
C3 C2 B4 B8 -98.7(6) . . . . ?
B1 C2 B4 B8 -62.5(9) . . . . ?
B3 C2 B4 B8 43.7(6) . . . . ?
C1 C2 B4 B9 -149.7(5) . . . . ?
B2 C2 B4 B9 70.3(8) . . . . ?
C3 C2 B4 B9 -37.9(6) . . . . ?
B1 C2 B4 B9 -1.7(10) . . . . ?
B3 C2 B4 B9 104.5(8) . . . . ?
C2 C3 B5 B9 -103.6(7) . . . . ?
B4 C3 B5 B9 -38.4(7) . . . . ?
B1 C3 B5 B9 -139.6(7) . . . . ?
C2 C3 B5 B10 -64.9(8) . . . . ?
B4 C3 B5 B10 0.3(9) . . . . ?
B9 C3 B5 B10 38.7(6) . . . . ?
B1 C3 B5 B10 -100.8(7) . . . . ?
C2 C3 B5 B1 35.9(5) . . . . ?
B4 C3 B5 B1 101.2(6) . . . . ?
B9 C3 B5 B1 139.6(7) . . . . ?
C2 C3 B5 B6 -4.5(8) . . . . ?
B4 C3 B5 B6 60.8(9) . . . . ?
B9 C3 B5 B6 99.1(7) . . . . ?
B1 C3 B5 B6 -40.4(7) . . . . ?
C2 B1 B5 B9 0.6(9) . . . . ?
C3 B1 B5 B9 35.9(7) . . . . ?
B6 B1 B5 B9 -96.4(7) . . . . ?
B2 B1 B5 B9 -56.1(9) . . . . ?
C2 B1 B5 C3 -35.3(5) . . . . ?
B6 B1 B5 C3 -132.3(7) . . . . ?
B2 B1 B5 C3 -92.0(5) . . . . ?
C2 B1 B5 B10 63.3(9) . . . . ?
C3 B1 B5 B10 98.6(7) . . . . ?
B6 B1 B5 B10 -33.7(6) . . . . ?
B2 B1 B5 B10 6.6(8) . . . . ?
C2 B1 B5 B6 97.0(8) . . . . ?
C3 B1 B5 B6 132.3(7) . . . . ?
B2 B1 B5 B6 40.3(7) . . . . ?
C2 B2 B6 B7 105.7(9) . . . . ?
B3 B2 B6 B7 38.5(10) . . . . ?
B1 B2 B6 B7 139.5(8) . . . . ?
C2 B2 B6 B10 67.8(10) . . . . ?
B3 B2 B6 B10 0.6(11) . . . . ?
B7 B2 B6 B10 -37.9(7) . . . . ?
B1 B2 B6 B10 101.6(8) . . . . ?
C2 B2 B6 B1 -33.8(6) . . . . ?
B3 B2 B6 B1 -101.0(7) . . . . ?
B7 B2 B6 B1 -139.5(8) . . . . ?
C2 B2 B6 B5 7.5(10) . . . . ?
B3 B2 B6 B5 -59.7(11) . . . . ?
B7 B2 B6 B5 -98.2(7) . . . . ?
B1 B2 B6 B5 41.3(7) . . . . ?
C2 B1 B6 B7 -4.4(10) . . . . ?
C3 B1 B6 B7 55.5(10) . . . . ?
B5 B1 B6 B7 96.1(7) . . . . ?
B2 B1 B6 B7 -35.9(8) . . . . ?
C2 B1 B6 B2 31.5(5) . . . . ?
C3 B1 B6 B2 91.4(6) . . . . ?
B5 B1 B6 B2 132.0(6) . . . . ?
C2 B1 B6 B10 -66.9(9) . . . . ?
C3 B1 B6 B10 -7.0(10) . . . . ?
B5 B1 B6 B10 33.6(6) . . . . ?
B2 B1 B6 B10 -98.4(9) . . . . ?
C2 B1 B6 B5 -100.5(7) . . . . ?
C3 B1 B6 B5 -40.6(7) . . . . ?
B2 B1 B6 B5 -132.0(6) . . . . ?
B9 B5 B6 B7 -1.3(5) . . . . ?
C3 B5 B6 B7 -62.5(6) . . . . ?
B10 B5 B6 B7 37.5(5) . . . . ?
B1 B5 B6 B7 -103.8(5) . . . . ?
B9 B5 B6 B2 59.5(8) . . . . ?
C3 B5 B6 B2 -1.7(9) . . . . ?
B10 B5 B6 B2 98.4(8) . . . . ?
B1 B5 B6 B2 -43.0(6) . . . . ?
B9 B5 B6 B10 -38.9(4) . . . . ?
C3 B5 B6 B10 -100.0(6) . . . . ?
B1 B5 B6 B10 -141.4(6) . . . . ?
B9 B5 B6 B1 102.5(5) . . . . ?
C3 B5 B6 B1 41.3(6) . . . . ?
B10 B5 B6 B1 141.4(6) . . . . ?
C2 B2 B7 B8 5.9(11) . . . . ?
B3 B2 B7 B8 -35.9(8) . . . . ?
B6 B2 B7 B8 104.9(8) . . . . ?
B1 B2 B7 B8 68.2(10) . . . . ?
C2 B2 B7 B10 -58.9(12) . . . . ?
B3 B2 B7 B10 -100.7(10) . . . . ?
B6 B2 B7 B10 40.1(7) . . . . ?
B1 B2 B7 B10 3.3(12) . . . . ?
C2 B2 B7 B6 -99.0(9) . . . . ?
B3 B2 B7 B6 -140.8(8) . . . . ?
B1 B2 B7 B6 -36.7(8) . . . . ?
C2 B2 B7 B3 41.8(6) . . . . ?
B6 B2 B7 B3 140.8(8) . . . . ?
B1 B2 B7 B3 104.1(6) . . . . ?
B2 B6 B7 B8 -97.1(6) . . . . ?
B10 B6 B7 B8 39.2(5) . . . . ?
B1 B6 B7 B8 -59.6(9) . . . . ?
B5 B6 B7 B8 2.2(7) . . . . ?
B10 B6 B7 B2 136.3(6) . . . . ?
B1 B6 B7 B2 37.5(7) . . . . ?
B5 B6 B7 B2 99.2(5) . . . . ?
B2 B6 B7 B10 -136.3(6) . . . . ?
B1 B6 B7 B10 -98.8(8) . . . . ?
B5 B6 B7 B10 -37.1(5) . . . . ?
B2 B6 B7 B3 -33.1(7) . . . . ?
B10 B6 B7 B3 103.2(9) . . . . ?
B1 B6 B7 B3 4.4(12) . . . . ?
B5 B6 B7 B3 66.1(8) . . . . ?
B4 B3 B7 B8 36.4(8) . . . . ?
B2 B3 B7 B8 139.5(7) . . . . ?
C2 B3 B7 B8 101.7(8) . . . . ?
B4 B3 B7 B2 -103.1(6) . . . . ?
C2 B3 B7 B2 -37.8(5) . . . . ?
B8 B3 B7 B2 -139.5(7) . . . . ?
B4 B3 B7 B10 -2.6(11) . . . . ?
B2 B3 B7 B10 100.5(9) . . . . ?
C2 B3 B7 B10 62.7(11) . . . . ?
B8 B3 B7 B10 -39.0(6) . . . . ?
B4 B3 B7 B6 -67.9(11) . . . . ?
B2 B3 B7 B6 35.2(8) . . . . ?
C2 B3 B7 B6 -2.5(11) . . . . ?
B8 B3 B7 B6 -104.2(8) . . . . ?
B2 B7 B8 B9 -66.5(9) . . . . ?
B10 B7 B8 B9 37.1(5) . . . . ?
B6 B7 B8 B9 -2.2(8) . . . . ?
B3 B7 B8 B9 -100.5(6) . . . . ?
B2 B7 B8 B3 34.0(6) . . . . ?
B10 B7 B8 B3 137.6(5) . . . . ?
B6 B7 B8 B3 98.3(5) . . . . ?
B2 B7 B8 B10 -103.6(8) . . . . ?
B6 B7 B8 B10 -39.3(5) . . . . ?
B3 B7 B8 B10 -137.6(5) . . . . ?
B2 B7 B8 B4 0.5(11) . . . . ?
B10 B7 B8 B4 104.1(7) . . . . ?
B6 B7 B8 B4 64.8(8) . . . . ?
B3 B7 B8 B4 -33.5(6) . . . . ?
B4 B3 B8 B7 -140.6(8) . . . . ?
B2 B3 B8 B7 -35.4(8) . . . . ?
C2 B3 B8 B7 -96.2(9) . . . . ?
B4 B3 B8 B9 -35.9(8) . . . . ?
B2 B3 B8 B9 69.3(10) . . . . ?
C2 B3 B8 B9 8.4(12) . . . . ?
B7 B3 B8 B9 104.6(8) . . . . ?
B4 B3 B8 B10 -100.5(9) . . . . ?
B2 B3 B8 B10 4.7(11) . . . . ?
C2 B3 B8 B10 -56.1(12) . . . . ?
B7 B3 B8 B10 40.1(7) . . . . ?
B2 B3 B8 B4 105.2(6) . . . . ?
C2 B3 B8 B4 44.4(6) . . . . ?
B7 B3 B8 B4 140.6(8) . . . . ?
B3 B4 B8 B7 37.1(8) . . . . ?
C3 B4 B8 B7 -68.1(9) . . . . ?
C2 B4 B8 B7 -6.2(10) . . . . ?
B9 B4 B8 B7 -103.9(8) . . . . ?
B3 B4 B8 B9 141.1(7) . . . . ?
C3 B4 B8 B9 35.8(7) . . . . ?
C2 B4 B8 B9 97.8(7) . . . . ?
C3 B4 B8 B3 -105.2(6) . . . . ?
C2 B4 B8 B3 -43.3(5) . . . . ?
B9 B4 B8 B3 -141.1(7) . . . . ?
B3 B4 B8 B10 103.4(9) . . . . ?
C3 B4 B8 B10 -1.8(10) . . . . ?
C2 B4 B8 B10 60.1(10) . . . . ?
B9 B4 B8 B10 -37.7(6) . . . . ?
C2 C3 B9 B5 99.5(7) . . . . ?
B4 C3 B9 B5 140.1(7) . . . . ?
B1 C3 B9 B5 37.4(7) . . . . ?
C2 C3 B9 B8 -4.5(9) . . . . ?
B4 C3 B9 B8 36.0(8) . . . . ?
B5 C3 B9 B8 -104.1(7) . . . . ?
B1 C3 B9 B8 -66.7(9) . . . . ?
C2 C3 B9 B10 58.7(8) . . . . ?
B4 C3 B9 B10 99.2(8) . . . . ?
B5 C3 B9 B10 -40.8(6) . . . . ?
B1 C3 B9 B10 -3.5(9) . . . . ?
C2 C3 B9 B4 -40.5(6) . . . . ?
B5 C3 B9 B4 -140.1(7) . . . . ?
B1 C3 B9 B4 -102.7(7) . . . . ?
B10 B5 B9 C3 -135.7(6) . . . . ?
B1 B5 B9 C3 -36.3(6) . . . . ?
B6 B5 B9 C3 -97.4(5) . . . . ?
C3 B5 B9 B8 97.5(5) . . . . ?
B10 B5 B9 B8 -38.2(5) . . . . ?
B1 B5 B9 B8 61.1(8) . . . . ?
B6 B5 B9 B8 0.1(6) . . . . ?
C3 B5 B9 B10 135.7(6) . . . . ?
B1 B5 B9 B10 99.3(7) . . . . ?
B6 B5 B9 B10 38.3(4) . . . . ?
C3 B5 B9 B4 34.7(6) . . . . ?
B10 B5 B9 B4 -100.9(7) . . . . ?
B1 B5 B9 B4 -1.6(10) . . . . ?
B6 B5 B9 B4 -62.6(8) . . . . ?
B7 B8 B9 C3 65.8(8) . . . . ?
B3 B8 B9 C3 -2.4(11) . . . . ?
B10 B8 B9 C3 103.6(7) . . . . ?
B4 B8 B9 C3 -35.3(6) . . . . ?
B7 B8 B9 B5 1.3(7) . . . . ?
B3 B8 B9 B5 -67.0(9) . . . . ?
B10 B8 B9 B5 39.0(4) . . . . ?
B4 B8 B9 B5 -99.9(5) . . . . ?
B7 B8 B9 B10 -37.7(6) . . . . ?
B3 B8 B9 B10 -106.0(9) . . . . ?
B4 B8 B9 B10 -138.9(6) . . . . ?
B7 B8 B9 B4 101.2(6) . . . . ?
B3 B8 B9 B4 32.9(7) . . . . ?
B10 B8 B9 B4 138.9(6) . . . . ?
B3 B4 B9 C3 102.5(6) . . . . ?
C2 B4 B9 C3 38.3(5) . . . . ?
B8 B4 B9 C3 138.7(7) . . . . ?
B3 B4 B9 B5 66.2(9) . . . . ?
C3 B4 B9 B5 -36.3(7) . . . . ?
C2 B4 B9 B5 2.0(10) . . . . ?
B8 B4 B9 B5 102.3(7) . . . . ?
B3 B4 B9 B8 -36.1(8) . . . . ?
C3 B4 B9 B8 -138.7(7) . . . . ?
C2 B4 B9 B8 -100.4(9) . . . . ?
B3 B4 B9 B10 0.6(9) . . . . ?
C3 B4 B9 B10 -101.9(7) . . . . ?
C2 B4 B9 B10 -63.6(9) . . . . ?
B8 B4 B9 B10 36.8(6) . . . . ?
B7 B8 B10 B9 139.5(6) . . . . ?
B3 B8 B10 B9 98.5(8) . . . . ?
B4 B8 B10 B9 38.6(7) . . . . ?
B9 B8 B10 B7 -139.5(6) . . . . ?
B3 B8 B10 B7 -41.0(7) . . . . ?
B4 B8 B10 B7 -100.9(7) . . . . ?
B7 B8 B10 B5 102.9(7) . . . . ?
B9 B8 B10 B5 -36.6(6) . . . . ?
B3 B8 B10 B5 61.9(11) . . . . ?
B4 B8 B10 B5 2.0(10) . . . . ?
B7 B8 B10 B6 36.7(7) . . . . ?
B9 B8 B10 B6 -102.8(7) . . . . ?
B3 B8 B10 B6 -4.3(11) . . . . ?
B4 B8 B10 B6 -64.2(10) . . . . ?
C3 B9 B10 B8 -97.3(6) . . . . ?
B5 B9 B10 B8 -137.8(5) . . . . ?
B4 B9 B10 B8 -36.3(6) . . . . ?
C3 B9 B10 B7 -63.1(9) . . . . ?
B5 B9 B10 B7 -103.6(7) . . . . ?
B8 B9 B10 B7 34.1(6) . . . . ?
B4 B9 B10 B7 -2.2(9) . . . . ?
C3 B9 B10 B5 40.5(6) . . . . ?
B8 B9 B10 B5 137.8(5) . . . . ?
B4 B9 B10 B5 101.5(6) . . . . ?
C3 B9 B10 B6 -1.1(10) . . . . ?
B5 B9 B10 B6 -41.6(7) . . . . ?
B8 B9 B10 B6 96.2(7) . . . . ?
B4 B9 B10 B6 59.9(9) . . . . ?
B2 B7 B10 B8 97.9(8) . . . . ?
B6 B7 B10 B8 137.6(6) . . . . ?
B3 B7 B10 B8 38.4(7) . . . . ?
B8 B7 B10 B9 -35.5(6) . . . . ?
B2 B7 B10 B9 62.4(11) . . . . ?
B6 B7 B10 B9 102.1(7) . . . . ?
B3 B7 B10 B9 2.9(11) . . . . ?
B8 B7 B10 B5 -96.9(7) . . . . ?
B2 B7 B10 B5 1.0(12) . . . . ?
B6 B7 B10 B5 40.7(7) . . . . ?
B3 B7 B10 B5 -58.5(11) . . . . ?
B8 B7 B10 B6 -137.6(6) . . . . ?
B2 B7 B10 B6 -39.7(7) . . . . ?
B3 B7 B10 B6 -99.2(7) . . . . ?
B9 B5 B10 B8 37.1(6) . . . . ?
C3 B5 B10 B8 -1.4(9) . . . . ?
B1 B5 B10 B8 -64.4(9) . . . . ?
B6 B5 B10 B8 -98.1(7) . . . . ?
C3 B5 B10 B9 -38.5(6) . . . . ?
B1 B5 B10 B9 -101.5(6) . . . . ?
B6 B5 B10 B9 -135.2(5) . . . . ?
B9 B5 B10 B7 96.5(8) . . . . ?
C3 B5 B10 B7 58.0(10) . . . . ?
B1 B5 B10 B7 -4.9(10) . . . . ?
B6 B5 B10 B7 -38.7(7) . . . . ?
B9 B5 B10 B6 135.2(5) . . . . ?
C3 B5 B10 B6 96.7(6) . . . . ?
B1 B5 B10 B6 33.8(6) . . . . ?
B7 B6 B10 B8 -35.4(6) . . . . ?
B2 B6 B10 B8 2.2(10) . . . . ?
B1 B6 B10 B8 67.3(10) . . . . ?
B5 B6 B10 B8 101.3(7) . . . . ?
B7 B6 B10 B9 -97.5(7) . . . . ?
B2 B6 B10 B9 -59.9(10) . . . . ?
B1 B6 B10 B9 5.2(10) . . . . ?
B5 B6 B10 B9 39.1(6) . . . . ?
B2 B6 B10 B7 37.6(7) . . . . ?
B1 B6 B10 B7 102.6(7) . . . . ?
B5 B6 B10 B7 136.6(6) . . . . ?
B7 B6 B10 B5 -136.6(6) . . . . ?
B2 B6 B10 B5 -99.1(7) . . . . ?
B1 B6 B10 B5 -34.0(7) . . . . ?
C4 C5 B12 B13 109.0(4) . . . . ?
B11 C5 B12 B13 -138.9(3) . . . . ?
C6 C5 B12 B13 -102.6(3) . . . . ?
B14 C5 B12 B13 -33.3(4) . . . . ?
C4 C5 B12 B15 -152.8(3) . . . . ?
B13 C5 B12 B15 98.2(4) . . . . ?
B11 C5 B12 B15 -40.7(3) . . . . ?
C6 C5 B12 B15 -4.4(4) . . . . ?
B14 C5 B12 B15 64.9(4) . . . . ?
C4 C5 B12 B11 -112.1(3) . . . . ?
B13 C5 B12 B11 138.9(3) . . . . ?
C6 C5 B12 B11 36.2(3) . . . . ?
B14 C5 B12 B11 105.5(4) . . . . ?
C4 C5 B12 B16 145.1(4) . . . . ?
B13 C5 B12 B16 36.1(3) . . . . ?
B11 C5 B12 B16 -102.8(4) . . . . ?
C6 C5 B12 B16 -66.6(4) . . . . ?
B14 C5 B12 B16 2.7(5) . . . . ?
B15 B11 B12 C5 -133.2(3) . . . . ?
C6 B11 B12 C5 -33.3(3) . . . . ?
B19 B11 B12 C5 -97.1(3) . . . . ?
C5 B11 B12 B13 34.7(2) . . . . ?
B15 B11 B12 B13 -98.5(3) . . . . ?
C6 B11 B12 B13 1.4(4) . . . . ?
B19 B11 B12 B13 -62.4(4) . . . . ?
C5 B11 B12 B15 133.2(3) . . . . ?
C6 B11 B12 B15 99.9(3) . . . . ?
B19 B11 B12 B15 36.1(3) . . . . ?
C5 B11 B12 B16 96.4(3) . . . . ?
B15 B11 B12 B16 -36.8(3) . . . . ?
C6 B11 B12 B16 63.1(4) . . . . ?
B19 B11 B12 B16 -0.7(4) . . . . ?
C4 C5 B13 B17 146.2(3) . . . . ?
B11 C5 B13 B17 -68.2(4) . . . . ?
C6 C5 B13 B17 -0.3(4) . . . . ?
B12 C5 B13 B17 -107.0(4) . . . . ?
B14 C5 B13 B17 38.8(3) . . . . ?
C4 C5 B13 B16 -145.6(3) . . . . ?
B11 C5 B13 B16 0.0(5) . . . . ?
C6 C5 B13 B16 68.0(4) . . . . ?
B12 C5 B13 B16 -38.7(3) . . . . ?
B14 C5 B13 B16 107.0(4) . . . . ?
C4 C5 B13 B12 -106.9(3) . . . . ?
B11 C5 B13 B12 38.7(3) . . . . ?
C6 C5 B13 B12 106.7(3) . . . . ?
B14 C5 B13 B12 145.7(3) . . . . ?
C4 C5 B13 B14 107.4(3) . . . . ?
B11 C5 B13 B14 -107.0(3) . . . . ?
C6 C5 B13 B14 -39.0(3) . . . . ?
B12 C5 B13 B14 -145.7(3) . . . . ?
B15 B12 B13 C5 -97.8(4) . . . . ?
B11 B12 B13 C5 -35.5(3) . . . . ?
B16 B12 B13 C5 -138.4(4) . . . . ?
C5 B12 B13 B17 100.5(4) . . . . ?
B15 B12 B13 B17 2.7(5) . . . . ?
B11 B12 B13 B17 64.9(4) . . . . ?
B16 B12 B13 B17 -37.9(4) . . . . ?
C5 B12 B13 B16 138.4(4) . . . . ?
B15 B12 B13 B16 40.6(4) . . . . ?
B11 B12 B13 B16 102.9(4) . . . . ?
C5 B12 B13 B14 32.7(3) . . . . ?
B15 B12 B13 B14 -65.1(4) . . . . ?
B11 B12 B13 B14 -2.9(4) . . . . ?
B16 B12 B13 B14 -105.7(4) . . . . ?
C4 C5 B14 B13 -108.8(4) . . . . ?
B11 C5 B14 B13 102.6(3) . . . . ?
C6 C5 B14 B13 138.5(3) . . . . ?
B12 C5 B14 B13 33.4(3) . . . . ?
C4 C5 B14 B17 -145.3(4) . . . . ?
B13 C5 B14 B17 -36.5(4) . . . . ?
B11 C5 B14 B17 66.1(5) . . . . ?
C6 C5 B14 B17 102.0(4) . . . . ?
B12 C5 B14 B17 -3.2(5) . . . . ?
C4 C5 B14 B18 152.5(4) . . . . ?
B13 C5 B14 B18 -98.7(4) . . . . ?
B11 C5 B14 B18 3.9(5) . . . . ?
C6 C5 B14 B18 39.9(3) . . . . ?
B12 C5 B14 B18 -65.3(5) . . . . ?
C4 C5 B14 C6 112.6(4) . . . . ?
B13 C5 B14 C6 -138.5(3) . . . . ?
B11 C5 B14 C6 -35.9(3) . . . . ?
B12 C5 B14 C6 -105.2(4) . . . . ?
B17 B13 B14 C5 -137.9(4) . . . . ?
B16 B13 B14 C5 -101.1(4) . . . . ?
B12 B13 B14 C5 -32.6(3) . . . . ?
C5 B13 B14 B17 137.9(4) . . . . ?
B16 B13 B14 B17 36.8(4) . . . . ?
B12 B13 B14 B17 105.3(4) . . . . ?
C5 B13 B14 B18 97.4(3) . . . . ?
B17 B13 B14 B18 -40.5(4) . . . . ?
B16 B13 B14 B18 -3.7(5) . . . . ?
B12 B13 B14 B18 64.8(4) . . . . ?
C5 B13 B14 C6 35.7(3) . . . . ?
B17 B13 B14 C6 -102.2(4) . . . . ?
B16 B13 B14 C6 -65.4(4) . . . . ?
B12 B13 B14 C6 3.1(4) . . . . ?
B18 C6 B14 C5 133.8(3) . . . . ?
B11 C6 B14 C5 32.8(3) . . . . ?
B19 C6 B14 C5 96.4(4) . . . . ?
C5 C6 B14 B13 -34.8(3) . . . . ?
B18 C6 B14 B13 99.0(3) . . . . ?
B11 C6 B14 B13 -2.1(4) . . . . ?
B19 C6 B14 B13 61.6(4) . . . . ?
C5 C6 B14 B17 -96.6(4) . . . . ?
B18 C6 B14 B17 37.2(4) . . . . ?
B11 C6 B14 B17 -63.9(4) . . . . ?
B19 C6 B14 B17 -0.2(5) . . . . ?
C5 C6 B14 B18 -133.8(3) . . . . ?
B11 C6 B14 B18 -101.0(4) . . . . ?
B19 C6 B14 B18 -37.4(4) . . . . ?
C5 B12 B15 B19 3.3(5) . . . . ?
B13 B12 B15 B19 62.1(5) . . . . ?
B11 B12 B15 B19 -36.7(4) . . . . ?
B16 B12 B15 B19 102.2(5) . . . . ?
C5 B12 B15 B11 40.0(3) . . . . ?
B13 B12 B15 B11 98.8(3) . . . . ?
B16 B12 B15 B11 138.9(4) . . . . ?
C5 B12 B15 B16 -98.9(4) . . . . ?
B13 B12 B15 B16 -40.1(3) . . . . ?
B11 B12 B15 B16 -138.9(4) . . . . ?
C5 B12 B15 B20 -60.1(5) . . . . ?
B13 B12 B15 B20 -1.2(5) . . . . ?
B11 B12 B15 B20 -100.1(4) . . . . ?
B16 B12 B15 B20 38.9(4) . . . . ?
C5 B11 B15 B12 -40.3(3) . . . . ?
C6 B11 B15 B12 -101.7(4) . . . . ?
B19 B11 B15 B12 -139.6(4) . . . . ?
C5 B11 B15 B19 99.3(4) . . . . ?
B12 B11 B15 B19 139.6(4) . . . . ?
C6 B11 B15 B19 37.9(4) . . . . ?
C5 B11 B15 B16 -3.1(5) . . . . ?
B12 B11 B15 B16 37.2(4) . . . . ?
C6 B11 B15 B16 -64.5(5) . . . . ?
B19 B11 B15 B16 -102.4(5) . . . . ?
C5 B11 B15 B20 61.6(5) . . . . ?
B12 B11 B15 B20 101.9(5) . . . . ?
C6 B11 B15 B20 0.2(6) . . . . ?
B19 B11 B15 B20 -37.7(4) . . . . ?
C5 B13 B16 B15 -1.9(5) . . . . ?
B17 B13 B16 B15 100.9(5) . . . . ?
B12 B13 B16 B15 -40.3(4) . . . . ?
B14 B13 B16 B15 64.9(5) . . . . ?
C5 B13 B16 B12 38.4(3) . . . . ?
B17 B13 B16 B12 141.1(4) . . . . ?
B14 B13 B16 B12 105.1(4) . . . . ?
C5 B13 B16 B20 -63.5(4) . . . . ?
B17 B13 B16 B20 39.2(4) . . . . ?
B12 B13 B16 B20 -101.9(4) . . . . ?
B14 B13 B16 B20 3.3(5) . . . . ?
C5 B13 B16 B17 -102.8(4) . . . . ?
B12 B13 B16 B17 -141.1(4) . . . . ?
B14 B13 B16 B17 -36.0(4) . . . . ?
B12 B15 B16 B13 40.1(3) . . . . ?
B19 B15 B16 B13 -61.5(5) . . . . ?
B11 B15 B16 B13 3.0(5) . . . . ?
B20 B15 B16 B13 -97.1(4) . . . . ?
B19 B15 B16 B12 -101.6(4) . . . . ?
B11 B15 B16 B12 -37.0(3) . . . . ?
B20 B15 B16 B12 -137.2(4) . . . . ?
B12 B15 B16 B20 137.2(4) . . . . ?
B19 B15 B16 B20 35.6(3) . . . . ?
B11 B15 B16 B20 100.2(4) . . . . ?
B12 B15 B16 B17 100.7(3) . . . . ?
B19 B15 B16 B17 -0.9(5) . . . . ?
B11 B15 B16 B17 63.6(5) . . . . ?
B20 B15 B16 B17 -36.6(3) . . . . ?
C5 B12 B16 B13 -35.1(3) . . . . ?
B15 B12 B16 B13 -133.3(4) . . . . ?
B11 B12 B16 B13 -96.5(4) . . . . ?
C5 B12 B16 B15 98.3(4) . . . . ?
B13 B12 B16 B15 133.3(4) . . . . ?
B11 B12 B16 B15 36.9(3) . . . . ?
C5 B12 B16 B20 60.5(4) . . . . ?
B13 B12 B16 B20 95.6(4) . . . . ?
B15 B12 B16 B20 -37.8(4) . . . . ?
B11 B12 B16 B20 -0.9(4) . . . . ?
C5 B12 B16 B17 -1.1(5) . . . . ?
B13 B12 B16 B17 34.0(4) . . . . ?
B15 B12 B16 B17 -99.4(5) . . . . ?
B11 B12 B16 B17 -62.5(5) . . . . ?
C5 B13 B17 B14 -38.7(3) . . . . ?
B16 B13 B17 B14 -142.3(4) . . . . ?
B12 B13 B17 B14 -105.0(4) . . . . ?
C5 B13 B17 B18 1.9(5) . . . . ?
B16 B13 B17 B18 -101.7(4) . . . . ?
B12 B13 B17 B18 -64.5(5) . . . . ?
B14 B13 B17 B18 40.6(3) . . . . ?
C5 B13 B17 B20 63.4(5) . . . . ?
B16 B13 B17 B20 -40.2(4) . . . . ?
B12 B13 B17 B20 -3.0(5) . . . . ?
B14 B13 B17 B20 102.1(5) . . . . ?
C5 B13 B17 B16 103.6(4) . . . . ?
B12 B13 B17 B16 37.3(4) . . . . ?
B14 B13 B17 B16 142.3(4) . . . . ?
C5 B14 B17 B13 35.4(3) . . . . ?
B18 B14 B17 B13 133.5(4) . . . . ?
C6 B14 B17 B13 96.6(4) . . . . ?
C5 B14 B17 B18 -98.2(4) . . . . ?
B13 B14 B17 B18 -133.5(4) . . . . ?
C6 B14 B17 B18 -37.0(3) . . . . ?
C5 B14 B17 B20 -61.3(5) . . . . ?
B13 B14 B17 B20 -96.7(4) . . . . ?
B18 B14 B17 B20 36.9(4) . . . . ?
C6 B14 B17 B20 -0.1(5) . . . . ?
C5 B14 B17 B16 2.2(6) . . . . ?
B13 B14 B17 B16 -33.1(4) . . . . ?
B18 B14 B17 B16 100.4(5) . . . . ?
C6 B14 B17 B16 63.4(5) . . . . ?
B15 B16 B17 B13 -96.8(4) . . . . ?
B12 B16 B17 B13 -34.3(4) . . . . ?
B20 B16 B17 B13 -133.8(4) . . . . ?
B13 B16 B17 B14 33.6(4) . . . . ?
B15 B16 B17 B14 -63.2(5) . . . . ?
B12 B16 B17 B14 -0.7(6) . . . . ?
B20 B16 B17 B14 -100.2(5) . . . . ?
B13 B16 B17 B18 97.1(4) . . . . ?
B15 B16 B17 B18 0.3(4) . . . . ?
B12 B16 B17 B18 62.7(5) . . . . ?
B20 B16 B17 B18 -36.7(3) . . . . ?
B13 B16 B17 B20 133.8(4) . . . . ?
B15 B16 B17 B20 37.0(3) . . . . ?
B12 B16 B17 B20 99.5(5) . . . . ?
C5 C6 B18 B20 -61.5(5) . . . . ?
B14 C6 B18 B20 -101.4(5) . . . . ?
B11 C6 B18 B20 -0.3(5) . . . . ?
B19 C6 B18 B20 37.2(4) . . . . ?
C5 C6 B18 B17 2.5(5) . . . . ?
B14 C6 B18 B17 -37.4(4) . . . . ?
B11 C6 B18 B17 63.8(5) . . . . ?
B19 C6 B18 B17 101.3(4) . . . . ?
C5 C6 B18 B14 39.9(3) . . . . ?
B11 C6 B18 B14 101.2(4) . . . . ?
B19 C6 B18 B14 138.6(4) . . . . ?
C5 C6 B18 B19 -98.8(4) . . . . ?
B14 C6 B18 B19 -138.6(4) . . . . ?
B11 C6 B18 B19 -37.5(4) . . . . ?
B13 B17 B18 B20 98.0(4) . . . . ?
B14 B17 B18 B20 138.3(4) . . . . ?
B16 B17 B18 B20 37.1(3) . . . . ?
B13 B17 B18 C6 -2.7(5) . . . . ?
B14 B17 B18 C6 37.6(3) . . . . ?
B20 B17 B18 C6 -100.7(4) . . . . ?
B16 B17 B18 C6 -63.6(4) . . . . ?
B13 B17 B18 B14 -40.3(3) . . . . ?
B20 B17 B18 B14 -138.3(4) . . . . ?
B16 B17 B18 B14 -101.2(3) . . . . ?
B13 B17 B18 B19 61.3(4) . . . . ?
B14 B17 B18 B19 101.6(4) . . . . ?
B20 B17 B18 B19 -36.7(3) . . . . ?
B16 B17 B18 B19 0.4(4) . . . . ?
C5 B14 B18 B20 61.2(5) . . . . ?
B13 B14 B18 B20 2.5(5) . . . . ?
B17 B14 B18 B20 -37.6(4) . . . . ?
C6 B14 B18 B20 100.7(4) . . . . ?
C5 B14 B18 C6 -39.4(3) . . . . ?
B13 B14 B18 C6 -98.2(3) . . . . ?
B17 B14 B18 C6 -138.3(4) . . . . ?
C5 B14 B18 B17 98.8(4) . . . . ?
B13 B14 B18 B17 40.1(3) . . . . ?
C6 B14 B18 B17 138.3(4) . . . . ?
C5 B14 B18 B19 -2.1(5) . . . . ?
B13 B14 B18 B19 -60.8(5) . . . . ?
B17 B14 B18 B19 -100.9(5) . . . . ?
C6 B14 B18 B19 37.4(4) . . . . ?
B12 B15 B19 B20 -100.9(4) . . . . ?
B11 B15 B19 B20 -137.4(4) . . . . ?
B16 B15 B19 B20 -36.2(4) . . . . ?
B12 B15 B19 B11 36.5(4) . . . . ?
B16 B15 B19 B11 101.2(4) . . . . ?
B20 B15 B19 B11 137.4(4) . . . . ?
B12 B15 B19 C6 -1.2(6) . . . . ?
B11 B15 B19 C6 -37.7(4) . . . . ?
B16 B15 B19 C6 63.4(5) . . . . ?
B20 B15 B19 C6 99.7(5) . . . . ?
B12 B15 B19 B18 -63.5(5) . . . . ?
B11 B15 B19 B18 -100.0(4) . . . . ?
B16 B15 B19 B18 1.2(5) . . . . ?
B20 B15 B19 B18 37.4(3) . . . . ?
C5 B11 B19 B20 -59.9(5) . . . . ?
B15 B11 B19 B20 38.3(4) . . . . ?
B12 B11 B19 B20 2.1(5) . . . . ?
C6 B11 B19 B20 -99.2(4) . . . . ?
C5 B11 B19 B15 -98.2(4) . . . . ?
B12 B11 B19 B15 -36.2(4) . . . . ?
C6 B11 B19 B15 -137.5(4) . . . . ?
C5 B11 B19 C6 39.3(3) . . . . ?
B15 B11 B19 C6 137.5(4) . . . . ?
B12 B11 B19 C6 101.3(4) . . . . ?
C5 B11 B19 B18 2.5(5) . . . . ?
B15 B11 B19 B18 100.7(5) . . . . ?
B12 B11 B19 B18 64.6(5) . . . . ?
C6 B11 B19 B18 -36.8(4) . . . . ?
C5 C6 B19 B20 62.4(5) . . . . ?
B18 C6 B19 B20 -36.7(4) . . . . ?
B14 C6 B19 B20 0.5(5) . . . . ?
B11 C6 B19 B20 101.4(4) . . . . ?
C5 C6 B19 B15 -1.4(5) . . . . ?
B18 C6 B19 B15 -100.5(5) . . . . ?
B14 C6 B19 B15 -63.3(5) . . . . ?
B11 C6 B19 B15 37.7(4) . . . . ?
C5 C6 B19 B11 -39.1(3) . . . . ?
B18 C6 B19 B11 -138.2(4) . . . . ?
B14 C6 B19 B11 -101.0(4) . . . . ?
C5 C6 B19 B18 99.1(4) . . . . ?
B14 C6 B19 B18 37.2(4) . . . . ?
B11 C6 B19 B18 138.2(4) . . . . ?
C6 B18 B19 B20 138.2(4) . . . . ?
B17 B18 B19 B20 37.1(4) . . . . ?
B14 B18 B19 B20 100.8(5) . . . . ?
B20 B18 B19 B15 -38.1(4) . . . . ?
C6 B18 B19 B15 100.1(4) . . . . ?
B17 B18 B19 B15 -1.0(5) . . . . ?
B14 B18 B19 B15 62.7(5) . . . . ?
B20 B18 B19 B11 -101.0(5) . . . . ?
C6 B18 B19 B11 37.1(4) . . . . ?
B17 B18 B19 B11 -63.9(5) . . . . ?
B14 B18 B19 B11 -0.3(6) . . . . ?
B20 B18 B19 C6 -138.2(4) . . . . ?
B17 B18 B19 C6 -101.1(4) . . . . ?
B14 B18 B19 C6 -37.4(4) . . . . ?
C6 B18 B20 B19 -37.6(4) . . . . ?
B17 B18 B20 B19 -138.9(4) . . . . ?
B14 B18 B20 B19 -101.5(4) . . . . ?
C6 B18 B20 B17 101.4(4) . . . . ?
B14 B18 B20 B17 37.4(4) . . . . ?
B19 B18 B20 B17 138.9(4) . . . . ?
C6 B18 B20 B15 0.4(6) . . . . ?
B17 B18 B20 B15 -101.0(5) . . . . ?
B14 B18 B20 B15 -63.6(6) . . . . ?
B19 B18 B20 B15 37.9(4) . . . . ?
C6 B18 B20 B16 63.4(5) . . . . ?
B17 B18 B20 B16 -38.0(4) . . . . ?
B14 B18 B20 B16 -0.6(5) . . . . ?
B19 B18 B20 B16 100.9(4) . . . . ?
B15 B19 B20 B18 137.6(4) . . . . ?
B11 B19 B20 B18 99.7(4) . . . . ?
C6 B19 B20 B18 36.7(4) . . . . ?
B15 B19 B20 B17 100.4(5) . . . . ?
B11 B19 B20 B17 62.5(5) . . . . ?
C6 B19 B20 B17 -0.5(6) . . . . ?
B18 B19 B20 B17 -37.2(4) . . . . ?
B11 B19 B20 B15 -37.9(3) . . . . ?
C6 B19 B20 B15 -100.9(4) . . . . ?
B18 B19 B20 B15 -137.6(4) . . . . ?
B15 B19 B20 B16 35.2(4) . . . . ?
B11 B19 B20 B16 -2.7(5) . . . . ?
C6 B19 B20 B16 -65.7(5) . . . . ?
B18 B19 B20 B16 -102.4(4) . . . . ?
B13 B17 B20 B18 -99.2(4) . . . . ?
B14 B17 B20 B18 -37.2(4) . . . . ?
B16 B17 B20 B18 -138.5(3) . . . . ?
B13 B17 B20 B19 -61.6(5) . . . . ?
B14 B17 B20 B19 0.4(6) . . . . ?
B18 B17 B20 B19 37.6(4) . . . . ?
B16 B17 B20 B19 -100.9(4) . . . . ?
B13 B17 B20 B15 2.0(6) . . . . ?
B14 B17 B20 B15 64.0(6) . . . . ?
B18 B17 B20 B15 101.2(4) . . . . ?
B16 B17 B20 B15 -37.3(4) . . . . ?
B13 B17 B20 B16 39.3(4) . . . . ?
B14 B17 B20 B16 101.3(4) . . . . ?
B18 B17 B20 B16 138.5(3) . . . . ?
B12 B15 B20 B18 63.3(6) . . . . ?
B19 B15 B20 B18 -38.5(4) . . . . ?
B11 B15 B20 B18 -0.3(6) . . . . ?
B16 B15 B20 B18 102.0(5) . . . . ?
B12 B15 B20 B19 101.8(4) . . . . ?
B11 B15 B20 B19 38.2(4) . . . . ?
B16 B15 B20 B19 140.5(4) . . . . ?
B12 B15 B20 B17 -0.5(6) . . . . ?
B19 B15 B20 B17 -102.3(5) . . . . ?
B11 B15 B20 B17 -64.1(6) . . . . ?
B16 B15 B20 B17 38.2(4) . . . . ?
B12 B15 B20 B16 -38.7(4) . . . . ?
B19 B15 B20 B16 -140.5(4) . . . . ?
B11 B15 B20 B16 -102.3(4) . . . . ?
B13 B16 B20 B18 -1.5(5) . . . . ?
B15 B16 B20 B18 -100.5(4) . . . . ?
B12 B16 B20 B18 -62.8(5) . . . . ?
B17 B16 B20 B18 37.5(4) . . . . ?
B13 B16 B20 B19 63.5(5) . . . . ?
B15 B16 B20 B19 -35.4(4) . . . . ?
B12 B16 B20 B19 2.2(5) . . . . ?
B17 B16 B20 B19 102.6(4) . . . . ?
B13 B16 B20 B17 -39.1(3) . . . . ?
B15 B16 B20 B17 -138.0(4) . . . . ?
B12 B16 B20 B17 -100.3(4) . . . . ?
B13 B16 B20 B15 99.0(4) . . . . ?
B12 B16 B20 B15 37.7(3) . . . . ?
B17 B16 B20 B15 138.0(4) . . . . ?

_refine_diff_density_max         1.473
_refine_diff_density_min         -0.328
_refine_diff_density_rms         0.099

_shelxl_version_number           2013-3

