# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1907665'
loop_
_audit_author_name
_audit_author_address
'Leon Li-Min Zhang'
;The Chinese University of Hong Kong
China
;
_audit_update_record             
;
2019-04-03 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-02-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C84 H126 Cu15 N O3'
_chemical_formula_sum            'C84 H126 Cu15 N O3'
_chemical_formula_weight         2151.0942
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   49.115(10)
_cell_length_b                   15.305(3)
_cell_length_c                   28.157(5)
_cell_angle_alpha                90
_cell_angle_beta                 112.054(10)
_cell_angle_gamma                90
_cell_volume                     19617(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9185
_cell_measurement_temperature    173
_cell_measurement_theta_max      20.077
_cell_measurement_theta_min      2.229
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.215
_exptl_absorpt_correction_T_max  0.825
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8336.0
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1321
_diffrn_reflns_av_unetI/netI     0.1577
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       62
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            67408
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         1.404
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8840
_reflns_number_total             21344
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.206
_refine_diff_density_min         -1.344
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1012
_refine_ls_number_reflns         21344
_refine_ls_number_restraints     167
_refine_ls_R_factor_all          0.1982
_refine_ls_R_factor_gt           0.0801
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1264P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2028
_refine_ls_wR_factor_ref         0.2704
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C10A-C11A = C10A-C12A = C11A-C12A
 2.45 with sigma of 0.01
 C10B-C11B = C10B-C12B = C11B-C12B
 2.45 with sigma of 0.01
 C82A-C83A = C82A-C84A = C84A-C83A
 2.45 with sigma of 0.01
 C82B-C83B = C82B-C84B = C84B-C83B
 2.45 with sigma of 0.01
 C81-C82A = C81-C83A = C81-C84A
 1.52 with sigma of 0.01
 C81-C82B = C81-C83B = C81-C84B
 1.52 with sigma of 0.01
 C27-C30A \\sim C27-C30B
 with sigma of 0.02
 C27-C29A \\sim C27-C29B
 with sigma of 0.02
 C27-C28A \\sim C27-C28B
 with sigma of 0.02
 C9-C10A \\sim C9-C10B
 with sigma of 0.02
 C9-C11A \\sim C9-C11B
 with sigma of 0.02
 C9-C12A \\sim C9-C12B
 with sigma of 0.02
 C3-C6A \\sim C3-C6B
 with sigma of 0.02
 C3-C5A \\sim C3-C5B
 with sigma of 0.02
 C3-C4A \\sim C3-C4B
 with sigma of 0.02
3. Rigid bond restraints
 C15, C16
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C33, C35B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C4A) \\sim Ueq, Uanis(C5A) \\sim Ueq, Uanis(C6A) \\sim Ueq, Uanis(C10A)
\\sim Ueq, Uanis(C11A) \\sim Ueq, Uanis(C12A) \\sim Ueq, Uanis(C34A) \\sim Ueq,
Uanis(C35A) \\sim Ueq, Uanis(C36A) \\sim Ueq, Uanis(C81) \\sim Ueq, Uanis(C82A)
\\sim Ueq, Uanis(C83A) \\sim Ueq: with sigma of 0.001 and sigma for terminal
atoms of 0.002
Uanis(C9) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C28A) \\sim Ueq, Uanis(C29A) \\sim Ueq, Uanis(C30A) \\sim Ueq,
Uanis(C76A) \\sim Ueq, Uanis(C77A) \\sim Ueq, Uanis(C78A) \\sim Ueq,
Uanis(C84A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C78A) = Uanis(C78B)
Uanis(C77A) = Uanis(C77B)
Uanis(C76A) = Uanis(C76B)
Uanis(C29A) = Uanis(C29B)
Uanis(C28A) = Uanis(C28B)
Uanis(C30A) = Uanis(C30B)
Uanis(C36A) = Uanis(C36B)
Uanis(C35A) = Uanis(C35B)
Uanis(C34A) = Uanis(C34B)
Uanis(C82A) = Uanis(C82B)
Uanis(C83A) = Uanis(C83B)
Uanis(C84A) = Uanis(C84B)
Uanis(C10A) = Uanis(C10B)
Uanis(C11A) = Uanis(C11B)
Uanis(C12A) = Uanis(C12B)
Uanis(C4A) = Uanis(C4B)
Uanis(C5A) = Uanis(C5B)
Uanis(C6A) = Uanis(C6B)
5. Others
 Sof(C84B)=Sof(C83B)=Sof(C82B)=1-FVAR(1)
 Sof(C84A)=Sof(C83A)=Sof(C82A)=FVAR(1)
 Sof(C10B)=Sof(C11B)=Sof(C12B)=1-FVAR(2)
 Sof(C10A)=Sof(C11A)=Sof(C12A)=FVAR(2)
 Sof(C4B)=Sof(C5B)=Sof(C6B)=1-FVAR(3)
 Sof(C4A)=Sof(C5A)=Sof(C6A)=FVAR(3)
 Sof(C36B)=Sof(C35B)=Sof(C34B)=1-FVAR(4)
 Sof(C36A)=Sof(C35A)=Sof(C34A)=FVAR(4)
 Sof(C28A)=Sof(C29A)=Sof(C30A)=1-FVAR(5)
 Sof(C29B)=Sof(C28B)=Sof(C30B)=FVAR(5)
 Sof(C76B)=Sof(C78B)=Sof(C77B)=1-FVAR(6)
 Sof(C76A)=Sof(C78A)=Sof(C77A)=FVAR(6)
6.a Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C40(H40A,H40B,H40C), C41(H41A,
 H41B,H41C), C42(H42A,H42B,H42C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C),
 C48(H48A,H48B,H48C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,
 H54C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C64(H64A,
 H64B,H64C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C70(H70A,H70B,H70C),
 C71(H71A,H71B,H71C), C72(H72A,H72B,H72C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C76A C 0.1131(9) 0.567(2) -0.0150(14) 0.135(8) Uani 0.493(16) 1 d . U P A 1
C78A C 0.1200(7) 0.603(2) 0.0780(13) 0.108(7) Uani 0.493(16) 1 d . U P A 1
C77A C 0.0710(8) 0.556(2) 0.0241(14) 0.124(7) Uani 0.493(16) 1 d . U P A 1
C76B C 0.0893(9) 0.558(2) -0.0265(14) 0.135(8) Uani 0.507(16) 1 d . . P A 2
C78B C 0.1284(7) 0.601(2) 0.0573(12) 0.108(7) Uani 0.507(16) 1 d . . P A 2
C77B C 0.0782(7) 0.580(2) 0.0629(14) 0.124(7) Uani 0.507(16) 1 d . . P A 2
C29B C 0.0442(7) -0.066(2) 0.2251(9) 0.114(7) Uani 0.48(2) 1 d D . P B 1
C28B C 0.0155(7) 0.013(2) 0.1460(16) 0.142(9) Uani 0.48(2) 1 d D . P B 1
C30B C 0.0442(9) -0.1303(19) 0.1387(14) 0.129(8) Uani 0.48(2) 1 d D . P B 1
C28A C 0.0195(7) 0.023(2) 0.1765(16) 0.142(9) Uani 0.52(2) 1 d D U P B 2
C29A C 0.0534(7) -0.1122(19) 0.2154(10) 0.114(7) Uani 0.52(2) 1 d D U P B 2
C30A C 0.0291(8) -0.099(2) 0.1194(10) 0.129(8) Uani 0.52(2) 1 d D U P B 2
C36A C 0.0691(12) 0.304(3) 0.3456(19) 0.159(10) Uani 0.438(18) 1 d . U P C 1
C35A C 0.0970(12) 0.175(4) 0.362(2) 0.170(10) Uani 0.438(18) 1 d . U P C 1
C34A C 0.0467(10) 0.133(3) 0.3112(17) 0.147(9) Uani 0.438(18) 1 d . U P C 1
C36B C 0.0908(9) 0.108(3) 0.3416(16) 0.159(10) Uani 0.562(18) 1 d . . P C 2
C35B C 0.0403(9) 0.197(3) 0.3149(15) 0.170(10) Uani 0.562(18) 1 d . U P C 2
C34B C 0.0881(9) 0.257(3) 0.3598(14) 0.147(9) Uani 0.562(18) 1 d . . P C 2
C4A C 0.0365(9) 0.4281(16) -0.1422(14) 0.121(7) Uani 0.411(14) 1 d D U P D 1
C5A C 0.0601(8) 0.326(3) -0.1627(15) 0.127(7) Uani 0.411(14) 1 d D U P D 1
C6A C 0.0043(5) 0.296(3) -0.1642(14) 0.113(7) Uani 0.411(14) 1 d D U P D 1
C4B C 0.0546(6) 0.4002(17) -0.1494(10) 0.121(7) Uani 0.589(14) 1 d D . P D 2
C5B C 0.0391(6) 0.2334(16) -0.1671(10) 0.127(7) Uani 0.589(14) 1 d D . P D 2
C6B C 0.0043(4) 0.3443(18) -0.1579(10) 0.113(7) Uani 0.589(14) 1 d D . P D 2
C10A C 0.1305(6) 0.112(2) -0.1399(13) 0.141(8) Uani 0.45(2) 1 d D U P E 1
C11A C 0.1562(8) 0.2498(15) -0.1423(12) 0.114(7) Uani 0.45(2) 1 d D U P E 1
C12A C 0.1819(5) 0.134(2) -0.0824(14) 0.165(10) Uani 0.45(2) 1 d D U P E 1
C10B C 0.1421(7) 0.0754(13) -0.1258(11) 0.141(8) Uani 0.55(2) 1 d D . P E 2
C11B C 0.1354(6) 0.2236(16) -0.1615(9) 0.114(7) Uani 0.55(2) 1 d D . P E 2
C12B C 0.1822(4) 0.181(2) -0.0939(12) 0.165(10) Uani 0.55(2) 1 d D . P E 2
C84A C 0.2175(5) 0.550(2) -0.0243(12) 0.150(9) Uani 0.480(17) 1 d D U P F 1
C83A C 0.1645(5) 0.5598(19) -0.0740(13) 0.148(9) Uani 0.480(17) 1 d D U P F 1
C82A C 0.1925(8) 0.4370(18) -0.0885(12) 0.170(10) Uani 0.480(17) 1 d D U P F 1
C84B C 0.2010(7) 0.5886(13) -0.0292(12) 0.150(9) Uani 0.520(17) 1 d D . P F 2
C83B C 0.2154(6) 0.4481(17) -0.0543(13) 0.148(9) Uani 0.520(17) 1 d D . P F 2
C82B C 0.1652(5) 0.503(2) -0.0991(9) 0.170(10) Uani 0.520(17) 1 d D . P F 2
C1 C 0.0539(2) 0.2835(7) -0.0402(4) 0.072(3) Uani 1 1 d . . . . .
C2 C 0.0491(2) 0.3004(9) -0.0840(4) 0.086(4) Uani 1 1 d . . . . .
C3 C 0.0364(3) 0.3209(10) -0.1396(4) 0.110(5) Uani 1 1 d D . . . .
C7 C 0.1274(3) 0.2433(7) -0.0505(4) 0.071(3) Uani 1 1 d . . . . .
C8 C 0.1406(3) 0.2035(8) -0.0695(5) 0.088(4) Uani 1 1 d . . . . .
C9 C 0.1548(5) 0.1586(14) -0.1084(9) 0.178(8) Uani 1 1 d D U . . .
C13 C 0.1578(3) 0.0225(8) 0.0043(4) 0.087(4) Uani 1 1 d . . . . .
C14 C 0.1697(3) -0.0503(8) 0.0119(4) 0.083(4) Uani 1 1 d . . . . .
C15 C 0.1819(3) -0.1397(8) 0.0109(5) 0.099(4) Uani 1 1 d . U . . .
C16 C 0.1868(4) -0.1465(11) -0.0369(6) 0.142(5) Uani 1 1 d . U . . .
H16A H 0.169041 -0.132224 -0.065190 0.214 Uiso 1 1 calc GR . . . .
H16B H 0.192587 -0.205177 -0.040921 0.214 Uiso 1 1 calc GR . . . .
H16C H 0.202087 -0.106759 -0.036205 0.214 Uiso 1 1 calc GR . . . .
C17 C 0.1624(4) -0.2109(11) 0.0136(7) 0.156(6) Uani 1 1 d . U . . .
H17A H 0.143359 -0.203370 -0.012826 0.234 Uiso 1 1 calc GR . . . .
H17B H 0.160706 -0.210024 0.046496 0.234 Uiso 1 1 calc GR . . . .
H17C H 0.170507 -0.265943 0.009041 0.234 Uiso 1 1 calc GR . . . .
C18 C 0.2126(4) -0.1435(11) 0.0567(7) 0.157(7) Uani 1 1 d . U . . .
H18A H 0.222006 -0.198214 0.055901 0.235 Uiso 1 1 calc GR . . . .
H18B H 0.209865 -0.138245 0.088595 0.235 Uiso 1 1 calc GR . . . .
H18C H 0.224751 -0.096389 0.053588 0.235 Uiso 1 1 calc GR . . . .
C19 C 0.1632(2) 0.0112(7) 0.1457(4) 0.058(2) Uani 1 1 d . . . . .
C20 C 0.1621(2) -0.0544(6) 0.1676(4) 0.058(2) Uani 1 1 d . . . . .
C21 C 0.1643(3) -0.1395(7) 0.1942(4) 0.084(4) Uani 1 1 d . . . . .
C22 C 0.1693(4) -0.1216(10) 0.2511(5) 0.147(7) Uani 1 1 d . . . . .
H22A H 0.152620 -0.091322 0.252962 0.220 Uiso 1 1 calc GR . . . .
H22B H 0.186579 -0.086260 0.266354 0.220 Uiso 1 1 calc GR . . . .
H22C H 0.171872 -0.175990 0.269206 0.220 Uiso 1 1 calc GR . . . .
C23 C 0.1378(4) -0.1925(9) 0.1669(8) 0.205(11) Uani 1 1 d . . . . .
H23A H 0.123357 -0.156840 0.141878 0.308 Uiso 1 1 calc GR . . . .
H23B H 0.129905 -0.214369 0.190999 0.308 Uiso 1 1 calc GR . . . .
H23C H 0.142977 -0.240582 0.150061 0.308 Uiso 1 1 calc GR . . . .
C24 C 0.1909(4) -0.1878(9) 0.1907(6) 0.150(7) Uani 1 1 d . . . . .
H24A H 0.193592 -0.242256 0.208814 0.224 Uiso 1 1 calc GR . . . .
H24B H 0.208181 -0.152469 0.205646 0.224 Uiso 1 1 calc GR . . . .
H24C H 0.187572 -0.198915 0.155373 0.224 Uiso 1 1 calc GR . . . .
C25 C 0.0939(3) 0.0252(7) 0.1737(4) 0.080(3) Uani 1 1 d . . . . .
C26 C 0.0701(3) 0.0037(8) 0.1757(5) 0.095(4) Uani 1 1 d . . . . .
C27 C 0.0430(4) -0.0447(10) 0.1735(6) 0.123(5) Uani 1 1 d D . . . .
C31 C 0.0798(2) 0.2451(8) 0.2340(4) 0.080(3) Uani 1 1 d . . . . .
C32 C 0.0757(3) 0.2187(10) 0.2696(5) 0.105(4) Uani 1 1 d . . . . .
C33 C 0.0715(5) 0.1999(19) 0.3202(7) 0.194(11) Uani 1 1 d . U . . .
C37 C 0.1057(2) 0.4266(7) 0.1702(4) 0.073(3) Uani 1 1 d . . . . .
C38 C 0.0962(3) 0.4535(8) 0.2010(5) 0.094(4) Uani 1 1 d . . . . .
C39 C 0.0850(3) 0.5078(11) 0.2340(5) 0.117(5) Uani 1 1 d . . . . .
C40 C 0.0872(5) 0.6009(11) 0.2276(8) 0.185(10) Uani 1 1 d . . . . .
H40A H 0.107342 0.618571 0.243131 0.277 Uiso 1 1 calc GR . . . .
H40B H 0.075800 0.631143 0.243756 0.277 Uiso 1 1 calc GR . . . .
H40C H 0.079773 0.614792 0.191772 0.277 Uiso 1 1 calc GR . . . .
C41 C 0.1044(4) 0.4898(13) 0.2893(6) 0.172(9) Uani 1 1 d . . . . .
H41A H 0.123100 0.517865 0.297115 0.258 Uiso 1 1 calc GR . . . .
H41B H 0.107288 0.427979 0.294461 0.258 Uiso 1 1 calc GR . . . .
H41C H 0.095242 0.512309 0.311462 0.258 Uiso 1 1 calc GR . . . .
C42 C 0.0524(4) 0.4790(11) 0.2221(6) 0.152(7) Uani 1 1 d . . . . .
H42A H 0.048534 0.480605 0.253081 0.228 Uiso 1 1 calc GR . . . .
H42B H 0.049511 0.420731 0.208575 0.228 Uiso 1 1 calc GR . . . .
H42C H 0.039298 0.518213 0.197444 0.228 Uiso 1 1 calc GR . . . .
C43 C 0.1446(2) 0.1936(5) 0.1841(3) 0.046(2) Uani 1 1 d . . . . .
C44 C 0.1605(2) 0.2169(6) 0.2273(4) 0.050(2) Uani 1 1 d . . . . .
C45 C 0.1777(2) 0.2258(7) 0.2844(3) 0.066(3) Uani 1 1 d . . . . .
C46 C 0.2085(3) 0.2592(11) 0.2958(5) 0.132(6) Uani 1 1 d . . . . .
H46A H 0.208432 0.298407 0.269149 0.198 Uiso 1 1 calc GR . . . .
H46B H 0.221322 0.210782 0.297520 0.198 Uiso 1 1 calc GR . . . .
H46C H 0.215439 0.289451 0.328032 0.198 Uiso 1 1 calc GR . . . .
C47 C 0.1620(3) 0.2898(7) 0.3075(4) 0.088(4) Uani 1 1 d . . . . .
H47A H 0.170355 0.285438 0.344234 0.132 Uiso 1 1 calc GR . . . .
H47B H 0.141489 0.275708 0.295427 0.132 Uiso 1 1 calc GR . . . .
H47C H 0.164412 0.348326 0.297457 0.132 Uiso 1 1 calc GR . . . .
C48 C 0.1787(4) 0.1358(8) 0.3082(4) 0.126(6) Uani 1 1 d . . . . .
H48A H 0.185061 0.093277 0.289531 0.189 Uiso 1 1 calc GR . . . .
H48B H 0.159473 0.120582 0.306950 0.189 Uiso 1 1 calc GR . . . .
H48C H 0.192208 0.136774 0.343276 0.189 Uiso 1 1 calc GR . . . .
C49 C 0.1084(2) 0.1519(6) 0.0495(3) 0.058(2) Uani 1 1 d . . . . .
C50 C 0.0930(2) 0.0876(7) 0.0309(4) 0.064(3) Uani 1 1 d . . . . .
C51 C 0.0732(3) 0.0142(7) 0.0058(4) 0.078(3) Uani 1 1 d . . . . .
C52 C 0.0856(3) -0.0710(9) 0.0356(7) 0.154(7) Uani 1 1 d . . . . .
H52A H 0.102344 -0.089781 0.028647 0.230 Uiso 1 1 calc GR . . . .
H52B H 0.070717 -0.115569 0.024934 0.230 Uiso 1 1 calc GR . . . .
H52C H 0.091243 -0.060613 0.071640 0.230 Uiso 1 1 calc GR . . . .
C53 C 0.0440(3) 0.0340(9) 0.0123(6) 0.129(6) Uani 1 1 d . . . . .
H53A H 0.047307 0.035175 0.048156 0.194 Uiso 1 1 calc GR . . . .
H53B H 0.029941 -0.010540 -0.004379 0.194 Uiso 1 1 calc GR . . . .
H53C H 0.036710 0.089769 -0.002668 0.194 Uiso 1 1 calc GR . . . .
C54 C 0.0692(3) 0.0109(11) -0.0494(5) 0.134(6) Uani 1 1 d . . . . .
H54A H 0.064935 0.068428 -0.063934 0.202 Uiso 1 1 calc GR . . . .
H54B H 0.053217 -0.027589 -0.067457 0.202 Uiso 1 1 calc GR . . . .
H54C H 0.086882 -0.010328 -0.052455 0.202 Uiso 1 1 calc GR . . . .
C55 C 0.0694(2) 0.2553(7) 0.1041(3) 0.057(2) Uani 1 1 d . . . . .
C56 C 0.0444(3) 0.2745(8) 0.0788(4) 0.074(3) Uani 1 1 d . . . . .
C57 C 0.0131(2) 0.3037(9) 0.0598(5) 0.097(4) Uani 1 1 d . . . . .
C58 C -0.0058(3) 0.2436(12) 0.0114(7) 0.164(7) Uani 1 1 d . . . . .
H58A H -0.022295 0.276297 -0.010948 0.246 Uiso 1 1 calc GR . . . .
H58B H -0.012609 0.192600 0.023413 0.246 Uiso 1 1 calc GR . . . .
H58C H 0.006366 0.226334 -0.006851 0.246 Uiso 1 1 calc GR . . . .
C59 C 0.0035(4) 0.2947(16) 0.1073(8) 0.233(13) Uani 1 1 d . . . . .
H59A H 0.010695 0.240409 0.124553 0.350 Uiso 1 1 calc GR . . . .
H59B H -0.017506 0.296028 0.095721 0.350 Uiso 1 1 calc GR . . . .
H59C H 0.011618 0.342312 0.130610 0.350 Uiso 1 1 calc GR . . . .
C60 C 0.0113(4) 0.3966(11) 0.0397(9) 0.189(10) Uani 1 1 d . . . . .
H60A H 0.016684 0.436890 0.067829 0.284 Uiso 1 1 calc GR . . . .
H60B H -0.008386 0.408524 0.016490 0.284 Uiso 1 1 calc GR . . . .
H60C H 0.024535 0.403043 0.021978 0.284 Uiso 1 1 calc GR . . . .
C61 C 0.1754(2) 0.2376(6) 0.0956(4) 0.057(2) Uani 1 1 d . . . . .
C62 C 0.1996(2) 0.2053(6) 0.1097(4) 0.054(2) Uani 1 1 d . . . . .
C63 C 0.2310(2) 0.1841(7) 0.1279(4) 0.072(3) Uani 1 1 d . . . . .
C64 C 0.2454(3) 0.2222(10) 0.1869(5) 0.130(6) Uani 1 1 d . . . . .
H64A H 0.237723 0.279587 0.188065 0.195 Uiso 1 1 calc GR . . . .
H64B H 0.266335 0.225238 0.197451 0.195 Uiso 1 1 calc GR . . . .
H64C H 0.240402 0.184086 0.209479 0.195 Uiso 1 1 calc GR . . . .
C65 C 0.2437(3) 0.2262(9) 0.0929(7) 0.138(6) Uani 1 1 d . . . . .
H65A H 0.239660 0.287806 0.091016 0.208 Uiso 1 1 calc GR . . . .
H65B H 0.234973 0.200998 0.059379 0.208 Uiso 1 1 calc GR . . . .
H65C H 0.264520 0.216962 0.105983 0.208 Uiso 1 1 calc GR . . . .
C66 C 0.2363(3) 0.0850(8) 0.1292(5) 0.101(4) Uani 1 1 d . . . . .
H66A H 0.229922 0.058663 0.154188 0.152 Uiso 1 1 calc GR . . . .
H66B H 0.256855 0.073936 0.138136 0.152 Uiso 1 1 calc GR . . . .
H66C H 0.225403 0.060619 0.096044 0.152 Uiso 1 1 calc GR . . . .
C67 C 0.1808(2) 0.4135(6) 0.1676(4) 0.061(3) Uani 1 1 d . . . . .
C68 C 0.1980(2) 0.4587(6) 0.1582(4) 0.067(3) Uani 1 1 d . . . . .
C69 C 0.2216(3) 0.5237(7) 0.1635(5) 0.080(3) Uani 1 1 d . . . . .
C70 C 0.2435(3) 0.4907(9) 0.1405(5) 0.112(5) Uani 1 1 d . . . . .
H70A H 0.253975 0.441144 0.159677 0.168 Uiso 1 1 calc GR . . . .
H70B H 0.257243 0.536373 0.142001 0.168 Uiso 1 1 calc GR . . . .
H70C H 0.233123 0.474003 0.105469 0.168 Uiso 1 1 calc GR . . . .
C71 C 0.2080(3) 0.6032(8) 0.1308(8) 0.158(8) Uani 1 1 d . . . . .
H71A H 0.201035 0.587306 0.095247 0.237 Uiso 1 1 calc GR . . . .
H71B H 0.222550 0.648345 0.137432 0.237 Uiso 1 1 calc GR . . . .
H71C H 0.191903 0.624127 0.139079 0.237 Uiso 1 1 calc GR . . . .
C72 C 0.2360(4) 0.5446(11) 0.2194(6) 0.159(8) Uani 1 1 d . . . . .
H72A H 0.243819 0.492133 0.238196 0.238 Uiso 1 1 calc GR . . . .
H72B H 0.221701 0.569389 0.231314 0.238 Uiso 1 1 calc GR . . . .
H72C H 0.251543 0.585835 0.224549 0.238 Uiso 1 1 calc GR . . . .
C73 C 0.11501(19) 0.3749(6) 0.0451(3) 0.047(2) Uani 1 1 d . . . . .
C74 C 0.1079(2) 0.4511(7) 0.0426(3) 0.059(2) Uani 1 1 d . . . . .
C75 C 0.1009(3) 0.5460(7) 0.0307(5) 0.091(4) Uani 1 1 d . . . . .
C79 C 0.1810(2) 0.4252(7) 0.0310(4) 0.066(3) Uani 1 1 d . . . . .
C80 C 0.1835(3) 0.4508(7) -0.0072(4) 0.074(3) Uani 1 1 d . . . . .
C81 C 0.1900(3) 0.4967(9) -0.0477(5) 0.133(5) Uani 1 1 d D U . . .
Cu1 Cu 0.13261(2) 0.25967(6) 0.06148(4) 0.0434(3) Uani 1 1 d . . . . .
Cu2 Cu 0.10764(2) 0.20145(7) 0.12495(4) 0.0545(3) Uani 1 1 d . . . . .
Cu3 Cu 0.16213(3) 0.30429(7) 0.16793(4) 0.0600(3) Uani 1 1 d . . . . .
Cu4 Cu 0.16108(3) 0.13806(7) 0.12956(5) 0.0611(3) Uani 1 1 d . . . . .
Cu5 Cu 0.17464(3) 0.38401(8) 0.09031(4) 0.0640(4) Uani 1 1 d . . . . .
Cu6 Cu 0.10741(3) 0.38224(8) 0.11004(5) 0.0714(4) Uani 1 1 d . . . . .
Cu7 Cu 0.08883(3) 0.30676(9) 0.18137(5) 0.0715(4) Uani 1 1 d . . . . .
Cu8 Cu 0.09595(3) 0.28387(10) -0.03321(5) 0.0766(4) Uani 1 1 d . . . . .
Cu9 Cu 0.06898(3) 0.26059(10) 0.03148(5) 0.0817(4) Uani 1 1 d . . . . .
Cu10 Cu 0.16269(3) 0.00867(9) 0.07697(5) 0.0777(4) Uani 1 1 d . . . . .
Cu11 Cu 0.15284(3) 0.33474(10) -0.00878(5) 0.0861(5) Uani 1 1 d . . . . .
Cu12 Cu 0.14841(3) 0.45489(9) 0.18919(5) 0.0783(4) Uani 1 1 d . . . . .
Cu13 Cu 0.12944(3) 0.04984(8) 0.16623(5) 0.0684(4) Uani 1 1 d . . . . .
Cu14 Cu 0.08379(3) 0.13584(10) 0.20189(6) 0.0908(5) Uani 1 1 d . . . . .
Cu15 Cu 0.13934(4) 0.13351(10) -0.00434(6) 0.1056(6) Uani 1 1 d . . . . .
N1 N 0.1726(2) 0.5776(7) 0.2607(5) 0.086(3) Uani 1 1 d . . . . .
O1 O 0.1750(2) 0.5010(6) 0.2749(4) 0.116(3) Uani 1 1 d . . . . .
O2 O 0.1587(2) 0.5898(5) 0.2127(4) 0.108(3) Uani 1 1 d . . . . .
O3 O 0.1822(2) 0.6401(6) 0.2882(4) 0.121(3) 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
C76A C75 1.64(4) . ?
C78A C75 1.57(3) . ?
C77A C75 1.42(3) . ?
C76B C75 1.50(4) . ?
C78B C75 1.52(3) . ?
C77B C75 1.76(3) . ?
C29B C27 1.47(2) . ?
C28B C27 1.56(3) . ?
C30B C27 1.65(3) . ?
C28A C27 1.57(3) . ?
C29A C27 1.51(2) . ?
C30A C27 1.64(3) . ?
C36A C33 1.76(5) . ?
C35A C33 1.41(5) . ?
C34A C33 1.54(5) . ?
C36B C33 1.68(4) . ?
C35B C33 1.48(4) . ?
C34B C33 1.41(4) . ?
C4A C3 1.64(3) . ?
C5A C3 1.54(3) . ?
C6A C3 1.51(2) . ?
C4B C3 1.59(2) . ?
C5B C3 1.58(2) . ?
C6B C3 1.51(2) . ?
C10A C9 1.38(2) . ?
C11A C9 1.71(3) . ?
C12A C9 1.31(2) . ?
C10B C9 1.42(2) . ?
C11B C9 1.75(3) . ?
C12B C9 1.30(2) . ?
C84A C81 1.506(10) . ?
C83A C81 1.531(10) . ?
C82A C81 1.511(10) . ?
C84B C81 1.526(9) . ?
C83B C81 1.523(9) . ?
C82B C81 1.504(10) . ?
C1 C2 1.195(13) . ?
C1 Cu8 2.002(10) . ?
C1 Cu9 1.903(10) . ?
C2 C3 1.485(15) . ?
C2 Cu8 2.221(11) . ?
C7 C8 1.157(14) . ?
C7 Cu8 1.891(12) . ?
C7 Cu11 1.949(10) . ?
C7 Cu15 2.070(11) . ?
C8 C9 1.65(2) . ?
C8 Cu15 2.146(10) . ?
C13 C14 1.239(14) . ?
C13 Cu10 1.981(11) . ?
C13 Cu15 1.898(12) . ?
C14 C15 1.497(16) . ?
C14 Cu10 2.184(10) . ?
C15 C16 1.460(18) . ?
C15 C17 1.471(19) . ?
C15 C18 1.58(2) . ?
C19 C20 1.190(12) . ?
C19 Cu4 1.989(10) . ?
C19 Cu10 1.928(9) . ?
C19 Cu13 2.035(9) . ?
C20 C21 1.485(13) . ?
C20 Cu13 2.252(9) . ?
C21 C22 1.551(17) . ?
C21 C23 1.479(19) . ?
C21 C24 1.538(18) . ?
C25 C26 1.232(15) . ?
C25 Cu13 1.875(12) . ?
C25 Cu14 2.009(11) . ?
C26 C27 1.505(17) . ?
C26 Cu14 2.171(13) . ?
C31 C32 1.168(14) . ?
C31 Cu7 1.941(12) . ?
C31 Cu14 1.944(11) . ?
C32 C33 1.542(19) . ?
C32 Cu14 2.442(13) . ?
C37 C38 1.199(14) . ?
C37 Cu6 1.857(11) . ?
C37 Cu7 2.084(11) . ?
C37 Cu12 2.010(11) . ?
C38 C39 1.498(16) . ?
C38 Cu7 2.309(12) . ?
C39 C40 1.45(2) . ?
C39 C41 1.51(2) . ?
C39 C42 1.57(2) . ?
C43 C44 1.227(12) . ?
C43 Cu2 1.951(9) . ?
C43 Cu3 2.029(8) . ?
C43 Cu4 2.161(8) . ?
C43 Cu13 2.315(9) . ?
C44 C45 1.516(13) . ?
C44 Cu3 2.165(8) . ?
C45 C46 1.514(16) . ?
C45 C47 1.535(13) . ?
C45 C48 1.525(15) . ?
C49 C50 1.231(13) . ?
C49 Cu1 1.987(10) . ?
C49 Cu2 2.268(9) . ?
C49 Cu9 2.455(10) . ?
C49 Cu15 2.535(9) . ?
C50 C51 1.479(14) . ?
C51 C52 1.547(18) . ?
C51 C53 1.543(16) . ?
C51 C54 1.493(15) . ?
C55 C56 1.202(13) . ?
C55 Cu2 1.929(10) . ?
C55 Cu7 2.170(9) . ?
C55 Cu9 2.038(8) . ?
C56 C57 1.493(15) . ?
C56 Cu9 2.118(10) . ?
C57 C58 1.62(2) . ?
C57 C59 1.58(2) . ?
C57 C60 1.52(2) . ?
C61 C62 1.205(12) . ?
C61 Cu1 1.986(10) . ?
C61 Cu4 2.059(9) . ?
C61 Cu5 2.245(9) . ?
C62 C63 1.468(14) . ?
C62 Cu4 2.396(9) . ?
C63 C64 1.649(16) . ?
C63 C65 1.494(16) . ?
C63 C66 1.537(15) . ?
C67 C68 1.198(13) . ?
C67 Cu3 1.907(10) . ?
C67 Cu5 2.131(9) . ?
C67 Cu12 2.005(10) . ?
C68 C69 1.490(15) . ?
C68 Cu5 2.151(10) . ?
C69 C70 1.538(17) . ?
C69 C71 1.520(19) . ?
C69 C72 1.497(17) . ?
C73 C74 1.212(12) . ?
C73 Cu1 1.942(9) . ?
C73 Cu6 2.002(8) . ?
C73 Cu8 2.476(9) . ?
C74 C75 1.500(15) . ?
C74 Cu6 2.181(9) . ?
C79 C80 1.194(13) . ?
C79 Cu5 1.916(10) . ?
C79 Cu11 1.979(10) . ?
C80 C81 1.472(15) . ?
C80 Cu11 2.319(11) . ?
Cu1 Cu2 2.6718(15) . ?
Cu1 Cu3 2.8791(16) . ?
Cu1 Cu4 2.6612(15) . ?
Cu1 Cu5 2.6990(16) . ?
Cu1 Cu6 2.8620(15) . ?
Cu1 Cu8 2.6233(16) . ?
Cu1 Cu9 2.9152(18) . ?
Cu1 Cu11 2.7745(17) . ?
Cu1 Cu15 2.7806(18) . ?
Cu2 Cu3 2.9451(17) . ?
Cu2 Cu4 2.7556(17) . ?
Cu2 Cu6 2.7980(18) . ?
Cu2 Cu7 2.6600(17) . ?
Cu2 Cu9 2.7567(17) . ?
Cu2 Cu13 2.6358(17) . ?
Cu2 Cu14 2.9963(19) . ?
Cu3 Cu4 2.7568(16) . ?
Cu3 Cu5 2.7662(16) . ?
Cu3 Cu6 2.8311(19) . ?
Cu3 Cu12 2.5353(18) . ?
Cu4 Cu10 2.4918(17) . ?
Cu4 Cu13 2.5513(16) . ?
Cu5 Cu11 2.6936(19) . ?
Cu6 Cu7 2.7527(18) . ?
Cu6 Cu9 2.964(2) . ?
Cu6 Cu12 2.625(2) . ?
Cu7 Cu14 2.710(2) . ?
Cu8 Cu9 2.6479(18) . ?
Cu8 Cu11 2.728(2) . ?
Cu8 Cu15 3.033(2) . ?
Cu10 Cu15 2.870(2) . ?
Cu12 O1 2.379(10) . ?
Cu12 O2 2.169(9) . ?
N1 O1 1.230(12) . ?
N1 O2 1.279(12) . ?
N1 O3 1.210(11) . ?

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
C2 C1 Cu8 83.9(8) . . ?
C2 C1 Cu9 169.2(9) . . ?
Cu9 C1 Cu8 85.4(4) . . ?
C1 C2 C3 167.4(12) . . ?
C1 C2 Cu8 63.7(7) . . ?
C3 C2 Cu8 128.9(9) . . ?
C5A C3 C4A 85(2) . . ?
C6A C3 C4A 105(2) . . ?
C6A C3 C5A 130(2) . . ?
C5B C3 C4B 113.9(17) . . ?
C6B C3 C4B 110.1(18) . . ?
C6B C3 C5B 107.7(17) . . ?
C2 C3 C4A 104.5(17) . . ?
C2 C3 C5A 111.7(18) . . ?
C2 C3 C6A 112.6(17) . . ?
C2 C3 C4B 107.5(13) . . ?
C2 C3 C5B 105.0(14) . . ?
C2 C3 C6B 112.6(15) . . ?
C8 C7 Cu8 161.2(11) . . ?
C8 C7 Cu11 108.3(10) . . ?
C8 C7 Cu15 77.8(8) . . ?
Cu8 C7 Cu11 90.5(4) . . ?
Cu8 C7 Cu15 99.8(5) . . ?
Cu11 C7 Cu15 103.8(5) . . ?
C7 C8 C9 167.1(15) . . ?
C7 C8 Cu15 70.5(7) . . ?
C9 C8 Cu15 120.9(10) . . ?
C10A C9 C11A 105.4(17) . . ?
C10A C9 C8 99(2) . . ?
C12A C9 C10A 131(2) . . ?
C12A C9 C11A 107.5(17) . . ?
C12A C9 C8 110(3) . . ?
C10B C9 C11B 100.8(15) . . ?
C10B C9 C8 111(2) . . ?
C12B C9 C10B 128(2) . . ?
C12B C9 C11B 106.3(17) . . ?
C12B C9 C8 109(2) . . ?
C8 C9 C11A 98.4(16) . . ?
C8 C9 C11B 95.8(15) . . ?
C14 C13 Cu10 82.0(8) . . ?
C14 C13 Cu15 177.3(9) . . ?
Cu15 C13 Cu10 95.4(4) . . ?
C13 C14 C15 169.9(12) . . ?
C13 C14 Cu10 63.9(6) . . ?
C15 C14 Cu10 125.6(8) . . ?
C14 C15 C18 106.6(11) . . ?
C16 C15 C14 106.7(12) . . ?
C16 C15 C17 109.3(12) . . ?
C16 C15 C18 108.2(12) . . ?
C17 C15 C14 113.9(12) . . ?
C17 C15 C18 111.8(14) . . ?
C20 C19 Cu4 159.1(8) . . ?
C20 C19 Cu10 121.2(8) . . ?
C20 C19 Cu13 84.2(7) . . ?
Cu4 C19 Cu13 78.7(3) . . ?
Cu10 C19 Cu4 79.0(4) . . ?
Cu10 C19 Cu13 125.9(5) . . ?
C19 C20 C21 172.7(11) . . ?
C19 C20 Cu13 64.1(6) . . ?
C21 C20 Cu13 123.1(7) . . ?
C20 C21 C22 108.6(9) . . ?
C20 C21 C24 107.0(10) . . ?
C23 C21 C20 109.6(11) . . ?
C23 C21 C22 113.7(14) . . ?
C23 C21 C24 107.8(13) . . ?
C24 C21 C22 110.0(12) . . ?
C26 C25 Cu13 174.8(12) . . ?
C26 C25 Cu14 80.2(9) . . ?
Cu13 C25 Cu14 104.6(5) . . ?
C25 C26 C27 165.3(15) . . ?
C25 C26 Cu14 65.8(8) . . ?
C27 C26 Cu14 128.9(10) . . ?
C29B C27 C28B 109(2) . . ?
C29B C27 C30B 115(2) . . ?
C29B C27 C26 111.1(18) . . ?
C28B C27 C30B 112(2) . . ?
C28A C27 C30A 109(2) . . ?
C29A C27 C28A 117(2) . . ?
C29A C27 C30A 106(2) . . ?
C26 C27 C28B 109.2(19) . . ?
C26 C27 C30B 100.7(17) . . ?
C26 C27 C28A 109.4(18) . . ?
C26 C27 C29A 105.6(17) . . ?
C26 C27 C30A 109.9(16) . . ?
C32 C31 Cu7 170.5(12) . . ?
C32 C31 Cu14 100.4(11) . . ?
Cu7 C31 Cu14 88.5(4) . . ?
C31 C32 C33 170.1(18) . . ?
C31 C32 Cu14 51.5(8) . . ?
C33 C32 Cu14 137.9(14) . . ?
C35A C33 C36A 95(3) . . ?
C35A C33 C34A 111(3) . . ?
C35A C33 C32 116(3) . . ?
C34A C33 C36A 120(3) . . ?
C34A C33 C32 110(2) . . ?
C35B C33 C36B 116(3) . . ?
C35B C33 C32 114(2) . . ?
C34B C33 C36B 99(3) . . ?
C34B C33 C35B 112(3) . . ?
C34B C33 C32 112(2) . . ?
C32 C33 C36A 105(2) . . ?
C32 C33 C36B 104(2) . . ?
C38 C37 Cu6 161.4(11) . . ?
C38 C37 Cu7 84.9(9) . . ?
C38 C37 Cu12 112.5(10) . . ?
Cu6 C37 Cu7 88.4(4) . . ?
Cu6 C37 Cu12 85.4(4) . . ?
Cu12 C37 Cu7 125.7(5) . . ?
C37 C38 C39 166.4(15) . . ?
C37 C38 Cu7 64.0(7) . . ?
C39 C38 Cu7 128.8(11) . . ?
C38 C39 C41 107.5(12) . . ?
C38 C39 C42 107.2(12) . . ?
C40 C39 C38 114.0(14) . . ?
C40 C39 C41 105.0(15) . . ?
C40 C39 C42 111.5(14) . . ?
C41 C39 C42 111.6(14) . . ?
C44 C43 Cu2 150.5(8) . . ?
C44 C43 Cu3 79.1(6) . . ?
C44 C43 Cu4 123.2(7) . . ?
C44 C43 Cu13 121.7(7) . . ?
Cu2 C43 Cu3 95.4(3) . . ?
Cu2 C43 Cu4 84.0(3) . . ?
Cu2 C43 Cu13 75.8(3) . . ?
Cu3 C43 Cu4 82.2(3) . . ?
Cu3 C43 Cu13 150.9(4) . . ?
Cu4 C43 Cu13 69.4(3) . . ?
C43 C44 C45 166.3(9) . . ?
C43 C44 Cu3 67.0(5) . . ?
C45 C44 Cu3 126.6(7) . . ?
C44 C45 C47 109.8(8) . . ?
C44 C45 C48 107.4(9) . . ?
C46 C45 C44 111.7(9) . . ?
C46 C45 C47 108.4(10) . . ?
C46 C45 C48 110.3(11) . . ?
C48 C45 C47 109.1(9) . . ?
C50 C49 Cu1 165.4(8) . . ?
C50 C49 Cu2 116.4(7) . . ?
C50 C49 Cu9 98.3(7) . . ?
C50 C49 Cu15 93.7(7) . . ?
Cu1 C49 Cu2 77.5(3) . . ?
Cu1 C49 Cu9 81.3(3) . . ?
Cu1 C49 Cu15 74.8(3) . . ?
Cu2 C49 Cu9 71.3(3) . . ?
Cu2 C49 Cu15 145.2(5) . . ?
Cu9 C49 Cu15 123.7(4) . . ?
C49 C50 C51 176.1(11) . . ?
C50 C51 C52 109.1(9) . . ?
C50 C51 C53 105.5(10) . . ?
C50 C51 C54 109.3(9) . . ?
C53 C51 C52 107.0(11) . . ?
C54 C51 C52 114.1(12) . . ?
C54 C51 C53 111.5(11) . . ?
C56 C55 Cu2 161.1(9) . . ?
C56 C55 Cu7 118.2(8) . . ?
C56 C55 Cu9 76.9(7) . . ?
Cu2 C55 Cu7 80.7(3) . . ?
Cu2 C55 Cu9 88.0(4) . . ?
Cu9 C55 Cu7 145.8(5) . . ?
C55 C56 C57 166.1(11) . . ?
C55 C56 Cu9 69.6(6) . . ?
C57 C56 Cu9 123.9(9) . . ?
C56 C57 C58 108.6(11) . . ?
C56 C57 C59 105.3(11) . . ?
C56 C57 C60 108.8(11) . . ?
C59 C57 C58 113.8(14) . . ?
C60 C57 C58 106.5(14) . . ?
C60 C57 C59 113.7(15) . . ?
C62 C61 Cu1 163.9(9) . . ?
C62 C61 Cu4 90.6(7) . . ?
C62 C61 Cu5 114.9(7) . . ?
Cu1 C61 Cu4 82.3(4) . . ?
Cu1 C61 Cu5 79.0(3) . . ?
Cu4 C61 Cu5 140.2(5) . . ?
C61 C62 C63 168.6(10) . . ?
C61 C62 Cu4 59.2(6) . . ?
C63 C62 Cu4 129.9(7) . . ?
C62 C63 C64 105.7(9) . . ?
C62 C63 C65 108.5(9) . . ?
C62 C63 C66 111.9(9) . . ?
C65 C63 C64 112.6(11) . . ?
C65 C63 C66 109.4(9) . . ?
C66 C63 C64 108.7(10) . . ?
C68 C67 Cu3 152.5(9) . . ?
C68 C67 Cu5 74.7(7) . . ?
C68 C67 Cu12 126.3(8) . . ?
Cu3 C67 Cu5 86.3(4) . . ?
Cu3 C67 Cu12 80.7(4) . . ?
Cu12 C67 Cu5 123.6(5) . . ?
C67 C68 C69 161.7(11) . . ?
C67 C68 Cu5 72.8(6) . . ?
C69 C68 Cu5 125.5(8) . . ?
C68 C69 C70 112.2(9) . . ?
C68 C69 C71 109.0(10) . . ?
C68 C69 C72 106.9(10) . . ?
C71 C69 C70 103.0(11) . . ?
C72 C69 C70 112.6(12) . . ?
C72 C69 C71 113.1(12) . . ?
C74 C73 Cu1 168.7(8) . . ?
C74 C73 Cu6 81.5(6) . . ?
C74 C73 Cu8 119.0(7) . . ?
Cu1 C73 Cu6 93.0(4) . . ?
Cu1 C73 Cu8 71.7(3) . . ?
Cu6 C73 Cu8 135.0(4) . . ?
C73 C74 C75 168.8(10) . . ?
C73 C74 Cu6 65.2(6) . . ?
C75 C74 Cu6 125.8(8) . . ?
C78A C75 C76A 106.2(19) . . ?
C77A C75 C76A 123(2) . . ?
C77A C75 C78A 108(2) . . ?
C77A C75 C74 105.9(16) . . ?
C76B C75 C78B 112(2) . . ?
C76B C75 C77B 117.3(19) . . ?
C78B C75 C77B 101.7(18) . . ?
C74 C75 C76A 104.1(15) . . ?
C74 C75 C78A 109.6(14) . . ?
C74 C75 C76B 108.4(16) . . ?
C74 C75 C78B 109.6(14) . . ?
C74 C75 C77B 107.7(13) . . ?
C80 C79 Cu5 177.0(10) . . ?
C80 C79 Cu11 90.4(8) . . ?
Cu5 C79 Cu11 87.5(4) . . ?
C79 C80 C81 168.6(12) . . ?
C79 C80 Cu11 58.6(7) . . ?
C81 C80 Cu11 132.7(9) . . ?
C84A C81 C83A 107.7(9) . . ?
C84A C81 C82A 110.1(9) . . ?
C82A C81 C83A 107.4(9) . . ?
C83B C81 C84B 106.9(9) . . ?
C82B C81 C84B 108.8(9) . . ?
C82B C81 C83B 108.6(9) . . ?
C80 C81 C84A 109.9(16) . . ?
C80 C81 C83A 107.6(16) . . ?
C80 C81 C82A 113.9(16) . . ?
C80 C81 C84B 109.1(15) . . ?
C80 C81 C83B 106.6(15) . . ?
C80 C81 C82B 116.5(17) . . ?
C49 Cu1 Cu2 56.0(3) . . ?
C49 Cu1 Cu3 114.1(3) . . ?
C49 Cu1 Cu4 70.2(3) . . ?
C49 Cu1 Cu5 168.0(3) . . ?
C49 Cu1 Cu6 106.6(3) . . ?
C49 Cu1 Cu8 78.8(3) . . ?
C49 Cu1 Cu9 56.3(3) . . ?
C49 Cu1 Cu11 125.1(3) . . ?
C49 Cu1 Cu15 61.6(3) . . ?
C61 Cu1 C49 113.5(4) . . ?
C61 Cu1 Cu2 106.8(3) . . ?
C61 Cu1 Cu3 60.6(3) . . ?
C61 Cu1 Cu4 50.0(3) . . ?
C61 Cu1 Cu5 54.8(3) . . ?
C61 Cu1 Cu6 116.7(3) . . ?
C61 Cu1 Cu8 135.5(3) . . ?
C61 Cu1 Cu9 165.1(3) . . ?
C61 Cu1 Cu11 79.5(3) . . ?
C61 Cu1 Cu15 80.5(3) . . ?
C73 Cu1 C49 121.9(4) . . ?
C73 Cu1 C61 124.4(4) . . ?
C73 Cu1 Cu2 100.8(2) . . ?
C73 Cu1 Cu3 92.1(3) . . ?
C73 Cu1 Cu4 150.8(3) . . ?
C73 Cu1 Cu5 69.7(3) . . ?
C73 Cu1 Cu6 44.3(2) . . ?
C73 Cu1 Cu8 63.6(3) . . ?
C73 Cu1 Cu9 66.0(3) . . ?
C73 Cu1 Cu11 72.6(2) . . ?
C73 Cu1 Cu15 128.7(3) . . ?
Cu2 Cu1 Cu3 63.96(4) . . ?
Cu2 Cu1 Cu5 121.70(5) . . ?
Cu2 Cu1 Cu6 60.63(4) . . ?
Cu2 Cu1 Cu9 58.94(4) . . ?
Cu2 Cu1 Cu11 172.91(6) . . ?
Cu2 Cu1 Cu15 114.43(6) . . ?
Cu3 Cu1 Cu9 111.51(5) . . ?
Cu4 Cu1 Cu2 62.22(4) . . ?
Cu4 Cu1 Cu3 59.53(4) . . ?
Cu4 Cu1 Cu5 98.09(5) . . ?
Cu4 Cu1 Cu6 108.59(5) . . ?
Cu4 Cu1 Cu9 115.37(5) . . ?
Cu4 Cu1 Cu11 124.84(6) . . ?
Cu4 Cu1 Cu15 80.37(5) . . ?
Cu5 Cu1 Cu3 59.35(4) . . ?
Cu5 Cu1 Cu6 79.25(5) . . ?
Cu5 Cu1 Cu9 134.39(6) . . ?
Cu5 Cu1 Cu11 58.94(4) . . ?
Cu5 Cu1 Cu15 114.90(6) . . ?
Cu6 Cu1 Cu3 59.09(4) . . ?
Cu6 Cu1 Cu9 61.73(5) . . ?
Cu8 Cu1 Cu2 114.50(5) . . ?
Cu8 Cu1 Cu3 155.47(6) . . ?
Cu8 Cu1 Cu4 143.65(6) . . ?
Cu8 Cu1 Cu5 111.20(5) . . ?
Cu8 Cu1 Cu6 97.94(5) . . ?
Cu8 Cu1 Cu9 56.83(4) . . ?
Cu8 Cu1 Cu11 60.64(5) . . ?
Cu8 Cu1 Cu15 68.20(6) . . ?
Cu11 Cu1 Cu3 117.96(5) . . ?
Cu11 Cu1 Cu6 113.84(6) . . ?
Cu11 Cu1 Cu9 115.05(5) . . ?
Cu11 Cu1 Cu15 69.40(5) . . ?
Cu15 Cu1 Cu3 135.98(6) . . ?
Cu15 Cu1 Cu6 162.65(6) . . ?
Cu15 Cu1 Cu9 101.13(6) . . ?
C43 Cu2 C49 116.2(3) . . ?
C43 Cu2 Cu1 94.5(2) . . ?
C43 Cu2 Cu3 43.3(2) . . ?
C43 Cu2 Cu4 51.3(2) . . ?
C43 Cu2 Cu6 98.0(2) . . ?
C43 Cu2 Cu7 87.0(3) . . ?
C43 Cu2 Cu9 157.1(2) . . ?
C43 Cu2 Cu13 58.4(2) . . ?
C43 Cu2 Cu14 81.5(2) . . ?
C49 Cu2 Cu1 46.6(3) . . ?
C49 Cu2 Cu3 103.4(3) . . ?
C49 Cu2 Cu4 65.0(2) . . ?
C49 Cu2 Cu6 101.0(3) . . ?
C49 Cu2 Cu7 153.2(3) . . ?
C49 Cu2 Cu9 57.5(2) . . ?
C49 Cu2 Cu13 88.4(3) . . ?
C49 Cu2 Cu14 135.5(3) . . ?
C55 Cu2 C43 140.6(4) . . ?
C55 Cu2 C49 102.3(4) . . ?
C55 Cu2 Cu1 107.0(3) . . ?
C55 Cu2 Cu3 121.8(3) . . ?
C55 Cu2 Cu4 165.0(3) . . ?
C55 Cu2 Cu6 65.4(3) . . ?
C55 Cu2 Cu7 53.6(3) . . ?
C55 Cu2 Cu9 47.6(3) . . ?
C55 Cu2 Cu13 134.3(3) . . ?
C55 Cu2 Cu14 76.3(3) . . ?
Cu1 Cu2 Cu3 61.44(4) . . ?
Cu1 Cu2 Cu4 58.70(4) . . ?
Cu1 Cu2 Cu6 63.05(4) . . ?
Cu1 Cu2 Cu9 64.94(5) . . ?
Cu1 Cu2 Cu14 176.03(6) . . ?
Cu3 Cu2 Cu14 115.07(5) . . ?
Cu4 Cu2 Cu3 57.73(4) . . ?
Cu4 Cu2 Cu6 107.78(5) . . ?
Cu4 Cu2 Cu9 117.58(5) . . ?
Cu4 Cu2 Cu14 118.16(5) . . ?
Cu6 Cu2 Cu3 59.00(4) . . ?
Cu6 Cu2 Cu14 117.34(5) . . ?
Cu7 Cu2 Cu1 123.16(6) . . ?
Cu7 Cu2 Cu3 84.07(5) . . ?
Cu7 Cu2 Cu4 136.34(6) . . ?
Cu7 Cu2 Cu6 60.51(4) . . ?
Cu7 Cu2 Cu9 95.87(6) . . ?
Cu7 Cu2 Cu14 56.88(5) . . ?
Cu9 Cu2 Cu3 114.25(5) . . ?
Cu9 Cu2 Cu6 64.50(5) . . ?
Cu9 Cu2 Cu14 118.97(6) . . ?
Cu13 Cu2 Cu1 112.08(5) . . ?
Cu13 Cu2 Cu3 97.65(5) . . ?
Cu13 Cu2 Cu4 56.43(4) . . ?
Cu13 Cu2 Cu6 156.18(6) . . ?
Cu13 Cu2 Cu7 116.41(6) . . ?
Cu13 Cu2 Cu9 136.90(6) . . ?
Cu13 Cu2 Cu14 65.83(5) . . ?
C43 Cu3 C44 33.8(3) . . ?
C43 Cu3 Cu1 86.8(2) . . ?
C43 Cu3 Cu2 41.3(2) . . ?
C43 Cu3 Cu4 51.0(2) . . ?
C43 Cu3 Cu5 141.7(2) . . ?
C43 Cu3 Cu6 95.1(3) . . ?
C43 Cu3 Cu12 122.2(2) . . ?
C44 Cu3 Cu1 120.5(3) . . ?
C44 Cu3 Cu2 72.3(3) . . ?
C44 Cu3 Cu4 74.4(2) . . ?
C44 Cu3 Cu5 165.0(2) . . ?
C44 Cu3 Cu6 113.7(2) . . ?
C44 Cu3 Cu12 106.8(2) . . ?
C67 Cu3 C43 168.0(4) . . ?
C67 Cu3 C44 134.6(4) . . ?
C67 Cu3 Cu1 104.9(3) . . ?
C67 Cu3 Cu2 146.1(3) . . ?
C67 Cu3 Cu4 138.2(3) . . ?
C67 Cu3 Cu5 50.2(3) . . ?
C67 Cu3 Cu6 88.9(3) . . ?
C67 Cu3 Cu12 51.3(3) . . ?
Cu1 Cu3 Cu2 54.60(4) . . ?
Cu4 Cu3 Cu1 56.30(4) . . ?
Cu4 Cu3 Cu2 57.68(4) . . ?
Cu4 Cu3 Cu5 94.27(5) . . ?
Cu4 Cu3 Cu6 106.81(5) . . ?
Cu5 Cu3 Cu1 57.08(4) . . ?
Cu5 Cu3 Cu2 110.39(5) . . ?
Cu5 Cu3 Cu6 78.68(5) . . ?
Cu6 Cu3 Cu1 60.15(4) . . ?
Cu6 Cu3 Cu2 57.90(4) . . ?
Cu12 Cu3 Cu1 112.76(6) . . ?
Cu12 Cu3 Cu2 107.56(6) . . ?
Cu12 Cu3 Cu4 164.57(7) . . ?
Cu12 Cu3 Cu5 86.75(5) . . ?
Cu12 Cu3 Cu6 58.25(5) . . ?
C19 Cu4 C43 102.8(3) . . ?
C19 Cu4 C61 146.3(4) . . ?
C19 Cu4 C62 119.7(3) . . ?
C19 Cu4 Cu1 144.7(3) . . ?
C19 Cu4 Cu2 108.7(3) . . ?
C19 Cu4 Cu3 145.1(3) . . ?
C19 Cu4 Cu10 49.4(3) . . ?
C19 Cu4 Cu13 51.5(2) . . ?
C43 Cu4 C62 122.5(3) . . ?
C43 Cu4 Cu1 90.0(2) . . ?
C43 Cu4 Cu2 44.8(2) . . ?
C43 Cu4 Cu3 46.8(2) . . ?
C43 Cu4 Cu10 147.0(2) . . ?
C43 Cu4 Cu13 58.2(2) . . ?
C61 Cu4 C43 108.9(4) . . ?
C61 Cu4 C62 30.2(3) . . ?
C61 Cu4 Cu1 47.7(3) . . ?
C61 Cu4 Cu2 101.8(3) . . ?
C61 Cu4 Cu3 62.6(3) . . ?
C61 Cu4 Cu10 102.7(3) . . ?
C61 Cu4 Cu13 161.2(3) . . ?
C62 Cu4 Cu1 77.2(2) . . ?
C62 Cu4 Cu2 131.2(2) . . ?
C62 Cu4 Cu3 78.2(2) . . ?
C62 Cu4 Cu10 89.9(2) . . ?
C62 Cu4 Cu13 167.4(2) . . ?
Cu1 Cu4 Cu2 59.08(4) . . ?
Cu1 Cu4 Cu3 64.17(4) . . ?
Cu2 Cu4 Cu3 64.59(4) . . ?
Cu10 Cu4 Cu1 104.66(6) . . ?
Cu10 Cu4 Cu2 119.61(7) . . ?
Cu10 Cu4 Cu3 165.06(6) . . ?
Cu10 Cu4 Cu13 88.85(6) . . ?
Cu13 Cu4 Cu1 115.24(6) . . ?
Cu13 Cu4 Cu2 59.41(5) . . ?
Cu13 Cu4 Cu3 104.74(6) . . ?
C61 Cu5 Cu1 46.3(2) . . ?
C61 Cu5 Cu3 60.7(2) . . ?
C61 Cu5 Cu11 77.3(2) . . ?
C67 Cu5 C61 98.7(4) . . ?
C67 Cu5 C68 32.5(4) . . ?
C67 Cu5 Cu1 104.8(3) . . ?
C67 Cu5 Cu3 43.5(3) . . ?
C67 Cu5 Cu11 165.0(3) . . ?
C68 Cu5 C61 118.8(4) . . ?
C68 Cu5 Cu1 137.3(3) . . ?
C68 Cu5 Cu3 74.7(3) . . ?
C68 Cu5 Cu11 160.2(3) . . ?
C79 Cu5 C61 112.4(4) . . ?
C79 Cu5 C67 144.5(4) . . ?
C79 Cu5 C68 113.1(4) . . ?
C79 Cu5 Cu1 109.0(3) . . ?
C79 Cu5 Cu3 172.1(3) . . ?
C79 Cu5 Cu11 47.2(3) . . ?
Cu1 Cu5 Cu3 63.57(4) . . ?
Cu11 Cu5 Cu1 61.93(4) . . ?
Cu11 Cu5 Cu3 125.10(6) . . ?
C37 Cu6 C73 160.4(4) . . ?
C37 Cu6 C74 129.6(4) . . ?
C37 Cu6 Cu1 148.4(3) . . ?
C37 Cu6 Cu2 102.9(3) . . ?
C37 Cu6 Cu3 89.3(3) . . ?
C37 Cu6 Cu7 49.2(3) . . ?
C37 Cu6 Cu9 132.5(4) . . ?
C37 Cu6 Cu12 49.7(4) . . ?
C73 Cu6 C74 33.3(3) . . ?
C73 Cu6 Cu1 42.7(3) . . ?
C73 Cu6 Cu2 95.2(3) . . ?
C73 Cu6 Cu3 92.3(3) . . ?
C73 Cu6 Cu7 150.4(3) . . ?
C73 Cu6 Cu9 64.4(3) . . ?
C73 Cu6 Cu12 116.9(3) . . ?
C74 Cu6 Cu1 75.7(3) . . ?
C74 Cu6 Cu2 127.5(3) . . ?
C74 Cu6 Cu3 112.7(3) . . ?
C74 Cu6 Cu7 162.5(3) . . ?
C74 Cu6 Cu9 82.3(3) . . ?
C74 Cu6 Cu12 106.2(3) . . ?
Cu1 Cu6 Cu9 60.02(4) . . ?
Cu2 Cu6 Cu1 56.32(4) . . ?
Cu2 Cu6 Cu3 63.09(4) . . ?
Cu2 Cu6 Cu9 57.07(4) . . ?
Cu3 Cu6 Cu1 60.75(4) . . ?
Cu3 Cu6 Cu9 111.46(6) . . ?
Cu7 Cu6 Cu1 113.25(6) . . ?
Cu7 Cu6 Cu2 57.26(4) . . ?
Cu7 Cu6 Cu3 84.61(5) . . ?
Cu7 Cu6 Cu9 89.33(6) . . ?
Cu12 Cu6 Cu1 110.59(6) . . ?
Cu12 Cu6 Cu2 109.44(6) . . ?
Cu12 Cu6 Cu3 55.22(5) . . ?
Cu12 Cu6 Cu7 85.24(6) . . ?
Cu12 Cu6 Cu9 166.00(7) . . ?
C31 Cu7 C37 139.4(5) . . ?
C31 Cu7 C38 110.5(5) . . ?
C31 Cu7 C55 116.6(4) . . ?
C31 Cu7 Cu2 113.0(3) . . ?
C31 Cu7 Cu6 173.3(3) . . ?
C31 Cu7 Cu14 45.8(3) . . ?
C37 Cu7 C38 31.1(4) . . ?
C37 Cu7 C55 102.6(4) . . ?
C37 Cu7 Cu2 101.4(3) . . ?
C37 Cu7 Cu6 42.4(3) . . ?
C37 Cu7 Cu14 162.7(3) . . ?
C38 Cu7 Cu2 132.4(4) . . ?
C38 Cu7 Cu6 72.6(4) . . ?
C38 Cu7 Cu14 155.1(3) . . ?
C55 Cu7 C38 124.3(4) . . ?
C55 Cu7 Cu2 45.7(3) . . ?
C55 Cu7 Cu6 64.0(2) . . ?
C55 Cu7 Cu14 79.8(3) . . ?
Cu2 Cu7 Cu6 62.22(4) . . ?
Cu2 Cu7 Cu14 67.82(5) . . ?
Cu14 Cu7 Cu6 129.97(6) . . ?
C1 Cu8 C2 32.3(4) . . ?
C1 Cu8 C73 96.9(4) . . ?
C1 Cu8 Cu1 112.9(3) . . ?
C1 Cu8 Cu9 45.7(3) . . ?
C1 Cu8 Cu11 161.4(3) . . ?
C1 Cu8 Cu15 128.3(3) . . ?
C2 Cu8 C73 117.6(4) . . ?
C2 Cu8 Cu1 145.1(3) . . ?
C2 Cu8 Cu9 78.1(3) . . ?
C2 Cu8 Cu11 147.7(3) . . ?
C2 Cu8 Cu15 135.5(3) . . ?
C7 Cu8 C1 152.5(5) . . ?
C7 Cu8 C2 128.4(4) . . ?
C7 Cu8 C73 110.0(4) . . ?
C7 Cu8 Cu1 84.3(3) . . ?
C7 Cu8 Cu9 143.3(3) . . ?
C7 Cu8 Cu11 45.6(3) . . ?
C7 Cu8 Cu15 42.3(3) . . ?
C73 Cu8 Cu1 44.7(2) . . ?
C73 Cu8 Cu9 65.3(2) . . ?
C73 Cu8 Cu11 66.8(2) . . ?
C73 Cu8 Cu15 101.3(2) . . ?
Cu1 Cu8 Cu9 67.15(5) . . ?
Cu1 Cu8 Cu11 62.42(5) . . ?
Cu1 Cu8 Cu15 58.36(5) . . ?
Cu9 Cu8 Cu11 126.48(6) . . ?
Cu9 Cu8 Cu15 101.32(6) . . ?
Cu11 Cu8 Cu15 66.35(6) . . ?
C1 Cu9 C49 107.9(4) . . ?
C1 Cu9 C55 157.5(4) . . ?
C1 Cu9 C56 124.1(4) . . ?
C1 Cu9 Cu1 104.9(3) . . ?
C1 Cu9 Cu2 158.1(3) . . ?
C1 Cu9 Cu6 124.1(3) . . ?
C1 Cu9 Cu8 48.9(3) . . ?
C49 Cu9 Cu1 42.4(2) . . ?
C49 Cu9 Cu2 51.2(2) . . ?
C49 Cu9 Cu6 92.3(2) . . ?
C49 Cu9 Cu8 71.0(2) . . ?
C55 Cu9 C49 93.2(3) . . ?
C55 Cu9 C56 33.6(4) . . ?
C55 Cu9 Cu1 95.9(3) . . ?
C55 Cu9 Cu2 44.4(3) . . ?
C55 Cu9 Cu6 60.8(3) . . ?
C55 Cu9 Cu8 151.2(3) . . ?
C56 Cu9 C49 121.9(4) . . ?
C56 Cu9 Cu1 128.4(3) . . ?
C56 Cu9 Cu2 77.5(3) . . ?
C56 Cu9 Cu6 79.7(3) . . ?
C56 Cu9 Cu8 165.9(3) . . ?
Cu1 Cu9 Cu6 58.25(4) . . ?
Cu2 Cu9 Cu1 56.12(4) . . ?
Cu2 Cu9 Cu6 58.43(4) . . ?
Cu8 Cu9 Cu1 56.02(4) . . ?
Cu8 Cu9 Cu2 110.96(6) . . ?
Cu8 Cu9 Cu6 94.93(6) . . ?
C13 Cu10 C14 34.2(4) . . ?
C13 Cu10 Cu4 120.7(3) . . ?
C13 Cu10 Cu15 41.2(3) . . ?
C14 Cu10 Cu4 151.3(3) . . ?
C14 Cu10 Cu15 75.4(3) . . ?
C19 Cu10 C13 170.7(5) . . ?
C19 Cu10 C14 154.8(4) . . ?
C19 Cu10 Cu4 51.6(3) . . ?
C19 Cu10 Cu15 129.7(3) . . ?
Cu4 Cu10 Cu15 81.53(6) . . ?
C7 Cu11 C79 175.4(5) . . ?
C7 Cu11 C80 145.8(4) . . ?
C7 Cu11 Cu1 79.2(3) . . ?
C7 Cu11 Cu5 137.8(3) . . ?
C7 Cu11 Cu8 43.9(3) . . ?
C79 Cu11 C80 31.0(4) . . ?
C79 Cu11 Cu1 104.3(3) . . ?
C79 Cu11 Cu5 45.3(3) . . ?
C79 Cu11 Cu8 140.7(3) . . ?
C80 Cu11 Cu1 135.0(3) . . ?
C80 Cu11 Cu5 76.3(3) . . ?
C80 Cu11 Cu8 145.1(3) . . ?
Cu5 Cu11 Cu1 59.13(4) . . ?
Cu5 Cu11 Cu8 108.19(7) . . ?
Cu8 Cu11 Cu1 56.94(4) . . ?
C37 Cu12 Cu3 94.9(3) . . ?
C37 Cu12 Cu6 44.9(3) . . ?
C37 Cu12 O1 117.0(4) . . ?
C37 Cu12 O2 112.7(4) . . ?
C67 Cu12 C37 136.0(4) . . ?
C67 Cu12 Cu3 47.9(3) . . ?
C67 Cu12 Cu6 92.9(3) . . ?
C67 Cu12 O1 101.9(4) . . ?
C67 Cu12 O2 105.9(4) . . ?
Cu3 Cu12 Cu6 66.52(5) . . ?
O1 Cu12 Cu3 114.6(2) . . ?
O1 Cu12 Cu6 160.1(2) . . ?
O2 Cu12 Cu3 152.3(3) . . ?
O2 Cu12 Cu6 132.8(3) . . ?
O2 Cu12 O1 55.4(3) . . ?
C19 Cu13 C20 31.7(3) . . ?
C19 Cu13 C43 96.3(4) . . ?
C19 Cu13 Cu2 111.7(3) . . ?
C19 Cu13 Cu4 49.8(3) . . ?
C20 Cu13 C43 120.1(3) . . ?
C20 Cu13 Cu2 143.2(2) . . ?
C20 Cu13 Cu4 81.0(3) . . ?
C25 Cu13 C19 149.9(5) . . ?
C25 Cu13 C20 122.9(4) . . ?
C25 Cu13 C43 113.8(4) . . ?
C25 Cu13 Cu2 89.2(3) . . ?
C25 Cu13 Cu4 152.5(3) . . ?
C43 Cu13 Cu2 45.8(2) . . ?
C43 Cu13 Cu4 52.5(2) . . ?
Cu4 Cu13 Cu2 64.15(5) . . ?
C25 Cu14 C26 34.0(4) . . ?
C25 Cu14 C32 151.8(5) . . ?
C25 Cu14 Cu2 77.1(3) . . ?
C25 Cu14 Cu7 132.4(3) . . ?
C26 Cu14 C32 128.9(5) . . ?
C26 Cu14 Cu2 102.8(3) . . ?
C26 Cu14 Cu7 150.2(3) . . ?
C31 Cu14 C25 172.1(5) . . ?
C31 Cu14 C26 152.5(5) . . ?
C31 Cu14 C32 28.1(4) . . ?
C31 Cu14 Cu2 100.5(4) . . ?
C31 Cu14 Cu7 45.7(4) . . ?
C32 Cu14 Cu2 127.8(3) . . ?
C32 Cu14 Cu7 73.7(3) . . ?
Cu7 Cu14 Cu2 55.30(4) . . ?
C7 Cu15 C8 31.8(4) . . ?
C7 Cu15 C49 101.2(4) . . ?
C7 Cu15 Cu1 77.2(3) . . ?
C7 Cu15 Cu8 37.9(3) . . ?
C7 Cu15 Cu10 167.3(3) . . ?
C8 Cu15 C49 132.3(4) . . ?
C8 Cu15 Cu1 105.8(3) . . ?
C8 Cu15 Cu8 68.6(4) . . ?
C8 Cu15 Cu10 152.0(4) . . ?
C13 Cu15 C7 144.7(4) . . ?
C13 Cu15 C8 113.0(5) . . ?
C13 Cu15 C49 112.8(4) . . ?
C13 Cu15 Cu1 135.0(3) . . ?
C13 Cu15 Cu8 165.3(4) . . ?
C13 Cu15 Cu10 43.4(3) . . ?
C49 Cu15 Cu1 43.6(2) . . ?
C49 Cu15 Cu8 63.7(2) . . ?
C49 Cu15 Cu10 75.3(2) . . ?
Cu1 Cu15 Cu8 53.44(4) . . ?
Cu1 Cu15 Cu10 92.44(6) . . ?
Cu10 Cu15 Cu8 138.52(7) . . ?
O1 N1 O2 115.5(10) . . ?
O3 N1 O1 125.4(13) . . ?
O3 N1 O2 119.1(12) . . ?
N1 O1 Cu12 90.2(7) . . ?
N1 O2 Cu12 98.9(7) . . ?

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

data_hydronium
_database_code_depnum_ccdc_archive 'CCDC 1907669'
loop_
_audit_author_name
_audit_author_address
'Leon Li-Min Zhang'
;The Chinese University of Hong Kong
China
;
_audit_update_record             
;
2019-04-03 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-04-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '(V10 O28) 6(H3O)'
_chemical_formula_sum            H18V10O34
_chemical_formula_weight         1071.5375
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1593(8)
_cell_length_b                   10.2950(9)
_cell_length_c                   16.7352(13)
_cell_angle_alpha                83.426(2)
_cell_angle_beta                 87.127(2)
_cell_angle_gamma                71.045(2)
_cell_volume                     1644.4(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9862
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.837
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.164
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1172.0
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            52059
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.949
_diffrn_reflns_theta_min         2.120
_diffrn_ambient_temperature      296.46
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7027
_reflns_number_total             7879
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.963
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.303
_refine_ls_extinction_coef       0.0247(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         7879
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0346
_refine_ls_restrained_S_all      1.208
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0560P)²+1.7361P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1049
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O37A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O37A) = Uanis(O37B)
3. Others
 Sof(O37B)=1-FVAR(1)
 Sof(O37A)=FVAR(1)
4.a Riding coordinates:
 O29(H29A,H29B,H29C), O30(H30A,H30B,H30C), O31(H31A,H31B,H31C), O32(H32A,H32B,
 H32C), O33(H33A,H33B,H33C), O34(H34A,H34B,H34C), O35(H35A,H35B,H35C), O36(H36A,
 H36B,H36C), O38(H38A,H38B,H38C), O39(H39A,H39B,H39C), O40(H40A,H40B,H40C),
 O37A(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.7639(3) -0.0024(2) 0.51605(14) 0.0360(5) Uani 1 1 d . . . . .
O2 O 0.5650(2) 0.16826(18) 0.60436(11) 0.0201(4) Uani 1 1 d . . . . .
O3 O 0.63345(19) 0.34072(18) 0.69041(10) 0.0185(4) Uani 1 1 d . . . . .
O4 O 0.3801(2) 0.3090(2) 0.70938(12) 0.0298(5) Uani 1 1 d . . . . .
O5 O 0.1388(2) 0.5501(2) 0.63449(13) 0.0335(5) Uani 1 1 d . . . . .
O6 O 0.2060(2) 0.7650(2) 0.55866(12) 0.0235(4) Uani 1 1 d . . . . .
O7 O 0.13854(18) 0.5911(2) 0.47304(12) 0.0215(4) Uani 1 1 d . . . . .
O8 O 0.17733(19) 0.81883(19) 0.40104(12) 0.0220(4) Uani 1 1 d . . . . .
O9 O 0.1040(2) 0.6441(2) 0.31374(13) 0.0294(5) Uani 1 1 d . . . . .
O10 O 0.32903(19) 0.43468(19) 0.38183(11) 0.0195(4) Uani 1 1 d . . . . .
O11 O 0.58708(18) 0.45503(18) 0.37690(10) 0.0157(3) Uani 1 1 d . . . . .
O12 O 0.5412(2) 0.22132(18) 0.44727(11) 0.0204(4) Uani 1 1 d . . . . .
O13 O 0.35127(18) 0.38554(18) 0.54426(10) 0.0160(3) Uani 1 1 d . . . . .
O14 O 0.39448(17) 0.60530(17) 0.46801(10) 0.0133(3) Uani 1 1 d . . . . .
O15 O 0.5111(2) 0.2748(2) 0.05559(13) 0.0302(5) Uani 1 1 d . . . . .
O16 O 0.67447(19) 0.0706(2) 0.15934(11) 0.0218(4) Uani 1 1 d . . . . .
O17 O 0.8232(2) -0.1210(2) 0.27198(12) 0.0309(5) Uani 1 1 d . . . . .
O18 O 1.0469(2) -0.16982(19) 0.15806(11) 0.0204(4) Uani 1 1 d . . . . .
O19 O 1.01318(18) -0.22354(17) 0.00637(11) 0.0162(3) Uani 1 1 d . . . . .
O20 O 1.26407(19) -0.21830(18) 0.05236(11) 0.0196(4) Uani 1 1 d . . . . .
O21 O 1.35161(18) -0.01790(19) -0.01146(11) 0.0194(4) Uani 1 1 d . . . . .
O22 O 1.19496(19) 0.17830(19) -0.11865(11) 0.0203(4) Uani 1 1 d . . . . .
O23 O 1.2415(2) 0.2451(2) 0.02531(13) 0.0273(4) Uani 1 1 d . . . . .
O24 O 1.0029(2) 0.2960(2) 0.14800(13) 0.0289(5) Uani 1 1 d . . . . .
O25 O 0.76518(19) 0.27545(19) 0.09406(12) 0.0211(4) Uani 1 1 d . . . . .
O26 O 0.9212(2) 0.0785(2) 0.19943(11) 0.0208(4) Uani 1 1 d . . . . .
O27 O 1.13250(18) 0.04188(18) 0.09181(10) 0.0153(3) Uani 1 1 d . . . . .
O28 O 0.89383(17) 0.02334(17) 0.05226(10) 0.0143(3) Uani 1 1 d . . . . .
O29 O 1.0146(3) 0.0945(3) 0.34737(15) 0.0397(6) Uani 1 1 d . . . . .
H29A H 0.927610 0.132159 0.389321 0.060 Uiso 1 1 d R . . . .
H29B H 0.977150 0.096049 0.286661 0.060 Uiso 1 1 d R . . . .
H29C H 1.075970 -0.012571 0.368801 0.060 Uiso 1 1 d R . . . .
O30 O 0.1359(3) 0.5167(2) 0.08379(16) 0.0466(6) Uani 1 1 d . . . . .
H30A H 0.150138 0.420356 0.058163 0.070 Uiso 1 1 d R . . . .
H30B H 0.080278 0.605726 0.042803 0.070 Uiso 1 1 d R . . . .
H30C H 0.081568 0.517516 0.142273 0.070 Uiso 1 1 d R . . . .
O31 O 0.3167(4) 0.2417(4) 0.1940(2) 0.0664(9) Uani 1 1 d . . . . .
H31A H 0.347832 0.162681 0.182149 0.100 Uiso 1 1 d R . . . .
H31B H 0.370042 0.266681 0.211149 0.100 Uiso 1 1 d R . . . .
H31C H 0.206032 0.285281 0.227049 0.100 Uiso 1 1 d R . . . .
O32 O 0.4999(3) 0.0643(3) 0.31600(19) 0.0571(8) Uani 1 1 d . . . . .
H32A H 0.584263 0.045185 0.274782 0.086 Uiso 1 1 d R . . . .
H32B H 0.468283 -0.022115 0.345702 0.086 Uiso 1 1 d R . . . .
H32C H 0.511713 0.129355 0.360932 0.086 Uiso 1 1 d R . . . .
O33 O 0.4060(3) 0.6955(3) 0.74891(17) 0.0591(8) Uani 1 1 d . . . . .
H33A H 0.293688 0.745172 0.757815 0.089 Uiso 1 1 d R . . . .
H33B H 0.347778 0.624612 0.769305 0.089 Uiso 1 1 d R . . . .
H33C H 0.373618 0.639503 0.706025 0.089 Uiso 1 1 d R . . . .
O34 O 0.6302(4) 0.5610(3) 0.09146(18) 0.0648(9) Uani 1 1 d . . . . .
H34A H 0.663430 0.449280 0.088020 0.097 Uiso 1 1 d R . . . .
H34B H 0.638280 0.615280 0.032170 0.097 Uiso 1 1 d R . . . .
H34C H 0.692410 0.585960 0.135440 0.097 Uiso 1 1 d R . . . .
O35 O 0.5076(3) 0.8601(3) 0.12953(17) 0.0550(8) Uani 1 1 d . . . . .
H35A H 0.600601 0.872372 0.154236 0.083 Uiso 1 1 d R . . . .
H35B H 0.464971 0.914592 0.071326 0.083 Uiso 1 1 d R . . . .
H35C H 0.432191 0.886202 0.179406 0.083 Uiso 1 1 d R . . . .
O36 O 0.2786(2) 0.9538(2) 0.23731(13) 0.0359(5) Uani 1 1 d . . . . .
H36A H 0.286702 0.845994 0.257001 0.054 Uiso 1 1 d R . . . .
H36B H 0.210932 0.991614 0.184891 0.054 Uiso 1 1 d R . . . .
H36C H 0.236712 1.017914 0.286761 0.054 Uiso 1 1 d R . . . .
O38 O 0.6286(4) 0.4765(3) 0.83145(18) 0.0585(8) Uani 1 1 d . . . . .
H38A H 0.559642 0.576990 0.805638 0.088 Uiso 1 1 d R . . . .
H38B H 0.548392 0.450340 0.870328 0.088 Uiso 1 1 d R . . . .
H38C H 0.636382 0.415830 0.780328 0.088 Uiso 1 1 d R . . . .
O39 O 0.0895(4) 0.4324(3) 0.79296(18) 0.0575(8) Uani 1 1 d . . . . .
H39A H 0.164416 0.408119 0.742630 0.086 Uiso 1 1 d R . . . .
H39B H 0.146186 0.335189 0.828470 0.086 Uiso 1 1 d R . . . .
H39C H 0.078616 0.535059 0.810790 0.086 Uiso 1 1 d R . . . .
O40 O 0.1494(2) 0.2576(2) 0.55991(15) 0.0370(5) Uani 1 1 d . . . . .
H40A H 0.174291 0.163514 0.528962 0.056 Uiso 1 1 d R . . . .
H40B H 0.047661 0.331544 0.541592 0.056 Uiso 1 1 d R . . . .
H40C H 0.143951 0.226544 0.624802 0.056 Uiso 1 1 d R . . . .
O37A O 0.1428(7) 0.2936(7) 0.3614(7) 0.065(2) Uani 0.699(19) 1 d . U P A 1
H37A H 0.216569 0.265441 0.311124 0.098 Uiso 1 1 d R . . A 1
H37B H 0.063489 0.394091 0.344854 0.098 Uiso 1 1 d R . . A 1
H37C H 0.091779 0.213971 0.375964 0.098 Uiso 1 1 d R . . A 1
O37B O 0.1506(18) 0.3145(18) 0.3217(15) 0.065(2) Uani 0.301(19) 1 d . . P A 2
V1 V 0.48112(4) 0.33908(4) 0.63787(3) 0.01621(11) Uani 1 1 d . . . . .
V2 V 0.70413(5) 0.15959(4) 0.52695(3) 0.02132(12) Uani 1 1 d . . . . .
V3 V 0.46066(4) 0.39248(4) 0.44790(2) 0.01322(10) Uani 1 1 d . . . . .
V4 V 0.21926(4) 0.63895(4) 0.37689(3) 0.01807(11) Uani 1 1 d . . . . .
V5 V 0.23909(4) 0.58128(5) 0.56235(3) 0.01862(11) Uani 1 1 d . . . . .
V6 V 0.84453(5) -0.05612(5) 0.18184(3) 0.01938(11) Uani 1 1 d . . . . .
V7 V 1.09608(4) -0.12016(4) 0.06554(2) 0.01361(10) Uani 1 1 d . . . . .
V8 V 1.19304(4) 0.12916(4) -0.01019(3) 0.01609(11) Uani 1 1 d . . . . .
V9 V 0.94956(4) 0.18589(4) 0.10944(3) 0.01668(11) Uani 1 1 d . . . . .
V10 V 0.66623(4) 0.16787(5) 0.05910(3) 0.01921(11) 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
O1 V2 1.608(2) . ?
O2 V1 1.8269(19) . ?
O2 V2 1.856(2) . ?
O3 V1 1.8235(18) . ?
O3 V4 1.8794(19) 2_666 ?
O4 V1 1.606(2) . ?
O5 V5 1.612(2) . ?
O6 V2 1.888(2) 2_666 ?
O6 V5 1.805(2) . ?
O7 V4 1.8581(19) . ?
O7 V5 1.8272(19) . ?
O8 V2 1.826(2) 2_666 ?
O8 V4 1.8483(19) . ?
O9 V4 1.600(2) . ?
O10 V3 1.6912(18) . ?
O10 V4 2.0295(19) . ?
O11 V1 1.9943(18) 2_666 ?
O11 V3 1.9197(18) . ?
O11 V5 1.9890(18) 2_666 ?
O12 V2 2.0649(19) . ?
O12 V3 1.6857(18) . ?
O13 V1 2.0122(18) . ?
O13 V3 1.9200(18) . ?
O13 V5 2.0160(18) . ?
O14 V1 2.2536(17) 2_666 ?
O14 V2 2.3091(17) 2_666 ?
O14 V3 2.1343(17) . ?
O14 V3 2.0937(17) 2_666 ?
O14 V4 2.3161(17) . ?
O14 V5 2.2272(16) . ?
O15 V10 1.602(2) . ?
O16 V6 1.821(2) . ?
O16 V10 1.844(2) . ?
O17 V6 1.612(2) . ?
O18 V6 2.054(2) . ?
O18 V7 1.6779(18) . ?
O19 V7 1.9313(18) . ?
O19 V8 2.0039(18) 2_755 ?
O19 V9 1.9747(18) 2_755 ?
O20 V7 1.6956(18) . ?
O20 V10 2.0335(19) 2_755 ?
O21 V8 1.8185(18) . ?
O21 V10 1.8790(19) 2_755 ?
O22 V6 1.8805(19) 2_755 ?
O22 V8 1.8286(19) . ?
O23 V8 1.6098(19) . ?
O24 V9 1.611(2) . ?
O25 V9 1.8158(19) . ?
O25 V10 1.8735(19) . ?
O26 V6 1.8529(19) . ?
O26 V9 1.8316(19) . ?
O27 V7 1.9231(17) . ?
O27 V8 2.0005(18) . ?
O27 V9 1.9985(18) . ?
O28 V6 2.3181(17) . ?
O28 V7 2.1101(17) . ?
O28 V7 2.1182(17) 2_755 ?
O28 V8 2.2259(17) 2_755 ?
O28 V9 2.2523(17) . ?
O28 V10 2.3132(17) . ?
V1 V2 3.1045(6) . ?
V1 V5 3.0769(6) . ?
V2 V3 3.0603(6) . ?
V2 V4 3.0718(6) 2_666 ?
V2 V5 3.1118(7) 2_666 ?
V3 V4 3.0699(6) . ?
V4 V5 3.0967(7) . ?
V6 V7 3.0748(6) . ?
V6 V9 3.1177(6) . ?
V6 V10 3.0648(6) . ?
V7 V10 3.0631(6) 2_755 ?
V8 V9 3.0496(6) . ?
V8 V10 3.1114(6) 2_755 ?
V9 V10 3.1073(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
V1 O2 V2 114.89(9) . . ?
V1 O3 V4 114.84(9) . 2_666 ?
V5 O6 V2 114.86(10) . 2_666 ?
V5 O7 V4 114.33(10) . . ?
V2 O8 V4 113.47(10) 2_666 . ?
V3 O10 V4 110.87(9) . . ?
V3 O11 V1 108.70(8) . 2_666 ?
V3 O11 V5 107.04(8) . 2_666 ?
V5 O11 V1 101.15(8) 2_666 2_666 ?
V3 O12 V2 108.94(9) . . ?
V1 O13 V5 99.61(8) . . ?
V3 O13 V1 107.39(8) . . ?
V3 O13 V5 107.60(8) . . ?
V1 O14 V2 85.74(6) 2_666 2_666 ?
V1 O14 V4 86.12(6) 2_666 . ?
V2 O14 V4 83.23(6) 2_666 . ?
V3 O14 V1 93.54(6) 2_666 2_666 ?
V3 O14 V1 92.88(6) . 2_666 ?
V3 O14 V2 170.33(9) . 2_666 ?
V3 O14 V2 87.92(6) 2_666 2_666 ?
V3 O14 V3 101.72(7) 2_666 . ?
V3 O14 V4 171.15(9) 2_666 . ?
V3 O14 V4 87.13(6) . . ?
V3 O14 V5 93.29(6) 2_666 . ?
V3 O14 V5 93.47(6) . . ?
V5 O14 V1 169.55(9) . 2_666 ?
V5 O14 V2 86.60(6) . 2_666 ?
V5 O14 V4 85.91(6) . . ?
V6 O16 V10 113.49(10) . . ?
V7 O18 V6 110.57(9) . . ?
V7 O19 V8 106.65(8) . 2_755 ?
V7 O19 V9 108.44(8) . 2_755 ?
V9 O19 V8 100.08(8) 2_755 2_755 ?
V7 O20 V10 110.12(9) . 2_755 ?
V8 O21 V10 114.58(9) . 2_755 ?
V8 O22 V6 114.70(9) . 2_755 ?
V9 O25 V10 114.75(10) . . ?
V9 O26 V6 115.60(10) . . ?
V7 O27 V8 106.90(8) . . ?
V7 O27 V9 107.91(8) . . ?
V9 O27 V8 99.38(8) . . ?
V7 O28 V6 87.82(6) . . ?
V7 O28 V6 170.20(9) 2_755 . ?
V7 O28 V7 101.97(7) . 2_755 ?
V7 O28 V8 93.01(6) 2_755 2_755 ?
V7 O28 V8 93.39(6) . 2_755 ?
V7 O28 V9 92.89(6) 2_755 . ?
V7 O28 V9 93.20(6) . . ?
V7 O28 V10 170.68(9) . . ?
V7 O28 V10 87.34(6) 2_755 . ?
V8 O28 V6 86.81(6) 2_755 . ?
V8 O28 V9 170.05(9) 2_755 . ?
V8 O28 V10 86.52(6) 2_755 . ?
V9 O28 V6 86.01(6) . . ?
V9 O28 V10 85.77(6) . . ?
V10 O28 V6 82.87(6) . . ?
O2 V1 O11 153.98(8) . 2_666 ?
O2 V1 O13 89.15(8) . . ?
O2 V1 O14 80.08(7) . 2_666 ?
O2 V1 V2 32.85(6) . . ?
O2 V1 V5 129.39(6) . . ?
O3 V1 O2 94.61(8) . . ?
O3 V1 O11 90.45(8) . 2_666 ?
O3 V1 O13 154.51(8) . . ?
O3 V1 O14 80.55(7) . 2_666 ?
O3 V1 V2 82.97(6) . . ?
O3 V1 V5 129.81(6) . . ?
O4 V1 O2 102.62(10) . . ?
O4 V1 O3 103.49(10) . . ?
O4 V1 O11 100.95(10) . 2_666 ?
O4 V1 O13 100.23(9) . . ?
O4 V1 O14 174.83(9) . 2_666 ?
O4 V1 V2 135.26(8) . . ?
O4 V1 V5 90.49(8) . . ?
O11 V1 O13 75.92(7) 2_666 . ?
O11 V1 O14 75.61(7) 2_666 2_666 ?
O11 V1 V2 123.46(5) 2_666 . ?
O11 V1 V5 39.36(5) 2_666 . ?
O13 V1 O14 75.29(7) . 2_666 ?
O13 V1 V2 86.75(5) . . ?
O13 V1 V5 40.24(5) . . ?
O14 V1 V2 47.88(4) 2_666 . ?
O14 V1 V5 84.41(4) 2_666 . ?
V5 V1 V2 119.464(18) . . ?
O1 V2 O2 102.71(11) . . ?
O1 V2 O6 101.70(11) . 2_666 ?
O1 V2 O8 103.33(11) . 2_666 ?
O1 V2 O12 100.13(10) . . ?
O1 V2 O14 174.55(10) . 2_666 ?
O1 V2 V1 134.85(10) . . ?
O1 V2 V3 131.53(9) . . ?
O1 V2 V4 136.83(9) . 2_666 ?
O1 V2 V5 133.36(10) . 2_666 ?
O2 V2 O6 153.88(8) . 2_666 ?
O2 V2 O12 84.06(8) . . ?
O2 V2 O14 78.02(7) . 2_666 ?
O2 V2 V1 32.26(6) . . ?
O2 V2 V3 78.84(6) . . ?
O2 V2 V4 84.96(6) . 2_666 ?
O2 V2 V5 123.62(6) . 2_666 ?
O6 V2 O12 82.64(8) 2_666 . ?
O6 V2 O14 76.80(7) 2_666 2_666 ?
O6 V2 V1 123.18(6) 2_666 . ?
O6 V2 V3 78.09(6) 2_666 . ?
O6 V2 V4 83.59(6) 2_666 2_666 ?
O6 V2 V5 31.75(6) 2_666 2_666 ?
O8 V2 O2 92.54(9) 2_666 . ?
O8 V2 O6 90.76(9) 2_666 2_666 ?
O8 V2 O12 156.47(8) 2_666 . ?
O8 V2 O14 81.98(7) 2_666 2_666 ?
O8 V2 V1 82.34(6) 2_666 . ?
O8 V2 V3 125.11(6) 2_666 . ?
O8 V2 V4 33.50(6) 2_666 2_666 ?
O8 V2 V5 81.43(6) 2_666 2_666 ?
O12 V2 O14 74.53(7) . 2_666 ?
O12 V2 V1 82.49(5) . . ?
O12 V2 V3 31.40(5) . . ?
O12 V2 V4 123.00(5) . 2_666 ?
O12 V2 V5 81.16(5) . 2_666 ?
O14 V2 V1 46.38(4) 2_666 . ?
O14 V2 V3 43.14(4) 2_666 . ?
O14 V2 V4 48.48(4) 2_666 2_666 ?
O14 V2 V5 45.60(4) 2_666 2_666 ?
V1 V2 V5 91.747(16) . 2_666 ?
V3 V2 V1 61.871(14) . . ?
V3 V2 V4 91.616(17) . 2_666 ?
V3 V2 V5 61.221(14) . 2_666 ?
V4 V2 V1 60.691(15) 2_666 . ?
V4 V2 V5 60.099(15) 2_666 2_666 ?
O10 V3 O11 96.27(8) . . ?
O10 V3 O13 97.27(9) . . ?
O10 V3 O14 87.04(8) . . ?
O10 V3 O14 165.30(8) . 2_666 ?
O10 V3 V2 145.74(6) . . ?
O10 V3 V4 38.15(6) . . ?
O11 V3 O13 155.47(8) . . ?
O11 V3 O14 80.64(7) . 2_666 ?
O11 V3 O14 80.03(7) . . ?
O11 V3 V2 90.59(5) . . ?
O11 V3 V4 89.24(5) . . ?
O12 V3 O10 106.09(9) . . ?
O12 V3 O11 97.91(9) . . ?
O12 V3 O13 97.85(9) . . ?
O12 V3 O14 88.59(8) . 2_666 ?
O12 V3 O14 166.87(8) . . ?
O12 V3 V2 39.66(6) . . ?
O12 V3 V4 144.23(7) . . ?
O13 V3 O14 81.08(7) . 2_666 ?
O13 V3 O14 80.35(7) . . ?
O13 V3 V2 89.64(5) . . ?
O13 V3 V4 88.88(5) . . ?
O14 V3 O14 78.28(7) 2_666 . ?
O14 V3 V2 48.94(5) 2_666 . ?
O14 V3 V2 127.22(5) . . ?
O14 V3 V4 127.17(5) 2_666 . ?
O14 V3 V4 48.90(5) . . ?
V2 V3 V4 176.056(18) . . ?
O3 V4 O10 83.90(8) 2_666 . ?
O3 V4 O14 77.78(7) 2_666 . ?
O3 V4 V2 83.08(6) 2_666 2_666 ?
O3 V4 V3 79.62(6) 2_666 . ?
O3 V4 V5 123.61(6) 2_666 . ?
O7 V4 O3 155.14(8) . 2_666 ?
O7 V4 O10 84.98(8) . . ?
O7 V4 O14 77.89(7) . . ?
O7 V4 V2 84.56(6) . 2_666 ?
O7 V4 V3 79.41(6) . . ?
O7 V4 V5 32.52(6) . . ?
O8 V4 O3 90.14(8) . 2_666 ?
O8 V4 O7 91.16(9) . . ?
O8 V4 O10 156.25(8) . . ?
O8 V4 O14 81.32(7) . . ?
O8 V4 V2 33.03(6) . 2_666 ?
O8 V4 V3 125.29(6) . . ?
O8 V4 V5 81.55(6) . . ?
O9 V4 O3 102.47(10) . 2_666 ?
O9 V4 O7 101.16(10) . . ?
O9 V4 O8 104.97(10) . . ?
O9 V4 O10 98.77(10) . . ?
O9 V4 O14 173.69(9) . . ?
O9 V4 V2 138.00(8) . 2_666 ?
O9 V4 V3 129.74(8) . . ?
O9 V4 V5 133.65(8) . . ?
O10 V4 O14 74.95(7) . . ?
O10 V4 V2 123.22(5) . 2_666 ?
O10 V4 V3 30.98(5) . . ?
O10 V4 V5 82.70(5) . . ?
O14 V4 V2 48.29(4) . 2_666 ?
O14 V4 V3 43.98(4) . . ?
O14 V4 V5 45.84(4) . . ?
V2 V4 V5 60.590(15) 2_666 . ?
V3 V4 V2 92.260(16) . 2_666 ?
V3 V4 V5 62.014(14) . . ?
O5 V5 O6 103.58(11) . . ?
O5 V5 O7 102.54(10) . . ?
O5 V5 O11 99.82(10) . 2_666 ?
O5 V5 O13 99.12(10) . . ?
O5 V5 O14 174.18(9) . . ?
O5 V5 V1 89.05(8) . . ?
O5 V5 V2 136.78(9) . 2_666 ?
O5 V5 V4 135.58(9) . . ?
O6 V5 O7 95.34(9) . . ?
O6 V5 O11 90.60(8) . 2_666 ?
O6 V5 O13 155.30(8) . . ?
O6 V5 O14 80.61(8) . . ?
O6 V5 V1 130.08(7) . . ?
O6 V5 V2 33.39(6) . 2_666 ?
O6 V5 V4 84.14(6) . . ?
O7 V5 O11 154.77(8) . 2_666 ?
O7 V5 O13 89.04(8) . . ?
O7 V5 O14 80.89(7) . . ?
O7 V5 V1 129.19(6) . . ?
O7 V5 V2 83.86(6) . 2_666 ?
O7 V5 V4 33.14(6) . . ?
O11 V5 O13 75.95(7) 2_666 . ?
O11 V5 O14 75.92(7) 2_666 . ?
O11 V5 V1 39.49(5) 2_666 . ?
O11 V5 V2 87.83(5) 2_666 2_666 ?
O11 V5 V4 124.08(5) 2_666 . ?
O13 V5 O14 76.10(7) . . ?
O13 V5 V1 40.15(5) . . ?
O13 V5 V2 123.89(5) . 2_666 ?
O13 V5 V4 86.45(5) . . ?
O14 V5 V1 85.14(5) . . ?
O14 V5 V2 47.80(4) . 2_666 ?
O14 V5 V4 48.25(4) . . ?
V1 V5 V2 120.044(18) . 2_666 ?
V1 V5 V4 119.448(17) . . ?
V4 V5 V2 59.309(14) . 2_666 ?
O16 V6 O18 155.92(8) . . ?
O16 V6 O22 90.29(9) . 2_755 ?
O16 V6 O26 92.60(9) . . ?
O16 V6 O28 81.96(7) . . ?
O16 V6 V7 125.25(6) . . ?
O16 V6 V9 82.79(6) . . ?
O16 V6 V10 33.49(6) . . ?
O17 V6 O16 102.88(10) . . ?
O17 V6 O18 101.13(10) . . ?
O17 V6 O22 102.34(10) . 2_755 ?
O17 V6 O26 102.46(10) . . ?
O17 V6 O28 175.14(10) . . ?
O17 V6 V7 131.86(8) . . ?
O17 V6 V9 134.34(8) . . ?
O17 V6 V10 136.35(8) . . ?
O18 V6 O28 74.02(7) . . ?
O18 V6 V7 30.72(5) . . ?
O18 V6 V9 81.73(5) . . ?
O18 V6 V10 122.52(5) . . ?
O22 V6 O18 82.88(8) 2_755 . ?
O22 V6 O28 76.98(7) 2_755 . ?
O22 V6 V7 78.35(6) 2_755 . ?
O22 V6 V9 123.09(6) 2_755 . ?
O22 V6 V10 84.11(6) 2_755 . ?
O26 V6 O18 83.90(8) . . ?
O26 V6 O22 153.71(8) . 2_755 ?
O26 V6 O28 77.57(7) . . ?
O26 V6 V7 78.68(6) . . ?
O26 V6 V9 31.99(6) . . ?
O26 V6 V10 84.00(6) . . ?
O28 V6 V7 43.30(4) . . ?
O28 V6 V9 46.11(4) . . ?
O28 V6 V10 48.50(4) . . ?
V7 V6 V9 61.603(14) . . ?
V10 V6 V7 91.794(17) . . ?
V10 V6 V9 60.336(15) . . ?
O18 V7 O19 97.58(9) . . ?
O18 V7 O20 106.86(9) . . ?
O18 V7 O27 97.14(9) . . ?
O18 V7 O28 87.58(8) . . ?
O18 V7 O28 165.61(8) . 2_755 ?
O18 V7 V6 38.70(6) . . ?
O18 V7 V10 145.42(7) . 2_755 ?
O19 V7 O28 80.74(7) . . ?
O19 V7 O28 80.12(7) . 2_755 ?
O19 V7 V6 90.39(5) . . ?
O19 V7 V10 88.72(5) . 2_755 ?
O20 V7 O19 96.86(8) . . ?
O20 V7 O27 97.17(8) . . ?
O20 V7 O28 165.56(8) . . ?
O20 V7 O28 87.53(8) . 2_755 ?
O20 V7 V6 145.56(7) . . ?
O20 V7 V10 38.56(6) . 2_755 ?
O27 V7 O19 155.75(8) . . ?
O27 V7 O28 80.84(7) . 2_755 ?
O27 V7 O28 80.74(7) . . ?
O27 V7 V6 89.14(5) . . ?
O27 V7 V10 90.02(5) . 2_755 ?
O28 V7 O28 78.03(7) . 2_755 ?
O28 V7 V6 126.91(5) 2_755 . ?
O28 V7 V6 48.88(5) . . ?
O28 V7 V10 127.00(5) . 2_755 ?
O28 V7 V10 48.97(5) 2_755 2_755 ?
V10 V7 V6 175.879(18) 2_755 . ?
O19 V8 O28 76.39(7) 2_755 2_755 ?
O19 V8 V9 39.61(5) 2_755 . ?
O19 V8 V10 124.25(5) 2_755 2_755 ?
O21 V8 O19 155.45(8) . 2_755 ?
O21 V8 O22 94.73(9) . . ?
O21 V8 O27 89.84(8) . . ?
O21 V8 O28 80.72(7) . 2_755 ?
O21 V8 V9 130.12(6) . . ?
O21 V8 V10 33.31(6) . 2_755 ?
O22 V8 O19 90.17(8) . 2_755 ?
O22 V8 O27 155.49(8) . . ?
O22 V8 O28 80.43(7) . 2_755 ?
O22 V8 V9 129.77(6) . . ?
O22 V8 V10 83.55(6) . 2_755 ?
O23 V8 O19 98.49(9) . 2_755 ?
O23 V8 O21 103.88(10) . . ?
O23 V8 O22 102.44(10) . . ?
O23 V8 O27 99.78(9) . . ?
O23 V8 O28 174.22(9) . 2_755 ?
O23 V8 V9 88.92(8) . . ?
O23 V8 V10 137.00(8) . 2_755 ?
O27 V8 O19 76.38(7) . 2_755 ?
O27 V8 O28 76.57(7) . 2_755 ?
O27 V8 V9 40.28(5) . . ?
O27 V8 V10 87.25(5) . 2_755 ?
O28 V8 V9 85.42(5) 2_755 . ?
O28 V8 V10 47.91(4) 2_755 2_755 ?
V9 V8 V10 119.995(17) . 2_755 ?
O19 V9 O27 77.09(7) 2_755 . ?
O19 V9 O28 75.94(7) 2_755 . ?
O19 V9 V6 123.81(5) 2_755 . ?
O19 V9 V8 40.31(5) 2_755 . ?
O19 V9 V10 86.70(5) 2_755 . ?
O24 V9 O19 102.01(10) . 2_755 ?
O24 V9 O25 103.76(10) . . ?
O24 V9 O26 101.57(10) . . ?
O24 V9 O27 99.59(9) . . ?
O24 V9 O28 175.14(9) . . ?
O24 V9 V6 133.84(8) . . ?
O24 V9 V8 90.97(8) . . ?
O24 V9 V10 136.72(8) . . ?
O25 V9 O19 90.23(8) . 2_755 ?
O25 V9 O26 93.92(9) . . ?
O25 V9 O27 155.32(8) . . ?
O25 V9 O28 80.74(7) . . ?
O25 V9 V6 83.03(6) . . ?
O25 V9 V8 130.53(6) . . ?
O25 V9 V10 33.20(6) . . ?
O26 V9 O19 154.32(8) . 2_755 ?
O26 V9 O27 89.11(8) . . ?
O26 V9 O28 79.74(7) . . ?
O26 V9 V6 32.41(6) . . ?
O26 V9 V8 129.42(6) . . ?
O26 V9 V10 83.08(6) . . ?
O27 V9 O28 75.71(7) . . ?
O27 V9 V6 86.59(5) . . ?
O27 V9 V8 40.33(5) . . ?
O27 V9 V10 123.62(5) . . ?
O28 V9 V6 47.88(4) . . ?
O28 V9 V8 84.65(5) . . ?
O28 V9 V10 47.94(4) . . ?
V8 V9 V6 119.363(17) . . ?
V8 V9 V10 119.354(18) . . ?
V10 V9 V6 58.988(14) . . ?
O15 V10 O16 103.82(10) . . ?
O15 V10 O20 99.55(10) . 2_755 ?
O15 V10 O21 102.84(10) . 2_755 ?
O15 V10 O25 101.32(10) . . ?
O15 V10 O28 174.54(9) . . ?
O15 V10 V6 136.80(8) . . ?
O15 V10 V7 130.86(8) . 2_755 ?
O15 V10 V8 134.89(8) . 2_755 ?
O15 V10 V9 133.34(8) . . ?
O16 V10 O20 156.60(8) . 2_755 ?
O16 V10 O21 90.21(9) . 2_755 ?
O16 V10 O25 91.80(9) . . ?
O16 V10 O28 81.63(7) . . ?
O16 V10 V6 33.02(6) . . ?
O16 V10 V7 125.32(6) . 2_755 ?
O16 V10 V8 81.12(6) . 2_755 ?
O16 V10 V9 82.77(6) . . ?
O20 V10 O28 75.01(7) 2_755 . ?
O20 V10 V6 123.64(5) 2_755 . ?
O20 V10 V7 31.32(5) 2_755 2_755 ?
O20 V10 V8 81.54(5) 2_755 2_755 ?
O20 V10 V9 82.15(5) 2_755 . ?
O21 V10 O20 83.35(8) 2_755 2_755 ?
O21 V10 O28 77.21(7) 2_755 . ?
O21 V10 V6 84.24(6) 2_755 . ?
O21 V10 V7 78.60(6) 2_755 2_755 ?
O21 V10 V8 32.11(5) 2_755 2_755 ?
O21 V10 V9 123.50(6) 2_755 . ?
O25 V10 O20 84.80(8) . 2_755 ?
O25 V10 O21 154.52(8) . 2_755 ?
O25 V10 O28 77.97(7) . . ?
O25 V10 V6 83.70(6) . . ?
O25 V10 V7 79.56(6) . 2_755 ?
O25 V10 V8 123.54(6) . 2_755 ?
O25 V10 V9 32.05(6) . . ?
O28 V10 V6 48.64(4) . . ?
O28 V10 V7 43.69(4) . 2_755 ?
O28 V10 V8 45.57(4) . 2_755 ?
O28 V10 V9 46.29(4) . . ?
V6 V10 V8 60.747(15) . 2_755 ?
V6 V10 V9 60.676(14) . . ?
V7 V10 V6 92.327(17) 2_755 . ?
V7 V10 V8 61.396(13) 2_755 2_755 ?
V7 V10 V9 61.796(14) 2_755 . ?
V9 V10 V8 91.686(16) . 2_755 ?

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 1907666'
loop_
_audit_author_name
_audit_author_address
'Leon Li-Min Zhang'
;The Chinese University of Hong Kong
China
;
_audit_update_record             
;
2019-04-03 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C134 H204 S2 Cu28 O10'
_chemical_formula_sum            'C134 H204 S2 Cu28 O10'
_chemical_formula_weight         3818.4656
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
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                   18.680(2)
_cell_length_b                   14.6314(17)
_cell_length_c                   31.316(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.937(3)
_cell_angle_gamma                90
_cell_volume                     8269.9(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9513
_cell_measurement_temperature    173
_cell_measurement_theta_max      23.242
_cell_measurement_theta_min      2.257
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.580
_exptl_absorpt_correction_T_max  0.867
_exptl_absorpt_correction_T_min  0.773
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3648.0
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1144
_diffrn_reflns_av_unetI/netI     0.1047
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            182816
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.253
_diffrn_reflns_theta_min         2.257
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10426
_reflns_number_total             20159
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.909
_refine_diff_density_min         -0.714
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     857
_refine_ls_number_reflns         20159
_refine_ls_number_restraints     112
_refine_ls_R_factor_all          0.1670
_refine_ls_R_factor_gt           0.0761
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1048P)²+5.7907P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1828
_refine_ls_wR_factor_ref         0.2144
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C39, C40B, C39, C41B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O5, C67
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C10A) \\sim Ueq, Uanis(C11A) \\sim Ueq, Uanis(C12A) \\sim Ueq,
Uanis(C22A) \\sim Ueq, Uanis(C23A) \\sim Ueq, Uanis(C24A) \\sim Ueq,
Uanis(C40A) \\sim Ueq, Uanis(C41A) \\sim Ueq, Uanis(C42A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C34A) \\sim Ueq, Uanis(C35A) \\sim Ueq, Uanis(C36A) \\sim Ueq,
Uanis(C58A) \\sim Ueq, Uanis(C59A) \\sim Ueq, Uanis(C60A) \\sim Ueq,
Uanis(C65A) \\sim Ueq, Uanis(C66A) \\sim Ueq, Uanis(C67) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C60A) = Uanis(C60B)
Uanis(C59A) = Uanis(C59B)
Uanis(C58A) = Uanis(C58B)
Uanis(C36A) = Uanis(C36B)
Uanis(C35A) = Uanis(C35B)
Uanis(C34A) = Uanis(C34B)
Uanis(C66A) = Uanis(C66B)
Uanis(C65A) = Uanis(C65B)
Uanis(C10A) = Uanis(C10B)
Uanis(C11A) = Uanis(C11B)
Uanis(C12A) = Uanis(C12B)
Uanis(C40A) = Uanis(C40B)
Uanis(C41A) = Uanis(C41B)
Uanis(C42A) = Uanis(C42B)
Uanis(C22A) = Uanis(C22B)
Uanis(C23A) = Uanis(C23B)
Uanis(C24A) = Uanis(C24B)
4. Others
 Sof(C10B)=Sof(C12B)=Sof(C11B)=1-FVAR(1)
 Sof(C10A)=Sof(C11A)=Sof(C12A)=FVAR(1)
 Sof(C40B)=Sof(C42B)=Sof(C41B)=1-FVAR(2)
 Sof(C40A)=Sof(C42A)=Sof(C41A)=FVAR(2)
 Sof(C22B)=Sof(C23B)=Sof(C24B)=1-FVAR(3)
 Sof(C22A)=Sof(C23A)=Sof(C24A)=FVAR(3)
 Sof(C36B)=Sof(C35B)=Sof(C34B)=1-FVAR(4)
 Sof(C35A)=Sof(C34A)=Sof(C36A)=FVAR(4)
 Sof(C65B)=Sof(C66B)=1-FVAR(5)
 Sof(C65A)=Sof(C66A)=FVAR(5)
 Sof(C58B)=Sof(C59B)=Sof(C60B)=1-FVAR(6)
 Sof(C58A)=Sof(C59A)=Sof(C60A)=FVAR(6)
5.a Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,
 H48B,H48C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C),
 C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C58A C 0.4120(16) 0.046(2) 0.1358(10) 0.104(8) Uani 0.56(3) 1 d . U P A 1
C59A C 0.291(2) -0.044(2) 0.1141(12) 0.126(8) Uani 0.56(3) 1 d . U P A 1
C60A C 0.357(2) 0.013(2) 0.0516(13) 0.127(10) Uani 0.56(3) 1 d . U P A 1
C58B C 0.430(2) 0.068(3) 0.1153(13) 0.104(8) Uani 0.44(3) 1 d . . P A 2
C59B C 0.319(3) -0.029(3) 0.1372(16) 0.126(8) Uani 0.44(3) 1 d . . P A 2
C60B C 0.325(3) -0.018(3) 0.0583(18) 0.127(10) Uani 0.44(3) 1 d . . P A 2
C65A C 0.4464(12) 0.7328(16) 0.0717(7) 0.087(6) Uani 0.64(2) 1 d . U P B 1
C66A C 0.4787(14) 0.7537(15) 0.1591(9) 0.101(6) Uani 0.64(2) 1 d . U P B 1
C65B C 0.454(2) 0.690(3) 0.0562(13) 0.087(6) Uani 0.36(2) 1 d . . P B 2
C66B C 0.449(2) 0.770(3) 0.1337(16) 0.101(6) Uani 0.36(2) 1 d . . P B 2
C35A C 0.188(4) 0.730(3) 0.1651(16) 0.101(6) Uani 0.262(19) 1 d . U P C 1
C34A C 0.049(3) 0.660(4) 0.1647(19) 0.108(6) Uani 0.262(19) 1 d . U P C 1
C36A C 0.166(4) 0.595(4) 0.220(2) 0.095(6) Uani 0.262(19) 1 d . U P C 1
C22A C 0.0857(15) 0.3742(16) 0.3268(7) 0.120(7) Uani 0.725(15) 1 d . U P D 1
C23A C 0.1591(14) 0.2295(14) 0.3233(6) 0.134(7) Uani 0.725(15) 1 d . U P D 1
C24A C 0.2292(11) 0.3718(16) 0.3406(5) 0.116(6) Uani 0.725(15) 1 d . U P D 1
C22B C 0.091(5) 0.324(5) 0.326(2) 0.120(7) Uani 0.275(15) 1 d . . P D 2
C23B C 0.181(4) 0.442(4) 0.3354(16) 0.134(7) Uani 0.275(15) 1 d . . P D 2
C24B C 0.219(3) 0.286(4) 0.3372(12) 0.116(6) Uani 0.275(15) 1 d . . P D 2
C36B C 0.1969(11) 0.6222(14) 0.2198(6) 0.095(6) Uani 0.738(19) 1 d . . P C 2
C35B C 0.1285(13) 0.7331(10) 0.1595(5) 0.101(6) Uani 0.738(19) 1 d . . P C 2
C34B C 0.0540(11) 0.6135(14) 0.1893(7) 0.108(6) Uani 0.738(19) 1 d . . P C 2
C40A C 0.5901(10) 0.3743(16) 0.0956(9) 0.116(6) Uani 0.619(11) 1 d . U P E 1
C42A C 0.5834(12) 0.2225(16) 0.1300(9) 0.122(6) Uani 0.619(11) 1 d . U P E 1
C41A C 0.6067(13) 0.3576(19) 0.1801(9) 0.138(7) Uani 0.619(11) 1 d . U P E 1
C40B C 0.6060(17) 0.411(3) 0.1376(14) 0.116(6) Uani 0.381(11) 1 d . U P E 2
C42B C 0.5719(19) 0.282(3) 0.0836(14) 0.122(6) Uani 0.381(11) 1 d . . P E 2
C41B C 0.597(2) 0.260(3) 0.1678(15) 0.138(7) Uani 0.381(11) 1 d . U P E 2
C10A C -0.1797(13) 0.372(2) 0.1390(9) 0.114(6) Uani 0.527(11) 1 d . U P F 1
C11A C -0.0850(18) 0.308(2) 0.2016(11) 0.139(8) Uani 0.527(11) 1 d . U P F 1
C12A C -0.0839(15) 0.476(2) 0.2017(8) 0.115(7) Uani 0.527(11) 1 d . U P F 1
C10B C -0.1654(14) 0.459(2) 0.1421(10) 0.114(6) Uani 0.473(11) 1 d . . P F 2
C12B C -0.0696(16) 0.397(2) 0.2176(9) 0.115(7) Uani 0.473(11) 1 d . . P F 2
C11B C -0.147(2) 0.295(3) 0.1650(12) 0.139(8) Uani 0.473(11) 1 d . . P F 2
C1 C 0.1090(4) 0.5467(5) 0.0160(2) 0.0401(17) Uani 1 1 d . . . . .
C2 C -0.1335(4) 0.3814(5) -0.0052(2) 0.0446(18) Uani 1 1 d . . . . .
C3 C -0.1794(5) 0.2982(5) -0.0062(3) 0.059(2) Uani 1 1 d . . . . .
C4 C -0.2060(8) 0.2672(8) -0.0543(4) 0.138(6) Uani 1 1 d . . . . .
H4A H -0.232183 0.316286 -0.071993 0.207 Uiso 1 1 calc GR . . . .
H4B H -0.238316 0.215561 -0.056238 0.207 Uiso 1 1 calc GR . . . .
H4C H -0.164011 0.250319 -0.065020 0.207 Uiso 1 1 calc GR . . . .
C5 C -0.2492(7) 0.3272(9) 0.0073(5) 0.119(4) Uani 1 1 d . . . . .
H5A H -0.235986 0.345860 0.037687 0.178 Uiso 1 1 calc GR . . . .
H5B H -0.283063 0.276707 0.003506 0.178 Uiso 1 1 calc GR . . . .
H5C H -0.272360 0.377314 -0.010923 0.178 Uiso 1 1 calc GR . . . .
C6 C -0.1353(7) 0.2241(7) 0.0232(4) 0.123(5) Uani 1 1 d . . . . .
H6A H -0.087078 0.219326 0.017897 0.185 Uiso 1 1 calc GR . . . .
H6B H -0.160699 0.166755 0.016691 0.185 Uiso 1 1 calc GR . . . .
H6C H -0.130289 0.239574 0.053636 0.185 Uiso 1 1 calc GR . . . .
C7 C -0.0193(4) 0.3816(5) 0.1110(2) 0.0462(18) Uani 1 1 d . . . . .
C8 C -0.0506(4) 0.3858(6) 0.1414(2) 0.053(2) Uani 1 1 d . . . . .
C9 C -0.1059(5) 0.3908(8) 0.1680(3) 0.075(3) Uani 1 1 d . . . . .
C13 C 0.1335(4) 0.2632(5) 0.1338(2) 0.0410(17) Uani 1 1 d . . . . .
C14 C 0.1086(4) 0.1897(5) 0.1413(2) 0.0474(18) Uani 1 1 d . . . . .
C15 C 0.0708(5) 0.1079(5) 0.1514(3) 0.059(2) Uani 1 1 d . . . . .
C16 C -0.0088(5) 0.1104(7) 0.1217(4) 0.087(3) Uani 1 1 d . . . . .
H16A H -0.032994 0.165165 0.127575 0.130 Uiso 1 1 calc GR . . . .
H16B H -0.035599 0.058075 0.127727 0.130 Uiso 1 1 calc GR . . . .
H16C H -0.007630 0.109675 0.091224 0.130 Uiso 1 1 calc GR . . . .
C17 C 0.0712(7) 0.1141(8) 0.2014(4) 0.110(4) Uani 1 1 d . . . . .
H17A H 0.121338 0.118922 0.219129 0.164 Uiso 1 1 calc GR . . . .
H17B H 0.048753 0.060198 0.209732 0.164 Uiso 1 1 calc GR . . . .
H17C H 0.043735 0.166986 0.206084 0.164 Uiso 1 1 calc GR . . . .
C18 C 0.1086(6) 0.0230(6) 0.1431(4) 0.089(3) Uani 1 1 d . . . . .
H18A H 0.110877 0.021627 0.112855 0.134 Uiso 1 1 calc GR . . . .
H18B H 0.081449 -0.029143 0.149020 0.134 Uiso 1 1 calc GR . . . .
H18C H 0.157927 0.021561 0.162168 0.134 Uiso 1 1 calc GR . . . .
C19 C 0.1197(5) 0.3650(6) 0.2268(2) 0.054(2) Uani 1 1 d . . . . .
C20 C 0.1468(5) 0.3504(6) 0.2655(3) 0.061(2) Uani 1 1 d . . . . .
C21 C 0.1562(6) 0.3395(9) 0.3148(3) 0.088(3) Uani 1 1 d . . . . .
C25 C 0.2893(4) 0.4007(5) 0.1960(2) 0.0447(17) Uani 1 1 d . . . . .
C26 C 0.3442(4) 0.4450(6) 0.2155(2) 0.053(2) Uani 1 1 d . . . . .
C27 C 0.4059(5) 0.4835(7) 0.2502(3) 0.074(3) Uani 1 1 d . . . . .
C28 C 0.3918(7) 0.4589(10) 0.2938(3) 0.128(5) Uani 1 1 d . . . . .
H28A H 0.340213 0.467185 0.292282 0.192 Uiso 1 1 calc GR . . . .
H28B H 0.420939 0.497607 0.316497 0.192 Uiso 1 1 calc GR . . . .
H28C H 0.405241 0.396245 0.300618 0.192 Uiso 1 1 calc GR . . . .
C29 C 0.4154(8) 0.5869(8) 0.2465(4) 0.124(5) Uani 1 1 d . . . . .
H29A H 0.429255 0.600510 0.219716 0.187 Uiso 1 1 calc GR . . . .
H29B H 0.453332 0.608113 0.271385 0.187 Uiso 1 1 calc GR . . . .
H29C H 0.369513 0.616981 0.246044 0.187 Uiso 1 1 calc GR . . . .
C30 C 0.4768(6) 0.4385(10) 0.2462(4) 0.128(5) Uani 1 1 d . . . . .
H30A H 0.472932 0.373514 0.249130 0.192 Uiso 1 1 calc GR . . . .
H30B H 0.517632 0.460974 0.269138 0.192 Uiso 1 1 calc GR . . . .
H30C H 0.484960 0.452549 0.217898 0.192 Uiso 1 1 calc GR . . . .
C31 C 0.1733(4) 0.5143(5) 0.1241(2) 0.0370(16) Uani 1 1 d . . . . .
C32 C 0.1436(4) 0.5709(5) 0.1431(2) 0.0496(19) Uani 1 1 d . . . . .
C33 C 0.1320(6) 0.6368(6) 0.1776(3) 0.071(3) Uani 1 1 d . . . . .
C37 C 0.4210(4) 0.3250(5) 0.1268(3) 0.0501(19) Uani 1 1 d . . . . .
C38 C 0.4849(5) 0.3367(6) 0.1273(3) 0.065(2) Uani 1 1 d . . . . .
C39 C 0.5667(6) 0.3251(8) 0.1314(5) 0.103(4) Uani 1 1 d . U . . .
C43 C 0.2523(4) 0.3954(5) 0.0388(2) 0.0447(18) Uani 1 1 d . . . . .
C44 C 0.2925(5) 0.3844(5) 0.0149(3) 0.055(2) Uani 1 1 d . . . . .
C45 C 0.3373(5) 0.3748(7) -0.0169(3) 0.070(3) Uani 1 1 d . . . . .
C46 C 0.3650(9) 0.2768(9) -0.0146(5) 0.147(6) Uani 1 1 d . . . . .
H46A H 0.399979 0.266664 0.013425 0.220 Uiso 1 1 calc GR . . . .
H46B H 0.388660 0.266317 -0.037948 0.220 Uiso 1 1 calc GR . . . .
H46C H 0.323988 0.235659 -0.017700 0.220 Uiso 1 1 calc GR . . . .
C47 C 0.2924(8) 0.3984(12) -0.0619(4) 0.148(6) Uani 1 1 d . . . . .
H47A H 0.243274 0.374186 -0.066203 0.223 Uiso 1 1 calc GR . . . .
H47B H 0.314974 0.372724 -0.083425 0.223 Uiso 1 1 calc GR . . . .
H47C H 0.289840 0.463681 -0.065150 0.223 Uiso 1 1 calc GR . . . .
C48 C 0.4005(7) 0.4411(10) -0.0030(4) 0.122(5) Uani 1 1 d . . . . .
H48A H 0.381337 0.501781 -0.002396 0.183 Uiso 1 1 calc GR . . . .
H48B H 0.430490 0.438625 -0.023696 0.183 Uiso 1 1 calc GR . . . .
H48C H 0.430053 0.425055 0.025893 0.183 Uiso 1 1 calc GR . . . .
C49 C 0.0731(4) 0.2915(5) 0.0253(2) 0.0391(16) Uani 1 1 d . . . . .
C50 C 0.0890(4) 0.2232(5) 0.0081(2) 0.0462(18) Uani 1 1 d . . . . .
C51 C 0.0915(5) 0.1401(5) -0.0188(3) 0.059(2) Uani 1 1 d . . . . .
C52 C 0.0976(7) 0.0567(6) 0.0098(4) 0.097(4) Uani 1 1 d . . . . .
H52A H 0.144323 0.057253 0.031639 0.145 Uiso 1 1 calc GR . . . .
H52B H 0.094417 0.002935 -0.008199 0.145 Uiso 1 1 calc GR . . . .
H52C H 0.058053 0.056457 0.024176 0.145 Uiso 1 1 calc GR . . . .
C53 C 0.1601(6) 0.1473(9) -0.0380(3) 0.108(4) Uani 1 1 d . . . . .
H53A H 0.153960 0.198329 -0.057907 0.162 Uiso 1 1 calc GR . . . .
H53B H 0.164747 0.092159 -0.053655 0.162 Uiso 1 1 calc GR . . . .
H53C H 0.203859 0.155995 -0.014350 0.162 Uiso 1 1 calc GR . . . .
C54 C 0.0186(6) 0.1373(7) -0.0551(3) 0.098(4) Uani 1 1 d . . . . .
H54A H -0.022236 0.146000 -0.042168 0.147 Uiso 1 1 calc GR . . . .
H54B H 0.013822 0.079172 -0.069778 0.147 Uiso 1 1 calc GR . . . .
H54C H 0.018561 0.185074 -0.076142 0.147 Uiso 1 1 calc GR . . . .
C55 C 0.2615(5) 0.1875(5) 0.0814(3) 0.053(2) Uani 1 1 d . . . . .
C56 C 0.2962(5) 0.1183(7) 0.0947(3) 0.073(3) Uani 1 1 d . . . . .
C57 C 0.3428(7) 0.0329(8) 0.1005(4) 0.106(4) Uani 1 1 d . . . . .
C61 C 0.3631(5) 0.5741(5) 0.1280(3) 0.0512(19) Uani 1 1 d . . . . .
C62 C 0.4164(5) 0.6150(5) 0.1211(3) 0.056(2) Uani 1 1 d . . . . .
C63 C 0.4704(5) 0.6870(6) 0.1161(4) 0.074(3) Uani 1 1 d . . . . .
C64 C 0.5472(6) 0.6454(9) 0.1278(5) 0.119(5) Uani 1 1 d . . . . .
H64A H 0.582433 0.690222 0.123838 0.178 Uiso 1 1 calc GR . . . .
H64B H 0.548150 0.593961 0.108931 0.178 Uiso 1 1 calc GR . . . .
H64C H 0.559657 0.625636 0.158061 0.178 Uiso 1 1 calc GR . . . .
Cu1 Cu 0.07068(5) 0.42281(6) 0.01170(3) 0.0402(2) Uani 1 1 d . . . . .
Cu2 Cu 0.19544(5) 0.45599(6) 0.07303(3) 0.0429(2) Uani 1 1 d . . . . .
Cu3 Cu 0.05870(5) 0.33911(6) 0.08247(3) 0.0420(2) Uani 1 1 d . . . . .
Cu4 Cu 0.07819(5) 0.54611(6) 0.07817(3) 0.0450(2) Uani 1 1 d . . . . .
Cu5 Cu -0.05371(5) 0.43625(6) 0.04962(3) 0.0434(2) Uani 1 1 d . . . . .
Cu6 Cu 0.29337(5) 0.49873(6) 0.14685(3) 0.0502(3) Uani 1 1 d . . . . .
Cu7 Cu 0.19976(5) 0.36896(6) 0.14801(3) 0.0438(2) Uani 1 1 d . . . . .
Cu8 Cu 0.36152(6) 0.31495(7) 0.17139(3) 0.0599(3) Uani 1 1 d . . . . .
Cu9 Cu 0.06540(5) 0.36825(7) 0.16669(3) 0.0518(3) Uani 1 1 d . . . . .
Cu10 Cu 0.22604(6) 0.32423(7) 0.23096(3) 0.0559(3) Uani 1 1 d . . . . .
Cu11 Cu 0.41696(6) 0.46049(7) 0.12394(4) 0.0602(3) Uani 1 1 d . . . . .
Cu12 Cu 0.18407(6) 0.27523(7) 0.05841(4) 0.0631(3) Uani 1 1 d . . . . .
Cu13 Cu 0.31844(6) 0.31510(7) 0.08889(3) 0.0587(3) Uani 1 1 d . . . . .
Cu61 Cu 0.23857(7) 0.18521(7) 0.14089(4) 0.0667(3) Uani 1 1 d . . . . .
O1 O 0.3865(3) 0.2119(4) 0.2147(2) 0.0712(17) Uani 1 1 d . . . . .
O2 O 0.2707(4) 0.1324(5) 0.1996(2) 0.093(2) Uani 1 1 d . . . . .
O3 O 0.3042(4) 0.2355(5) 0.2606(2) 0.085(2) Uani 1 1 d . . . . .
O4 O 0.3684(4) 0.0941(5) 0.2636(2) 0.085(2) Uani 1 1 d . . . . .
O5 O -0.0253(3) 0.5768(3) 0.05842(15) 0.0442(12) Uani 1 1 d . U . . .
S1 S 0.33336(13) 0.16768(17) 0.23538(8) 0.0666(6) Uani 1 1 d . . . . .
C67 C -0.0750(15) 0.6165(18) 0.0790(9) 0.257(11) Uani 1 1 d . 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
C58A C57 1.48(3) . ?
C59A C57 1.62(4) . ?
C60A C57 1.65(4) . ?
C58B C57 1.66(4) . ?
C59B C57 1.61(5) . ?
C60B C57 1.48(5) . ?
C65A C63 1.50(2) . ?
C66A C63 1.64(2) . ?
C65B C63 1.82(4) . ?
C66B C63 1.43(4) . ?
C35A C33 1.81(6) . ?
C34A C33 1.53(6) . ?
C36A C33 1.45(7) . ?
C22A C21 1.54(2) . ?
C23A C21 1.63(2) . ?
C24A C21 1.47(2) . ?
C22B C21 1.36(8) . ?
C23B C21 1.65(6) . ?
C24B C21 1.44(6) . ?
C36B C33 1.56(2) . ?
C35B C33 1.514(18) . ?
C34B C33 1.63(2) . ?
C40A C39 1.49(2) . ?
C42A C39 1.54(2) . ?
C41A C39 1.59(3) . ?
C40B C39 1.45(4) . ?
C42B C39 1.65(4) . ?
C41B C39 1.48(4) . ?
C10A C9 1.47(3) . ?
C11A C9 1.58(3) . ?
C12A C9 1.62(3) . ?
C10B C9 1.56(3) . ?
C12B C9 1.53(3) . ?
C11B C9 1.59(4) . ?
C1 C2 1.228(10) 3_565 ?
C1 Cu1 1.941(8) . ?
C1 Cu2 2.463(7) . ?
C1 Cu4 2.167(7) . ?
C1 Cu5 2.064(6) 3_565 ?
C2 C3 1.486(10) . ?
C2 Cu5 2.120(7) . ?
C3 C4 1.528(13) . ?
C3 C5 1.531(14) . ?
C3 C6 1.521(13) . ?
C7 C8 1.241(10) . ?
C7 Cu3 1.995(8) . ?
C7 Cu5 2.028(7) . ?
C7 Cu9 2.040(7) . ?
C8 C9 1.484(12) . ?
C8 Cu9 2.123(8) . ?
C13 C14 1.219(10) . ?
C13 Cu3 2.147(7) . ?
C13 Cu7 1.960(7) . ?
C13 Cu9 2.391(7) . ?
C13 Cu61 2.232(7) . ?
C14 C15 1.464(11) . ?
C14 Cu61 2.432(8) . ?
C15 C16 1.539(12) . ?
C15 C17 1.569(13) . ?
C15 C18 1.484(13) . ?
C19 C20 1.206(10) . ?
C19 Cu9 1.896(8) . ?
C19 Cu10 2.046(8) . ?
C20 C21 1.516(11) . ?
C20 Cu10 2.082(8) . ?
C25 C26 1.234(10) . ?
C25 Cu6 2.119(7) . ?
C25 Cu7 1.994(7) . ?
C25 Cu8 2.126(8) . ?
C25 Cu10 2.125(7) . ?
C26 C27 1.476(11) . ?
C26 Cu6 2.256(8) . ?
C26 Cu8 2.423(8) . ?
C27 C28 1.500(14) . ?
C27 C29 1.532(15) . ?
C27 C30 1.513(15) . ?
C31 C32 1.231(10) . ?
C31 Cu2 1.950(7) . ?
C31 Cu4 2.031(7) . ?
C31 Cu6 2.184(7) . ?
C31 Cu7 2.267(7) . ?
C32 C33 1.504(11) . ?
C32 Cu4 2.117(7) . ?
C37 C38 1.202(11) . ?
C37 Cu8 2.001(8) . ?
C37 Cu11 1.985(8) . ?
C37 Cu13 1.982(8) . ?
C38 C39 1.510(13) . ?
C38 Cu11 2.199(9) . ?
C43 C44 1.199(10) . ?
C43 Cu2 1.910(7) . ?
C43 Cu12 2.344(8) . ?
C43 Cu13 2.089(7) . ?
C44 C45 1.463(11) . ?
C44 Cu13 2.459(8) . ?
C45 C46 1.520(15) . ?
C45 C47 1.483(15) . ?
C45 C48 1.503(15) . ?
C49 C50 1.207(10) . ?
C49 Cu1 1.967(7) . ?
C49 Cu3 2.003(7) . ?
C49 Cu12 2.078(7) . ?
C50 C51 1.487(11) . ?
C50 Cu12 2.184(7) . ?
C51 C52 1.499(12) . ?
C51 C53 1.553(14) . ?
C51 C54 1.535(12) . ?
C55 C56 1.217(11) . ?
C55 Cu12 1.929(9) . ?
C55 Cu13 2.131(8) . ?
C55 Cu61 2.016(8) . ?
C56 C57 1.507(14) . ?
C56 Cu61 2.240(10) . ?
C61 C62 1.226(11) . ?
C61 Cu6 1.913(8) . ?
C61 Cu11 1.963(8) . ?
C62 C63 1.494(12) . ?
C62 Cu11 2.263(8) . ?
C63 C64 1.514(14) . ?
Cu1 Cu2 2.6548(12) . ?
Cu1 Cu3 2.5916(11) . ?
Cu1 Cu4 2.7306(12) . ?
Cu1 Cu5 2.7797(12) 3_565 ?
Cu1 Cu5 2.8758(13) . ?
Cu1 O5 2.140(5) 3_565 ?
Cu2 Cu4 2.5968(13) . ?
Cu2 Cu6 2.6271(13) . ?
Cu2 Cu7 2.6540(12) . ?
Cu2 Cu12 2.6832(13) . ?
Cu2 Cu13 3.0311(14) . ?
Cu3 Cu4 3.0575(13) . ?
Cu3 Cu5 2.5247(12) . ?
Cu3 Cu7 2.9254(13) . ?
Cu3 Cu9 2.6427(12) . ?
Cu3 Cu12 2.7992(14) . ?
Cu4 Cu5 2.8841(13) . ?
Cu4 O5 1.925(5) . ?
Cu5 O5 2.124(5) . ?
Cu6 Cu7 2.5880(13) . ?
Cu6 Cu8 2.9896(15) . ?
Cu6 Cu11 2.6479(14) . ?
Cu7 Cu8 3.0250(14) . ?
Cu7 Cu9 2.7200(13) . ?
Cu7 Cu10 2.6001(13) . ?
Cu7 Cu61 2.8083(15) . ?
Cu8 Cu11 2.9341(15) . ?
Cu8 Cu13 2.5003(14) . ?
Cu8 Cu61 2.9426(16) . ?
Cu8 O1 2.001(6) . ?
Cu10 O3 1.995(6) . ?
Cu11 Cu13 2.8417(15) . ?
Cu12 Cu13 2.5133(14) . ?
Cu12 Cu61 2.8440(16) . ?
Cu61 O2 1.942(6) . ?
O1 S1 1.469(7) . ?
O2 S1 1.489(7) . ?
O3 S1 1.458(7) . ?
O4 S1 1.440(6) . ?
O5 C67 1.39(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
C2 C1 Cu1 159.6(6) 3_565 . ?
C2 C1 Cu2 116.1(5) 3_565 . ?
C2 C1 Cu4 117.0(6) 3_565 . ?
C2 C1 Cu5 75.4(4) 3_565 3_565 ?
Cu1 C1 Cu2 73.1(2) . . ?
Cu1 C1 Cu4 83.1(3) . . ?
Cu1 C1 Cu5 87.9(3) . 3_565 ?
Cu4 C1 Cu2 67.87(18) . . ?
Cu5 C1 Cu2 148.6(3) 3_565 . ?
Cu5 C1 Cu4 135.6(4) 3_565 . ?
C1 C2 C3 161.8(7) 3_565 . ?
C1 C2 Cu5 70.5(4) 3_565 . ?
C3 C2 Cu5 127.5(5) . . ?
C2 C3 C4 107.6(7) . . ?
C2 C3 C5 107.2(8) . . ?
C2 C3 C6 110.6(7) . . ?
C4 C3 C5 105.8(9) . . ?
C6 C3 C4 112.0(9) . . ?
C6 C3 C5 113.4(9) . . ?
C8 C7 Cu3 154.5(6) . . ?
C8 C7 Cu5 127.7(6) . . ?
C8 C7 Cu9 76.3(5) . . ?
Cu3 C7 Cu5 77.7(3) . . ?
Cu3 C7 Cu9 81.8(3) . . ?
Cu5 C7 Cu9 146.6(4) . . ?
C7 C8 C9 164.9(8) . . ?
C7 C8 Cu9 69.0(5) . . ?
C9 C8 Cu9 126.0(6) . . ?
C10A C9 C11A 107.3(18) . . ?
C10A C9 C12A 126.2(16) . . ?
C10A C9 C8 108.8(11) . . ?
C11A C9 C12A 100.0(17) . . ?
C10B C9 C11B 105.6(19) . . ?
C12B C9 C10B 124.0(18) . . ?
C12B C9 C11B 101.0(18) . . ?
C8 C9 C11A 104.3(12) . . ?
C8 C9 C12A 107.9(11) . . ?
C8 C9 C10B 104.3(12) . . ?
C8 C9 C12B 112.4(12) . . ?
C8 C9 C11B 108.6(13) . . ?
C14 C13 Cu3 113.2(6) . . ?
C14 C13 Cu7 154.5(6) . . ?
C14 C13 Cu9 102.3(5) . . ?
C14 C13 Cu61 84.2(5) . . ?
Cu3 C13 Cu9 71.0(2) . . ?
Cu3 C13 Cu61 136.5(3) . . ?
Cu7 C13 Cu3 90.7(3) . . ?
Cu7 C13 Cu9 76.7(2) . . ?
Cu7 C13 Cu61 83.9(3) . . ?
Cu61 C13 Cu9 146.9(3) . . ?
C13 C14 C15 172.8(8) . . ?
C13 C14 Cu61 65.9(5) . . ?
C15 C14 Cu61 121.0(6) . . ?
C14 C15 C16 107.1(7) . . ?
C14 C15 C17 106.8(7) . . ?
C14 C15 C18 111.7(8) . . ?
C16 C15 C17 110.9(9) . . ?
C18 C15 C16 110.1(8) . . ?
C18 C15 C17 110.0(8) . . ?
C20 C19 Cu9 168.9(8) . . ?
C20 C19 Cu10 74.7(6) . . ?
Cu9 C19 Cu10 109.4(4) . . ?
C19 C20 C21 161.8(9) . . ?
C19 C20 Cu10 71.3(5) . . ?
C21 C20 Cu10 126.8(7) . . ?
C22A C21 C23A 106.3(14) . . ?
C24A C21 C22A 119.2(14) . . ?
C24A C21 C23A 103.9(13) . . ?
C24A C21 C20 111.8(10) . . ?
C22B C21 C23B 103(3) . . ?
C22B C21 C24B 117(4) . . ?
C22B C21 C20 113(3) . . ?
C24B C21 C23B 101(3) . . ?
C24B C21 C20 114.8(19) . . ?
C20 C21 C22A 109.3(11) . . ?
C20 C21 C23A 105.1(10) . . ?
C20 C21 C23B 104.4(17) . . ?
C26 C25 Cu6 79.8(5) . . ?
C26 C25 Cu7 157.6(6) . . ?
C26 C25 Cu8 88.1(6) . . ?
C26 C25 Cu10 121.5(6) . . ?
Cu6 C25 Cu8 89.5(3) . . ?
Cu6 C25 Cu10 149.2(4) . . ?
Cu7 C25 Cu6 77.9(2) . . ?
Cu7 C25 Cu8 94.4(3) . . ?
Cu7 C25 Cu10 78.2(3) . . ?
Cu10 C25 Cu8 111.4(3) . . ?
C25 C26 C27 163.1(8) . . ?
C25 C26 Cu6 67.6(5) . . ?
C25 C26 Cu8 61.3(5) . . ?
C27 C26 Cu6 128.7(6) . . ?
C27 C26 Cu8 121.7(6) . . ?
Cu6 C26 Cu8 79.3(2) . . ?
C26 C27 C28 107.0(8) . . ?
C26 C27 C29 113.9(8) . . ?
C26 C27 C30 108.0(8) . . ?
C28 C27 C29 110.9(10) . . ?
C28 C27 C30 109.5(10) . . ?
C30 C27 C29 107.6(10) . . ?
C32 C31 Cu2 155.3(6) . . ?
C32 C31 Cu4 76.6(5) . . ?
C32 C31 Cu6 117.7(6) . . ?
C32 C31 Cu7 123.9(5) . . ?
Cu2 C31 Cu4 81.4(2) . . ?
Cu2 C31 Cu6 78.7(2) . . ?
Cu2 C31 Cu7 77.6(2) . . ?
Cu4 C31 Cu6 153.1(3) . . ?
Cu4 C31 Cu7 121.7(3) . . ?
Cu6 C31 Cu7 71.1(2) . . ?
C31 C32 C33 160.7(8) . . ?
C31 C32 Cu4 68.9(4) . . ?
C33 C32 Cu4 130.2(6) . . ?
C34A C33 C35A 112(3) . . ?
C36A C33 C35A 112(3) . . ?
C36A C33 C34A 120(4) . . ?
C36A C33 C32 106(3) . . ?
C36B C33 C34B 109.0(12) . . ?
C35B C33 C36B 113.2(12) . . ?
C35B C33 C34B 108.9(11) . . ?
C32 C33 C35A 97.4(15) . . ?
C32 C33 C34A 105.9(19) . . ?
C32 C33 C36B 107.3(9) . . ?
C32 C33 C35B 109.2(8) . . ?
C32 C33 C34B 109.3(9) . . ?
C38 C37 Cu8 136.8(7) . . ?
C38 C37 Cu11 83.3(6) . . ?
C38 C37 Cu13 145.3(7) . . ?
Cu11 C37 Cu8 94.8(3) . . ?
Cu13 C37 Cu8 77.8(3) . . ?
Cu13 C37 Cu11 91.5(3) . . ?
C37 C38 C39 164.8(10) . . ?
C37 C38 Cu11 63.8(5) . . ?
C39 C38 Cu11 131.0(7) . . ?
C40A C39 C42A 110.4(16) . . ?
C40A C39 C41A 114.9(16) . . ?
C40A C39 C38 111.6(11) . . ?
C42A C39 C41A 105.8(15) . . ?
C40B C39 C42B 108(2) . . ?
C40B C39 C41B 112(3) . . ?
C40B C39 C38 112.3(15) . . ?
C41B C39 C42B 111(2) . . ?
C41B C39 C38 108.4(19) . . ?
C38 C39 C42A 108.4(12) . . ?
C38 C39 C41A 105.2(13) . . ?
C38 C39 C42B 105.1(15) . . ?
C44 C43 Cu2 160.0(7) . . ?
C44 C43 Cu12 122.2(6) . . ?
C44 C43 Cu13 92.8(6) . . ?
Cu2 C43 Cu12 77.5(3) . . ?
Cu2 C43 Cu13 98.5(3) . . ?
Cu13 C43 Cu12 68.8(2) . . ?
C43 C44 C45 175.5(9) . . ?
C43 C44 Cu13 58.1(5) . . ?
C45 C44 Cu13 126.4(6) . . ?
C44 C45 C46 107.8(8) . . ?
C44 C45 C47 110.0(9) . . ?
C44 C45 C48 106.6(8) . . ?
C47 C45 C46 111.6(11) . . ?
C47 C45 C48 109.5(10) . . ?
C48 C45 C46 111.2(10) . . ?
C50 C49 Cu1 134.9(6) . . ?
C50 C49 Cu3 142.3(6) . . ?
C50 C49 Cu12 78.4(5) . . ?
Cu1 C49 Cu3 81.5(3) . . ?
Cu1 C49 Cu12 100.6(3) . . ?
Cu3 C49 Cu12 86.6(3) . . ?
C49 C50 C51 167.5(8) . . ?
C49 C50 Cu12 68.8(5) . . ?
C51 C50 Cu12 123.7(6) . . ?
C50 C51 C52 109.7(7) . . ?
C50 C51 C53 108.3(7) . . ?
C50 C51 C54 106.8(7) . . ?
C52 C51 C53 110.1(9) . . ?
C52 C51 C54 109.7(8) . . ?
C54 C51 C53 112.1(8) . . ?
C56 C55 Cu12 164.5(8) . . ?
C56 C55 Cu13 119.0(7) . . ?
C56 C55 Cu61 83.8(6) . . ?
Cu12 C55 Cu13 76.3(3) . . ?
Cu12 C55 Cu61 92.2(3) . . ?
Cu61 C55 Cu13 97.6(3) . . ?
C55 C56 C57 166.5(11) . . ?
C55 C56 Cu61 63.5(6) . . ?
C57 C56 Cu61 130.0(8) . . ?
C58A C57 C59A 111.4(16) . . ?
C58A C57 C60A 113.5(18) . . ?
C58A C57 C56 110.3(14) . . ?
C59A C57 C60A 112.1(18) . . ?
C59B C57 C58B 114(2) . . ?
C60B C57 C58B 113(2) . . ?
C60B C57 C59B 108(2) . . ?
C60B C57 C56 108.7(19) . . ?
C56 C57 C59A 103.8(14) . . ?
C56 C57 C60A 105.1(14) . . ?
C56 C57 C58B 105.6(15) . . ?
C56 C57 C59B 107.5(18) . . ?
C62 C61 Cu6 169.5(7) . . ?
C62 C61 Cu11 87.2(6) . . ?
Cu6 C61 Cu11 86.2(3) . . ?
C61 C62 C63 164.3(9) . . ?
C61 C62 Cu11 60.1(5) . . ?
C63 C62 Cu11 135.3(6) . . ?
C65A C63 C66A 115.8(12) . . ?
C65A C63 C64 116.1(12) . . ?
C66B C63 C65B 113(2) . . ?
C66B C63 C62 107.0(18) . . ?
C66B C63 C64 126(2) . . ?
C62 C63 C65A 111.3(11) . . ?
C62 C63 C66A 104.9(10) . . ?
C62 C63 C65B 100.6(14) . . ?
C62 C63 C64 108.4(8) . . ?
C64 C63 C66A 99.1(12) . . ?
C64 C63 C65B 99.1(16) . . ?
C1 Cu1 C49 155.5(3) . . ?
C1 Cu1 Cu2 62.58(19) . . ?
C1 Cu1 Cu3 119.56(19) . . ?
C1 Cu1 Cu4 52.00(19) . . ?
C1 Cu1 Cu5 103.3(2) . . ?
C1 Cu1 Cu5 47.90(19) . 3_565 ?
C1 Cu1 O5 96.3(2) . 3_565 ?
C49 Cu1 Cu2 93.2(2) . . ?
C49 Cu1 Cu3 49.9(2) . . ?
C49 Cu1 Cu4 119.1(2) . . ?
C49 Cu1 Cu5 87.3(2) . . ?
C49 Cu1 Cu5 150.1(2) . 3_565 ?
C49 Cu1 O5 101.9(2) . 3_565 ?
Cu2 Cu1 Cu4 57.64(3) . . ?
Cu2 Cu1 Cu5 106.66(4) . 3_565 ?
Cu2 Cu1 Cu5 109.93(4) . . ?
Cu3 Cu1 Cu2 73.80(4) . . ?
Cu3 Cu1 Cu4 70.07(3) . . ?
Cu3 Cu1 Cu5 157.17(4) . 3_565 ?
Cu3 Cu1 Cu5 54.70(3) . . ?
Cu4 Cu1 Cu5 90.62(4) . 3_565 ?
Cu4 Cu1 Cu5 61.85(3) . . ?
Cu5 Cu1 Cu5 105.91(3) 3_565 . ?
O5 Cu1 Cu2 141.56(14) 3_565 . ?
O5 Cu1 Cu3 141.27(14) 3_565 . ?
O5 Cu1 Cu4 135.17(13) 3_565 . ?
O5 Cu1 Cu5 105.97(13) 3_565 . ?
O5 Cu1 Cu5 49.05(13) 3_565 3_565 ?
C1 Cu2 Cu1 44.36(17) . . ?
C1 Cu2 Cu4 50.63(16) . . ?
C1 Cu2 Cu6 133.40(17) . . ?
C1 Cu2 Cu7 139.85(17) . . ?
C1 Cu2 Cu12 113.52(17) . . ?
C1 Cu2 Cu13 144.35(16) . . ?
C31 Cu2 C1 96.9(2) . . ?
C31 Cu2 Cu1 109.9(2) . . ?
C31 Cu2 Cu4 50.6(2) . . ?
C31 Cu2 Cu6 54.6(2) . . ?
C31 Cu2 Cu7 56.5(2) . . ?
C31 Cu2 Cu12 123.2(2) . . ?
C31 Cu2 Cu13 118.4(2) . . ?
C43 Cu2 C1 101.5(3) . . ?
C43 Cu2 C31 158.4(3) . . ?
C43 Cu2 Cu1 91.2(2) . . ?
C43 Cu2 Cu4 150.5(2) . . ?
C43 Cu2 Cu6 104.0(2) . . ?
C43 Cu2 Cu7 112.3(2) . . ?
C43 Cu2 Cu12 58.5(2) . . ?
C43 Cu2 Cu13 43.0(2) . . ?
Cu1 Cu2 Cu12 71.35(3) . . ?
Cu1 Cu2 Cu13 118.76(4) . . ?
Cu4 Cu2 Cu1 62.65(3) . . ?
Cu4 Cu2 Cu6 103.40(4) . . ?
Cu4 Cu2 Cu7 91.29(4) . . ?
Cu4 Cu2 Cu12 118.69(4) . . ?
Cu4 Cu2 Cu13 161.99(5) . . ?
Cu6 Cu2 Cu1 164.24(5) . . ?
Cu6 Cu2 Cu7 58.68(3) . . ?
Cu6 Cu2 Cu12 113.04(4) . . ?
Cu6 Cu2 Cu13 72.01(4) . . ?
Cu7 Cu2 Cu1 111.91(4) . . ?
Cu7 Cu2 Cu12 70.18(4) . . ?
Cu7 Cu2 Cu13 71.33(4) . . ?
Cu12 Cu2 Cu13 51.75(3) . . ?
C7 Cu3 C13 103.6(3) . . ?
C7 Cu3 C49 142.3(3) . . ?
C7 Cu3 Cu1 118.0(2) . . ?
C7 Cu3 Cu4 79.7(2) . . ?
C7 Cu3 Cu5 51.7(2) . . ?
C7 Cu3 Cu7 105.6(2) . . ?
C7 Cu3 Cu9 49.8(2) . . ?
C7 Cu3 Cu12 169.4(2) . . ?
C13 Cu3 Cu1 134.55(19) . . ?
C13 Cu3 Cu4 118.9(2) . . ?
C13 Cu3 Cu5 155.29(19) . . ?
C13 Cu3 Cu7 42.1(2) . . ?
C13 Cu3 Cu9 58.80(19) . . ?
C13 Cu3 Cu12 66.47(18) . . ?
C49 Cu3 C13 106.1(3) . . ?
C49 Cu3 Cu1 48.6(2) . . ?
C49 Cu3 Cu4 105.1(2) . . ?
C49 Cu3 Cu5 96.96(19) . . ?
C49 Cu3 Cu7 112.0(2) . . ?
C49 Cu3 Cu9 164.9(2) . . ?
C49 Cu3 Cu12 47.83(19) . . ?
Cu1 Cu3 Cu4 57.10(3) . . ?
Cu1 Cu3 Cu7 105.59(4) . . ?
Cu1 Cu3 Cu9 141.71(5) . . ?
Cu1 Cu3 Cu12 70.43(4) . . ?
Cu5 Cu3 Cu1 68.39(3) . . ?
Cu5 Cu3 Cu4 61.34(3) . . ?
Cu5 Cu3 Cu7 134.91(4) . . ?
Cu5 Cu3 Cu9 97.83(4) . . ?
Cu5 Cu3 Cu12 138.08(4) . . ?
Cu7 Cu3 Cu4 77.71(3) . . ?
Cu9 Cu3 Cu4 84.76(4) . . ?
Cu9 Cu3 Cu7 58.22(3) . . ?
Cu9 Cu3 Cu12 119.66(4) . . ?
Cu12 Cu3 Cu4 101.63(4) . . ?
Cu12 Cu3 Cu7 64.78(3) . . ?
C1 Cu4 Cu1 44.9(2) . . ?
C1 Cu4 Cu2 61.49(18) . . ?
C1 Cu4 Cu3 96.1(2) . . ?
C1 Cu4 Cu5 97.3(2) . . ?
C31 Cu4 C1 104.5(3) . . ?
C31 Cu4 C32 34.4(3) . . ?
C31 Cu4 Cu1 104.6(2) . . ?
C31 Cu4 Cu2 47.95(19) . . ?
C31 Cu4 Cu3 80.5(2) . . ?
C31 Cu4 Cu5 127.8(2) . . ?
C32 Cu4 C1 129.9(3) . . ?
C32 Cu4 Cu1 138.5(2) . . ?
C32 Cu4 Cu2 81.9(2) . . ?
C32 Cu4 Cu3 100.0(2) . . ?
C32 Cu4 Cu5 128.9(2) . . ?
Cu1 Cu4 Cu3 52.83(3) . . ?
Cu1 Cu4 Cu5 61.55(3) . . ?
Cu2 Cu4 Cu1 59.72(3) . . ?
Cu2 Cu4 Cu3 67.15(3) . . ?
Cu2 Cu4 Cu5 111.38(4) . . ?
Cu5 Cu4 Cu3 50.19(3) . . ?
O5 Cu4 C1 100.8(2) . . ?
O5 Cu4 C31 154.6(2) . . ?
O5 Cu4 C32 123.5(3) . . ?
O5 Cu4 Cu1 93.39(14) . . ?
O5 Cu4 Cu2 153.10(14) . . ?
O5 Cu4 Cu3 97.12(14) . . ?
O5 Cu4 Cu5 47.41(14) . . ?
C1 Cu5 C2 34.1(3) 3_565 . ?
C1 Cu5 Cu1 44.2(2) 3_565 3_565 ?
C1 Cu5 Cu1 81.2(2) 3_565 . ?
C1 Cu5 Cu3 128.6(2) 3_565 . ?
C1 Cu5 Cu4 114.2(2) 3_565 . ?
C1 Cu5 O5 93.2(2) 3_565 . ?
C2 Cu5 Cu1 77.87(19) . 3_565 ?
C2 Cu5 Cu1 96.5(2) . . ?
C2 Cu5 Cu3 117.0(2) . . ?
C2 Cu5 Cu4 145.9(2) . . ?
C2 Cu5 O5 124.8(2) . . ?
C7 Cu5 C1 161.2(3) . 3_565 ?
C7 Cu5 C2 127.1(3) . . ?
C7 Cu5 Cu1 105.8(2) . . ?
C7 Cu5 Cu1 154.1(2) . 3_565 ?
C7 Cu5 Cu3 50.5(2) . . ?
C7 Cu5 Cu4 83.7(2) . . ?
C7 Cu5 O5 104.6(2) . . ?
Cu1 Cu5 Cu1 74.09(4) 3_565 . ?
Cu1 Cu5 Cu4 74.75(3) 3_565 . ?
Cu1 Cu5 Cu4 56.60(3) . . ?
Cu3 Cu5 Cu1 129.33(4) . 3_565 ?
Cu3 Cu5 Cu1 56.91(3) . . ?
Cu3 Cu5 Cu4 68.47(3) . . ?
O5 Cu5 Cu1 85.33(13) . . ?
O5 Cu5 Cu1 49.57(12) . 3_565 ?
O5 Cu5 Cu3 109.79(13) . . ?
O5 Cu5 Cu4 41.87(13) . . ?
C25 Cu6 C26 32.6(3) . . ?
C25 Cu6 C31 94.7(3) . . ?
C25 Cu6 Cu2 109.3(2) . . ?
C25 Cu6 Cu7 48.9(2) . . ?
C25 Cu6 Cu8 45.3(2) . . ?
C25 Cu6 Cu11 104.5(2) . . ?
C26 Cu6 Cu2 141.5(2) . . ?
C26 Cu6 Cu7 81.4(2) . . ?
C26 Cu6 Cu8 52.8(2) . . ?
C26 Cu6 Cu11 90.2(2) . . ?
C31 Cu6 C26 119.4(3) . . ?
C31 Cu6 Cu2 46.71(17) . . ?
C31 Cu6 Cu7 55.95(18) . . ?
C31 Cu6 Cu8 120.75(19) . . ?
C31 Cu6 Cu11 145.90(18) . . ?
C61 Cu6 C25 140.3(3) . . ?
C61 Cu6 C26 110.0(3) . . ?
C61 Cu6 C31 124.3(3) . . ?
C61 Cu6 Cu2 103.9(2) . . ?
C61 Cu6 Cu7 160.7(2) . . ?
C61 Cu6 Cu8 108.6(2) . . ?
C61 Cu6 Cu11 47.7(2) . . ?
Cu2 Cu6 Cu8 99.55(4) . . ?
Cu2 Cu6 Cu11 99.74(4) . . ?
Cu7 Cu6 Cu2 61.18(3) . . ?
Cu7 Cu6 Cu8 65.22(4) . . ?
Cu7 Cu6 Cu11 119.22(5) . . ?
Cu11 Cu6 Cu8 62.38(4) . . ?
C13 Cu7 C25 135.5(3) . . ?
C13 Cu7 C31 126.5(3) . . ?
C13 Cu7 Cu2 107.7(2) . . ?
C13 Cu7 Cu3 47.2(2) . . ?
C13 Cu7 Cu6 164.9(2) . . ?
C13 Cu7 Cu8 112.5(2) . . ?
C13 Cu7 Cu9 58.8(2) . . ?
C13 Cu7 Cu10 88.5(2) . . ?
C13 Cu7 Cu61 52.2(2) . . ?
C25 Cu7 C31 95.7(3) . . ?
C25 Cu7 Cu2 112.5(2) . . ?
C25 Cu7 Cu3 173.0(2) . . ?
C25 Cu7 Cu6 53.2(2) . . ?
C25 Cu7 Cu8 44.5(2) . . ?
C25 Cu7 Cu9 118.7(2) . . ?
C25 Cu7 Cu10 53.1(2) . . ?
C25 Cu7 Cu61 95.7(2) . . ?
C31 Cu7 Cu2 45.86(17) . . ?
C31 Cu7 Cu3 80.10(17) . . ?
C31 Cu7 Cu6 52.97(17) . . ?
C31 Cu7 Cu8 116.39(17) . . ?
C31 Cu7 Cu9 86.52(17) . . ?
C31 Cu7 Cu10 122.32(17) . . ?
C31 Cu7 Cu61 155.66(17) . . ?
Cu2 Cu7 Cu3 68.56(3) . . ?
Cu2 Cu7 Cu8 98.06(4) . . ?
Cu2 Cu7 Cu9 111.89(4) . . ?
Cu2 Cu7 Cu61 109.80(4) . . ?
Cu3 Cu7 Cu8 142.54(4) . . ?
Cu6 Cu7 Cu2 60.14(3) . . ?
Cu6 Cu7 Cu3 126.11(4) . . ?
Cu6 Cu7 Cu8 63.81(4) . . ?
Cu6 Cu7 Cu9 132.07(5) . . ?
Cu6 Cu7 Cu10 104.15(4) . . ?
Cu6 Cu7 Cu61 120.80(5) . . ?
Cu9 Cu7 Cu3 55.68(3) . . ?
Cu9 Cu7 Cu8 150.05(4) . . ?
Cu9 Cu7 Cu61 106.55(4) . . ?
Cu10 Cu7 Cu2 163.65(5) . . ?
Cu10 Cu7 Cu3 124.57(4) . . ?
Cu10 Cu7 Cu8 76.87(4) . . ?
Cu10 Cu7 Cu9 74.41(4) . . ?
Cu10 Cu7 Cu61 81.50(4) . . ?
Cu61 Cu7 Cu3 90.33(4) . . ?
Cu61 Cu7 Cu8 60.46(4) . . ?
C25 Cu8 C26 30.6(3) . . ?
C25 Cu8 Cu6 45.14(19) . . ?
C25 Cu8 Cu7 41.1(2) . . ?
C25 Cu8 Cu11 95.5(2) . . ?
C25 Cu8 Cu13 107.96(19) . . ?
C25 Cu8 Cu61 89.0(2) . . ?
C26 Cu8 Cu6 47.87(18) . . ?
C26 Cu8 Cu7 70.16(19) . . ?
C26 Cu8 Cu11 80.52(19) . . ?
C26 Cu8 Cu13 122.28(19) . . ?
C26 Cu8 Cu61 118.94(19) . . ?
C37 Cu8 C25 136.7(3) . . ?
C37 Cu8 C26 121.4(3) . . ?
C37 Cu8 Cu6 91.8(2) . . ?
C37 Cu8 Cu7 120.8(2) . . ?
C37 Cu8 Cu11 42.4(2) . . ?
C37 Cu8 Cu13 50.8(2) . . ?
C37 Cu8 Cu61 110.4(2) . . ?
Cu6 Cu8 Cu7 50.97(3) . . ?
Cu11 Cu8 Cu6 53.09(3) . . ?
Cu11 Cu8 Cu7 98.55(4) . . ?
Cu11 Cu8 Cu61 130.66(5) . . ?
Cu13 Cu8 Cu6 74.41(4) . . ?
Cu13 Cu8 Cu7 73.40(4) . . ?
Cu13 Cu8 Cu11 62.45(4) . . ?
Cu13 Cu8 Cu61 69.44(4) . . ?
Cu61 Cu8 Cu6 104.58(4) . . ?
Cu61 Cu8 Cu7 56.12(3) . . ?
O1 Cu8 C25 105.0(3) . . ?
O1 Cu8 C26 104.4(3) . . ?
O1 Cu8 C37 116.9(3) . . ?
O1 Cu8 Cu6 149.51(18) . . ?
O1 Cu8 Cu7 113.89(18) . . ?
O1 Cu8 Cu11 147.03(18) . . ?
O1 Cu8 Cu13 131.10(19) . . ?
O1 Cu8 Cu61 76.11(19) . . ?
C7 Cu9 C8 34.6(3) . . ?
C7 Cu9 C13 94.3(3) . . ?
C7 Cu9 Cu3 48.4(2) . . ?
C7 Cu9 Cu7 111.8(2) . . ?
C8 Cu9 C13 121.5(3) . . ?
C8 Cu9 Cu3 82.3(2) . . ?
C8 Cu9 Cu7 146.1(2) . . ?
C13 Cu9 Cu3 50.19(16) . . ?
C13 Cu9 Cu7 44.52(18) . . ?
C19 Cu9 C7 161.9(3) . . ?
C19 Cu9 C8 127.4(3) . . ?
C19 Cu9 C13 101.8(3) . . ?
C19 Cu9 Cu3 149.7(2) . . ?
C19 Cu9 Cu7 85.8(2) . . ?
Cu3 Cu9 Cu7 66.10(3) . . ?
C19 Cu10 C20 34.0(3) . . ?
C19 Cu10 C25 118.3(3) . . ?
C19 Cu10 Cu7 86.2(2) . . ?
C20 Cu10 C25 137.4(3) . . ?
C20 Cu10 Cu7 119.8(2) . . ?
C25 Cu10 Cu7 48.64(19) . . ?
O3 Cu10 C19 143.3(3) . . ?
O3 Cu10 C20 114.3(3) . . ?
O3 Cu10 C25 98.3(3) . . ?
O3 Cu10 Cu7 123.72(18) . . ?
C37 Cu11 C38 32.9(3) . . ?
C37 Cu11 C62 178.2(3) . . ?
C37 Cu11 Cu6 103.0(2) . . ?
C37 Cu11 Cu8 42.8(2) . . ?
C37 Cu11 Cu13 44.2(2) . . ?
C38 Cu11 C62 145.3(3) . . ?
C38 Cu11 Cu6 133.9(2) . . ?
C38 Cu11 Cu8 69.7(2) . . ?
C38 Cu11 Cu13 73.2(2) . . ?
C61 Cu11 C37 148.9(4) . . ?
C61 Cu11 C38 173.3(3) . . ?
C61 Cu11 C62 32.8(3) . . ?
C61 Cu11 Cu6 46.1(2) . . ?
C61 Cu11 Cu8 109.2(2) . . ?
C61 Cu11 Cu13 111.5(2) . . ?
C62 Cu11 Cu6 78.7(2) . . ?
C62 Cu11 Cu8 138.2(2) . . ?
C62 Cu11 Cu13 137.5(2) . . ?
Cu6 Cu11 Cu8 64.53(4) . . ?
Cu6 Cu11 Cu13 74.92(4) . . ?
Cu13 Cu11 Cu8 51.27(3) . . ?
C43 Cu12 Cu2 44.02(18) . . ?
C43 Cu12 Cu3 111.66(18) . . ?
C43 Cu12 Cu13 50.81(18) . . ?
C43 Cu12 Cu61 119.57(18) . . ?
C49 Cu12 C43 108.9(3) . . ?
C49 Cu12 C50 32.8(3) . . ?
C49 Cu12 Cu2 89.9(2) . . ?
C49 Cu12 Cu3 45.6(2) . . ?
C49 Cu12 Cu13 158.9(2) . . ?
C49 Cu12 Cu61 125.70(19) . . ?
C50 Cu12 C43 117.9(3) . . ?
C50 Cu12 Cu2 118.7(2) . . ?
C50 Cu12 Cu3 74.3(2) . . ?
C50 Cu12 Cu13 154.3(2) . . ?
C50 Cu12 Cu61 121.85(19) . . ?
C55 Cu12 C43 101.0(3) . . ?
C55 Cu12 C49 144.9(3) . . ?
C55 Cu12 C50 115.4(3) . . ?
C55 Cu12 Cu2 125.0(2) . . ?
C55 Cu12 Cu3 136.1(2) . . ?
C55 Cu12 Cu13 55.5(2) . . ?
C55 Cu12 Cu61 45.1(2) . . ?
Cu2 Cu12 Cu3 70.11(4) . . ?
Cu2 Cu12 Cu61 107.91(4) . . ?
Cu3 Cu12 Cu61 92.22(5) . . ?
Cu13 Cu12 Cu2 71.28(4) . . ?
Cu13 Cu12 Cu3 130.03(5) . . ?
Cu13 Cu12 Cu61 70.97(4) . . ?
C37 Cu13 C43 134.6(3) . . ?
C37 Cu13 C44 117.4(3) . . ?
C37 Cu13 C55 120.5(3) . . ?
C37 Cu13 Cu2 128.6(2) . . ?
C37 Cu13 Cu8 51.5(2) . . ?
C37 Cu13 Cu11 44.3(2) . . ?
C37 Cu13 Cu12 163.9(2) . . ?
C43 Cu13 C44 29.2(3) . . ?
C43 Cu13 C55 103.2(3) . . ?
C43 Cu13 Cu2 38.6(2) . . ?
C43 Cu13 Cu8 138.3(2) . . ?
C43 Cu13 Cu11 93.9(2) . . ?
C43 Cu13 Cu12 60.4(2) . . ?
C44 Cu13 Cu2 66.9(2) . . ?
C44 Cu13 Cu8 155.0(2) . . ?
C44 Cu13 Cu11 90.34(19) . . ?
C44 Cu13 Cu12 78.6(2) . . ?
C55 Cu13 C44 106.6(3) . . ?
C55 Cu13 Cu2 104.0(2) . . ?
C55 Cu13 Cu8 97.5(2) . . ?
C55 Cu13 Cu11 162.4(2) . . ?
C55 Cu13 Cu12 48.2(2) . . ?
Cu8 Cu13 Cu2 101.44(4) . . ?
Cu8 Cu13 Cu11 66.27(4) . . ?
Cu8 Cu13 Cu12 114.59(5) . . ?
Cu11 Cu13 Cu2 86.69(4) . . ?
Cu12 Cu13 Cu2 56.97(4) . . ?
Cu12 Cu13 Cu11 143.55(5) . . ?
C13 Cu61 C14 29.9(2) . . ?
C13 Cu61 C56 135.7(3) . . ?
C13 Cu61 Cu7 43.93(19) . . ?
C13 Cu61 Cu8 107.2(2) . . ?
C13 Cu61 Cu12 64.71(18) . . ?
C14 Cu61 Cu7 72.25(18) . . ?
C14 Cu61 Cu8 132.64(18) . . ?
C14 Cu61 Cu12 82.42(17) . . ?
C55 Cu61 C13 106.9(3) . . ?
C55 Cu61 C14 117.0(3) . . ?
C55 Cu61 C56 32.7(3) . . ?
C55 Cu61 Cu7 100.2(2) . . ?
C55 Cu61 Cu8 87.4(2) . . ?
C55 Cu61 Cu12 42.7(2) . . ?
C56 Cu61 C14 131.5(3) . . ?
C56 Cu61 Cu7 130.3(3) . . ?
C56 Cu61 Cu8 91.5(2) . . ?
C56 Cu61 Cu12 74.6(2) . . ?
Cu7 Cu61 Cu8 63.42(4) . . ?
Cu7 Cu61 Cu12 65.76(4) . . ?
Cu12 Cu61 Cu8 93.60(4) . . ?
O2 Cu61 C13 110.3(3) . . ?
O2 Cu61 C14 94.1(3) . . ?
O2 Cu61 C55 142.6(4) . . ?
O2 Cu61 C56 110.8(3) . . ?
O2 Cu61 Cu7 109.2(2) . . ?
O2 Cu61 Cu8 85.7(2) . . ?
O2 Cu61 Cu12 174.5(2) . . ?
S1 O1 Cu8 124.4(3) . . ?
S1 O2 Cu61 124.4(4) . . ?
S1 O3 Cu10 121.5(4) . . ?
Cu4 O5 Cu1 115.4(2) . 3_565 ?
Cu4 O5 Cu5 90.72(19) . . ?
Cu5 O5 Cu1 81.37(16) . 3_565 ?
C67 O5 Cu1 109.9(12) . 3_565 ?
C67 O5 Cu4 133.3(12) . . ?
C67 O5 Cu5 107.0(12) . . ?
O1 S1 O2 108.1(4) . . ?
O3 S1 O1 109.2(4) . . ?
O3 S1 O2 108.2(5) . . ?
O4 S1 O1 110.4(4) . . ?
O4 S1 O2 110.4(4) . . ?
O4 S1 O3 110.6(4) . . ?

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

data_4
_database_code_depnum_ccdc_archive 'CCDC 1907668'
loop_
_audit_author_name
_audit_author_address
'Leon Li-Min Zhang'
;The Chinese University of Hong Kong
China
;
_audit_update_record             
;
2019-04-03 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-03-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C180 H289 B3 Cl4 Cu47 F12 O22 P2 V2'
_chemical_formula_sum            'C180 H289 B3 Cl4 Cu47 F12 O22 P2 V2'
_chemical_formula_weight         6357.9246
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   19.9192(17)
_cell_length_b                   20.0207(17)
_cell_length_c                   32.564(3)
_cell_angle_alpha                90.482(2)
_cell_angle_beta                 101.813(2)
_cell_angle_gamma                116.372(2)
_cell_volume                     11315.1(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9280
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.59
_cell_measurement_theta_min      2.50
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.507
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'rose red'
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             6278.5
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            162295
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         0.643
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                30553
_reflns_number_total             39554
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         3.572
_refine_diff_density_min         -1.796
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2656
_refine_ls_number_reflns         39554
_refine_ls_number_restraints     258
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0681
_refine_ls_restrained_S_all      1.117
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0626P)²+197.8928P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1683
_refine_ls_wR_factor_ref         0.1920
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C9-C10 = C9-C11 = C9-C12 = C9B-C10B = C9B-C11B = C9B-C12 = C9B-C12B
 1.53 with sigma of 0.01
 C81-C82A = C81-C82B = C81-C83A = C81-C83B = C81-C84 = C81-C84
 1.53 with sigma of 0.01
 C15-C17A = C15-C17B = C33-C36 = C87A-C90A
 1.53 with sigma of 0.01
 C173-C174 = C175-C176
 1.53 with sigma of 0.01
 C177-C178 = C179-C180
 1.53 with sigma of 0.01
 C174-O20 = C175-O20
 1.4 with sigma of 0.01
 C178-O21 = C179-O21
 1.4 with sigma of 0.01
 Cl3-C172 = Cl4-C172
 1.75 with sigma of 0.01
3. Rigid bond restraints
 C8, C9, C81, C84, C93, C94A
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 C123, C124
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 C177, C178, C179, C180
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 O21, C178, O21, C179
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq, Uanis(C82A) \\sim Ueq, Uanis(C82B) \\sim Ueq, Uanis(C83A)
\\sim Ueq, Uanis(C17A) \\sim Ueq, Uanis(C17B) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C24) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C42)
\\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C90) \\sim Ueq,
Uanis(C94) \\sim Ueq, Uanis(C94A) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C90A)
\\sim Ueq, Uanis(C112) \\sim Ueq, Uanis(C123) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C65) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C76)
\\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C87A) \\sim Ueq,
Uanis(C88) \\sim Ueq, Uanis(C126) \\sim Ueq, Uanis(C130) \\sim Ueq, Uanis(C132)
\\sim Ueq, Uanis(C153) \\sim Ueq, Uanis(C154) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C177) \\sim Ueq, Uanis(C178) \\sim Ueq, Uanis(O21) \\sim Ueq, Uanis(C179)
\\sim Ueq, Uanis(C180) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C40A) = Uanis(C40)
Uanis(Cu47) = Uanis(CU97)
Uanis(C35) = Uanis(C35A)
Uanis(C36) = Uanis(C36A)
Uanis(C53A) = Uanis(C53B)
Uanis(C83A) = Uanis(C83B)
Uanis(C94) = Uanis(C94A)
Uanis(C17A) = Uanis(C17B)
Uanis(C76) = Uanis(C76B)
Uanis(C9) = Uanis(C9B)
Uanis(C10) = Uanis(C10B)
Uanis(C41) = Uanis(C41A)
Uanis(C11) = Uanis(C11B)
Uanis(C12) = Uanis(C12B)
Uanis(C106) = Uanis(C206)
Uanis(C107) = Uanis(C207)
Uanis(C108) = Uanis(C208)
5. Others
 Sof(CU97)=Sof(Cu2A)=Sof(Cu4A)=1-FVAR(1)
 Sof(Cu47)=Sof(Cu2)=Sof(Cu4)=FVAR(1)
 Sof(C8B)=Sof(C9B)=Sof(C10B)=Sof(H10V)=Sof(H9A)=Sof(H9B)=Sof(C11B)=Sof(H11S)=
 Sof(H11T)=Sof(H11U)=Sof(C12B)=Sof(H12Q)=Sof(H12D)=Sof(H12R)=Sof(C76B)=1-FVAR(2)
 Sof(C8)=Sof(C9)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=Sof(C11)=Sof(H11A)=
 Sof(H11B)=Sof(H11C)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=Sof(C76)=Sof(H76A)=
 Sof(H76B)=Sof(H76C)=FVAR(2)
 Sof(C82B)=Sof(H82D)=Sof(H82E)=Sof(H82F)=Sof(C83B)=Sof(H83D)=Sof(H83E)=
 Sof(H83F)=1-FVAR(3)
 Sof(C82A)=Sof(H82A)=Sof(H82B)=Sof(H82C)=Sof(C83A)=Sof(H83A)=Sof(H83B)=
 Sof(H83C)=FVAR(3)
 Sof(C17B)=1-FVAR(4)
 Sof(C17A)=FVAR(4)
 Sof(C53B)=Sof(H53D)=Sof(H53E)=Sof(H53F)=1-FVAR(5)
 Sof(C53A)=Sof(H53A)=Sof(H53B)=Sof(H53C)=FVAR(5)
 Sof(C87A)=Sof(C90A)=1-FVAR(6)
 Sof(C87)=Sof(C90)=Sof(H90A)=Sof(H90B)=Sof(H90C)=FVAR(6)
 Sof(C94A)=1-FVAR(7)
 Sof(C94)=Sof(H94A)=Sof(H94B)=Sof(H94C)=FVAR(7)
 Sof(C40A)=Sof(H40F)=Sof(H40G)=Sof(H40H)=Sof(C41A)=Sof(H41D)=Sof(H41E)=
 Sof(H41F)=Sof(C35A)=Sof(H35E)=Sof(H35F)=Sof(H35G)=Sof(C206)=Sof(H20A)=
 Sof(H20B)=Sof(H20C)=Sof(C207)=Sof(H20D)=Sof(H20E)=Sof(H20F)=Sof(C208)=
 Sof(H20G)=Sof(H20H)=Sof(H20I)=Sof(C36A)=Sof(H36C)=Sof(H35H)=Sof(H36D)=1-FVAR(8)
 Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(H40C)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=
 Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=Sof(C106)=Sof(H10D)=Sof(H10E)=Sof(H10F)=
 Sof(C107)=Sof(H10G)=Sof(H10H)=Sof(H10I)=Sof(C108)=Sof(H10J)=Sof(H10K)=
 Sof(H10L)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(H35D)=FVAR(8)
 Fixed Sof: C179(0.5) C180(0.5) C172(0.5) C272(0.5) C280(0.5) C279(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C171(H17D,H17E)
6.b Me refined with riding coordinates:
 C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C40A(H40F,H40G,H40H), C41A(H41D,
 H41E,H41F), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C35(H35A,H35B,H35C), C106(H10D,H10E,H10F), C107(H10G,H10H,H10I), C108(H10J,
 H10K,H10L), C36(H36A,H36B,H35D), C42(H42,H40D,H40E), C76(H76A,H76B,H76C),
 C78(H78A,H78B,H78C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C), C35A(H35E,H35F,
 H35G), C206(H20A,H20B,H20C), C207(H20D,H20E,H20F), C208(H20G,H20H,H20I),
 C36A(H36C,H35H,H36D), C53A(H53A,H53B,H53C), C82A(H82A,H82B,H82C), C83A(H83A,
 H83B,H83C), C10B(H10V,H9A,H9B), C11B(H11S,H11T,H11U), C12B(H12Q,H12D,H12R),
 C53B(H53D,H53E,H53F), C82B(H82D,H82E,H82F), C83B(H83D,H83E,H83F)
6.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C16(H16A,H16B,H16C),
 C18(H18A,H18B,H18C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C46(H46A,
 H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C52(H52A,H52B,H52C),
 C54(H54A,H54B,H54C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,
 H60C), C64(H64A,H64B,H64C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C70(H70A,
 H70B,H70C), C71(H71A,H71B,H71C), C72(H72A,H72B,H72C), C77(H77A,H77B,H77C),
 C84(H84A,H84B,H84C), C88(H88A,H88B,H88C), C89(H89A,H89B,H89C), C90(H90A,H90B,
 H90C), C94(H94A,H94B,H94C), C100(H10M,H10N,H10O), C101(H10P,H10Q,H10R),
 C102(H10S,H10T,H10U), C112(H11D,H11E,H11F), C113(H11G,H11H,H11I), C114(H11J,
 H11K,H11L), C118(H11M,H11N,H11O), C119(H11P,H11Q,H11R), C120(H12E,H12F,H12G),
 C124(H12H,H12I,H12J), C125(H12K,H12L,H12M), C126(H12N,H12O,H12P), C130(H13A,
 H13B,H13C), C131(H13D,H13E,H13F), C132(H13G,H13H,H13I), C136(H13J,H13K,H13L),
 C137(H13M,H13N,H13O), C138(H13P,H13Q,H13R), C142(H14A,H14B,H14C), C143(H14D,
 H14E,H14F), C144(H14G,H14H,H14I), C148(H14J,H14K,H14L), C149(H14M,H14N,H14O),
 C150(H15A,H15B,H15C), C154(H15D,H15E,H15F), C155(H15G,H15H,H15I), C156(H15J,
 H15K,H15L), C160(H16D,H16E,H16F), C161(H16G,H16H,H16I), C162(H16J,H16K,H16L),
 C164(H16M,H16N,H16O), C165(H16P,H16Q,H16R), C166(H16S,H16T,H16U), C168(H16V,
 H16W,H16X), C169(H16Y,H,HA), C170(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C40 C 0.0360(14) 0.6112(15) 0.0515(8) 0.081(7) Uani 0.655(9) 1 d . . P A 1
H40A H 0.025023 0.578507 0.073205 0.121 Uiso 0.655(9) 1 calc R . P A 1
H40B H -0.008548 0.593671 0.028386 0.121 Uiso 0.655(9) 1 calc R . P A 1
H40C H 0.078412 0.611414 0.041645 0.121 Uiso 0.655(9) 1 calc R . P A 1
C41 C -0.0120(14) 0.6609(17) 0.0867(9) 0.079(8) Uani 0.655(9) 1 d . U P A 1
H41A H -0.008036 0.626287 0.106076 0.118 Uiso 0.655(9) 1 calc R . P A 1
H41B H -0.017215 0.699804 0.101044 0.118 Uiso 0.655(9) 1 calc R . P A 1
H41C H -0.056213 0.634860 0.063767 0.118 Uiso 0.655(9) 1 calc R . P A 1
C40A C 0.070(3) 0.684(3) 0.0307(15) 0.081(7) Uani 0.345(9) 1 d . . P A 2
H40F H 0.064427 0.634086 0.026110 0.121 Uiso 0.345(9) 1 calc R . P A 2
H40G H 0.032666 0.690188 0.009434 0.121 Uiso 0.345(9) 1 calc R . P A 2
H40H H 0.120840 0.719866 0.029304 0.121 Uiso 0.345(9) 1 calc R . P A 2
C41A C -0.002(3) 0.708(3) 0.0867(19) 0.079(8) Uani 0.345(9) 1 d . . P A 2
H41D H 0.010136 0.712879 0.116954 0.118 Uiso 0.345(9) 1 calc R . P A 2
H41E H -0.002335 0.753625 0.077342 0.118 Uiso 0.345(9) 1 calc R . P A 2
H41F H -0.052412 0.666833 0.076024 0.118 Uiso 0.345(9) 1 calc R . P A 2
B1 B 0.2593(19) 0.6187(15) 0.5673(9) 0.108(9) Uani 1 1 d . . . . .
B2 B 0.1414(13) 0.1568(15) 0.4086(8) 0.107(10) Uani 1 1 d . . . . .
B3 B 0.3375(14) 0.2183(13) 0.0710(6) 0.078(6) Uani 1 1 d . . . . .
C1 C 0.0914(6) 0.6375(6) 0.3543(3) 0.033(2) Uani 1 1 d . . . . .
C2 C 0.0214(6) 0.6006(7) 0.3498(3) 0.041(3) Uani 1 1 d . . . . .
C3 C -0.0570(6) 0.5648(8) 0.3596(4) 0.054(3) Uani 1 1 d . . . . .
C4 C -0.1004(10) 0.6020(12) 0.3405(7) 0.109(7) Uani 1 1 d . U . . .
H4A H -0.071968 0.654816 0.349675 0.163 Uiso 1 1 calc GR . . . .
H4B H -0.148760 0.582186 0.348650 0.163 Uiso 1 1 calc GR . . . .
H4C H -0.109710 0.593943 0.310327 0.163 Uiso 1 1 calc GR . . . .
C5 C -0.0992(9) 0.4817(10) 0.3452(7) 0.101(7) Uani 1 1 d . . . . .
H5A H -0.141956 0.458420 0.358234 0.151 Uiso 1 1 calc GR . . . .
H5B H -0.064739 0.459965 0.353106 0.151 Uiso 1 1 calc GR . . . .
H5C H -0.117752 0.473811 0.315052 0.151 Uiso 1 1 calc GR . . . .
C6 C -0.0453(9) 0.5748(15) 0.4071(6) 0.128(10) Uani 1 1 d . . . . .
H6A H -0.024266 0.627142 0.416717 0.192 Uiso 1 1 calc GR . . . .
H6B H -0.010292 0.556051 0.420141 0.192 Uiso 1 1 calc GR . . . .
H6C H -0.093838 0.547640 0.414564 0.192 Uiso 1 1 calc GR . . . .
C7 C 0.6073(7) 0.6768(6) 0.3901(4) 0.045(3) Uani 1 1 d . . . . .
C8 C 0.6441(14) 0.7089(15) 0.4242(8) 0.048(6) Uani 0.515(10) 1 d . U P B 1
C9 C 0.6989(13) 0.7328(13) 0.4680(7) 0.059(5) Uani 0.515(10) 1 d D U P B 1
C10 C 0.7782(13) 0.793(2) 0.4647(10) 0.109(12) Uani 0.515(10) 1 d D . P B 1
H10A H 0.772990 0.834814 0.452431 0.164 Uiso 0.515(10) 1 calc R . P B 1
H10B H 0.811824 0.810635 0.492398 0.164 Uiso 0.515(10) 1 calc R . P B 1
H10C H 0.799541 0.772931 0.447288 0.164 Uiso 0.515(10) 1 calc R . P B 1
C11 C 0.6648(19) 0.762(2) 0.4976(8) 0.077(7) Uani 0.515(10) 1 d D . P B 1
H11A H 0.659702 0.804723 0.487054 0.116 Uiso 0.515(10) 1 calc R . P B 1
H11B H 0.615056 0.723350 0.498898 0.116 Uiso 0.515(10) 1 calc R . P B 1
H11C H 0.698278 0.776777 0.525316 0.116 Uiso 0.515(10) 1 calc R . P B 1
C12 C 0.705(2) 0.6657(18) 0.4875(7) 0.099(12) Uani 0.515(10) 1 d D . P B 1
H12A H 0.739276 0.682296 0.514891 0.149 Uiso 0.515(10) 1 calc R . P B 1
H12B H 0.654546 0.629496 0.490197 0.149 Uiso 0.515(10) 1 calc R . P B 1
H12C H 0.723538 0.643075 0.469654 0.149 Uiso 0.515(10) 1 calc R . P B 1
C13 C 0.0891(6) 0.7816(6) 0.2046(3) 0.033(2) Uani 1 1 d . . . . .
C14 C 0.0238(6) 0.7517(7) 0.2107(3) 0.037(2) Uani 1 1 d . . . . .
C15 C -0.0511(7) 0.7493(7) 0.2137(5) 0.058(4) Uani 1 1 d D . . . .
C16 C -0.1045(8) 0.7273(11) 0.1696(6) 0.087(6) Uani 1 1 d . . . . .
H16A H -0.079205 0.760823 0.150643 0.131 Uiso 1 1 calc GR . . . .
H16B H -0.150886 0.730351 0.170787 0.131 Uiso 1 1 calc GR . . . .
H16C H -0.117175 0.676855 0.159778 0.131 Uiso 1 1 calc GR . . . .
C18 C -0.0854(8) 0.6939(10) 0.2451(5) 0.070(4) Uani 1 1 d . . . . .
H18A H -0.090905 0.645552 0.236242 0.104 Uiso 1 1 calc GR . . . .
H18B H -0.135002 0.689857 0.245893 0.104 Uiso 1 1 calc GR . . . .
H18C H -0.051764 0.711897 0.272723 0.104 Uiso 1 1 calc GR . . . .
C19 C 0.2198(6) 0.9799(6) 0.2534(3) 0.037(2) Uani 1 1 d . . . . .
C20 C 0.2003(7) 1.0238(6) 0.2661(4) 0.046(3) Uani 1 1 d . . . . .
C21 C 0.1763(10) 1.0779(7) 0.2815(6) 0.072(5) Uani 1 1 d . . . . .
C22 C 0.0967(10) 1.0357(10) 0.2904(7) 0.094(6) Uani 1 1 d . . . . .
H22A H 0.060188 1.007439 0.264813 0.140 Uiso 1 1 calc GR . . . .
H22B H 0.081881 1.070871 0.300867 0.140 Uiso 1 1 calc GR . . . .
H22C H 0.097876 1.002182 0.311117 0.140 Uiso 1 1 calc GR . . . .
C23 C 0.2361(11) 1.1225(10) 0.3230(8) 0.119(9) Uani 1 1 d . . . . .
H23A H 0.240256 1.088077 0.342469 0.179 Uiso 1 1 calc GR . . . .
H23B H 0.219468 1.154637 0.335303 0.179 Uiso 1 1 calc GR . . . .
H23C H 0.285327 1.152411 0.316863 0.179 Uiso 1 1 calc GR . . . .
C24 C 0.1782(15) 1.1310(12) 0.2490(8) 0.132(8) Uani 1 1 d . U . . .
H24A H 0.230621 1.166369 0.250075 0.198 Uiso 1 1 calc GR . . . .
H24B H 0.150314 1.157402 0.254696 0.198 Uiso 1 1 calc GR . . . .
H24C H 0.154703 1.103293 0.221433 0.198 Uiso 1 1 calc GR . . . .
C25 C 0.4042(6) 1.0137(5) 0.3297(3) 0.033(2) Uani 1 1 d . . . . .
C26 C 0.4443(7) 1.0768(6) 0.3481(3) 0.041(3) Uani 1 1 d . . . . .
C27 C 0.4868(11) 1.1446(7) 0.3785(4) 0.075(5) Uani 1 1 d . . . . .
C28 C 0.4386(17) 1.1397(10) 0.4101(6) 0.136(11) Uani 1 1 d . . . . .
H28A H 0.394006 1.144933 0.396350 0.204 Uiso 1 1 calc GR . . . .
H28B H 0.468740 1.179017 0.432914 0.204 Uiso 1 1 calc GR . . . .
H28C H 0.422610 1.091886 0.420912 0.204 Uiso 1 1 calc GR . . . .
C29 C 0.5001(13) 1.2140(7) 0.3550(5) 0.106(8) Uani 1 1 d . . . . .
H29A H 0.451568 1.209175 0.339322 0.158 Uiso 1 1 calc GR . . . .
H29B H 0.532464 1.217993 0.336027 0.158 Uiso 1 1 calc GR . . . .
H29C H 0.524752 1.258075 0.375085 0.158 Uiso 1 1 calc GR . . . .
C30 C 0.5652(13) 1.1490(11) 0.3993(6) 0.140(11) Uani 1 1 d . . . . .
H30A H 0.557588 1.102847 0.410816 0.209 Uiso 1 1 calc GR . . . .
H30B H 0.591727 1.189838 0.421505 0.209 Uiso 1 1 calc GR . . . .
H30C H 0.595264 1.156958 0.378587 0.209 Uiso 1 1 calc GR . . . .
C31 C 0.3915(6) 1.0110(6) 0.2212(3) 0.033(2) Uani 1 1 d . . . . .
C32 C 0.4043(7) 1.0751(6) 0.2143(4) 0.043(3) Uani 1 1 d . . . . .
C33 C 0.4187(10) 1.1512(7) 0.2061(4) 0.066(4) Uani 1 1 d D . . . .
C34 C 0.406(2) 1.1873(11) 0.2389(8) 0.149(12) Uani 1 1 d . . . . .
C35 C 0.5141(14) 1.2072(12) 0.2295(9) 0.075(6) Uani 0.655(9) 1 d . . P A 1
H35A H 0.545683 1.197651 0.214012 0.113 Uiso 0.655(9) 1 calc R . P A 1
H35B H 0.524912 1.258976 0.229453 0.113 Uiso 0.655(9) 1 calc R . P A 1
H35C H 0.525001 1.196372 0.258025 0.113 Uiso 0.655(9) 1 calc R . P A 1
C106 C 0.0643(15) 0.3843(12) 0.1292(8) 0.072(6) Uani 0.655(9) 1 d . . P A 1
H10D H 0.030112 0.338902 0.110910 0.108 Uiso 0.655(9) 1 calc R . P A 1
H10E H 0.105595 0.377962 0.146779 0.108 Uiso 0.655(9) 1 calc R . P A 1
H10F H 0.036457 0.395758 0.146673 0.108 Uiso 0.655(9) 1 calc R . P A 1
C107 C 0.0325(12) 0.4588(16) 0.0742(7) 0.083(8) Uani 0.655(9) 1 d . . P A 1
H10G H -0.001506 0.413439 0.055766 0.124 Uiso 0.655(9) 1 calc R . P A 1
H10H H 0.004158 0.470745 0.091032 0.124 Uiso 0.655(9) 1 calc R . P A 1
H10I H 0.054534 0.499053 0.057696 0.124 Uiso 0.655(9) 1 calc R . P A 1
C108 C 0.1419(11) 0.4307(11) 0.0747(6) 0.053(5) Uani 0.655(9) 1 d . . P A 1
H10J H 0.108013 0.385424 0.056129 0.080 Uiso 0.655(9) 1 calc R . P A 1
H10K H 0.162287 0.471538 0.058241 0.080 Uiso 0.655(9) 1 calc R . P A 1
H10L H 0.183521 0.424428 0.091987 0.080 Uiso 0.655(9) 1 calc R . P A 1
C36 C 0.4652(16) 1.1781(12) 0.1727(8) 0.075(7) Uani 0.655(9) 1 d D U P A 1
H36A H 0.459202 1.135579 0.155688 0.113 Uiso 0.655(9) 1 calc R . P A 1
H36B H 0.447247 1.207884 0.155213 0.113 Uiso 0.655(9) 1 calc R . P A 1
H35D H 0.518638 1.207833 0.186272 0.113 Uiso 0.655(9) 1 calc R . P A 1
C37 C 0.1748(6) 0.7371(6) 0.1382(3) 0.032(2) Uani 1 1 d . . . . .
C38 C 0.1259(6) 0.7155(6) 0.1063(3) 0.040(3) Uani 1 1 d . . . . .
C39 C 0.0581(7) 0.6945(9) 0.0700(4) 0.065(4) Uani 1 1 d . . . . .
C42 C 0.0760(13) 0.7492(15) 0.0401(7) 0.131(9) Uani 1 1 d . U . . .
H42 H 0.078439 0.794662 0.051751 0.197 Uiso 1 1 calc R . . . .
H40D H 0.124757 0.759469 0.034269 0.197 Uiso 1 1 calc R . . . .
H40E H 0.036583 0.729791 0.014399 0.197 Uiso 1 1 calc R . . . .
C43 C 0.2753(6) 0.6697(6) 0.0690(3) 0.035(2) Uani 1 1 d . . . . .
C44 C 0.2547(6) 0.6570(6) 0.0312(3) 0.034(2) Uani 1 1 d . . . . .
C45 C 0.2289(6) 0.6391(7) -0.0152(3) 0.038(3) Uani 1 1 d . . . . .
C46 C 0.1636(9) 0.5612(8) -0.0267(4) 0.073(5) Uani 1 1 d . . . . .
H46A H 0.180978 0.525662 -0.015999 0.110 Uiso 1 1 calc GR . . . .
H46B H 0.146018 0.551004 -0.056846 0.110 Uiso 1 1 calc GR . . . .
H46C H 0.122083 0.557207 -0.014558 0.110 Uiso 1 1 calc GR . . . .
C47 C 0.2964(10) 0.6484(13) -0.0329(4) 0.095(7) Uani 1 1 d . . . . .
H47A H 0.337554 0.698267 -0.024211 0.143 Uiso 1 1 calc GR . . . .
H47B H 0.280917 0.640325 -0.063216 0.143 Uiso 1 1 calc GR . . . .
H47C H 0.313744 0.612594 -0.022708 0.143 Uiso 1 1 calc GR . . . .
C48 C 0.2022(11) 0.6962(9) -0.0335(4) 0.081(5) Uani 1 1 d . . . . .
H48A H 0.158637 0.691270 -0.023119 0.121 Uiso 1 1 calc GR . . . .
H48B H 0.187872 0.686782 -0.063749 0.121 Uiso 1 1 calc GR . . . .
H48C H 0.243417 0.746035 -0.025047 0.121 Uiso 1 1 calc GR . . . .
C49 C 0.3632(6) 0.5530(6) 0.1171(4) 0.040(3) Uani 1 1 d . . . . .
C50 C 0.3692(8) 0.5223(7) 0.0871(4) 0.048(3) Uani 1 1 d . . . . .
C51 C 0.3746(10) 0.4811(10) 0.0502(4) 0.072(4) Uani 1 1 d . . . . .
C52 C 0.4133(14) 0.4344(12) 0.0651(7) 0.118(7) Uani 1 1 d . U . . .
H52A H 0.464541 0.465992 0.081325 0.177 Uiso 1 1 calc GR . . . .
H52B H 0.415712 0.407765 0.041219 0.177 Uiso 1 1 calc GR . . . .
H52C H 0.384665 0.399057 0.082387 0.177 Uiso 1 1 calc GR . . . .
C54 C 0.4268(17) 0.5386(15) 0.0254(7) 0.144(11) Uani 1 1 d . . . . .
H54A H 0.476391 0.568923 0.043814 0.217 Uiso 1 1 calc GR . . . .
H54B H 0.404005 0.570113 0.014513 0.217 Uiso 1 1 calc GR . . . .
H54C H 0.432634 0.512865 0.002461 0.217 Uiso 1 1 calc GR . . . .
C55 C 0.4870(7) 0.7611(6) 0.1067(3) 0.039(3) Uani 1 1 d . . . . .
C56 C 0.5364(7) 0.7978(7) 0.0867(3) 0.041(3) Uani 1 1 d . . . . .
C57 C 0.5720(7) 0.8191(8) 0.0503(4) 0.052(3) Uani 1 1 d . . . . .
C58 C 0.6223(8) 0.7803(10) 0.0494(5) 0.072(4) Uani 1 1 d . . . . .
H58A H 0.660415 0.794601 0.075577 0.108 Uiso 1 1 calc GR . . . .
H58B H 0.647281 0.794891 0.026453 0.108 Uiso 1 1 calc GR . . . .
H58C H 0.590821 0.726917 0.045783 0.108 Uiso 1 1 calc GR . . . .
C59 C 0.5073(8) 0.7911(10) 0.0098(4) 0.073(5) Uani 1 1 d . . . . .
H59A H 0.476912 0.737810 0.008274 0.109 Uiso 1 1 calc GR . . . .
H59B H 0.529401 0.802917 -0.014379 0.109 Uiso 1 1 calc GR . . . .
H59C H 0.475130 0.815259 0.010185 0.109 Uiso 1 1 calc GR . . . .
C60 C 0.6196(9) 0.9043(7) 0.0522(4) 0.063(4) Uani 1 1 d . . . . .
H60A H 0.586686 0.927778 0.051815 0.094 Uiso 1 1 calc GR . . . .
H60B H 0.642362 0.915800 0.028255 0.094 Uiso 1 1 calc GR . . . .
H60C H 0.659465 0.922598 0.077700 0.094 Uiso 1 1 calc GR . . . .
C61 C 0.5569(6) 1.0460(6) 0.1696(4) 0.039(3) Uani 1 1 d . . . . .
C62 C 0.6055(7) 1.0815(6) 0.1496(4) 0.044(3) Uani 1 1 d . . . . .
C63 C 0.6499(8) 1.1385(7) 0.1233(4) 0.056(3) Uani 1 1 d . . . . .
C64 C 0.7339(9) 1.1728(10) 0.1437(6) 0.094(6) Uani 1 1 d . . . . .
H64A H 0.742894 1.196005 0.171551 0.142 Uiso 1 1 calc GR . . . .
H64B H 0.762163 1.209981 0.127121 0.142 Uiso 1 1 calc GR . . . .
H64C H 0.750700 1.134583 0.145585 0.142 Uiso 1 1 calc GR . . . .
C65 C 0.6411(13) 1.1023(11) 0.0815(6) 0.120(8) Uani 1 1 d . U . . .
H65A H 0.646781 1.057351 0.084875 0.180 Uiso 1 1 calc GR . . . .
H65B H 0.679736 1.136104 0.068089 0.180 Uiso 1 1 calc GR . . . .
H65C H 0.590885 1.089849 0.064292 0.180 Uiso 1 1 calc GR . . . .
C66 C 0.6275(12) 1.2001(10) 0.1218(7) 0.102(6) Uani 1 1 d . U . . .
H66A H 0.574638 1.181048 0.106751 0.152 Uiso 1 1 calc GR . . . .
H66B H 0.659724 1.239187 0.107517 0.152 Uiso 1 1 calc GR . . . .
H66C H 0.633557 1.219887 0.149975 0.152 Uiso 1 1 calc GR . . . .
C67 C 0.5817(8) 1.1011(6) 0.2827(4) 0.051(3) Uani 1 1 d . . . . .
C68 C 0.6467(8) 1.1550(8) 0.2925(5) 0.064(4) Uani 1 1 d . . . . .
C69 C 0.7181(10) 1.2281(8) 0.3005(7) 0.085(6) Uani 1 1 d . . . . .
C70 C 0.7617(11) 1.2405(11) 0.3460(7) 0.122(9) Uani 1 1 d . . . . .
H70A H 0.725992 1.225724 0.363969 0.183 Uiso 1 1 calc GR . . . .
H70B H 0.797549 1.292680 0.353414 0.183 Uiso 1 1 calc GR . . . .
H70C H 0.789122 1.211079 0.349488 0.183 Uiso 1 1 calc GR . . . .
C71 C 0.7673(11) 1.2276(11) 0.2700(7) 0.111(7) Uani 1 1 d . . . . .
H71A H 0.782967 1.189008 0.275609 0.167 Uiso 1 1 calc GR . . . .
H71B H 0.812079 1.275450 0.273910 0.167 Uiso 1 1 calc GR . . . .
H71C H 0.737617 1.218123 0.241496 0.167 Uiso 1 1 calc GR . . . .
C72 C 0.6944(13) 1.2907(9) 0.2913(8) 0.118(7) Uani 1 1 d . U . . .
H72A H 0.668542 1.283507 0.262105 0.177 Uiso 1 1 calc GR . . . .
H72B H 0.739540 1.338495 0.297302 0.177 Uiso 1 1 calc GR . . . .
H72C H 0.660457 1.289295 0.308723 0.177 Uiso 1 1 calc GR . . . .
C73 C 0.7336(7) 1.0252(7) 0.3336(3) 0.045(3) Uani 1 1 d . . . . .
C74 C 0.8033(7) 1.0527(7) 0.3357(4) 0.051(3) Uani 1 1 d . . . . .
C75 C 0.8904(7) 1.0920(9) 0.3510(5) 0.068(4) Uani 1 1 d . . . . .
C76 C 0.913(2) 1.130(2) 0.3947(11) 0.097(9) Uani 0.515(10) 1 d . U P B 1
H76A H 0.872501 1.141332 0.399427 0.146 Uiso 0.515(10) 1 calc R . P B 1
H76B H 0.920430 1.098083 0.414792 0.146 Uiso 0.515(10) 1 calc R . P B 1
H76C H 0.959600 1.176160 0.397983 0.146 Uiso 0.515(10) 1 calc R . P B 1
C77 C 0.9266(11) 1.0625(13) 0.3264(8) 0.116(7) Uani 1 1 d . U . . .
H77A H 0.910583 1.010505 0.329913 0.173 Uiso 1 1 calc GR . . . .
H77B H 0.981633 1.090079 0.335925 0.173 Uiso 1 1 calc GR . . . .
H77C H 0.911610 1.067592 0.297094 0.173 Uiso 1 1 calc GR . . . .
C78 C 0.9171(13) 1.1714(14) 0.3388(9) 0.146(9) Uani 1 1 d . U . . .
H78A H 0.896365 1.196917 0.353376 0.219 Uiso 1 1 calc R . . . .
H78B H 0.972343 1.197841 0.346422 0.219 Uiso 1 1 calc R . . . .
H78C H 0.899371 1.169448 0.308873 0.219 Uiso 1 1 calc R . . . .
C79 C 0.6021(6) 0.8695(6) 0.3926(3) 0.038(3) Uani 1 1 d . . . . .
C80 C 0.6560(8) 0.9209(13) 0.4145(5) 0.093(7) Uani 1 1 d . . . . .
C81 C 0.7154(10) 0.9828(14) 0.4522(6) 0.129(9) Uani 1 1 d D U . . .
C84 C 0.7225(17) 1.0590(14) 0.4399(9) 0.166(11) Uani 1 1 d D U . . .
H84A H 0.672364 1.056966 0.433107 0.249 Uiso 1 1 calc GR . . . .
H84B H 0.744847 1.070833 0.415825 0.249 Uiso 1 1 calc GR . . . .
H84C H 0.754847 1.097067 0.463143 0.249 Uiso 1 1 calc GR . . . .
C85 C 0.4271(6) 0.6491(6) 0.4048(3) 0.034(2) Uani 1 1 d . . . . .
C86 C 0.4310(8) 0.6369(8) 0.4407(4) 0.052(3) Uani 1 1 d . . . . .
C87 C 0.4155(13) 0.6069(11) 0.4832(5) 0.042(5) Uani 0.63(2) 1 d . . P C 1
C88 C 0.4362(12) 0.6692(10) 0.5136(5) 0.087(5) Uani 1 1 d . U . . .
H88A H 0.471264 0.720145 0.525053 0.131 Uiso 1 1 calc GR . . C .
H88B H 0.426874 0.638161 0.536140 0.131 Uiso 1 1 calc GR . . C .
H88C H 0.388458 0.666742 0.498137 0.131 Uiso 1 1 calc GR . . C .
C89 C 0.4666(9) 0.5668(7) 0.4948(4) 0.058(4) Uani 1 1 d . . . . .
H89A H 0.518589 0.600220 0.493716 0.087 Uiso 1 1 calc GR . . C .
H89B H 0.447354 0.522895 0.475121 0.087 Uiso 1 1 calc GR . . C .
H89C H 0.465522 0.552443 0.522818 0.087 Uiso 1 1 calc GR . . C .
C90 C 0.3297(12) 0.5527(11) 0.4814(6) 0.050(6) Uani 0.63(2) 1 d . U P C 1
H90A H 0.297462 0.571970 0.465318 0.075 Uiso 0.63(2) 1 calc GR . P C 1
H90B H 0.321683 0.548567 0.509584 0.075 Uiso 0.63(2) 1 calc GR . P C 1
H90C H 0.316854 0.504109 0.468324 0.075 Uiso 0.63(2) 1 calc GR . P C 1
C91 C 0.2276(7) 0.9193(6) 0.1428(3) 0.040(3) Uani 1 1 d . . . . .
C92 C 0.1815(9) 0.9441(8) 0.1370(5) 0.061(4) Uani 1 1 d . . . . .
C93 C 0.1265(12) 0.9753(12) 0.1220(6) 0.093(6) Uani 1 1 d . U . . .
C94 C 0.0682(17) 0.9552(19) 0.1438(11) 0.084(7) Uani 0.60(3) 1 d . U P D 1
H94A H 0.031346 0.971492 0.130355 0.127 Uiso 0.60(3) 1 calc GR . P D 1
H94B H 0.090063 0.978584 0.172418 0.127 Uiso 0.60(3) 1 calc GR . P D 1
H94C H 0.043110 0.901675 0.143718 0.127 Uiso 0.60(3) 1 calc GR . P D 1
C95 C 0.1716(19) 1.0642(17) 0.1399(10) 0.177(12) Uani 1 1 d . U . . .
H95A H 0.215598 1.088845 0.127899 0.266 Uiso 1 1 calc R . . . .
H95B H 0.137546 1.086363 0.132122 0.266 Uiso 1 1 calc R . . . .
H95C H 0.188281 1.069580 0.170055 0.266 Uiso 1 1 calc R . . . .
C96 C 0.1193(11) 0.9814(13) 0.0765(6) 0.107(7) Uani 1 1 d . . . . .
H96A H 0.168496 0.996267 0.070008 0.161 Uiso 1 1 calc R . . . .
H96B H 0.082794 0.933731 0.060942 0.161 Uiso 1 1 calc R . . . .
H96C H 0.101859 1.018274 0.068902 0.161 Uiso 1 1 calc R . . . .
C97 C 0.3756(6) 0.8464(6) 0.1267(3) 0.032(2) Uani 1 1 d . . . . .
C98 C 0.3724(7) 0.8978(6) 0.1060(3) 0.039(3) Uani 1 1 d . . . . .
C99 C 0.3683(8) 0.9381(7) 0.0682(4) 0.050(3) Uani 1 1 d . . . . .
C100 C 0.2878(8) 0.8958(8) 0.0399(4) 0.063(4) Uani 1 1 d . . . . .
H10M H 0.275612 0.843985 0.034440 0.095 Uiso 1 1 calc GR . . . .
H10N H 0.285771 0.917250 0.013699 0.095 Uiso 1 1 calc GR . . . .
H10O H 0.251069 0.899392 0.053682 0.095 Uiso 1 1 calc GR . . . .
C101 C 0.4261(9) 0.9363(9) 0.0450(4) 0.069(4) Uani 1 1 d . . . . .
H10P H 0.474777 0.951620 0.064645 0.104 Uiso 1 1 calc GR . . . .
H10Q H 0.432110 0.969891 0.023657 0.104 Uiso 1 1 calc GR . . . .
H10R H 0.408049 0.886254 0.032089 0.104 Uiso 1 1 calc GR . . . .
C102 C 0.3829(9) 1.0175(7) 0.0803(4) 0.061(4) Uani 1 1 d . . . . .
H10S H 0.347195 1.016245 0.096493 0.091 Uiso 1 1 calc GR . . . .
H10T H 0.376258 1.040898 0.055255 0.091 Uiso 1 1 calc GR . . . .
H10U H 0.434615 1.045636 0.096953 0.091 Uiso 1 1 calc GR . . . .
C103 C 0.2112(5) 0.5711(5) 0.1513(3) 0.027(2) Uani 1 1 d . . . . .
C104 C 0.1488(6) 0.5166(6) 0.1312(3) 0.033(2) Uani 1 1 d . . . . .
C105 C 0.0968(6) 0.4478(7) 0.1031(4) 0.047(3) Uani 1 1 d . . . . .
C109 C 0.1634(6) 0.4156(5) 0.2521(4) 0.036(2) Uani 1 1 d . . . . .
C110 C 0.1020(7) 0.3585(6) 0.2406(4) 0.041(3) Uani 1 1 d . . . . .
C111 C 0.0447(7) 0.2759(6) 0.2298(4) 0.051(3) Uani 1 1 d . . . . .
C112 C -0.0359(9) 0.2652(8) 0.2166(7) 0.096(6) Uani 1 1 d . U . . .
H11D H -0.048688 0.284083 0.239543 0.144 Uiso 1 1 calc GR . . . .
H11E H -0.070533 0.212760 0.209118 0.144 Uiso 1 1 calc GR . . . .
H11F H -0.040547 0.291929 0.192728 0.144 Uiso 1 1 calc GR . . . .
C113 C 0.0570(8) 0.2381(7) 0.2683(5) 0.071(4) Uani 1 1 d . . . . .
H11G H 0.110339 0.249574 0.276898 0.106 Uiso 1 1 calc GR . . . .
H11H H 0.026109 0.184768 0.261810 0.106 Uiso 1 1 calc GR . . . .
H11I H 0.042234 0.255682 0.290790 0.106 Uiso 1 1 calc GR . . . .
C114 C 0.0658(11) 0.2407(8) 0.1961(6) 0.090(6) Uani 1 1 d . . . . .
H11J H 0.053994 0.258173 0.169491 0.136 Uiso 1 1 calc GR . . . .
H11K H 0.036908 0.187115 0.193661 0.136 Uiso 1 1 calc GR . . . .
H11L H 0.119920 0.254793 0.203815 0.136 Uiso 1 1 calc GR . . . .
C115 C 0.4190(6) 0.5025(6) 0.3491(4) 0.039(3) Uani 1 1 d . . . . .
C116 C 0.3752(6) 0.4436(5) 0.3591(3) 0.035(2) Uani 1 1 d . . . . .
C117 C 0.3313(7) 0.3657(6) 0.3711(4) 0.044(3) Uani 1 1 d . . . . .
C118 C 0.2530(8) 0.3266(6) 0.3411(4) 0.051(3) Uani 1 1 d . . . . .
H11M H 0.223785 0.352937 0.344119 0.076 Uiso 1 1 calc GR . . . .
H11N H 0.226441 0.276039 0.347446 0.076 Uiso 1 1 calc GR . . . .
H11O H 0.259099 0.326128 0.312607 0.076 Uiso 1 1 calc GR . . . .
C119 C 0.3780(9) 0.3226(7) 0.3702(5) 0.064(4) Uani 1 1 d . . . . .
H11P H 0.350309 0.272970 0.377603 0.096 Uiso 1 1 calc GR . . . .
H11Q H 0.426782 0.348352 0.390179 0.096 Uiso 1 1 calc GR . . . .
H11R H 0.386377 0.319571 0.342434 0.096 Uiso 1 1 calc GR . . . .
C120 C 0.3218(9) 0.3744(7) 0.4161(4) 0.061(4) Uani 1 1 d . . . . .
H12E H 0.294301 0.403224 0.416865 0.092 Uiso 1 1 calc GR . . . .
H12F H 0.371729 0.399704 0.435046 0.092 Uiso 1 1 calc GR . . . .
H12G H 0.293611 0.325740 0.424510 0.092 Uiso 1 1 calc GR . . . .
C121 C 0.5630(6) 0.5712(6) 0.2856(4) 0.035(2) Uani 1 1 d . . . . .
C122 C 0.5824(8) 0.5271(8) 0.2994(7) 0.083(6) Uani 1 1 d . . . . .
C123 C 0.6092(15) 0.4743(15) 0.3208(9) 0.132(8) Uani 1 1 d . U . . .
C124 C 0.600(2) 0.473(2) 0.3717(11) 0.221(18) Uani 1 1 d . U . . .
H12H H 0.607640 0.432249 0.383575 0.332 Uiso 1 1 calc GR . . . .
H12I H 0.548876 0.465264 0.372268 0.332 Uiso 1 1 calc GR . . . .
H12J H 0.637177 0.519353 0.387915 0.332 Uiso 1 1 calc GR . . . .
C125 C 0.5539(11) 0.3954(10) 0.3031(10) 0.137(11) Uani 1 1 d . . . . .
H12K H 0.558330 0.386491 0.275013 0.206 Uiso 1 1 calc GR . . . .
H12L H 0.502337 0.387191 0.302361 0.206 Uiso 1 1 calc GR . . . .
H12M H 0.565363 0.361713 0.320592 0.206 Uiso 1 1 calc GR . . . .
C126 C 0.6858(13) 0.4946(14) 0.3194(9) 0.145(9) Uani 1 1 d . U . . .
H12N H 0.696553 0.452931 0.325266 0.217 Uiso 1 1 calc GR . . . .
H12O H 0.719937 0.536555 0.340215 0.217 Uiso 1 1 calc GR . . . .
H12P H 0.693205 0.508017 0.291893 0.217 Uiso 1 1 calc GR . . . .
C127 C 0.5203(6) 0.6632(6) 0.1877(3) 0.032(2) Uani 1 1 d . . . . .
C128 C 0.5695(6) 0.6432(6) 0.1856(3) 0.036(2) Uani 1 1 d . . . . .
C129 C 0.6292(7) 0.6257(8) 0.1742(5) 0.054(3) Uani 1 1 d . . . . .
C130 C 0.6032(13) 0.5428(12) 0.1702(8) 0.127(8) Uani 1 1 d . U . . .
H13A H 0.597473 0.524843 0.197172 0.190 Uiso 1 1 calc GR . . . .
H13B H 0.640692 0.532544 0.160944 0.190 Uiso 1 1 calc GR . . . .
H13C H 0.554595 0.518014 0.150064 0.190 Uiso 1 1 calc GR . . . .
C131 C 0.6466(12) 0.6595(15) 0.1349(6) 0.123(9) Uani 1 1 d . . . . .
H13D H 0.600626 0.638444 0.112677 0.185 Uiso 1 1 calc GR . . . .
H13E H 0.685155 0.649009 0.126986 0.185 Uiso 1 1 calc GR . . . .
H13F H 0.665394 0.712769 0.139622 0.185 Uiso 1 1 calc GR . . . .
C132 C 0.7016(9) 0.6606(12) 0.2101(6) 0.100(6) Uani 1 1 d . U . . .
H13G H 0.723063 0.714242 0.212033 0.149 Uiso 1 1 calc GR . . . .
H13H H 0.738682 0.645487 0.204511 0.149 Uiso 1 1 calc GR . . . .
H13I H 0.688473 0.643827 0.236173 0.149 Uiso 1 1 calc GR . . . .
C133 C 0.6369(6) 0.7647(6) 0.2960(3) 0.033(2) Uani 1 1 d . . . . .
C134 C 0.7073(6) 0.7863(6) 0.2997(4) 0.036(2) Uani 1 1 d . . . . .
C135 C 0.7892(6) 0.8062(7) 0.3214(4) 0.046(3) Uani 1 1 d . . . . .
C136 C 0.8087(7) 0.8562(10) 0.3614(5) 0.072(5) Uani 1 1 d . . . . .
H13J H 0.803081 0.900236 0.354475 0.108 Uiso 1 1 calc GR . . . .
H13K H 0.860960 0.870663 0.376132 0.108 Uiso 1 1 calc GR . . . .
H13L H 0.774594 0.829588 0.379094 0.108 Uiso 1 1 calc GR . . . .
C137 C 0.8446(7) 0.8486(10) 0.2939(5) 0.075(5) Uani 1 1 d . . . . .
H13M H 0.838095 0.814800 0.270657 0.112 Uiso 1 1 calc GR . . . .
H13N H 0.896639 0.869329 0.310454 0.112 Uiso 1 1 calc GR . . . .
H13O H 0.834007 0.888372 0.283364 0.112 Uiso 1 1 calc GR . . . .
C138 C 0.7920(9) 0.7326(11) 0.3296(8) 0.118(9) Uani 1 1 d . . . . .
H13P H 0.753442 0.704002 0.344557 0.178 Uiso 1 1 calc GR . . . .
H13Q H 0.841980 0.743003 0.346326 0.178 Uiso 1 1 calc GR . . . .
H13R H 0.782445 0.704519 0.303237 0.178 Uiso 1 1 calc GR . . . .
C139 C 0.3732(6) 0.5292(6) 0.2389(3) 0.031(2) Uani 1 1 d . . . . .
C140 C 0.3469(6) 0.4692(6) 0.2164(3) 0.031(2) Uani 1 1 d . . . . .
C141 C 0.3356(7) 0.3939(6) 0.1994(4) 0.044(3) Uani 1 1 d . . . . .
C142 C 0.2708(9) 0.3606(7) 0.1598(4) 0.065(4) Uani 1 1 d . . . . .
H14A H 0.224211 0.357240 0.165762 0.098 Uiso 1 1 calc GR . . . .
H14B H 0.263172 0.311410 0.150892 0.098 Uiso 1 1 calc GR . . . .
H14C H 0.284058 0.392172 0.137749 0.098 Uiso 1 1 calc GR . . . .
C143 C 0.3174(9) 0.3429(7) 0.2340(5) 0.063(4) Uani 1 1 d . . . . .
H14D H 0.359075 0.364180 0.258648 0.094 Uiso 1 1 calc GR . . . .
H14E H 0.310808 0.294412 0.224456 0.094 Uiso 1 1 calc GR . . . .
H14F H 0.270862 0.337929 0.240815 0.094 Uiso 1 1 calc GR . . . .
C144 C 0.4115(8) 0.4060(7) 0.1885(5) 0.057(3) Uani 1 1 d . . . . .
H14G H 0.419424 0.435284 0.165089 0.085 Uiso 1 1 calc GR . . . .
H14H H 0.408903 0.358315 0.180990 0.085 Uiso 1 1 calc GR . . . .
H14I H 0.453498 0.432079 0.212478 0.085 Uiso 1 1 calc GR . . . .
C145 C 0.2384(6) 0.5156(6) 0.3692(3) 0.036(2) Uani 1 1 d . . . . .
C146 C 0.1767(7) 0.4705(7) 0.3737(4) 0.048(3) Uani 1 1 d . . . . .
C147 C 0.1048(8) 0.4176(8) 0.3866(5) 0.063(4) Uani 1 1 d . . . . .
C148 C 0.0341(9) 0.3953(9) 0.3480(6) 0.082(5) Uani 1 1 d . . . . .
H14J H 0.034005 0.439809 0.337413 0.123 Uiso 1 1 calc GR . . . .
H14K H -0.012777 0.366792 0.356937 0.123 Uiso 1 1 calc GR . . . .
H14L H 0.037831 0.365477 0.326166 0.123 Uiso 1 1 calc GR . . . .
C149 C 0.1099(10) 0.3482(8) 0.4006(7) 0.093(6) Uani 1 1 d . . . . .
H14M H 0.113090 0.320976 0.377274 0.139 Uiso 1 1 calc GR . . . .
H14N H 0.064918 0.316976 0.410519 0.139 Uiso 1 1 calc GR . . . .
H14O H 0.155010 0.362299 0.423027 0.139 Uiso 1 1 calc GR . . . .
C150 C 0.0958(12) 0.4585(10) 0.4219(6) 0.101(7) Uani 1 1 d . . . . .
H15A H 0.136862 0.468648 0.446175 0.152 Uiso 1 1 calc GR . . . .
H15B H 0.047254 0.428277 0.428714 0.152 Uiso 1 1 calc GR . . . .
H15C H 0.097481 0.504976 0.413449 0.152 Uiso 1 1 calc GR . . . .
C151 C 0.3007(6) 0.7207(6) 0.4074(3) 0.032(2) Uani 1 1 d . . . . .
C152 C 0.3452(6) 0.7872(5) 0.4216(3) 0.027(2) Uani 1 1 d . . . . .
C153 C 0.3913(6) 0.8550(6) 0.4515(3) 0.033(2) Uani 1 1 d . U . . .
C154 C 0.3963(10) 0.9251(6) 0.4302(4) 0.067(4) Uani 1 1 d . U . . .
H15D H 0.428093 0.934700 0.410243 0.101 Uiso 1 1 calc GR . . . .
H15E H 0.418411 0.967542 0.451268 0.101 Uiso 1 1 calc GR . . . .
H15F H 0.345609 0.916625 0.415793 0.101 Uiso 1 1 calc GR . . . .
C155 C 0.4735(7) 0.8632(8) 0.4673(4) 0.060(4) Uani 1 1 d . . . . .
H15G H 0.470798 0.819210 0.479889 0.090 Uiso 1 1 calc GR . . . .
H15H H 0.503302 0.906480 0.487823 0.090 Uiso 1 1 calc GR . . . .
H15I H 0.497397 0.869086 0.443871 0.090 Uiso 1 1 calc GR . . . .
C156 C 0.3543(8) 0.8473(7) 0.4888(4) 0.053(3) Uani 1 1 d . . . . .
H15J H 0.302947 0.841583 0.479110 0.080 Uiso 1 1 calc GR . . . .
H15K H 0.384202 0.891308 0.508812 0.080 Uiso 1 1 calc GR . . . .
H15L H 0.352277 0.803986 0.502090 0.080 Uiso 1 1 calc GR . . . .
C157 C 0.1995(6) 0.8306(6) 0.3121(3) 0.033(2) Uani 1 1 d . . . . .
C158 C 0.1668(6) 0.8301(6) 0.3409(3) 0.032(2) Uani 1 1 d . . . . .
C159 C 0.1366(7) 0.8547(8) 0.3738(4) 0.047(3) Uani 1 1 d . . . . .
C160 C 0.1440(11) 0.8174(9) 0.4129(4) 0.074(5) Uani 1 1 d . . . . .
H16D H 0.112138 0.764209 0.406495 0.111 Uiso 1 1 calc GR . . . .
H16E H 0.127764 0.836452 0.434045 0.111 Uiso 1 1 calc GR . . . .
H16F H 0.196704 0.827614 0.423140 0.111 Uiso 1 1 calc GR . . . .
C161 C 0.0533(9) 0.8361(12) 0.3545(6) 0.096(7) Uani 1 1 d . . . . .
H16G H 0.023076 0.782675 0.348206 0.144 Uiso 1 1 calc GR . . . .
H16H H 0.050488 0.859365 0.329006 0.144 Uiso 1 1 calc GR . . . .
H16I H 0.033790 0.854426 0.374177 0.144 Uiso 1 1 calc GR . . . .
C162 C 0.1846(9) 0.9400(7) 0.3832(5) 0.068(4) Uani 1 1 d . . . . .
H16J H 0.160968 0.959492 0.399590 0.101 Uiso 1 1 calc GR . . . .
H16K H 0.187126 0.962020 0.357139 0.101 Uiso 1 1 calc GR . . . .
H16L H 0.235670 0.951824 0.398768 0.101 Uiso 1 1 calc GR . . . .
C163 C 0.8299(6) 0.9648(7) 0.1681(4) 0.044(3) Uani 1 1 d . . . . .
C164 C 0.8390(8) 1.0291(10) 0.1420(5) 0.077(5) Uani 1 1 d . . . . .
H16M H 0.852292 1.073285 0.160198 0.116 Uiso 1 1 calc GR . . . .
H16N H 0.791433 1.016349 0.121840 0.116 Uiso 1 1 calc GR . . . .
H16O H 0.879077 1.038570 0.127413 0.116 Uiso 1 1 calc GR . . . .
C165 C 0.9044(8) 0.9867(11) 0.2009(5) 0.085(6) Uani 1 1 d . . . . .
H16P H 0.946628 1.003887 0.187312 0.127 Uiso 1 1 calc GR . . . .
H16Q H 0.901510 0.943960 0.215076 0.127 Uiso 1 1 calc GR . . . .
H16R H 0.912130 1.026117 0.221146 0.127 Uiso 1 1 calc GR . . . .
C166 C 0.8113(11) 0.8970(10) 0.1381(6) 0.095(6) Uani 1 1 d . . . . .
H16S H 0.762408 0.882175 0.118816 0.142 Uiso 1 1 calc GR . . . .
H16T H 0.809324 0.856235 0.153985 0.142 Uiso 1 1 calc GR . . . .
H16U H 0.850639 0.909820 0.122518 0.142 Uiso 1 1 calc GR . . . .
C167 C -0.1323(6) 0.4652(7) 0.1815(4) 0.044(3) Uani 1 1 d . . . . .
C168 C -0.1509(8) 0.5180(9) 0.1535(5) 0.068(4) Uani 1 1 d . . . . .
H16V H -0.204833 0.494346 0.140148 0.102 Uiso 1 1 calc GR . . . .
H16W H -0.121517 0.529359 0.132210 0.102 Uiso 1 1 calc GR . . . .
H16X H -0.137887 0.563468 0.170268 0.102 Uiso 1 1 calc GR . . . .
C169 C -0.1741(7) 0.4495(10) 0.2176(5) 0.076(5) Uani 1 1 d . . . . .
H16Y H -0.157908 0.495668 0.234699 0.114 Uiso 1 1 calc GR . . . .
H H -0.161941 0.415664 0.234656 0.114 Uiso 1 1 calc GR . . . .
HA H -0.228732 0.427217 0.206125 0.114 Uiso 1 1 calc GR . . . .
C170 C -0.1571(7) 0.3908(7) 0.1547(4) 0.061(4) Uani 1 1 d . . . . .
H17A H -0.209555 0.372204 0.139067 0.091 Uiso 1 1 calc GR . . . .
H17B H -0.152907 0.354590 0.172815 0.091 Uiso 1 1 calc GR . . . .
H17C H -0.124350 0.399136 0.135367 0.091 Uiso 1 1 calc GR . . . .
C171 C 0.4539(12) 0.6489(12) 0.8838(8) 0.117(8) Uani 1 1 d . . . . .
H17D H 0.474948 0.700908 0.895280 0.140 Uiso 1 1 calc R . . . .
H17E H 0.496367 0.639989 0.879907 0.140 Uiso 1 1 calc R . . . .
C173 C 0.1190(16) 0.8239(17) 0.9305(8) 0.139(10) Uani 1 1 d D . . . .
C174 C 0.0728(18) 0.8598(17) 0.9449(12) 0.24(2) Uani 1 1 d D . . . .
C175 C -0.063(3) 0.825(3) 0.9361(16) 0.27(3) Uani 1 1 d D . . . .
C176 C -0.126(2) 0.767(2) 0.955(2) 0.46(7) Uani 1 1 d D . . . .
C17A C -0.027(3) 0.8297(10) 0.2325(16) 0.068(7) Uani 0.71(13) 1 d D U P E 1
C35A C 0.329(3) 1.139(2) 0.1784(16) 0.075(6) Uani 0.345(9) 1 d . . P A 2
H35E H 0.316742 1.112442 0.150947 0.113 Uiso 0.345(9) 1 calc R . P A 2
H35F H 0.290807 1.109730 0.193482 0.113 Uiso 0.345(9) 1 calc R . P A 2
H35G H 0.329849 1.186587 0.175425 0.113 Uiso 0.345(9) 1 calc R . P A 2
C206 C 0.128(3) 0.388(2) 0.1217(14) 0.072(6) Uani 0.345(9) 1 d . . P A 2
H20A H 0.127385 0.385858 0.151059 0.108 Uiso 0.345(9) 1 calc R . P A 2
H20B H 0.095365 0.339495 0.106368 0.108 Uiso 0.345(9) 1 calc R . P A 2
H20C H 0.179785 0.404711 0.118599 0.108 Uiso 0.345(9) 1 calc R . P A 2
C207 C 0.022(2) 0.405(3) 0.1137(14) 0.083(8) Uani 0.345(9) 1 d . . P A 2
H20D H 0.029275 0.407503 0.143836 0.124 Uiso 0.345(9) 1 calc R . P A 2
H20E H -0.011855 0.425609 0.102208 0.124 Uiso 0.345(9) 1 calc R . P A 2
H20F H 0.000353 0.353470 0.102009 0.124 Uiso 0.345(9) 1 calc R . P A 2
C208 C 0.098(2) 0.450(2) 0.0617(12) 0.053(5) Uani 0.345(9) 1 d . . P A 2
H20G H 0.062186 0.402581 0.046114 0.080 Uiso 0.345(9) 1 calc R . P A 2
H20H H 0.084338 0.488276 0.050978 0.080 Uiso 0.345(9) 1 calc R . P A 2
H20I H 0.149082 0.462408 0.058528 0.080 Uiso 0.345(9) 1 calc R . P A 2
C36A C 0.408(3) 1.156(2) 0.1605(16) 0.075(7) Uani 0.345(9) 1 d . . P A 2
H36C H 0.423199 1.122088 0.148136 0.113 Uiso 0.345(9) 1 calc R . P A 2
H35H H 0.355104 1.141493 0.148062 0.113 Uiso 0.345(9) 1 calc R . P A 2
H36D H 0.439630 1.205982 0.155416 0.113 Uiso 0.345(9) 1 calc R . P A 2
C53A C 0.299(3) 0.458(3) 0.0165(16) 0.112(16) Uani 0.55(5) 1 d . . P F 1
H53A H 0.288400 0.500525 0.013517 0.168 Uiso 0.55(5) 1 calc R . P F 1
H53B H 0.304669 0.442667 -0.010078 0.168 Uiso 0.55(5) 1 calc R . P F 1
H53C H 0.257583 0.417803 0.024907 0.168 Uiso 0.55(5) 1 calc R . P F 1
C82A C 0.6773(16) 0.9808(19) 0.4886(7) 0.052(11) Uani 0.42(4) 1 d D U P G 1
H82A H 0.635254 0.992573 0.479415 0.079 Uiso 0.42(4) 1 calc R . P G 1
H82B H 0.658379 0.931634 0.497795 0.079 Uiso 0.42(4) 1 calc R . P G 1
H82C H 0.714432 1.017014 0.511671 0.079 Uiso 0.42(4) 1 calc R . P G 1
C83A C 0.784(3) 0.965(5) 0.463(3) 0.146(15) Uani 0.42(4) 1 d D U P G 1
H83A H 0.804203 0.967412 0.438015 0.220 Uiso 0.42(4) 1 calc R . P G 1
H83B H 0.823206 1.000802 0.485060 0.220 Uiso 0.42(4) 1 calc R . P G 1
H83C H 0.767153 0.915422 0.471184 0.220 Uiso 0.42(4) 1 calc R . P G 1
C87A C 0.4679(16) 0.6441(16) 0.4868(10) 0.038(8) Uani 0.37(2) 1 d D U P C 2
C90A C 0.5483(17) 0.7089(16) 0.5046(10) 0.050(9) Uani 0.37(2) 1 d D U P C 2
C94A C 0.034(3) 0.896(3) 0.1183(16) 0.084(7) Uani 0.40(3) 1 d . U P D 2
C8B C 0.6600(14) 0.6665(15) 0.4134(7) 0.043(6) Uani 0.485(10) 1 d . . P B 1
C9B C 0.7231(13) 0.6604(14) 0.4452(7) 0.059(5) Uani 0.485(10) 1 d D . P B 1
C10B C 0.758(2) 0.722(2) 0.4824(9) 0.109(12) Uani 0.485(10) 1 d D . P B 1
H10V H 0.798218 0.716266 0.501854 0.164 Uiso 0.485(10) 1 calc R . P B 1
H9A H 0.779956 0.770264 0.472184 0.164 Uiso 0.485(10) 1 calc R . P B 1
H9B H 0.719168 0.718368 0.496444 0.164 Uiso 0.485(10) 1 calc R . P B 1
C11B C 0.7864(17) 0.655(2) 0.4280(9) 0.077(7) Uani 0.485(10) 1 d D . P B 1
H11S H 0.823268 0.651458 0.450832 0.116 Uiso 0.485(10) 1 calc R . P B 1
H11T H 0.764204 0.611464 0.407807 0.116 Uiso 0.485(10) 1 calc R . P B 1
H11U H 0.811579 0.699149 0.414658 0.116 Uiso 0.485(10) 1 calc R . P B 1
C12B C 0.6845(19) 0.597(2) 0.4709(12) 0.099(12) Uani 0.485(10) 1 d D . P B 1
H12Q H 0.723165 0.591245 0.491535 0.149 Uiso 0.485(10) 1 calc R . P B 1
H12D H 0.652165 0.608012 0.484949 0.149 Uiso 0.485(10) 1 calc R . P B 1
H12R H 0.653695 0.550806 0.452433 0.149 Uiso 0.485(10) 1 calc R . P B 1
C17B C -0.049(6) 0.826(3) 0.220(4) 0.068(7) Uani 0.29(13) 1 d D U P E 2
C53B C 0.294(4) 0.410(4) 0.032(2) 0.112(16) Uani 0.45(5) 1 d . . P F 2
H53D H 0.256534 0.426236 0.019870 0.168 Uiso 0.45(5) 1 calc R . P F 2
H53E H 0.299293 0.380149 0.010902 0.168 Uiso 0.45(5) 1 calc R . P F 2
H53F H 0.277898 0.380654 0.054591 0.168 Uiso 0.45(5) 1 calc R . P F 2
C76B C 0.914(2) 1.068(3) 0.3958(12) 0.097(9) Uani 0.485(10) 1 d . . P B 1
C82B C 0.698(3) 0.933(3) 0.4880(13) 0.15(2) Uani 0.58(4) 1 d D U P G 2
H82D H 0.648423 0.923885 0.492724 0.231 Uiso 0.58(4) 1 calc R . P G 2
H82E H 0.696747 0.886110 0.480447 0.231 Uiso 0.58(4) 1 calc R . P G 2
H82F H 0.736789 0.957875 0.513401 0.231 Uiso 0.58(4) 1 calc R . P G 2
C83B C 0.794(2) 0.986(4) 0.453(2) 0.146(15) Uani 0.58(4) 1 d D . P G 2
H83D H 0.792518 0.938839 0.460941 0.220 Uiso 0.58(4) 1 calc R . P G 2
H83E H 0.805070 0.993779 0.426034 0.220 Uiso 0.58(4) 1 calc R . P G 2
H83F H 0.832888 1.025752 0.473866 0.220 Uiso 0.58(4) 1 calc R . P G 2
Cl1 Cl 0.3935(4) 0.6342(3) 0.8373(3) 0.169(4) Uani 1 1 d . . . . .
Cl2 Cl 0.4094(6) 0.5913(5) 0.9194(3) 0.191(4) Uani 1 1 d . . . . .
Cl3 Cl 0.1597(13) 0.2176(13) 0.9442(5) 0.400(14) Uani 1 1 d D . . . .
Cl4 Cl 0.0965(7) 0.0576(7) 0.9684(3) 0.219(5) Uani 1 1 d D . . . .
Cu47 Cu 0.52573(14) 1.04935(9) 0.22289(6) 0.0614(6) Uani 0.882(3) 1 d . . P H 1
Cu2 Cu 0.47581(10) 1.04521(8) 0.28873(6) 0.0363(4) Uani 0.882(3) 1 d . . P H 1
Cu3 Cu 0.65164(9) 1.05265(8) 0.30563(5) 0.0518(4) Uani 1 1 d . . . . .
Cu4 Cu 0.63108(13) 1.00090(13) 0.17596(8) 0.0377(5) Uani 0.882(3) 1 d . . P H 1
Cu1 Cu 0.38766(6) 0.77362(6) 0.27057(3) 0.0171(2) Uani 1 1 d . . . . .
Cu5 Cu 0.53786(6) 0.75029(6) 0.29553(4) 0.0245(2) Uani 1 1 d . . . . .
Cu6 Cu 0.25971(6) 0.81383(6) 0.28038(4) 0.0244(2) Uani 1 1 d . . . . .
Cu7 Cu 0.42622(7) 0.68660(6) 0.35177(4) 0.0261(3) Uani 1 1 d . . . . .
Cu8 Cu 0.24150(6) 0.75736(6) 0.19282(4) 0.0251(2) Uani 1 1 d . . . . .
Cu9 Cu 0.40112(7) 0.91845(6) 0.32288(4) 0.0272(3) Uani 1 1 d . . . . .
Cu10 Cu 0.37971(7) 0.79622(6) 0.17543(4) 0.0261(2) Uani 1 1 d . . . . .
Cu11 Cu 0.36717(7) 0.91139(6) 0.23214(4) 0.0278(3) Uani 1 1 d . . . . .
Cu12 Cu 0.12165(7) 0.57319(7) 0.17096(4) 0.0293(3) Uani 1 1 d . . . . .
Cu13 Cu 0.06695(7) 0.67680(7) 0.21893(4) 0.0294(3) Uani 1 1 d . . . . .
Cu14 Cu 0.29508(7) 0.60501(7) 0.11472(4) 0.0293(3) Uani 1 1 d . . . . .
Cu15 Cu 0.16827(7) 0.72477(7) 0.33195(4) 0.0282(3) Uani 1 1 d . . . . .
Cu16 Cu 0.39650(7) 0.62408(6) 0.26394(4) 0.0268(3) Uani 1 1 d . . . . .
Cu17 Cu 0.38049(7) 0.74738(7) 0.10461(4) 0.0313(3) Uani 1 1 d . . . . .
Cu18 Cu 0.50474(7) 0.84046(7) 0.35509(4) 0.0297(3) Uani 1 1 d . . . . .
Cu19 Cu 0.44576(7) 0.66432(7) 0.12908(4) 0.0333(3) Uani 1 1 d . . . . .
Cu20 Cu 0.16156(7) 0.82737(7) 0.16993(4) 0.0340(3) Uani 1 1 d . . . . .
Cu21 Cu 0.26228(7) 0.49382(7) 0.24449(4) 0.0336(3) Uani 1 1 d . . . . .
Cu22 Cu 0.49497(7) 0.60750(7) 0.37438(4) 0.0331(3) Uani 1 1 d . . . . .
Cu23 Cu 0.18795(7) 0.66126(7) 0.39647(4) 0.0324(3) Uani 1 1 d . . . . .
Cu24 Cu 0.57904(7) 0.83865(8) 0.14954(4) 0.0354(3) Uani 1 1 d . . . . .
Cu25 Cu 0.17214(7) 0.86612(7) 0.24845(4) 0.0327(3) Uani 1 1 d . . . . .
Cu26 Cu 0.34246(8) 0.53768(7) 0.36267(4) 0.0347(3) Uani 1 1 d . . . . .
Cu27 Cu 0.08066(7) 0.44764(7) 0.24588(4) 0.0350(3) Uani 1 1 d . . . . .
Cu28 Cu 0.29496(8) 0.62619(7) 0.38661(4) 0.0346(3) Uani 1 1 d . . . . .
Cu29 Cu 0.59279(7) 0.66501(7) 0.32751(4) 0.0339(3) Uani 1 1 d . . . . .
Cu30 Cu 0.45606(7) 0.54307(7) 0.29807(4) 0.0348(3) Uani 1 1 d . . . . .
Cu31 Cu 0.28972(8) 0.86723(8) 0.14444(4) 0.0370(3) Uani 1 1 d . . . . .
Cu32 Cu 0.64617(7) 0.93868(7) 0.34793(4) 0.0361(3) Uani 1 1 d . . . . .
Cu33 Cu 0.38200(8) 0.56865(7) 0.17961(4) 0.0366(3) Uani 1 1 d . . . . .
Cu34 Cu 0.05134(7) 0.58629(7) 0.29443(4) 0.0343(3) Uani 1 1 d . . . . .
Cu35 Cu 0.46345(8) 0.94391(7) 0.16365(4) 0.0385(3) Uani 1 1 d . . . . .
Cu36 Cu 0.26708(8) 0.96346(7) 0.20732(4) 0.0365(3) Uani 1 1 d . . . . .
Cu37 Cu 0.66338(7) 0.81891(8) 0.24608(4) 0.0369(3) Uani 1 1 d . . . . .
Cu38 Cu 0.24249(8) 0.69968(8) 0.11760(4) 0.0395(3) Uani 1 1 d . . . . .
Cu39 Cu 0.19918(8) 0.47342(8) 0.30841(4) 0.0428(3) Uani 1 1 d . . . . .
Cu40 Cu 0.58532(8) 0.76524(8) 0.38320(4) 0.0434(3) Uani 1 1 d . . . . .
Cu41 Cu 0.53759(9) 0.63511(8) 0.24744(5) 0.0432(3) Uani 1 1 d . . . . .
Cu42 Cu 0.46705(6) 0.71194(6) 0.20597(4) 0.0252(2) Uani 1 1 d . . . . .
Cu43 Cu 0.74417(8) 1.01167(9) 0.27567(5) 0.0507(4) Uani 1 1 d . . . . .
Cu44 Cu 0.30181(9) 0.95997(9) 0.29067(5) 0.0525(4) Uani 1 1 d . . . . .
Cu45 Cu 0.34197(6) 0.76845(6) 0.35831(3) 0.0226(2) Uani 1 1 d . . . . .
Cu46 Cu 0.29650(6) 0.64691(6) 0.18861(3) 0.0221(2) Uani 1 1 d . . . . .
CU97 Cu 0.4778(11) 1.0093(7) 0.1995(5) 0.0614(6) Uani 0.118(3) 1 d . . P H 2
Cu2A Cu 0.5180(12) 1.0617(8) 0.3179(7) 0.083(6) Uani 0.118(3) 1 d . . P H 2
Cu4A Cu 0.6438(11) 1.0322(11) 0.1890(6) 0.049(5) Uani 0.118(3) 1 d . . P H 2
F1 F 0.1890(9) 0.6166(9) 0.5748(5) 0.156(6) Uani 1 1 d . . . . .
F2 F 0.2751(7) 0.6658(7) 0.5353(4) 0.110(4) Uani 1 1 d . . . . .
F3 F 0.2365(10) 0.5488(7) 0.5526(6) 0.167(7) Uani 1 1 d . . . . .
F4 F 0.3128(11) 0.6403(10) 0.5981(6) 0.212(11) Uani 1 1 d . . . . .
F5 F 0.1193(10) 0.1754(13) 0.4374(6) 0.205(9) Uani 1 1 d . . . . .
F6 F 0.1113(10) 0.0785(7) 0.4033(6) 0.173(7) Uani 1 1 d . . . . .
F7 F 0.2198(7) 0.1841(8) 0.4157(5) 0.134(5) Uani 1 1 d . . . . .
F8 F 0.1141(7) 0.1757(6) 0.3704(5) 0.116(4) Uani 1 1 d . . . . .
F9 F 0.3578(9) 0.2647(7) 0.1074(3) 0.126(5) Uani 1 1 d . . . . .
F10 F 0.2779(9) 0.1531(10) 0.0706(5) 0.184(8) Uani 1 1 d . . . . .
F11 F 0.3977(9) 0.2023(9) 0.0703(4) 0.140(5) Uani 1 1 d . . . . .
F12 F 0.3235(10) 0.2518(8) 0.0368(4) 0.148(6) Uani 1 1 d . . . . .
O1 O 0.4343(3) 0.7155(3) 0.29859(19) 0.0201(13) Uani 1 1 d . . . . .
O2 O 0.4093(3) 0.8304(3) 0.32450(18) 0.0219(13) Uani 1 1 d . . . . .
O3 O 0.3184(3) 0.8099(3) 0.24241(19) 0.0228(13) Uani 1 1 d . . . . .
O4 O 0.3878(4) 0.7317(4) 0.21667(19) 0.0253(14) Uani 1 1 d . . . . .
O5 O 0.2479(3) 0.7029(3) 0.30489(19) 0.0238(14) Uani 1 1 d . . . . .
O6 O 0.1614(3) 0.6576(3) 0.2199(2) 0.0229(13) Uani 1 1 d . . . . .
O7 O 0.1325(4) 0.5541(3) 0.28026(19) 0.0249(14) Uani 1 1 d . . . . .
O8 O 0.2695(3) 0.6026(3) 0.25254(19) 0.0241(14) Uani 1 1 d . . . . .
O9 O 0.4731(4) 0.8986(4) 0.2203(2) 0.0285(15) Uani 1 1 d . . . . .
O10 O 0.6318(4) 0.9790(4) 0.2407(2) 0.0300(15) Uani 1 1 d . . . . .
O11 O 0.5652(4) 0.8259(3) 0.2110(2) 0.0265(14) Uani 1 1 d . . . . .
O12 O 0.5635(4) 0.8740(4) 0.2930(2) 0.0321(16) Uani 1 1 d . . . . .
O13 O 0.6792(4) 0.9380(5) 0.1631(3) 0.050(2) Uani 1 1 d . . . . .
O14 O 0.7835(5) 1.0118(6) 0.2272(3) 0.073(3) Uani 1 1 d . . . . .
O15 O 0.7351(6) 0.8726(7) 0.2127(4) 0.083(4) Uani 1 1 d . . . . .
O16 O -0.0041(4) 0.5767(4) 0.2343(2) 0.0346(16) Uani 1 1 d . . . . .
O17 O 0.0120(4) 0.5297(5) 0.1676(2) 0.047(2) Uani 1 1 d . . . . .
O18 O -0.0173(4) 0.4451(4) 0.2273(3) 0.048(2) Uani 1 1 d . . . . .
O19 O 0.1665(5) 0.6472(6) 0.4570(3) 0.066(3) Uani 1 1 d . . . . .
O20 O -0.0040(14) 0.8039(15) 0.9375(8) 0.196(11) Uani 1 1 d D . . . .
O22 O 0.0604(10) 0.5792(14) 0.5056(5) 0.184(10) Uani 1 1 d . . . . .
P1 P 0.75137(16) 0.94519(17) 0.19398(9) 0.0397(7) Uani 1 1 d . . . . .
P2 P -0.02845(15) 0.50600(16) 0.20378(9) 0.0339(6) Uani 1 1 d . . . . .
V1 V 0.20430(8) 0.62914(8) 0.26498(5) 0.0198(3) Uani 1 1 d . . . . .
V2 V 0.55724(9) 0.89394(9) 0.24176(5) 0.0256(3) Uani 1 1 d . . . . .
C177 C 0.9845(14) 0.0537(16) 0.5444(8) 0.129(8) Uani 1 1 d D U . . .
O21 O 0.996(2) 0.1885(19) 0.5143(11) 0.267(13) Uani 1 1 d D U . . .
C178 C 1.005(3) 0.123(2) 0.5207(14) 0.244(15) Uani 1 1 d D U . . .
C179 C 0.959(5) 0.228(5) 0.493(3) 0.23(2) Uani 0.5 1 d D U P . .
C180 C 0.901(4) 0.258(5) 0.475(3) 0.24(3) Uani 0.5 1 d D U P . .
C172 C 0.1741(13) 0.1477(12) 0.9715(13) 0.20(4) Uani 0.5 1 d D . P . .
C272 C 0.2077(14) 0.0129(18) 0.9869(8) 0.060(8) Uani 0.5 1 d . . P . .
C280 C 0.995(6) 0.299(5) 0.4914(19) 0.24(5) Uani 0.5 1 d . . P . .
C279 C 1.079(8) 0.318(7) 0.515(2) 0.34(8) Uani 0.5 1 d . . 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
C40 C39 1.60(3) . ?
C41 C39 1.47(3) . ?
C40A C39 1.38(5) . ?
C41A C39 1.54(6) . ?
B1 F1 1.45(3) . ?
B1 F2 1.40(3) . ?
B1 F3 1.31(3) . ?
B1 F4 1.21(3) . ?
B2 F5 1.23(3) . ?
B2 F6 1.40(3) . ?
B2 F7 1.37(3) . ?
B2 F8 1.38(3) . ?
B3 F9 1.37(2) . ?
B3 F10 1.32(2) . ?
B3 F11 1.38(3) . ?
B3 F12 1.35(2) . ?
C1 C2 1.230(15) . ?
C1 Cu15 2.007(10) . ?
C1 Cu23 1.975(11) . ?
C1 Cu34 2.024(10) . ?
C2 C3 1.506(15) . ?
C2 Cu34 2.068(11) . ?
C3 C4 1.43(2) . ?
C3 C5 1.51(2) . ?
C3 C6 1.51(2) . ?
C7 C8 1.19(3) . ?
C7 C8B 1.26(3) . ?
C7 Cu22 1.989(12) . ?
C7 Cu29 1.996(12) . ?
C7 Cu40 2.008(12) . ?
C8 C9 1.53(3) . ?
C8 C8B 1.11(3) . ?
C8 Cu40 2.23(3) . ?
C9 C10 1.532(10) . ?
C9 C11 1.532(10) . ?
C9 C12 1.531(10) . ?
C9 C8B 2.00(3) . ?
C13 C14 1.226(15) . ?
C13 Cu13 2.023(10) . ?
C13 Cu20 1.926(11) . ?
C13 Cu25 2.037(11) . ?
C14 C15 1.494(15) . ?
C14 Cu13 2.029(11) . ?
C15 C16 1.53(2) . ?
C15 C18 1.541(18) . ?
C15 C17A 1.540(10) . ?
C15 C17B 1.528(10) . ?
C19 C20 1.206(15) . ?
C19 Cu25 2.031(11) . ?
C19 Cu36 2.024(11) . ?
C19 Cu44 2.019(11) . ?
C20 C21 1.484(17) . ?
C21 C22 1.52(2) . ?
C21 C23 1.56(3) . ?
C21 C24 1.50(3) . ?
C25 C26 1.221(15) . ?
C25 Cu2 2.050(11) . ?
C25 Cu9 1.890(10) . ?
C25 Cu44 1.974(11) . ?
C25 Cu2A 2.15(2) . ?
C26 C27 1.467(16) . ?
C26 Cu2 2.316(12) . ?
C26 Cu2A 2.05(3) . ?
C27 C28 1.52(3) . ?
C27 C29 1.534(19) . ?
C27 C30 1.53(3) . ?
C31 C32 1.226(15) . ?
C31 Cu47 2.420(10) . ?
C31 Cu2 2.358(11) . ?
C31 Cu11 1.887(10) . ?
C31 Cu36 2.166(10) . ?
C31 CU97 2.003(19) . ?
C32 C33 1.458(15) . ?
C32 CU97 2.47(2) . ?
C33 C34 1.41(2) . ?
C33 C35 1.72(3) . ?
C33 C36 1.519(10) . ?
C33 C35A 1.73(5) . ?
C33 C36A 1.47(5) . ?
C106 C105 1.51(3) . ?
C107 C105 1.53(3) . ?
C108 C105 1.55(2) . ?
C37 C38 1.191(14) . ?
C37 Cu8 1.907(10) . ?
C37 Cu20 2.216(11) . ?
C37 Cu38 2.021(11) . ?
C38 C39 1.494(16) . ?
C38 Cu38 2.436(12) . ?
C39 C42 1.45(2) . ?
C43 C44 1.201(14) . ?
C43 Cu14 2.073(11) . ?
C43 Cu17 2.058(10) . ?
C43 Cu38 2.013(10) . ?
C44 C45 1.477(14) . ?
C45 C46 1.500(17) . ?
C45 C47 1.509(18) . ?
C45 C48 1.537(19) . ?
C49 C50 1.204(16) . ?
C49 Cu14 2.037(11) . ?
C49 Cu19 2.072(11) . ?
C49 Cu33 1.989(12) . ?
C50 C51 1.499(18) . ?
C51 C52 1.48(2) . ?
C51 C54 1.53(3) . ?
C51 C53A 1.54(5) . ?
C51 C53B 1.59(6) . ?
C55 C56 1.249(16) . ?
C55 Cu17 2.001(12) . ?
C55 Cu19 1.954(11) . ?
C55 Cu24 2.027(11) . ?
C56 C57 1.475(16) . ?
C56 Cu24 2.054(11) . ?
C57 C58 1.52(2) . ?
C57 C59 1.538(18) . ?
C57 C60 1.532(18) . ?
C61 C62 1.234(15) . ?
C61 Cu47 1.968(11) . ?
C61 Cu4 2.026(12) . ?
C61 Cu35 2.036(11) . ?
C61 CU97 1.890(18) . ?
C61 Cu4A 1.86(3) . ?
C62 C63 1.499(15) . ?
C62 Cu4 2.042(12) . ?
C62 Cu4A 1.87(2) . ?
C63 C64 1.49(2) . ?
C63 C65 1.48(2) . ?
C63 C66 1.49(2) . ?
C67 C68 1.235(18) . ?
C67 Cu47 2.041(14) . ?
C67 Cu2 1.953(13) . ?
C67 Cu3 2.057(13) . ?
C67 Cu2A 1.81(2) . ?
C68 C69 1.49(2) . ?
C68 Cu3 2.139(15) . ?
C69 C70 1.51(3) . ?
C69 C71 1.53(3) . ?
C69 C72 1.54(2) . ?
C73 C74 1.232(17) . ?
C73 Cu3 1.998(14) . ?
C73 Cu32 1.979(11) . ?
C73 Cu43 1.971(11) . ?
C74 C75 1.519(17) . ?
C74 Cu43 2.014(12) . ?
C75 C76 1.49(4) . ?
C75 C77 1.45(2) . ?
C75 C78 1.52(3) . ?
C75 C76B 1.58(4) . ?
C79 C80 1.187(19) . ?
C79 Cu18 1.899(11) . ?
C79 Cu32 2.070(11) . ?
C79 Cu40 1.973(12) . ?
C80 C81 1.59(3) . ?
C80 Cu32 2.182(16) . ?
C81 C84 1.533(7) . ?
C81 C82A 1.526(10) . ?
C81 C83A 1.533(10) . ?
C81 C82B 1.536(10) . ?
C81 C83B 1.530(10) . ?
C85 C86 1.194(16) . ?
C85 Cu7 1.887(10) . ?
C85 Cu22 2.244(11) . ?
C85 Cu26 2.315(10) . ?
C85 Cu28 2.403(11) . ?
C86 C87 1.55(2) . ?
C86 C87A 1.50(3) . ?
C87 C89 1.55(2) . ?
C87 C90 1.55(3) . ?
C88 C87A 1.38(3) . ?
C91 C92 1.207(17) . ?
C91 Cu20 2.061(11) . ?
C91 Cu31 1.935(12) . ?
C91 Cu36 2.118(11) . ?
C92 C93 1.49(2) . ?
C92 Cu20 2.481(13) . ?
C92 Cu36 2.469(15) . ?
C93 C94 1.39(3) . ?
C93 C95 1.63(3) . ?
C93 C96 1.47(3) . ?
C93 C94A 1.80(5) . ?
C97 C98 1.253(15) . ?
C97 Cu10 1.892(10) . ?
C97 Cu17 2.152(11) . ?
C97 Cu31 2.114(10) . ?
C97 Cu35 2.094(11) . ?
C98 C99 1.486(15) . ?
C98 Cu31 2.149(11) . ?
C98 Cu35 2.180(12) . ?
C99 C100 1.521(18) . ?
C99 C101 1.51(2) . ?
C99 C102 1.517(17) . ?
C103 C104 1.270(14) . ?
C103 Cu12 2.031(9) . ?
C103 Cu14 2.120(9) . ?
C103 Cu46 1.871(10) . ?
C104 C105 1.461(15) . ?
C104 Cu12 2.013(10) . ?
C105 C206 1.64(5) . ?
C105 C207 1.47(5) . ?
C105 C208 1.36(4) . ?
C109 C110 1.228(15) . ?
C109 Cu21 1.965(11) . ?
C109 Cu27 1.993(11) . ?
C109 Cu39 1.977(11) . ?
C110 C111 1.518(14) . ?
C110 Cu27 2.024(12) . ?
C111 C112 1.49(2) . ?
C111 C113 1.50(2) . ?
C111 C114 1.52(2) . ?
C115 C116 1.212(15) . ?
C115 Cu22 2.006(11) . ?
C115 Cu26 2.059(12) . ?
C115 Cu30 1.989(12) . ?
C116 C117 1.513(14) . ?
C116 Cu26 2.260(10) . ?
C117 C118 1.508(17) . ?
C117 C119 1.527(18) . ?
C117 C120 1.533(17) . ?
C121 C122 1.170(17) . ?
C121 Cu29 2.091(11) . ?
C121 Cu30 2.076(10) . ?
C121 Cu41 1.945(11) . ?
C122 C123 1.50(3) . ?
C123 C124 1.71(4) . ?
C123 C125 1.49(3) . ?
C123 C126 1.40(3) . ?
C127 C128 1.225(15) . ?
C127 Cu19 2.173(10) . ?
C127 Cu33 2.511(10) . ?
C127 Cu41 2.033(10) . ?
C127 Cu42 1.898(11) . ?
C128 C129 1.491(14) . ?
C128 Cu41 2.220(11) . ?
C129 C130 1.50(2) . ?
C129 C131 1.48(2) . ?
C129 C132 1.53(2) . ?
C133 C134 1.250(14) . ?
C133 Cu5 1.859(10) . ?
C133 Cu29 2.158(10) . ?
C133 Cu37 1.991(10) . ?
C134 C135 1.505(14) . ?
C134 Cu37 2.036(10) . ?
C135 C136 1.510(19) . ?
C135 C137 1.524(17) . ?
C135 C138 1.52(2) . ?
C139 C140 1.235(14) . ?
C139 Cu16 1.877(10) . ?
C139 Cu21 2.048(10) . ?
C139 Cu30 2.189(10) . ?
C139 Cu33 2.105(10) . ?
C140 C141 1.505(14) . ?
C140 Cu21 2.299(10) . ?
C140 Cu33 2.246(10) . ?
C141 C142 1.520(18) . ?
C141 C143 1.517(17) . ?
C141 C144 1.537(17) . ?
C145 C146 1.199(16) . ?
C145 Cu26 1.976(12) . ?
C145 Cu28 1.999(10) . ?
C145 Cu39 1.998(11) . ?
C146 C147 1.502(17) . ?
C146 Cu39 2.255(13) . ?
C147 C148 1.57(2) . ?
C147 C149 1.51(2) . ?
C147 C150 1.49(2) . ?
C151 C152 1.242(14) . ?
C151 Cu23 1.970(10) . ?
C151 Cu28 1.952(11) . ?
C151 Cu45 2.004(10) . ?
C152 C153 1.463(14) . ?
C152 Cu45 2.073(9) . ?
C153 C154 1.543(15) . ?
C153 C155 1.545(16) . ?
C153 C156 1.521(15) . ?
C157 C158 1.245(14) . ?
C157 Cu6 1.864(10) . ?
C157 Cu15 2.076(10) . ?
C157 Cu25 2.238(10) . ?
C158 C159 1.505(14) . ?
C158 Cu15 2.140(11) . ?
C159 C160 1.495(19) . ?
C159 C161 1.518(18) . ?
C159 C162 1.531(18) . ?
C163 C164 1.514(19) . ?
C163 C165 1.516(18) . ?
C163 C166 1.52(2) . ?
C163 P1 1.818(11) . ?
C167 C168 1.521(19) . ?
C167 C169 1.532(17) . ?
C167 C170 1.542(17) . ?
C167 P2 1.830(10) . ?
C171 Cl1 1.66(2) . ?
C171 Cl2 1.73(2) . ?
C173 C174 1.529(10) . ?
C174 O20 1.405(10) . ?
C175 C176 1.526(10) . ?
C175 O20 1.405(10) . ?
C87A C90A 1.532(10) . ?
C8B C9B 1.51(3) . ?
C9B C10B 1.530(10) . ?
C9B C11B 1.522(10) . ?
C9B C12B 1.526(10) . ?
Cl3 C172 1.761(10) . ?
Cl4 C172 1.762(10) . ?
Cu47 Cu2 2.529(2) . ?
Cu47 Cu35 2.518(2) . ?
Cu2 Cu9 2.6946(18) . ?
Cu2 Cu11 2.896(2) . ?
Cu3 Cu32 2.647(2) . ?
Cu3 Cu43 2.662(2) . ?
Cu3 Cu2A 2.85(2) . ?
Cu3 O10 2.426(7) . ?
Cu4 Cu24 2.994(3) . ?
Cu4 Cu35 2.945(3) . ?
Cu4 O10 2.156(7) . ?
Cu4 O13 1.976(9) . ?
Cu1 Cu18 3.0567(15) . ?
Cu1 O1 1.918(6) . ?
Cu1 O2 1.945(6) . ?
Cu1 O3 1.913(6) . ?
Cu1 O4 1.940(6) . ?
Cu5 Cu7 3.0186(16) . ?
Cu5 Cu16 2.7966(16) . ?
Cu5 Cu18 2.9965(17) . ?
Cu5 Cu29 2.5336(16) . ?
Cu5 Cu40 2.7863(18) . ?
Cu5 Cu41 2.7740(18) . ?
Cu5 Cu42 2.8983(16) . ?
Cu5 O1 1.887(6) . ?
Cu5 O12 2.302(7) . ?
Cu6 Cu8 2.9490(16) . ?
Cu6 Cu9 2.7112(16) . ?
Cu6 Cu11 2.9289(16) . ?
Cu6 Cu15 2.7809(16) . ?
Cu6 Cu25 2.4733(16) . ?
Cu6 Cu44 2.6579(19) . ?
Cu6 O3 1.890(6) . ?
Cu6 O5 2.295(6) . ?
Cu7 Cu16 2.9472(17) . ?
Cu7 Cu18 2.7554(17) . ?
Cu7 Cu22 2.5414(16) . ?
Cu7 Cu26 2.7640(17) . ?
Cu7 Cu28 2.8311(18) . ?
Cu7 Cu40 2.7897(18) . ?
Cu7 Cu45 2.8515(16) . ?
Cu7 O1 1.846(6) . ?
Cu8 Cu10 2.6923(16) . ?
Cu8 Cu11 3.0297(17) . ?
Cu8 Cu20 2.5634(16) . ?
Cu8 Cu31 2.6540(17) . ?
Cu8 Cu38 2.7068(17) . ?
Cu8 Cu46 2.8839(16) . ?
Cu8 O3 1.894(6) . ?
Cu8 O6 2.256(6) . ?
Cu9 Cu11 2.8805(17) . ?
Cu9 Cu44 2.5159(18) . ?
Cu9 Cu45 3.0347(16) . ?
Cu9 Cu2A 2.812(15) . ?
Cu9 O2 1.841(6) . ?
Cu10 Cu17 2.5029(16) . ?
Cu10 Cu31 2.7928(17) . ?
Cu10 Cu35 2.7517(17) . ?
Cu10 Cu38 2.8092(18) . ?
Cu10 Cu42 2.9648(17) . ?
Cu10 Cu46 2.7889(16) . ?
Cu10 O4 1.904(6) . ?
Cu10 O9 2.290(7) . ?
Cu11 Cu31 2.8739(18) . ?
Cu11 Cu36 2.6298(17) . ?
Cu11 Cu44 2.895(2) . ?
Cu11 CU97 2.644(14) . ?
Cu11 O3 1.890(6) . ?
Cu11 O9 2.341(7) . ?
Cu12 Cu46 3.0395(16) . ?
Cu12 O6 2.067(6) . ?
Cu12 O17 1.938(7) . ?
Cu13 Cu34 3.0516(18) . ?
Cu13 O6 2.076(6) . ?
Cu13 O16 2.014(7) . ?
Cu14 Cu17 2.6577(17) . ?
Cu14 Cu19 2.6244(17) . ?
Cu14 Cu33 2.7641(19) . ?
Cu14 Cu38 2.5494(19) . ?
Cu14 Cu46 2.5319(16) . ?
Cu15 Cu23 2.5172(17) . ?
Cu15 Cu34 2.7651(17) . ?
Cu15 O5 2.159(6) . ?
Cu16 Cu21 2.7267(16) . ?
Cu16 Cu30 2.5442(17) . ?
Cu16 Cu33 2.8627(18) . ?
Cu16 Cu41 2.8817(18) . ?
Cu16 Cu42 2.7528(16) . ?
Cu16 Cu46 3.0036(16) . ?
Cu16 O1 1.893(6) . ?
Cu16 O8 2.318(6) . ?
Cu17 Cu19 2.5709(18) . ?
Cu17 Cu38 2.6072(18) . ?
Cu18 Cu32 2.6856(17) . ?
Cu18 Cu40 2.6929(19) . ?
Cu18 Cu45 2.9311(16) . ?
Cu18 O2 1.878(6) . ?
Cu19 Cu33 2.5954(19) . ?
Cu19 Cu42 2.5543(17) . ?
Cu20 Cu25 2.6046(19) . ?
Cu20 Cu31 2.6291(18) . ?
Cu20 Cu36 2.6707(19) . ?
Cu21 Cu39 2.590(2) . ?
Cu21 O8 2.128(6) . ?
Cu22 Cu26 2.6594(18) . ?
Cu22 Cu29 2.5897(19) . ?
Cu22 Cu30 2.5899(19) . ?
Cu22 Cu40 2.8317(19) . ?
Cu23 Cu28 2.5973(19) . ?
Cu23 O19 2.097(9) . ?
Cu24 O11 2.079(6) . ?
Cu24 O13 2.057(8) . ?
Cu25 Cu36 2.6409(18) . ?
Cu25 Cu44 2.507(2) . ?
Cu26 Cu28 2.5320(18) . ?
Cu26 Cu39 2.7492(19) . ?
Cu27 Cu39 2.6301(19) . ?
Cu27 O7 2.096(6) . ?
Cu27 O18 1.898(8) . ?
Cu28 Cu45 2.8047(16) . ?
Cu29 Cu30 2.6984(18) . ?
Cu29 Cu40 2.766(2) . ?
Cu29 Cu41 2.565(2) . ?
Cu30 Cu41 2.691(2) . ?
Cu31 Cu35 3.0167(19) . ?
Cu31 Cu36 3.0318(19) . ?
Cu32 O12 2.109(7) . ?
Cu33 Cu42 2.6234(17) . ?
Cu33 Cu46 2.8300(17) . ?
Cu34 O7 2.113(6) . ?
Cu34 O16 2.003(7) . ?
Cu35 CU97 1.631(14) . ?
Cu35 O9 2.073(7) . ?
Cu36 Cu44 2.670(2) . ?
Cu37 O11 2.116(7) . ?
Cu37 O15 1.916(9) . ?
Cu37 V2 3.074(2) . ?
Cu38 Cu46 2.7663(18) . ?
Cu41 Cu42 2.7097(18) . ?
Cu42 Cu46 2.9711(16) . ?
Cu42 O4 1.883(6) . ?
Cu42 O11 2.226(6) . ?
Cu43 O10 2.092(7) . ?
Cu43 O14 1.901(10) . ?
Cu45 O2 1.924(6) . ?
Cu45 O5 2.169(6) . ?
Cu46 O4 1.891(6) . ?
Cu46 O8 2.340(6) . ?
CU97 O9 2.290(15) . ?
Cu4A O10 2.00(2) . ?
O5 V1 1.730(6) . ?
O6 V1 1.771(6) . ?
O7 V1 1.717(6) . ?
O8 V1 1.719(6) . ?
O9 V2 1.723(7) . ?
O10 V2 1.698(6) . ?
O11 V2 1.766(6) . ?
O12 V2 1.712(7) . ?
O13 P1 1.524(9) . ?
O14 P1 1.514(10) . ?
O15 P1 1.505(11) . ?
O16 P2 1.548(7) . ?
O17 P2 1.522(8) . ?
O18 P2 1.519(9) . ?
C177 C178 1.530(10) . ?
O21 C178 1.409(10) . ?
O21 C179 1.408(10) . ?
C179 C180 1.536(10) . ?
C179 C280 1.27(12) . ?
C180 C280 1.64(12) . ?
C280 C279 1.57(14) . ?

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
F2 B1 F1 103(2) . . ?
F3 B1 F1 102(2) . . ?
F3 B1 F2 111(2) . . ?
F4 B1 F1 115(2) . . ?
F4 B1 F2 113(2) . . ?
F4 B1 F3 112(3) . . ?
F5 B2 F6 109(2) . . ?
F5 B2 F7 114(2) . . ?
F5 B2 F8 112(3) . . ?
F7 B2 F6 105(3) . . ?
F7 B2 F8 109.5(15) . . ?
F8 B2 F6 105.6(17) . . ?
F9 B3 F11 107.4(18) . . ?
F10 B3 F9 112.1(18) . . ?
F10 B3 F11 105(2) . . ?
F10 B3 F12 110(2) . . ?
F12 B3 F9 110.8(18) . . ?
F12 B3 F11 110.6(17) . . ?
C2 C1 Cu15 140.3(10) . . ?
C2 C1 Cu23 139.6(9) . . ?
C2 C1 Cu34 74.5(7) . . ?
Cu15 C1 Cu34 86.6(4) . . ?
Cu23 C1 Cu15 78.4(4) . . ?
Cu23 C1 Cu34 131.4(5) . . ?
C1 C2 C3 161.0(12) . . ?
C1 C2 Cu34 70.6(7) . . ?
C3 C2 Cu34 128.4(8) . . ?
C2 C3 C5 111.6(12) . . ?
C2 C3 C6 107.5(10) . . ?
C4 C3 C2 109.3(12) . . ?
C4 C3 C5 111.1(15) . . ?
C4 C3 C6 109.4(16) . . ?
C5 C3 C6 107.8(16) . . ?
C8 C7 C8B 53.6(17) . . ?
C8 C7 Cu22 126.5(14) . . ?
C8 C7 Cu29 151.1(14) . . ?
C8 C7 Cu40 84.4(15) . . ?
C8B C7 Cu22 128.0(14) . . ?
C8B C7 Cu29 119.5(15) . . ?
C8B C7 Cu40 133.9(15) . . ?
Cu22 C7 Cu29 81.0(4) . . ?
Cu22 C7 Cu40 90.2(5) . . ?
Cu29 C7 Cu40 87.4(4) . . ?
C7 C8 C9 164(3) . . ?
C7 C8 Cu40 63.6(13) . . ?
C9 C8 Cu40 132.5(18) . . ?
C8B C8 C7 67(2) . . ?
C8B C8 C9 97(2) . . ?
C8B C8 Cu40 126(2) . . ?
C8 C9 C10 109.3(19) . . ?
C8 C9 C11 109(2) . . ?
C8 C9 C8B 33.3(12) . . ?
C10 C9 C8B 103.6(19) . . ?
C11 C9 C10 111(3) . . ?
C11 C9 C8B 137(2) . . ?
C12 C9 C8 111(2) . . ?
C12 C9 C10 111(3) . . ?
C12 C9 C11 105(2) . . ?
C12 C9 C8B 84.3(15) . . ?
C14 C13 Cu13 72.7(7) . . ?
C14 C13 Cu20 153.0(9) . . ?
C14 C13 Cu25 117.2(8) . . ?
Cu13 C13 Cu25 115.1(5) . . ?
Cu20 C13 Cu13 117.9(5) . . ?
Cu20 C13 Cu25 82.1(4) . . ?
C13 C14 C15 154.3(12) . . ?
C13 C14 Cu13 72.1(7) . . ?
C15 C14 Cu13 133.6(9) . . ?
C14 C15 C16 109.0(11) . . ?
C14 C15 C18 109.0(10) . . ?
C14 C15 C17A 102.9(18) . . ?
C14 C15 C17B 115(4) . . ?
C16 C15 C18 112.4(12) . . ?
C16 C15 C17A 114(3) . . ?
C16 C15 C17B 95(5) . . ?
C17A C15 C18 109.2(18) . . ?
C17B C15 C18 116(4) . . ?
C20 C19 Cu25 132.3(10) . . ?
C20 C19 Cu36 140.5(10) . . ?
C20 C19 Cu44 120.6(10) . . ?
Cu36 C19 Cu25 81.3(4) . . ?
Cu44 C19 Cu25 76.5(4) . . ?
Cu44 C19 Cu36 82.7(4) . . ?
C19 C20 C21 179.8(16) . . ?
C20 C21 C22 109.8(11) . . ?
C20 C21 C23 107.4(13) . . ?
C20 C21 C24 108.6(14) . . ?
C22 C21 C23 109.7(15) . . ?
C24 C21 C22 112.0(16) . . ?
C24 C21 C23 109.3(16) . . ?
C26 C25 Cu2 86.2(8) . . ?
C26 C25 Cu9 142.3(10) . . ?
C26 C25 Cu44 136.5(9) . . ?
C26 C25 Cu2A 68.4(9) . . ?
Cu9 C25 Cu2 86.2(4) . . ?
Cu9 C25 Cu44 81.2(4) . . ?
Cu9 C25 Cu2A 87.9(6) . . ?
Cu44 C25 Cu2 101.9(5) . . ?
Cu44 C25 Cu2A 130.9(8) . . ?
C25 C26 C27 167.3(12) . . ?
C25 C26 Cu2 62.0(7) . . ?
C25 C26 Cu2A 77.9(9) . . ?
C27 C26 Cu2 129.1(10) . . ?
C27 C26 Cu2A 109.9(12) . . ?
C26 C27 C28 108.0(13) . . ?
C26 C27 C29 109.4(11) . . ?
C26 C27 C30 108.0(15) . . ?
C28 C27 C29 109.8(16) . . ?
C28 C27 C30 112.7(16) . . ?
C30 C27 C29 108.7(16) . . ?
C32 C31 Cu47 86.8(8) . . ?
C32 C31 Cu2 95.6(8) . . ?
C32 C31 Cu11 177.4(10) . . ?
C32 C31 Cu36 96.9(8) . . ?
C32 C31 CU97 96.9(9) . . ?
Cu2 C31 Cu47 63.9(3) . . ?
Cu11 C31 Cu47 95.9(4) . . ?
Cu11 C31 Cu2 85.3(4) . . ?
Cu11 C31 Cu36 80.6(4) . . ?
Cu11 C31 CU97 85.6(5) . . ?
Cu36 C31 Cu47 168.0(5) . . ?
Cu36 C31 Cu2 126.7(5) . . ?
CU97 C31 Cu36 142.2(7) . . ?
C31 C32 C33 179.3(14) . . ?
C31 C32 CU97 53.6(7) . . ?
C33 C32 CU97 127.1(10) . . ?
C32 C33 C35 105.6(13) . . ?
C32 C33 C36 111.4(13) . . ?
C32 C33 C35A 102.6(17) . . ?
C32 C33 C36A 109.0(19) . . ?
C34 C33 C32 111.0(12) . . ?
C34 C33 C35 83.6(18) . . ?
C34 C33 C36 134.4(16) . . ?
C34 C33 C35A 85(2) . . ?
C34 C33 C36A 133(2) . . ?
C36 C33 C35 69.6(16) . . ?
C36A C33 C35A 63(3) . . ?
C38 C37 Cu8 170.4(10) . . ?
C38 C37 Cu20 105.3(9) . . ?
C38 C37 Cu38 95.1(8) . . ?
Cu8 C37 Cu20 76.5(4) . . ?
Cu8 C37 Cu38 87.1(4) . . ?
Cu38 C37 Cu20 150.0(5) . . ?
C37 C38 C39 170.1(13) . . ?
C37 C38 Cu38 55.7(7) . . ?
C39 C38 Cu38 134.1(9) . . ?
C41 C39 C40 87.1(18) . . ?
C41 C39 C38 107.7(14) . . ?
C40A C39 C41A 135(3) . . ?
C40A C39 C38 116(2) . . ?
C40A C39 C42 54(2) . . ?
C38 C39 C40 105.3(14) . . ?
C38 C39 C41A 107(2) . . ?
C42 C39 C40 114.7(18) . . ?
C42 C39 C41 127.8(19) . . ?
C42 C39 C41A 100(3) . . ?
C42 C39 C38 110.6(13) . . ?
C44 C43 Cu14 131.3(10) . . ?
C44 C43 Cu17 127.9(9) . . ?
C44 C43 Cu38 138.8(9) . . ?
Cu17 C43 Cu14 80.1(4) . . ?
Cu38 C43 Cu14 77.2(4) . . ?
Cu38 C43 Cu17 79.6(4) . . ?
C43 C44 C45 178.3(12) . . ?
C44 C45 C46 110.3(9) . . ?
C44 C45 C47 109.0(10) . . ?
C44 C45 C48 108.7(10) . . ?
C46 C45 C47 111.8(13) . . ?
C46 C45 C48 109.7(12) . . ?
C47 C45 C48 107.2(13) . . ?
C50 C49 Cu14 125.2(10) . . ?
C50 C49 Cu19 110.7(10) . . ?
C50 C49 Cu33 147.2(11) . . ?
Cu14 C49 Cu19 79.4(4) . . ?
Cu33 C49 Cu14 86.7(4) . . ?
Cu33 C49 Cu19 79.4(4) . . ?
C49 C50 C51 177.6(15) . . ?
C50 C51 C54 108.6(14) . . ?
C50 C51 C53A 106.3(19) . . ?
C50 C51 C53B 109(2) . . ?
C52 C51 C50 110.3(13) . . ?
C52 C51 C54 105.7(17) . . ?
C52 C51 C53A 128(3) . . ?
C52 C51 C53B 93(3) . . ?
C54 C51 C53A 95(3) . . ?
C54 C51 C53B 128(3) . . ?
C56 C55 Cu17 133.1(10) . . ?
C56 C55 Cu19 139.7(10) . . ?
C56 C55 Cu24 73.4(7) . . ?
Cu17 C55 Cu24 121.0(5) . . ?
Cu19 C55 Cu17 81.1(4) . . ?
Cu19 C55 Cu24 110.3(5) . . ?
C55 C56 C57 158.0(12) . . ?
C55 C56 Cu24 71.0(7) . . ?
C57 C56 Cu24 130.9(9) . . ?
C56 C57 C58 108.3(11) . . ?
C56 C57 C59 108.2(10) . . ?
C56 C57 C60 112.0(11) . . ?
C58 C57 C59 109.1(12) . . ?
C58 C57 C60 110.5(12) . . ?
C60 C57 C59 108.7(12) . . ?
C62 C61 Cu47 143.5(10) . . ?
C62 C61 Cu4 73.1(8) . . ?
C62 C61 Cu35 138.5(10) . . ?
C62 C61 CU97 167.8(11) . . ?
C62 C61 Cu4A 71.1(10) . . ?
Cu47 C61 Cu4 110.5(5) . . ?
Cu47 C61 Cu35 77.9(4) . . ?
Cu4 C61 Cu35 92.9(5) . . ?
CU97 C61 Cu35 48.9(5) . . ?
Cu4A C61 Cu35 107.2(8) . . ?
Cu4A C61 CU97 118.4(10) . . ?
C61 C62 C63 161.5(14) . . ?
C61 C62 Cu4 71.6(8) . . ?
C61 C62 Cu4A 70.2(10) . . ?
C63 C62 Cu4 126.8(10) . . ?
C63 C62 Cu4A 126.5(11) . . ?
C64 C63 C62 109.6(12) . . ?
C65 C63 C62 110.7(12) . . ?
C65 C63 C64 105.9(15) . . ?
C65 C63 C66 114.3(16) . . ?
C66 C63 C62 109.4(12) . . ?
C66 C63 C64 106.8(14) . . ?
C68 C67 Cu47 124.8(12) . . ?
C68 C67 Cu2 152.3(11) . . ?
C68 C67 Cu3 76.5(10) . . ?
C68 C67 Cu2A 125.5(14) . . ?
Cu47 C67 Cu3 105.5(5) . . ?
Cu2 C67 Cu47 78.5(5) . . ?
Cu2 C67 Cu3 114.2(6) . . ?
Cu2A C67 Cu3 95.0(9) . . ?
C67 C68 C69 169.6(17) . . ?
C67 C68 Cu3 69.3(9) . . ?
C69 C68 Cu3 121.0(12) . . ?
C68 C69 C70 109.9(16) . . ?
C68 C69 C71 108.9(14) . . ?
C68 C69 C72 108.1(15) . . ?
C70 C69 C71 111.4(17) . . ?
C70 C69 C72 109.9(16) . . ?
C71 C69 C72 108.5(17) . . ?
C74 C73 Cu3 133.0(11) . . ?
C74 C73 Cu32 143.3(12) . . ?
C74 C73 Cu43 73.9(8) . . ?
Cu32 C73 Cu3 83.5(5) . . ?
Cu43 C73 Cu3 84.3(5) . . ?
Cu43 C73 Cu32 113.3(5) . . ?
C73 C74 C75 164.1(13) . . ?
C73 C74 Cu43 70.1(7) . . ?
C75 C74 Cu43 125.7(9) . . ?
C74 C75 C78 106.2(15) . . ?
C74 C75 C76B 109.2(17) . . ?
C76 C75 C74 109.9(17) . . ?
C76 C75 C78 83(2) . . ?
C76 C75 C76B 48(2) . . ?
C77 C75 C74 111.6(13) . . ?
C77 C75 C76 135(2) . . ?
C77 C75 C78 101.8(17) . . ?
C77 C75 C76B 100(2) . . ?
C78 C75 C76B 127(2) . . ?
C80 C79 Cu18 143.9(14) . . ?
C80 C79 Cu32 79.0(10) . . ?
C80 C79 Cu40 128.1(14) . . ?
Cu18 C79 Cu32 85.0(4) . . ?
Cu18 C79 Cu40 88.1(4) . . ?
Cu40 C79 Cu32 115.9(5) . . ?
C79 C80 C81 165.6(15) . . ?
C79 C80 Cu32 68.7(9) . . ?
C81 C80 Cu32 124.0(14) . . ?
C84 C81 C80 107.6(18) . . ?
C84 C81 C82B 141(3) . . ?
C82A C81 C80 110.3(15) . . ?
C82A C81 C84 96(2) . . ?
C82A C81 C83A 115(4) . . ?
C83A C81 C80 104(4) . . ?
C83A C81 C84 123(4) . . ?
C82B C81 C80 97(2) . . ?
C83B C81 C80 106(3) . . ?
C83B C81 C84 106(3) . . ?
C83B C81 C82B 96(3) . . ?
C86 C85 Cu7 169.5(10) . . ?
C86 C85 Cu22 111.4(9) . . ?
C86 C85 Cu26 107.9(9) . . ?
C86 C85 Cu28 98.2(9) . . ?
Cu7 C85 Cu22 75.4(4) . . ?
Cu7 C85 Cu26 81.6(4) . . ?
Cu7 C85 Cu28 81.6(4) . . ?
Cu22 C85 Cu26 71.4(3) . . ?
Cu22 C85 Cu28 132.9(5) . . ?
Cu26 C85 Cu28 64.9(3) . . ?
C85 C86 C87 166.1(16) . . ?
C85 C86 C87A 157.3(18) . . ?
C86 C87 C89 104.5(14) . . ?
C86 C87 C90 114.3(14) . . ?
C89 C87 C90 111.0(16) . . ?
C92 C91 Cu20 95.2(10) . . ?
C92 C91 Cu31 170.5(12) . . ?
C92 C91 Cu36 91.7(10) . . ?
Cu20 C91 Cu36 79.4(4) . . ?
Cu31 C91 Cu20 82.2(4) . . ?
Cu31 C91 Cu36 96.7(5) . . ?
C91 C92 C93 169.8(15) . . ?
C91 C92 Cu20 55.8(8) . . ?
C91 C92 Cu36 59.0(8) . . ?
C93 C92 Cu20 130.2(12) . . ?
C93 C92 Cu36 129.7(12) . . ?
Cu36 C92 Cu20 65.3(3) . . ?
C92 C93 C95 106.3(18) . . ?
C92 C93 C94A 103.3(18) . . ?
C94 C93 C92 113.8(17) . . ?
C94 C93 C95 97(2) . . ?
C94 C93 C96 127(2) . . ?
C95 C93 C94A 139(2) . . ?
C96 C93 C92 109.1(15) . . ?
C96 C93 C95 99.5(18) . . ?
C96 C93 C94A 97(2) . . ?
C98 C97 Cu10 155.7(9) . . ?
C98 C97 Cu17 128.1(9) . . ?
C98 C97 Cu31 74.4(7) . . ?
C98 C97 Cu35 76.7(7) . . ?
Cu10 C97 Cu17 76.2(4) . . ?
Cu10 C97 Cu31 88.2(4) . . ?
Cu10 C97 Cu35 87.2(4) . . ?
Cu31 C97 Cu17 134.4(5) . . ?
Cu35 C97 Cu17 129.1(5) . . ?
Cu35 C97 Cu31 91.6(4) . . ?
C97 C98 C99 157.0(12) . . ?
C97 C98 Cu31 71.4(7) . . ?
C97 C98 Cu35 69.2(7) . . ?
C99 C98 Cu31 123.0(9) . . ?
C99 C98 Cu35 124.8(8) . . ?
Cu31 C98 Cu35 88.4(4) . . ?
C98 C99 C100 108.2(10) . . ?
C98 C99 C101 107.4(11) . . ?
C98 C99 C102 111.3(10) . . ?
C101 C99 C100 109.0(11) . . ?
C101 C99 C102 112.1(11) . . ?
C102 C99 C100 108.6(12) . . ?
C104 C103 Cu12 70.9(6) . . ?
C104 C103 Cu14 110.5(7) . . ?
C104 C103 Cu46 170.7(8) . . ?
Cu12 C103 Cu14 153.9(5) . . ?
Cu46 C103 Cu12 102.3(4) . . ?
Cu46 C103 Cu14 78.5(3) . . ?
C103 C104 C105 159.5(11) . . ?
C103 C104 Cu12 72.5(6) . . ?
C105 C104 Cu12 127.8(8) . . ?
C106 C105 C107 110.9(17) . . ?
C106 C105 C108 110.5(16) . . ?
C107 C105 C108 107.5(14) . . ?
C104 C105 C106 109.1(12) . . ?
C104 C105 C107 109.6(13) . . ?
C104 C105 C108 109.2(11) . . ?
C104 C105 C206 102.5(17) . . ?
C104 C105 C207 114.6(18) . . ?
C207 C105 C206 92(3) . . ?
C208 C105 C104 116.3(19) . . ?
C208 C105 C206 109(2) . . ?
C208 C105 C207 118(2) . . ?
C110 C109 Cu21 153.9(10) . . ?
C110 C109 Cu27 73.6(8) . . ?
C110 C109 Cu39 124.0(10) . . ?
Cu21 C109 Cu27 114.2(5) . . ?
Cu21 C109 Cu39 82.2(4) . . ?
Cu39 C109 Cu27 83.0(4) . . ?
C109 C110 C111 160.3(13) . . ?
C109 C110 Cu27 70.8(7) . . ?
C111 C110 Cu27 128.6(9) . . ?
C110 C111 C114 109.6(11) . . ?
C112 C111 C110 111.4(11) . . ?
C112 C111 C113 112.4(13) . . ?
C112 C111 C114 111.8(14) . . ?
C113 C111 C110 106.7(10) . . ?
C113 C111 C114 104.6(12) . . ?
C116 C115 Cu22 140.5(10) . . ?
C116 C115 Cu26 83.1(8) . . ?
C116 C115 Cu30 138.6(10) . . ?
Cu22 C115 Cu26 81.7(4) . . ?
Cu30 C115 Cu22 80.8(4) . . ?
Cu30 C115 Cu26 112.2(5) . . ?
C115 C116 C117 169.8(12) . . ?
C115 C116 Cu26 64.8(7) . . ?
C117 C116 Cu26 125.3(8) . . ?
C116 C117 C119 109.0(11) . . ?
C116 C117 C120 107.5(9) . . ?
C118 C117 C116 109.3(9) . . ?
C118 C117 C119 111.8(10) . . ?
C118 C117 C120 109.7(11) . . ?
C119 C117 C120 109.4(11) . . ?
C122 C121 Cu29 115.9(13) . . ?
C122 C121 Cu30 107.2(10) . . ?
C122 C121 Cu41 162.4(14) . . ?
Cu30 C121 Cu29 80.7(4) . . ?
Cu41 C121 Cu29 78.8(4) . . ?
Cu41 C121 Cu30 84.0(4) . . ?
C121 C122 C123 175(2) . . ?
C122 C123 C124 110(2) . . ?
C125 C123 C122 109.9(19) . . ?
C125 C123 C124 101(2) . . ?
C126 C123 C122 111(2) . . ?
C126 C123 C124 111(2) . . ?
C126 C123 C125 114(2) . . ?
C128 C127 Cu19 118.0(8) . . ?
C128 C127 Cu33 120.9(8) . . ?
C128 C127 Cu41 81.9(8) . . ?
C128 C127 Cu42 162.5(9) . . ?
Cu19 C127 Cu33 66.8(3) . . ?
Cu41 C127 Cu19 151.8(5) . . ?
Cu41 C127 Cu33 86.1(4) . . ?
Cu42 C127 Cu19 77.4(4) . . ?
Cu42 C127 Cu33 71.5(3) . . ?
Cu42 C127 Cu41 87.1(4) . . ?
C127 C128 C129 167.8(13) . . ?
C127 C128 Cu41 65.0(7) . . ?
C129 C128 Cu41 127.0(9) . . ?
C128 C129 C130 110.8(12) . . ?
C128 C129 C132 108.6(11) . . ?
C130 C129 C132 106.6(16) . . ?
C131 C129 C128 108.0(12) . . ?
C131 C129 C130 113.0(16) . . ?
C131 C129 C132 109.8(15) . . ?
C134 C133 Cu5 169.3(10) . . ?
C134 C133 Cu29 107.9(8) . . ?
C134 C133 Cu37 73.9(7) . . ?
Cu5 C133 Cu29 77.8(4) . . ?
Cu5 C133 Cu37 105.2(5) . . ?
Cu37 C133 Cu29 153.5(6) . . ?
C133 C134 C135 157.7(11) . . ?
C133 C134 Cu37 70.0(6) . . ?
C135 C134 Cu37 130.9(8) . . ?
C134 C135 C136 106.8(10) . . ?
C134 C135 C137 111.3(10) . . ?
C134 C135 C138 106.8(11) . . ?
C136 C135 C137 109.0(12) . . ?
C136 C135 C138 113.0(14) . . ?
C138 C135 C137 110.0(14) . . ?
C140 C139 Cu16 166.8(9) . . ?
C140 C139 Cu21 85.1(7) . . ?
C140 C139 Cu30 116.1(8) . . ?
C140 C139 Cu33 79.9(7) . . ?
Cu16 C139 Cu21 87.9(4) . . ?
Cu16 C139 Cu30 77.1(4) . . ?
Cu16 C139 Cu33 91.8(4) . . ?
Cu21 C139 Cu30 114.8(5) . . ?
Cu21 C139 Cu33 108.4(4) . . ?
Cu33 C139 Cu30 134.7(5) . . ?
C139 C140 C141 161.1(11) . . ?
C139 C140 Cu21 62.6(6) . . ?
C139 C140 Cu33 67.3(7) . . ?
C141 C140 Cu21 127.1(7) . . ?
C141 C140 Cu33 122.3(7) . . ?
Cu33 C140 Cu21 95.6(4) . . ?
C140 C141 C142 111.9(10) . . ?
C140 C141 C143 107.0(10) . . ?
C140 C141 C144 107.0(9) . . ?
C142 C141 C144 109.1(11) . . ?
C143 C141 C142 110.3(11) . . ?
C143 C141 C144 111.5(11) . . ?
C146 C145 Cu26 148.6(10) . . ?
C146 C145 Cu28 129.7(10) . . ?
C146 C145 Cu39 85.9(9) . . ?
Cu26 C145 Cu28 79.1(4) . . ?
Cu26 C145 Cu39 87.5(5) . . ?
Cu39 C145 Cu28 121.6(5) . . ?
C145 C146 C147 171.0(14) . . ?
C145 C146 Cu39 62.1(8) . . ?
C147 C146 Cu39 126.8(10) . . ?
C146 C147 C148 108.8(12) . . ?
C146 C147 C149 111.1(12) . . ?
C149 C147 C148 109.8(14) . . ?
C150 C147 C146 107.4(12) . . ?
C150 C147 C148 109.5(15) . . ?
C150 C147 C149 110.2(15) . . ?
C152 C151 Cu23 132.7(9) . . ?
C152 C151 Cu28 144.4(9) . . ?
C152 C151 Cu45 75.4(6) . . ?
Cu23 C151 Cu45 115.7(5) . . ?
Cu28 C151 Cu23 83.0(4) . . ?
Cu28 C151 Cu45 90.3(4) . . ?
C151 C152 C153 160.4(10) . . ?
C151 C152 Cu45 69.2(6) . . ?
C153 C152 Cu45 130.2(7) . . ?
C152 C153 C154 110.6(9) . . ?
C152 C153 C155 109.1(9) . . ?
C152 C153 C156 108.7(9) . . ?
C154 C153 C155 108.9(11) . . ?
C156 C153 C154 110.3(10) . . ?
C156 C153 C155 109.2(10) . . ?
C158 C157 Cu6 161.8(9) . . ?
C158 C157 Cu15 75.7(7) . . ?
C158 C157 Cu25 124.3(8) . . ?
Cu6 C157 Cu15 89.6(4) . . ?
Cu6 C157 Cu25 73.5(4) . . ?
Cu15 C157 Cu25 131.2(5) . . ?
C157 C158 C159 162.3(12) . . ?
C157 C158 Cu15 70.0(7) . . ?
C159 C158 Cu15 127.4(8) . . ?
C158 C159 C161 107.8(11) . . ?
C158 C159 C162 106.5(10) . . ?
C160 C159 C158 110.9(10) . . ?
C160 C159 C161 111.6(14) . . ?
C160 C159 C162 110.8(12) . . ?
C161 C159 C162 109.1(13) . . ?
C164 C163 C165 109.0(12) . . ?
C164 C163 C166 107.4(13) . . ?
C164 C163 P1 109.0(9) . . ?
C165 C163 C166 111.0(14) . . ?
C165 C163 P1 110.0(9) . . ?
C166 C163 P1 110.4(9) . . ?
C168 C167 C169 111.1(12) . . ?
C168 C167 C170 109.1(11) . . ?
C168 C167 P2 110.1(8) . . ?
C169 C167 C170 109.5(11) . . ?
C169 C167 P2 109.1(8) . . ?
C170 C167 P2 107.9(9) . . ?
Cl1 C171 Cl2 112.2(13) . . ?
O20 C174 C173 107(2) . . ?
O20 C175 C176 109(3) . . ?
C86 C87A C90A 119(2) . . ?
C88 C87A C86 114(2) . . ?
C88 C87A C90A 92(2) . . ?
C7 C8B C9 109.3(19) . . ?
C7 C8B C9B 173(3) . . ?
C8 C8B C7 59.9(19) . . ?
C8 C8B C9 49.4(18) . . ?
C8 C8B C9B 113(3) . . ?
C9B C8B C9 64.1(14) . . ?
C8B C9B C10B 112(2) . . ?
C8B C9B C11B 116.5(19) . . ?
C8B C9B C12B 107(2) . . ?
C11B C9B C10B 110(3) . . ?
C11B C9B C12B 114(3) . . ?
C12B C9B C10B 95(3) . . ?
C31 Cu47 Cu2 56.9(3) . . ?
C31 Cu47 Cu35 80.3(3) . . ?
C61 Cu47 C31 119.4(4) . . ?
C61 Cu47 C67 135.1(5) . . ?
C61 Cu47 Cu2 175.6(3) . . ?
C61 Cu47 Cu35 52.2(3) . . ?
C67 Cu47 C31 103.8(4) . . ?
C67 Cu47 Cu2 49.2(4) . . ?
C67 Cu47 Cu35 156.9(4) . . ?
Cu35 Cu47 Cu2 123.52(9) . . ?
C25 Cu2 C26 31.7(4) . . ?
C25 Cu2 C31 104.3(4) . . ?
C25 Cu2 Cu47 161.2(3) . . ?
C25 Cu2 Cu9 44.4(3) . . ?
C25 Cu2 Cu11 89.1(3) . . ?
C26 Cu2 C31 122.6(4) . . ?
C26 Cu2 Cu47 164.1(3) . . ?
C26 Cu2 Cu9 71.7(3) . . ?
C26 Cu2 Cu11 120.1(3) . . ?
C31 Cu2 Cu47 59.2(3) . . ?
C31 Cu2 Cu9 98.0(3) . . ?
C31 Cu2 Cu11 40.5(3) . . ?
C67 Cu2 C25 146.0(5) . . ?
C67 Cu2 C26 118.4(5) . . ?
C67 Cu2 C31 109.0(5) . . ?
C67 Cu2 Cu47 52.3(4) . . ?
C67 Cu2 Cu9 133.7(4) . . ?
C67 Cu2 Cu11 120.8(4) . . ?
Cu47 Cu2 Cu9 124.14(7) . . ?
Cu47 Cu2 Cu11 72.37(7) . . ?
Cu9 Cu2 Cu11 61.90(5) . . ?
C67 Cu3 C68 34.2(5) . . ?
C67 Cu3 Cu32 138.9(4) . . ?
C67 Cu3 Cu43 135.9(4) . . ?
C67 Cu3 Cu2A 39.1(5) . . ?
C67 Cu3 O10 98.1(4) . . ?
C68 Cu3 Cu32 158.6(4) . . ?
C68 Cu3 Cu43 121.9(4) . . ?
C68 Cu3 Cu2A 64.1(5) . . ?
C68 Cu3 O10 110.7(5) . . ?
C73 Cu3 C67 169.0(5) . . ?
C73 Cu3 C68 135.4(5) . . ?
C73 Cu3 Cu32 48.0(3) . . ?
C73 Cu3 Cu43 47.5(3) . . ?
C73 Cu3 Cu2A 142.1(5) . . ?
C73 Cu3 O10 90.1(4) . . ?
Cu32 Cu3 Cu43 76.84(7) . . ?
Cu32 Cu3 Cu2A 101.4(3) . . ?
Cu43 Cu3 Cu2A 162.4(4) . . ?
O10 Cu3 Cu32 89.43(17) . . ?
O10 Cu3 Cu43 48.29(17) . . ?
O10 Cu3 Cu2A 114.6(5) . . ?
C61 Cu4 C62 35.3(4) . . ?
C61 Cu4 Cu24 122.3(3) . . ?
C61 Cu4 Cu35 43.7(3) . . ?
C61 Cu4 O10 96.9(4) . . ?
C62 Cu4 Cu24 134.0(3) . . ?
C62 Cu4 Cu35 73.5(3) . . ?
C62 Cu4 O10 123.7(4) . . ?
Cu35 Cu4 Cu24 80.36(7) . . ?
O10 Cu4 Cu24 90.74(19) . . ?
O10 Cu4 Cu35 86.16(19) . . ?
O13 Cu4 C61 160.0(4) . . ?
O13 Cu4 C62 138.2(4) . . ?
O13 Cu4 Cu24 43.1(2) . . ?
O13 Cu4 Cu35 123.3(3) . . ?
O13 Cu4 O10 96.9(3) . . ?
O1 Cu1 Cu18 61.13(18) . . ?
O1 Cu1 O2 89.6(3) . . ?
O1 Cu1 O4 89.3(3) . . ?
O2 Cu1 Cu18 36.18(19) . . ?
O3 Cu1 Cu18 126.69(19) . . ?
O3 Cu1 O1 166.0(3) . . ?
O3 Cu1 O2 93.8(3) . . ?
O3 Cu1 O4 90.2(3) . . ?
O4 Cu1 Cu18 135.14(19) . . ?
O4 Cu1 O2 168.1(3) . . ?
C133 Cu5 Cu7 136.4(3) . . ?
C133 Cu5 Cu16 129.4(4) . . ?
C133 Cu5 Cu18 123.0(4) . . ?
C133 Cu5 Cu29 56.4(3) . . ?
C133 Cu5 Cu40 85.1(3) . . ?
C133 Cu5 Cu41 67.7(4) . . ?
C133 Cu5 Cu42 100.7(3) . . ?
C133 Cu5 O1 167.8(4) . . ?
C133 Cu5 O12 96.5(4) . . ?
Cu16 Cu5 Cu7 60.76(4) . . ?
Cu16 Cu5 Cu18 104.84(5) . . ?
Cu16 Cu5 Cu42 57.78(4) . . ?
Cu18 Cu5 Cu7 54.52(4) . . ?
Cu29 Cu5 Cu7 84.86(5) . . ?
Cu29 Cu5 Cu16 89.25(5) . . ?
Cu29 Cu5 Cu18 116.98(6) . . ?
Cu29 Cu5 Cu40 62.45(5) . . ?
Cu29 Cu5 Cu41 57.59(5) . . ?
Cu29 Cu5 Cu42 114.52(5) . . ?
Cu40 Cu5 Cu7 57.28(4) . . ?
Cu40 Cu5 Cu16 112.74(5) . . ?
Cu40 Cu5 Cu18 55.36(4) . . ?
Cu40 Cu5 Cu42 170.51(6) . . ?
Cu41 Cu5 Cu7 110.18(5) . . ?
Cu41 Cu5 Cu16 62.30(5) . . ?
Cu41 Cu5 Cu18 164.67(6) . . ?
Cu41 Cu5 Cu40 119.72(6) . . ?
Cu41 Cu5 Cu42 57.02(4) . . ?
Cu42 Cu5 Cu7 114.30(5) . . ?
Cu42 Cu5 Cu18 125.01(5) . . ?
O1 Cu5 Cu7 35.57(18) . . ?
O1 Cu5 Cu16 42.37(18) . . ?
O1 Cu5 Cu18 62.74(18) . . ?
O1 Cu5 Cu29 111.68(18) . . ?
O1 Cu5 Cu40 91.14(19) . . ?
O1 Cu5 Cu41 104.63(18) . . ?
O1 Cu5 Cu42 81.65(18) . . ?
O1 Cu5 O12 95.4(2) . . ?
O12 Cu5 Cu7 106.52(17) . . ?
O12 Cu5 Cu16 126.85(18) . . ?
O12 Cu5 Cu18 54.16(17) . . ?
O12 Cu5 Cu29 143.45(19) . . ?
O12 Cu5 Cu40 94.11(18) . . ?
O12 Cu5 Cu41 139.59(18) . . ?
O12 Cu5 Cu42 92.70(18) . . ?
C157 Cu6 Cu8 137.3(3) . . ?
C157 Cu6 Cu9 99.4(3) . . ?
C157 Cu6 Cu11 132.1(3) . . ?
C157 Cu6 Cu15 48.3(3) . . ?
C157 Cu6 Cu25 60.2(3) . . ?
C157 Cu6 Cu44 70.8(3) . . ?
C157 Cu6 O3 169.7(4) . . ?
C157 Cu6 O5 97.0(4) . . ?
Cu9 Cu6 Cu8 118.16(5) . . ?
Cu9 Cu6 Cu11 61.28(4) . . ?
Cu9 Cu6 Cu15 114.08(5) . . ?
Cu11 Cu6 Cu8 62.05(4) . . ?
Cu15 Cu6 Cu8 121.45(5) . . ?
Cu15 Cu6 Cu11 175.16(6) . . ?
Cu25 Cu6 Cu8 85.07(5) . . ?
Cu25 Cu6 Cu9 114.18(6) . . ?
Cu25 Cu6 Cu11 86.93(5) . . ?
Cu25 Cu6 Cu15 96.59(5) . . ?
Cu25 Cu6 Cu44 58.35(5) . . ?
Cu44 Cu6 Cu8 113.19(6) . . ?
Cu44 Cu6 Cu9 55.88(5) . . ?
Cu44 Cu6 Cu11 62.20(5) . . ?
Cu44 Cu6 Cu15 116.95(6) . . ?
O3 Cu6 Cu8 38.84(19) . . ?
O3 Cu6 Cu9 80.66(19) . . ?
O3 Cu6 Cu11 39.22(19) . . ?
O3 Cu6 Cu15 140.98(19) . . ?
O3 Cu6 Cu25 110.29(19) . . ?
O3 Cu6 Cu44 101.36(19) . . ?
O3 Cu6 O5 92.9(2) . . ?
O5 Cu6 Cu8 92.37(16) . . ?
O5 Cu6 Cu9 104.85(16) . . ?
O5 Cu6 Cu11 129.21(16) . . ?
O5 Cu6 Cu15 49.22(16) . . ?
O5 Cu6 Cu25 136.93(16) . . ?
O5 Cu6 Cu44 152.87(16) . . ?
C85 Cu7 Cu5 136.8(3) . . ?
C85 Cu7 Cu16 135.6(3) . . ?
C85 Cu7 Cu18 115.0(3) . . ?
C85 Cu7 Cu22 58.7(3) . . ?
C85 Cu7 Cu26 55.9(3) . . ?
C85 Cu7 Cu28 57.1(3) . . ?
C85 Cu7 Cu40 84.1(3) . . ?
C85 Cu7 Cu45 99.6(3) . . ?
Cu16 Cu7 Cu5 55.89(4) . . ?
Cu18 Cu7 Cu5 62.33(4) . . ?
Cu18 Cu7 Cu16 107.25(5) . . ?
Cu18 Cu7 Cu26 169.33(6) . . ?
Cu18 Cu7 Cu28 117.55(5) . . ?
Cu18 Cu7 Cu40 58.10(5) . . ?
Cu18 Cu7 Cu45 63.01(4) . . ?
Cu22 Cu7 Cu5 85.42(5) . . ?
Cu22 Cu7 Cu16 87.92(5) . . ?
Cu22 Cu7 Cu18 122.03(6) . . ?
Cu22 Cu7 Cu26 59.99(5) . . ?
Cu22 Cu7 Cu28 104.77(5) . . ?
Cu22 Cu7 Cu40 63.97(5) . . ?
Cu22 Cu7 Cu45 158.18(6) . . ?
Cu26 Cu7 Cu5 127.76(5) . . ?
Cu26 Cu7 Cu16 83.02(5) . . ?
Cu26 Cu7 Cu28 53.80(4) . . ?
Cu26 Cu7 Cu40 122.24(6) . . ?
Cu26 Cu7 Cu45 110.99(5) . . ?
Cu28 Cu7 Cu5 165.84(6) . . ?
Cu28 Cu7 Cu16 113.79(5) . . ?
Cu28 Cu7 Cu45 59.15(4) . . ?
Cu40 Cu7 Cu5 57.17(4) . . ?
Cu40 Cu7 Cu16 108.22(5) . . ?
Cu40 Cu7 Cu28 136.10(6) . . ?
Cu40 Cu7 Cu45 115.76(6) . . ?
Cu45 Cu7 Cu5 113.30(5) . . ?
Cu45 Cu7 Cu16 111.54(5) . . ?
O1 Cu7 C85 170.9(4) . . ?
O1 Cu7 Cu5 36.50(18) . . ?
O1 Cu7 Cu16 38.55(18) . . ?
O1 Cu7 Cu18 69.04(18) . . ?
O1 Cu7 Cu22 112.24(19) . . ?
O1 Cu7 Cu26 120.83(19) . . ?
O1 Cu7 Cu28 129.35(19) . . ?
O1 Cu7 Cu40 91.92(18) . . ?
O1 Cu7 Cu45 89.51(19) . . ?
C37 Cu8 Cu6 140.6(3) . . ?
C37 Cu8 Cu10 103.0(3) . . ?
C37 Cu8 Cu11 124.5(3) . . ?
C37 Cu8 Cu20 57.2(3) . . ?
C37 Cu8 Cu31 66.1(3) . . ?
C37 Cu8 Cu38 48.2(3) . . ?
C37 Cu8 Cu46 101.5(3) . . ?
C37 Cu8 O6 96.3(4) . . ?
Cu6 Cu8 Cu11 58.65(4) . . ?
Cu10 Cu8 Cu6 110.83(5) . . ?
Cu10 Cu8 Cu11 64.56(4) . . ?
Cu10 Cu8 Cu38 62.71(5) . . ?
Cu10 Cu8 Cu46 59.90(4) . . ?
Cu20 Cu8 Cu6 86.86(5) . . ?
Cu20 Cu8 Cu10 123.29(6) . . ?
Cu20 Cu8 Cu11 84.03(5) . . ?
Cu20 Cu8 Cu31 60.49(5) . . ?
Cu20 Cu8 Cu38 101.87(6) . . ?
Cu20 Cu8 Cu46 158.49(6) . . ?
Cu31 Cu8 Cu6 112.34(5) . . ?
Cu31 Cu8 Cu10 62.98(5) . . ?
Cu31 Cu8 Cu11 60.32(4) . . ?
Cu31 Cu8 Cu38 71.08(5) . . ?
Cu31 Cu8 Cu46 116.11(5) . . ?
Cu38 Cu8 Cu6 171.04(6) . . ?
Cu38 Cu8 Cu11 119.72(5) . . ?
Cu38 Cu8 Cu46 59.21(4) . . ?
Cu46 Cu8 Cu6 112.56(5) . . ?
Cu46 Cu8 Cu11 113.50(5) . . ?
O3 Cu8 C37 161.2(4) . . ?
O3 Cu8 Cu6 38.74(18) . . ?
O3 Cu8 Cu10 72.12(19) . . ?
O3 Cu8 Cu11 36.77(18) . . ?
O3 Cu8 Cu20 109.60(19) . . ?
O3 Cu8 Cu31 96.20(19) . . ?
O3 Cu8 Cu38 134.07(19) . . ?
O3 Cu8 Cu46 91.76(19) . . ?
O3 Cu8 O6 100.0(2) . . ?
O6 Cu8 Cu6 75.13(16) . . ?
O6 Cu8 Cu10 133.08(16) . . ?
O6 Cu8 Cu11 132.90(16) . . ?
O6 Cu8 Cu20 103.17(16) . . ?
O6 Cu8 Cu31 160.31(17) . . ?
O6 Cu8 Cu38 104.45(16) . . ?
O6 Cu8 Cu46 74.61(15) . . ?
C25 Cu9 Cu2 49.4(3) . . ?
C25 Cu9 Cu6 111.3(3) . . ?
C25 Cu9 Cu11 92.9(3) . . ?
C25 Cu9 Cu44 50.8(3) . . ?
C25 Cu9 Cu45 140.7(3) . . ?
C25 Cu9 Cu2A 49.9(6) . . ?
Cu2 Cu9 Cu6 119.68(6) . . ?
Cu2 Cu9 Cu11 62.50(5) . . ?
Cu2 Cu9 Cu45 168.62(6) . . ?
Cu6 Cu9 Cu11 63.09(4) . . ?
Cu6 Cu9 Cu45 65.02(4) . . ?
Cu6 Cu9 Cu2A 141.8(4) . . ?
Cu11 Cu9 Cu45 115.70(5) . . ?
Cu44 Cu9 Cu2 73.61(6) . . ?
Cu44 Cu9 Cu6 60.99(5) . . ?
Cu44 Cu9 Cu11 64.48(5) . . ?
Cu44 Cu9 Cu45 116.44(6) . . ?
Cu44 Cu9 Cu2A 89.4(4) . . ?
Cu2A Cu9 Cu11 83.2(5) . . ?
Cu2A Cu9 Cu45 152.3(4) . . ?
O2 Cu9 C25 170.8(4) . . ?
O2 Cu9 Cu2 131.8(2) . . ?
O2 Cu9 Cu6 76.53(19) . . ?
O2 Cu9 Cu11 95.13(19) . . ?
O2 Cu9 Cu44 137.4(2) . . ?
O2 Cu9 Cu45 37.22(19) . . ?
O2 Cu9 Cu2A 126.7(5) . . ?
C97 Cu10 Cu8 103.1(3) . . ?
C97 Cu10 Cu17 56.6(3) . . ?
C97 Cu10 Cu31 49.2(3) . . ?
C97 Cu10 Cu35 49.5(3) . . ?
C97 Cu10 Cu38 73.7(3) . . ?
C97 Cu10 Cu42 131.3(3) . . ?
C97 Cu10 Cu46 131.4(3) . . ?
C97 Cu10 O4 167.3(4) . . ?
C97 Cu10 O9 96.9(4) . . ?
Cu8 Cu10 Cu31 57.84(4) . . ?
Cu8 Cu10 Cu35 116.83(6) . . ?
Cu8 Cu10 Cu38 58.90(4) . . ?
Cu8 Cu10 Cu42 120.09(5) . . ?
Cu8 Cu10 Cu46 63.46(4) . . ?
Cu17 Cu10 Cu8 117.29(6) . . ?
Cu17 Cu10 Cu31 95.77(6) . . ?
Cu17 Cu10 Cu35 93.61(5) . . ?
Cu17 Cu10 Cu38 58.45(5) . . ?
Cu17 Cu10 Cu42 82.69(5) . . ?
Cu17 Cu10 Cu46 86.96(5) . . ?
Cu31 Cu10 Cu38 67.60(5) . . ?
Cu31 Cu10 Cu42 176.48(6) . . ?
Cu35 Cu10 Cu31 65.92(5) . . ?
Cu35 Cu10 Cu38 121.69(6) . . ?
Cu35 Cu10 Cu42 117.26(5) . . ?
Cu35 Cu10 Cu46 179.09(6) . . ?
Cu38 Cu10 Cu42 108.95(5) . . ?
Cu46 Cu10 Cu31 114.74(5) . . ?
Cu46 Cu10 Cu38 59.23(4) . . ?
Cu46 Cu10 Cu42 62.09(4) . . ?
O4 Cu10 Cu8 83.84(19) . . ?
O4 Cu10 Cu17 110.83(19) . . ?
O4 Cu10 Cu31 140.67(19) . . ?
O4 Cu10 Cu35 136.6(2) . . ?
O4 Cu10 Cu38 101.7(2) . . ?
O4 Cu10 Cu42 38.22(19) . . ?
O4 Cu10 Cu46 42.52(19) . . ?
O4 Cu10 O9 90.4(3) . . ?
O9 Cu10 Cu8 110.24(17) . . ?
O9 Cu10 Cu17 129.21(17) . . ?
O9 Cu10 Cu31 94.63(17) . . ?
O9 Cu10 Cu35 47.47(17) . . ?
O9 Cu10 Cu38 162.05(18) . . ?
O9 Cu10 Cu42 88.78(17) . . ?
O9 Cu10 Cu46 131.65(17) . . ?
C31 Cu11 Cu2 54.2(3) . . ?
C31 Cu11 Cu6 129.5(3) . . ?
C31 Cu11 Cu8 135.4(3) . . ?
C31 Cu11 Cu9 104.5(3) . . ?
C31 Cu11 Cu31 87.1(3) . . ?
C31 Cu11 Cu36 54.3(3) . . ?
C31 Cu11 Cu44 76.7(3) . . ?
C31 Cu11 CU97 49.0(5) . . ?
C31 Cu11 O3 165.8(4) . . ?
C31 Cu11 O9 102.6(3) . . ?
Cu2 Cu11 Cu6 106.71(5) . . ?
Cu2 Cu11 Cu8 165.79(6) . . ?
Cu6 Cu11 Cu8 59.30(4) . . ?
Cu9 Cu11 Cu2 55.61(4) . . ?
Cu9 Cu11 Cu6 55.63(4) . . ?
Cu9 Cu11 Cu8 110.52(5) . . ?
Cu9 Cu11 Cu44 51.65(4) . . ?
Cu31 Cu11 Cu2 139.81(6) . . ?
Cu31 Cu11 Cu6 106.75(5) . . ?
Cu31 Cu11 Cu8 53.35(4) . . ?
Cu31 Cu11 Cu9 162.38(6) . . ?
Cu31 Cu11 Cu44 120.80(6) . . ?
Cu36 Cu11 Cu2 93.98(6) . . ?
Cu36 Cu11 Cu6 86.40(5) . . ?
Cu36 Cu11 Cu8 87.90(5) . . ?
Cu36 Cu11 Cu9 109.15(5) . . ?
Cu36 Cu11 Cu31 66.68(5) . . ?
Cu36 Cu11 Cu44 57.55(5) . . ?
Cu36 Cu11 CU97 96.8(4) . . ?
Cu44 Cu11 Cu2 65.31(5) . . ?
Cu44 Cu11 Cu6 54.30(5) . . ?
Cu44 Cu11 Cu8 104.44(5) . . ?
CU97 Cu11 Cu6 171.6(4) . . ?
CU97 Cu11 Cu8 128.4(3) . . ?
CU97 Cu11 Cu9 116.0(4) . . ?
CU97 Cu11 Cu31 81.6(4) . . ?
CU97 Cu11 Cu44 121.3(3) . . ?
O3 Cu11 Cu2 130.8(2) . . ?
O3 Cu11 Cu6 39.21(19) . . ?
O3 Cu11 Cu8 36.85(19) . . ?
O3 Cu11 Cu9 76.12(19) . . ?
O3 Cu11 Cu31 89.38(19) . . ?
O3 Cu11 Cu36 111.72(19) . . ?
O3 Cu11 Cu44 93.45(19) . . ?
O3 Cu11 CU97 143.8(4) . . ?
O3 Cu11 O9 91.2(2) . . ?
O9 Cu11 Cu2 87.54(17) . . ?
O9 Cu11 Cu6 124.55(17) . . ?
O9 Cu11 Cu8 98.51(16) . . ?
O9 Cu11 Cu9 98.73(17) . . ?
O9 Cu11 Cu31 91.43(16) . . ?
O9 Cu11 Cu36 147.15(17) . . ?
O9 Cu11 Cu44 147.43(17) . . ?
O9 Cu11 CU97 54.3(4) . . ?
C103 Cu12 Cu46 37.0(3) . . ?
C103 Cu12 O6 110.5(3) . . ?
C104 Cu12 C103 36.6(4) . . ?
C104 Cu12 Cu46 73.4(3) . . ?
C104 Cu12 O6 146.9(3) . . ?
O6 Cu12 Cu46 73.56(17) . . ?
O17 Cu12 C103 149.6(4) . . ?
O17 Cu12 C104 113.0(4) . . ?
O17 Cu12 Cu46 172.4(2) . . ?
O17 Cu12 O6 99.8(3) . . ?
C13 Cu13 C14 35.2(4) . . ?
C13 Cu13 Cu34 140.2(3) . . ?
C13 Cu13 O6 110.9(3) . . ?
C14 Cu13 Cu34 121.3(3) . . ?
C14 Cu13 O6 146.1(4) . . ?
O6 Cu13 Cu34 83.49(18) . . ?
O16 Cu13 C13 150.5(4) . . ?
O16 Cu13 C14 115.3(4) . . ?
O16 Cu13 Cu34 40.4(2) . . ?
O16 Cu13 O6 98.6(3) . . ?
C43 Cu14 C103 111.2(4) . . ?
C43 Cu14 Cu17 49.7(3) . . ?
C43 Cu14 Cu19 99.5(3) . . ?
C43 Cu14 Cu33 155.9(3) . . ?
C43 Cu14 Cu38 50.3(3) . . ?
C43 Cu14 Cu46 114.7(3) . . ?
C49 Cu14 C43 127.3(5) . . ?
C49 Cu14 C103 119.5(4) . . ?
C49 Cu14 Cu17 106.7(3) . . ?
C49 Cu14 Cu19 50.9(3) . . ?
C49 Cu14 Cu33 45.9(3) . . ?
C49 Cu14 Cu38 165.5(3) . . ?
C49 Cu14 Cu46 110.3(3) . . ?
C103 Cu14 Cu17 123.4(3) . . ?
C103 Cu14 Cu19 136.9(3) . . ?
C103 Cu14 Cu33 85.9(3) . . ?
C103 Cu14 Cu38 69.0(3) . . ?
C103 Cu14 Cu46 46.4(3) . . ?
Cu17 Cu14 Cu33 106.92(6) . . ?
Cu19 Cu14 Cu17 58.25(5) . . ?
Cu19 Cu14 Cu33 57.52(5) . . ?
Cu38 Cu14 Cu17 60.05(5) . . ?
Cu38 Cu14 Cu19 114.65(6) . . ?
Cu38 Cu14 Cu33 128.69(6) . . ?
Cu46 Cu14 Cu17 89.27(5) . . ?
Cu46 Cu14 Cu19 93.76(5) . . ?
Cu46 Cu14 Cu33 64.43(5) . . ?
Cu46 Cu14 Cu38 65.97(5) . . ?
C1 Cu15 C157 147.6(4) . . ?
C1 Cu15 C158 116.7(4) . . ?
C1 Cu15 Cu6 162.9(3) . . ?
C1 Cu15 Cu23 50.2(3) . . ?
C1 Cu15 Cu34 46.9(3) . . ?
C1 Cu15 O5 115.9(4) . . ?
C157 Cu15 C158 34.3(4) . . ?
C157 Cu15 Cu6 42.1(3) . . ?
C157 Cu15 Cu23 141.4(3) . . ?
C157 Cu15 Cu34 130.4(3) . . ?
C157 Cu15 O5 95.2(3) . . ?
C158 Cu15 Cu6 76.0(3) . . ?
C158 Cu15 Cu23 117.7(3) . . ?
C158 Cu15 Cu34 130.3(3) . . ?
C158 Cu15 O5 127.3(3) . . ?
Cu23 Cu15 Cu6 136.31(6) . . ?
Cu23 Cu15 Cu34 87.13(5) . . ?
Cu34 Cu15 Cu6 116.34(5) . . ?
O5 Cu15 Cu6 53.57(17) . . ?
O5 Cu15 Cu23 93.32(17) . . ?
O5 Cu15 Cu34 89.54(17) . . ?
C139 Cu16 Cu5 131.0(3) . . ?
C139 Cu16 Cu7 133.4(3) . . ?
C139 Cu16 Cu21 48.6(3) . . ?
C139 Cu16 Cu30 57.0(3) . . ?
C139 Cu16 Cu33 47.3(3) . . ?
C139 Cu16 Cu41 73.4(3) . . ?
C139 Cu16 Cu42 99.7(3) . . ?
C139 Cu16 Cu46 91.4(3) . . ?
C139 Cu16 O1 167.5(4) . . ?
C139 Cu16 O8 95.2(3) . . ?
Cu5 Cu16 Cu7 63.35(4) . . ?
Cu5 Cu16 Cu33 112.15(5) . . ?
Cu5 Cu16 Cu41 58.46(4) . . ?
Cu5 Cu16 Cu46 114.11(5) . . ?
Cu7 Cu16 Cu46 125.63(5) . . ?
Cu21 Cu16 Cu5 171.54(6) . . ?
Cu21 Cu16 Cu7 110.20(5) . . ?
Cu21 Cu16 Cu33 74.04(5) . . ?
Cu21 Cu16 Cu41 122.07(6) . . ?
Cu21 Cu16 Cu42 125.09(6) . . ?
Cu21 Cu16 Cu46 73.91(4) . . ?
Cu30 Cu16 Cu5 88.53(5) . . ?
Cu30 Cu16 Cu7 83.75(5) . . ?
Cu30 Cu16 Cu21 85.21(5) . . ?
Cu30 Cu16 Cu33 94.04(5) . . ?
Cu30 Cu16 Cu41 59.07(5) . . ?
Cu30 Cu16 Cu42 116.29(6) . . ?
Cu30 Cu16 Cu46 148.22(6) . . ?
Cu33 Cu16 Cu7 174.96(6) . . ?
Cu33 Cu16 Cu41 65.81(5) . . ?
Cu33 Cu16 Cu46 57.63(4) . . ?
Cu41 Cu16 Cu7 109.23(5) . . ?
Cu41 Cu16 Cu46 112.81(5) . . ?
Cu42 Cu16 Cu5 62.96(4) . . ?
Cu42 Cu16 Cu7 121.38(5) . . ?
Cu42 Cu16 Cu33 55.66(4) . . ?
Cu42 Cu16 Cu41 57.44(4) . . ?
Cu42 Cu16 Cu46 61.97(4) . . ?
O1 Cu16 Cu5 42.20(18) . . ?
O1 Cu16 Cu7 37.41(18) . . ?
O1 Cu16 Cu21 135.86(19) . . ?
O1 Cu16 Cu30 110.55(18) . . ?
O1 Cu16 Cu33 140.79(19) . . ?
O1 Cu16 Cu41 100.63(18) . . ?
O1 Cu16 Cu42 85.65(18) . . ?
O1 Cu16 Cu46 101.08(18) . . ?
O1 Cu16 O8 93.4(2) . . ?
O8 Cu16 Cu5 133.45(16) . . ?
O8 Cu16 Cu7 90.31(16) . . ?
O8 Cu16 Cu21 49.09(16) . . ?
O8 Cu16 Cu30 128.22(16) . . ?
O8 Cu16 Cu33 94.61(16) . . ?
O8 Cu16 Cu41 160.30(16) . . ?
O8 Cu16 Cu42 110.54(16) . . ?
O8 Cu16 Cu46 50.18(16) . . ?
C43 Cu17 C97 111.5(4) . . ?
C43 Cu17 Cu10 115.8(3) . . ?
C43 Cu17 Cu14 50.2(3) . . ?
C43 Cu17 Cu19 101.6(3) . . ?
C43 Cu17 Cu38 49.4(3) . . ?
C55 Cu17 C43 130.8(4) . . ?
C55 Cu17 C97 114.5(4) . . ?
C55 Cu17 Cu10 107.9(3) . . ?
C55 Cu17 Cu14 107.5(3) . . ?
C55 Cu17 Cu19 48.7(3) . . ?
C55 Cu17 Cu38 162.5(3) . . ?
C97 Cu17 Cu10 47.2(3) . . ?
C97 Cu17 Cu14 129.1(3) . . ?
C97 Cu17 Cu19 140.1(3) . . ?
C97 Cu17 Cu38 74.8(3) . . ?
Cu10 Cu17 Cu14 93.67(5) . . ?
Cu10 Cu17 Cu19 98.68(6) . . ?
Cu10 Cu17 Cu38 66.66(5) . . ?
Cu19 Cu17 Cu14 60.23(5) . . ?
Cu19 Cu17 Cu38 114.51(6) . . ?
Cu38 Cu17 Cu14 57.91(5) . . ?
C79 Cu18 Cu1 153.8(3) . . ?
C79 Cu18 Cu5 91.3(4) . . ?
C79 Cu18 Cu7 105.9(3) . . ?
C79 Cu18 Cu32 50.2(3) . . ?
C79 Cu18 Cu40 47.1(4) . . ?
C79 Cu18 Cu45 137.9(3) . . ?
Cu5 Cu18 Cu1 63.27(4) . . ?
Cu7 Cu18 Cu1 69.56(4) . . ?
Cu7 Cu18 Cu5 63.14(4) . . ?
Cu7 Cu18 Cu45 60.10(4) . . ?
Cu32 Cu18 Cu1 113.93(5) . . ?
Cu32 Cu18 Cu5 78.37(5) . . ?
Cu32 Cu18 Cu7 135.02(6) . . ?
Cu32 Cu18 Cu40 79.16(5) . . ?
Cu32 Cu18 Cu45 164.27(6) . . ?
Cu40 Cu18 Cu1 115.44(6) . . ?
Cu40 Cu18 Cu5 58.35(5) . . ?
Cu40 Cu18 Cu7 61.59(5) . . ?
Cu40 Cu18 Cu45 116.26(6) . . ?
Cu45 Cu18 Cu1 63.68(4) . . ?
Cu45 Cu18 Cu5 111.65(5) . . ?
O2 Cu18 C79 167.1(4) . . ?
O2 Cu18 Cu1 37.69(18) . . ?
O2 Cu18 Cu5 100.89(18) . . ?
O2 Cu18 Cu7 83.65(18) . . ?
O2 Cu18 Cu32 128.01(19) . . ?
O2 Cu18 Cu40 144.47(19) . . ?
O2 Cu18 Cu45 40.13(19) . . ?
C49 Cu19 C127 101.4(4) . . ?
C49 Cu19 Cu14 49.7(3) . . ?
C49 Cu19 Cu17 108.8(3) . . ?
C49 Cu19 Cu33 48.9(3) . . ?
C49 Cu19 Cu42 109.4(3) . . ?
C55 Cu19 C49 145.7(5) . . ?
C55 Cu19 C127 112.4(4) . . ?
C55 Cu19 Cu14 110.3(4) . . ?
C55 Cu19 Cu17 50.3(4) . . ?
C55 Cu19 Cu33 157.0(3) . . ?
C55 Cu19 Cu42 98.5(3) . . ?
C127 Cu19 Cu14 124.6(3) . . ?
C127 Cu19 Cu17 133.9(3) . . ?
C127 Cu19 Cu33 62.8(3) . . ?
C127 Cu19 Cu42 46.5(3) . . ?
Cu17 Cu19 Cu14 61.53(5) . . ?
Cu17 Cu19 Cu33 114.98(6) . . ?
Cu33 Cu19 Cu14 63.95(5) . . ?
Cu42 Cu19 Cu14 94.04(5) . . ?
Cu42 Cu19 Cu17 90.14(5) . . ?
Cu42 Cu19 Cu33 61.25(5) . . ?
C13 Cu20 C37 107.7(4) . . ?
C13 Cu20 C91 150.5(5) . . ?
C13 Cu20 C92 124.5(4) . . ?
C13 Cu20 Cu8 96.4(3) . . ?
C13 Cu20 Cu25 50.8(3) . . ?
C13 Cu20 Cu31 156.8(3) . . ?
C13 Cu20 Cu36 109.3(3) . . ?
C37 Cu20 C92 120.8(4) . . ?
C37 Cu20 Cu8 46.3(2) . . ?
C37 Cu20 Cu25 133.3(3) . . ?
C37 Cu20 Cu31 63.2(3) . . ?
C37 Cu20 Cu36 130.4(3) . . ?
C91 Cu20 C37 101.4(4) . . ?
C91 Cu20 C92 29.0(5) . . ?
C91 Cu20 Cu8 107.2(3) . . ?
C91 Cu20 Cu25 110.3(3) . . ?
C91 Cu20 Cu31 46.8(3) . . ?
C91 Cu20 Cu36 51.2(3) . . ?
C92 Cu20 Cu8 136.1(3) . . ?
C92 Cu20 Cu25 102.6(4) . . ?
C92 Cu20 Cu31 75.5(3) . . ?
C92 Cu20 Cu36 57.1(4) . . ?
Cu8 Cu20 Cu25 90.89(5) . . ?
Cu8 Cu20 Cu31 61.46(5) . . ?
Cu8 Cu20 Cu36 97.58(6) . . ?
Cu25 Cu20 Cu31 118.15(6) . . ?
Cu25 Cu20 Cu36 60.07(5) . . ?
Cu31 Cu20 Cu36 69.78(5) . . ?
C109 Cu21 C139 151.6(4) . . ?
C109 Cu21 C140 123.6(4) . . ?
C109 Cu21 Cu16 157.0(3) . . ?
C109 Cu21 Cu39 49.1(3) . . ?
C109 Cu21 O8 111.4(3) . . ?
C139 Cu21 C140 32.4(4) . . ?
C139 Cu21 Cu16 43.5(3) . . ?
C139 Cu21 Cu39 133.5(3) . . ?
C139 Cu21 O8 96.4(3) . . ?
C140 Cu21 Cu16 75.4(3) . . ?
C140 Cu21 Cu39 142.7(3) . . ?
Cu39 Cu21 Cu16 108.03(6) . . ?
O8 Cu21 C140 123.8(3) . . ?
O8 Cu21 Cu16 55.38(17) . . ?
O8 Cu21 Cu39 82.84(17) . . ?
C7 Cu22 C85 112.2(5) . . ?
C7 Cu22 C115 142.2(5) . . ?
C7 Cu22 Cu7 107.1(4) . . ?
C7 Cu22 Cu26 167.7(4) . . ?
C7 Cu22 Cu29 49.6(3) . . ?
C7 Cu22 Cu30 110.3(4) . . ?
C7 Cu22 Cu40 45.1(4) . . ?
C85 Cu22 Cu7 45.9(3) . . ?
C85 Cu22 Cu26 55.6(3) . . ?
C85 Cu22 Cu29 133.9(3) . . ?
C85 Cu22 Cu30 126.7(3) . . ?
C85 Cu22 Cu40 77.3(3) . . ?
C115 Cu22 C85 104.4(4) . . ?
C115 Cu22 Cu7 105.1(3) . . ?
C115 Cu22 Cu26 50.0(3) . . ?
C115 Cu22 Cu29 108.9(3) . . ?
C115 Cu22 Cu30 49.3(3) . . ?
C115 Cu22 Cu40 161.2(3) . . ?
Cu7 Cu22 Cu26 64.16(5) . . ?
Cu7 Cu22 Cu29 94.34(6) . . ?
Cu7 Cu22 Cu30 91.56(6) . . ?
Cu7 Cu22 Cu40 62.28(5) . . ?
Cu26 Cu22 Cu40 124.63(6) . . ?
Cu29 Cu22 Cu26 136.49(6) . . ?
Cu29 Cu22 Cu30 62.80(5) . . ?
Cu29 Cu22 Cu40 61.17(5) . . ?
Cu30 Cu22 Cu26 79.60(5) . . ?
Cu30 Cu22 Cu40 114.44(6) . . ?
C1 Cu23 Cu15 51.4(3) . . ?
C1 Cu23 Cu28 125.9(3) . . ?
C1 Cu23 O19 110.0(4) . . ?
C151 Cu23 C1 142.7(4) . . ?
C151 Cu23 Cu15 91.9(3) . . ?
C151 Cu23 Cu28 48.2(3) . . ?
C151 Cu23 O19 103.7(4) . . ?
Cu15 Cu23 Cu28 103.24(6) . . ?
O19 Cu23 Cu15 142.6(3) . . ?
O19 Cu23 Cu28 112.6(3) . . ?
C55 Cu24 C56 35.6(4) . . ?
C55 Cu24 Cu4 132.7(3) . . ?
C55 Cu24 O11 112.2(4) . . ?
C55 Cu24 O13 149.8(4) . . ?
C56 Cu24 Cu4 119.8(3) . . ?
C56 Cu24 O11 147.7(4) . . ?
C56 Cu24 O13 115.2(4) . . ?
O11 Cu24 Cu4 83.61(18) . . ?
O13 Cu24 Cu4 41.1(3) . . ?
O13 Cu24 O11 97.1(3) . . ?
C13 Cu25 C157 114.5(4) . . ?
C13 Cu25 Cu6 103.7(3) . . ?
C13 Cu25 Cu20 47.1(3) . . ?
C13 Cu25 Cu36 106.8(3) . . ?
C13 Cu25 Cu44 161.2(3) . . ?
C19 Cu25 C13 134.7(4) . . ?
C19 Cu25 C157 109.0(4) . . ?
C19 Cu25 Cu6 115.5(3) . . ?
C19 Cu25 Cu20 104.1(3) . . ?
C19 Cu25 Cu36 49.2(3) . . ?
C19 Cu25 Cu44 51.5(3) . . ?
C157 Cu25 Cu6 46.3(3) . . ?
C157 Cu25 Cu20 138.6(3) . . ?
C157 Cu25 Cu36 128.8(3) . . ?
C157 Cu25 Cu44 69.0(3) . . ?
Cu6 Cu25 Cu20 96.86(6) . . ?
Cu6 Cu25 Cu36 96.31(6) . . ?
Cu6 Cu25 Cu44 64.51(5) . . ?
Cu20 Cu25 Cu36 61.21(5) . . ?
Cu44 Cu25 Cu20 117.26(7) . . ?
Cu44 Cu25 Cu36 62.42(6) . . ?
C85 Cu26 Cu7 42.5(3) . . ?
C85 Cu26 Cu22 53.1(3) . . ?
C85 Cu26 Cu28 59.2(3) . . ?
C85 Cu26 Cu39 139.7(3) . . ?
C115 Cu26 C85 100.3(4) . . ?
C115 Cu26 C116 32.2(4) . . ?
C115 Cu26 Cu7 96.3(3) . . ?
C115 Cu26 Cu22 48.3(3) . . ?
C115 Cu26 Cu28 158.4(3) . . ?
C115 Cu26 Cu39 115.1(3) . . ?
C116 Cu26 C85 120.0(4) . . ?
C116 Cu26 Cu7 128.3(3) . . ?
C116 Cu26 Cu22 75.9(3) . . ?
C116 Cu26 Cu28 162.7(3) . . ?
C116 Cu26 Cu39 100.3(3) . . ?
C145 Cu26 C85 106.5(4) . . ?
C145 Cu26 C115 150.6(4) . . ?
C145 Cu26 C116 119.9(4) . . ?
C145 Cu26 Cu7 111.6(3) . . ?
C145 Cu26 Cu22 159.5(3) . . ?
C145 Cu26 Cu28 50.8(3) . . ?
C145 Cu26 Cu39 46.6(3) . . ?
Cu22 Cu26 Cu7 55.85(4) . . ?
Cu22 Cu26 Cu39 149.31(7) . . ?
Cu28 Cu26 Cu7 64.45(5) . . ?
Cu28 Cu26 Cu22 110.24(6) . . ?
Cu28 Cu26 Cu39 82.60(6) . . ?
Cu39 Cu26 Cu7 111.62(6) . . ?
C109 Cu27 C110 35.6(4) . . ?
C109 Cu27 Cu39 48.3(3) . . ?
C109 Cu27 O7 105.6(3) . . ?
C110 Cu27 Cu39 74.3(3) . . ?
C110 Cu27 O7 138.7(4) . . ?
O7 Cu27 Cu39 64.97(18) . . ?
O18 Cu27 C109 159.4(4) . . ?
O18 Cu27 C110 124.9(4) . . ?
O18 Cu27 Cu39 148.5(3) . . ?
O18 Cu27 O7 94.9(3) . . ?
C85 Cu28 Cu7 41.3(2) . . ?
C85 Cu28 Cu23 150.0(3) . . ?
C85 Cu28 Cu26 55.9(3) . . ?
C85 Cu28 Cu45 89.3(2) . . ?
C145 Cu28 C85 102.5(4) . . ?
C145 Cu28 Cu7 108.3(3) . . ?
C145 Cu28 Cu23 103.9(3) . . ?
C145 Cu28 Cu26 50.0(3) . . ?
C145 Cu28 Cu45 145.1(3) . . ?
C151 Cu28 C85 103.0(4) . . ?
C151 Cu28 C145 152.3(5) . . ?
C151 Cu28 Cu7 98.0(3) . . ?
C151 Cu28 Cu23 48.8(3) . . ?
C151 Cu28 Cu26 157.6(3) . . ?
C151 Cu28 Cu45 45.6(3) . . ?
Cu23 Cu28 Cu7 137.51(6) . . ?
Cu23 Cu28 Cu45 76.94(5) . . ?
Cu26 Cu28 Cu7 61.75(5) . . ?
Cu26 Cu28 Cu23 153.34(7) . . ?
Cu26 Cu28 Cu45 120.18(6) . . ?
Cu45 Cu28 Cu7 60.79(4) . . ?
C7 Cu29 C121 130.8(5) . . ?
C7 Cu29 C133 118.5(4) . . ?
C7 Cu29 Cu5 109.0(4) . . ?
C7 Cu29 Cu22 49.4(4) . . ?
C7 Cu29 Cu30 106.0(3) . . ?
C7 Cu29 Cu40 46.5(4) . . ?
C7 Cu29 Cu41 165.3(4) . . ?
C121 Cu29 C133 109.2(4) . . ?
C121 Cu29 Cu5 112.5(3) . . ?
C121 Cu29 Cu22 101.0(3) . . ?
C121 Cu29 Cu30 49.4(3) . . ?
C121 Cu29 Cu40 162.5(3) . . ?
C121 Cu29 Cu41 48.1(3) . . ?
C133 Cu29 Cu5 45.8(3) . . ?
C133 Cu29 Cu22 137.5(3) . . ?
C133 Cu29 Cu30 124.7(3) . . ?
C133 Cu29 Cu40 80.4(3) . . ?
C133 Cu29 Cu41 68.8(3) . . ?
Cu5 Cu29 Cu22 95.34(6) . . ?
Cu5 Cu29 Cu30 90.95(5) . . ?
Cu5 Cu29 Cu40 63.25(5) . . ?
Cu5 Cu29 Cu41 65.91(5) . . ?
Cu22 Cu29 Cu30 58.61(5) . . ?
Cu22 Cu29 Cu40 63.73(5) . . ?
Cu30 Cu29 Cu40 113.11(6) . . ?
Cu41 Cu29 Cu22 116.29(6) . . ?
Cu41 Cu29 Cu30 61.43(5) . . ?
Cu41 Cu29 Cu40 128.78(6) . . ?
C115 Cu30 C121 128.1(4) . . ?
C115 Cu30 C139 120.0(4) . . ?
C115 Cu30 Cu16 113.0(3) . . ?
C115 Cu30 Cu22 49.9(3) . . ?
C115 Cu30 Cu29 105.4(3) . . ?
C115 Cu30 Cu41 161.8(3) . . ?
C121 Cu30 C139 109.3(4) . . ?
C121 Cu30 Cu16 112.3(3) . . ?
C121 Cu30 Cu22 101.5(3) . . ?
C121 Cu30 Cu29 49.9(3) . . ?
C121 Cu30 Cu41 46.0(3) . . ?
C139 Cu30 Cu16 46.0(3) . . ?
C139 Cu30 Cu22 137.9(3) . . ?
C139 Cu30 Cu29 125.8(3) . . ?
C139 Cu30 Cu41 73.8(3) . . ?
Cu16 Cu30 Cu22 96.19(6) . . ?
Cu16 Cu30 Cu29 91.26(5) . . ?
Cu16 Cu30 Cu41 66.73(5) . . ?
Cu22 Cu30 Cu29 58.60(5) . . ?
Cu22 Cu30 Cu41 112.01(6) . . ?
Cu41 Cu30 Cu29 56.85(5) . . ?
C91 Cu31 C97 153.7(4) . . ?
C91 Cu31 C98 119.5(5) . . ?
C91 Cu31 Cu8 107.9(3) . . ?
C91 Cu31 Cu10 160.7(3) . . ?
C91 Cu31 Cu11 96.7(3) . . ?
C91 Cu31 Cu20 51.0(3) . . ?
C91 Cu31 Cu35 124.2(3) . . ?
C91 Cu31 Cu36 43.9(3) . . ?
C97 Cu31 C98 34.2(4) . . ?
C97 Cu31 Cu8 98.3(3) . . ?
C97 Cu31 Cu10 42.6(3) . . ?
C97 Cu31 Cu11 95.4(3) . . ?
C97 Cu31 Cu20 153.5(3) . . ?
C97 Cu31 Cu35 43.9(3) . . ?
C97 Cu31 Cu36 142.1(3) . . ?
C98 Cu31 Cu8 132.3(3) . . ?
C98 Cu31 Cu10 75.8(3) . . ?
C98 Cu31 Cu11 110.2(3) . . ?
C98 Cu31 Cu20 163.0(3) . . ?
C98 Cu31 Cu35 46.2(3) . . ?
C98 Cu31 Cu36 130.3(3) . . ?
Cu8 Cu31 Cu10 59.18(4) . . ?
Cu8 Cu31 Cu11 66.33(4) . . ?
Cu8 Cu31 Cu35 109.57(5) . . ?
Cu8 Cu31 Cu36 87.42(5) . . ?
Cu10 Cu31 Cu11 65.56(4) . . ?
Cu10 Cu31 Cu35 56.38(4) . . ?
Cu10 Cu31 Cu36 117.81(6) . . ?
Cu11 Cu31 Cu35 63.94(5) . . ?
Cu11 Cu31 Cu36 52.80(4) . . ?
Cu20 Cu31 Cu8 58.05(5) . . ?
Cu20 Cu31 Cu10 117.07(6) . . ?
Cu20 Cu31 Cu11 86.06(5) . . ?
Cu20 Cu31 Cu35 149.59(7) . . ?
Cu20 Cu31 Cu36 55.75(5) . . ?
Cu35 Cu31 Cu36 98.84(6) . . ?
C73 Cu32 C79 148.4(5) . . ?
C73 Cu32 C80 116.8(6) . . ?
C73 Cu32 Cu3 48.6(4) . . ?
C73 Cu32 Cu18 163.4(4) . . ?
C73 Cu32 O12 111.2(4) . . ?
C79 Cu32 C80 32.3(5) . . ?
C79 Cu32 Cu3 147.6(3) . . ?
C79 Cu32 Cu18 44.8(3) . . ?
C79 Cu32 O12 99.5(3) . . ?
C80 Cu32 Cu3 133.8(6) . . ?
C80 Cu32 Cu18 73.6(4) . . ?
Cu3 Cu32 Cu18 114.88(7) . . ?
O12 Cu32 C80 131.7(5) . . ?
O12 Cu32 Cu3 83.27(19) . . ?
O12 Cu32 Cu18 61.18(18) . . ?
C49 Cu33 C127 93.0(4) . . ?
C49 Cu33 C139 152.4(4) . . ?
C49 Cu33 C140 119.7(4) . . ?
C49 Cu33 Cu14 47.4(3) . . ?
C49 Cu33 Cu16 163.7(3) . . ?
C49 Cu33 Cu19 51.7(3) . . ?
C49 Cu33 Cu42 109.6(3) . . ?
C49 Cu33 Cu46 101.1(3) . . ?
C127 Cu33 Cu14 107.3(2) . . ?
C127 Cu33 Cu16 86.7(2) . . ?
C127 Cu33 Cu19 50.3(2) . . ?
C127 Cu33 Cu42 43.3(2) . . ?
C127 Cu33 Cu46 108.2(2) . . ?
C139 Cu33 C127 106.1(4) . . ?
C139 Cu33 C140 32.8(4) . . ?
C139 Cu33 Cu14 138.0(3) . . ?
C139 Cu33 Cu16 40.9(3) . . ?
C139 Cu33 Cu19 154.3(3) . . ?
C139 Cu33 Cu42 98.0(3) . . ?
C139 Cu33 Cu46 91.8(3) . . ?
C140 Cu33 C127 122.2(4) . . ?
C140 Cu33 Cu14 130.1(3) . . ?
C140 Cu33 Cu16 73.4(3) . . ?
C140 Cu33 Cu19 162.3(3) . . ?
C140 Cu33 Cu42 130.0(3) . . ?
C140 Cu33 Cu46 109.8(3) . . ?
Cu14 Cu33 Cu16 117.33(6) . . ?
Cu14 Cu33 Cu46 53.81(4) . . ?
Cu19 Cu33 Cu14 58.54(5) . . ?
Cu19 Cu33 Cu16 118.49(6) . . ?
Cu19 Cu33 Cu42 58.61(5) . . ?
Cu19 Cu33 Cu46 87.75(5) . . ?
Cu42 Cu33 Cu14 89.35(5) . . ?
Cu42 Cu33 Cu16 60.05(4) . . ?
Cu42 Cu33 Cu46 65.90(4) . . ?
Cu46 Cu33 Cu16 63.69(4) . . ?
C1 Cu34 C2 35.0(4) . . ?
C1 Cu34 Cu13 121.3(3) . . ?
C1 Cu34 Cu15 46.4(3) . . ?
C1 Cu34 O7 108.2(3) . . ?
C2 Cu34 Cu13 130.5(3) . . ?
C2 Cu34 Cu15 77.0(3) . . ?
C2 Cu34 O7 133.3(4) . . ?
Cu15 Cu34 Cu13 78.93(5) . . ?
O7 Cu34 Cu13 89.18(17) . . ?
O7 Cu34 Cu15 90.76(17) . . ?
O16 Cu34 C1 151.0(4) . . ?
O16 Cu34 C2 130.0(4) . . ?
O16 Cu34 Cu13 40.71(19) . . ?
O16 Cu34 Cu15 118.9(2) . . ?
O16 Cu34 O7 95.5(3) . . ?
C61 Cu35 C97 151.0(4) . . ?
C61 Cu35 C98 122.7(4) . . ?
C61 Cu35 Cu47 49.8(3) . . ?
C61 Cu35 Cu4 43.4(3) . . ?
C61 Cu35 Cu10 158.0(3) . . ?
C61 Cu35 Cu31 142.9(3) . . ?
C61 Cu35 O9 108.0(4) . . ?
C97 Cu35 C98 34.0(4) . . ?
C97 Cu35 Cu47 156.8(3) . . ?
C97 Cu35 Cu4 127.9(3) . . ?
C97 Cu35 Cu10 43.4(3) . . ?
C97 Cu35 Cu31 44.5(3) . . ?
C98 Cu35 Cu47 142.7(3) . . ?
C98 Cu35 Cu4 129.9(3) . . ?
C98 Cu35 Cu10 76.2(3) . . ?
C98 Cu35 Cu31 45.4(3) . . ?
Cu47 Cu35 Cu4 73.40(8) . . ?
Cu47 Cu35 Cu10 123.01(7) . . ?
Cu47 Cu35 Cu31 113.98(8) . . ?
Cu4 Cu35 Cu31 172.30(8) . . ?
Cu10 Cu35 Cu4 116.99(7) . . ?
Cu10 Cu35 Cu31 57.69(4) . . ?
CU97 Cu35 C61 60.9(6) . . ?
CU97 Cu35 C97 141.5(7) . . ?
CU97 Cu35 C98 127.7(7) . . ?
CU97 Cu35 Cu10 118.7(5) . . ?
CU97 Cu35 Cu31 97.5(6) . . ?
CU97 Cu35 O9 75.3(5) . . ?
O9 Cu35 C97 97.8(3) . . ?
O9 Cu35 C98 129.3(3) . . ?
O9 Cu35 Cu47 71.71(19) . . ?
O9 Cu35 Cu4 87.15(19) . . ?
O9 Cu35 Cu10 54.50(18) . . ?
O9 Cu35 Cu31 93.11(19) . . ?
C19 Cu36 C31 117.1(4) . . ?
C19 Cu36 C91 136.4(5) . . ?
C19 Cu36 C92 110.9(5) . . ?
C19 Cu36 Cu11 114.2(3) . . ?
C19 Cu36 Cu20 102.0(3) . . ?
C19 Cu36 Cu25 49.5(3) . . ?
C19 Cu36 Cu31 153.9(3) . . ?
C19 Cu36 Cu44 48.6(3) . . ?
C31 Cu36 C92 126.0(4) . . ?
C31 Cu36 Cu11 45.1(3) . . ?
C31 Cu36 Cu20 128.9(3) . . ?
C31 Cu36 Cu25 127.7(3) . . ?
C31 Cu36 Cu31 78.5(3) . . ?
C31 Cu36 Cu44 78.0(3) . . ?
C91 Cu36 C31 106.2(4) . . ?
C91 Cu36 C92 29.2(4) . . ?
C91 Cu36 Cu11 99.8(3) . . ?
C91 Cu36 Cu20 49.4(3) . . ?
C91 Cu36 Cu25 107.1(3) . . ?
C91 Cu36 Cu31 39.3(3) . . ?
C91 Cu36 Cu44 156.4(3) . . ?
C92 Cu36 Cu11 129.0(3) . . ?
C92 Cu36 Cu20 57.6(3) . . ?
C92 Cu36 Cu25 101.9(3) . . ?
C92 Cu36 Cu31 68.5(3) . . ?
C92 Cu36 Cu44 156.0(3) . . ?
Cu11 Cu36 Cu20 90.35(5) . . ?
Cu11 Cu36 Cu25 90.12(5) . . ?
Cu11 Cu36 Cu31 60.52(4) . . ?
Cu11 Cu36 Cu44 66.22(5) . . ?
Cu20 Cu36 Cu31 54.46(5) . . ?
Cu25 Cu36 Cu20 58.73(5) . . ?
Cu25 Cu36 Cu31 104.44(6) . . ?
Cu25 Cu36 Cu44 56.33(5) . . ?
Cu44 Cu36 Cu20 109.62(6) . . ?
Cu44 Cu36 Cu31 123.12(6) . . ?
C133 Cu37 C134 36.1(4) . . ?
C133 Cu37 O11 108.9(3) . . ?
C133 Cu37 V2 97.0(3) . . ?
C134 Cu37 O11 144.9(3) . . ?
C134 Cu37 V2 124.2(3) . . ?
O11 Cu37 V2 33.82(17) . . ?
O15 Cu37 C133 151.8(4) . . ?
O15 Cu37 C134 115.7(4) . . ?
O15 Cu37 O11 99.2(3) . . ?
O15 Cu37 V2 105.9(3) . . ?
C37 Cu38 C38 29.1(4) . . ?
C37 Cu38 Cu8 44.7(3) . . ?
C37 Cu38 Cu10 96.1(3) . . ?
C37 Cu38 Cu14 151.7(3) . . ?
C37 Cu38 Cu17 141.3(3) . . ?
C37 Cu38 Cu46 102.4(3) . . ?
C38 Cu38 Cu8 73.6(3) . . ?
C38 Cu38 Cu10 122.9(3) . . ?
C38 Cu38 Cu14 144.8(3) . . ?
C38 Cu38 Cu17 146.9(3) . . ?
C38 Cu38 Cu46 123.8(3) . . ?
C43 Cu38 C37 148.9(4) . . ?
C43 Cu38 C38 121.2(4) . . ?
C43 Cu38 Cu8 163.8(3) . . ?
C43 Cu38 Cu10 105.6(3) . . ?
C43 Cu38 Cu14 52.4(3) . . ?
C43 Cu38 Cu17 50.9(3) . . ?
C43 Cu38 Cu46 107.7(3) . . ?
Cu8 Cu38 Cu10 58.39(4) . . ?
Cu8 Cu38 Cu46 63.59(4) . . ?
Cu14 Cu38 Cu8 120.27(6) . . ?
Cu14 Cu38 Cu10 89.16(5) . . ?
Cu14 Cu38 Cu17 62.04(5) . . ?
Cu14 Cu38 Cu46 56.71(5) . . ?
Cu17 Cu38 Cu8 113.24(6) . . ?
Cu17 Cu38 Cu10 54.89(4) . . ?
Cu17 Cu38 Cu46 85.43(5) . . ?
Cu46 Cu38 Cu10 60.02(4) . . ?
C109 Cu39 C145 169.2(4) . . ?
C109 Cu39 C146 143.8(4) . . ?
C109 Cu39 Cu21 48.7(3) . . ?
C109 Cu39 Cu26 130.4(3) . . ?
C109 Cu39 Cu27 48.8(3) . . ?
C145 Cu39 C146 32.0(4) . . ?
C145 Cu39 Cu21 133.7(3) . . ?
C145 Cu39 Cu26 45.9(3) . . ?
C145 Cu39 Cu27 138.6(3) . . ?
C146 Cu39 Cu21 164.9(3) . . ?
C146 Cu39 Cu26 74.8(3) . . ?
C146 Cu39 Cu27 115.5(3) . . ?
Cu21 Cu39 Cu26 90.19(6) . . ?
Cu21 Cu39 Cu27 79.06(6) . . ?
Cu27 Cu39 Cu26 163.23(7) . . ?
C7 Cu40 C8 32.1(7) . . ?
C7 Cu40 Cu5 99.8(3) . . ?
C7 Cu40 Cu7 98.1(3) . . ?
C7 Cu40 Cu18 157.4(3) . . ?
C7 Cu40 Cu22 44.6(3) . . ?
C7 Cu40 Cu29 46.1(3) . . ?
C8 Cu40 Cu5 129.8(7) . . ?
C8 Cu40 Cu7 118.3(6) . . ?
C8 Cu40 Cu18 163.2(6) . . ?
C8 Cu40 Cu22 67.6(7) . . ?
C8 Cu40 Cu29 75.6(7) . . ?
C79 Cu40 C7 157.8(5) . . ?
C79 Cu40 C8 127.1(8) . . ?
C79 Cu40 Cu5 96.2(3) . . ?
C79 Cu40 Cu7 102.5(3) . . ?
C79 Cu40 Cu18 44.8(3) . . ?
C79 Cu40 Cu22 153.5(3) . . ?
C79 Cu40 Cu29 143.5(3) . . ?
Cu5 Cu40 Cu7 65.55(4) . . ?
Cu5 Cu40 Cu22 84.78(5) . . ?
Cu7 Cu40 Cu22 53.75(4) . . ?
Cu18 Cu40 Cu5 66.28(5) . . ?
Cu18 Cu40 Cu7 60.31(4) . . ?
Cu18 Cu40 Cu22 114.02(6) . . ?
Cu18 Cu40 Cu29 119.70(6) . . ?
Cu29 Cu40 Cu5 54.29(5) . . ?
Cu29 Cu40 Cu7 85.27(5) . . ?
Cu29 Cu40 Cu22 55.10(5) . . ?
C121 Cu41 C127 148.5(4) . . ?
C121 Cu41 C128 118.3(4) . . ?
C121 Cu41 Cu5 108.2(3) . . ?
C121 Cu41 Cu16 103.9(3) . . ?
C121 Cu41 Cu29 53.1(3) . . ?
C121 Cu41 Cu30 50.1(3) . . ?
C121 Cu41 Cu42 162.8(3) . . ?
C127 Cu41 C128 33.1(4) . . ?
C127 Cu41 Cu5 102.9(3) . . ?
C127 Cu41 Cu16 96.1(3) . . ?
C127 Cu41 Cu29 153.7(3) . . ?
C127 Cu41 Cu30 139.0(3) . . ?
C127 Cu41 Cu42 44.4(3) . . ?
C128 Cu41 Cu5 125.7(3) . . ?
C128 Cu41 Cu16 127.3(3) . . ?
C128 Cu41 Cu29 143.6(3) . . ?
C128 Cu41 Cu30 145.7(3) . . ?
C128 Cu41 Cu42 76.9(3) . . ?
Cu5 Cu41 Cu16 59.23(4) . . ?
Cu29 Cu41 Cu5 56.49(5) . . ?
Cu29 Cu41 Cu16 86.78(5) . . ?
Cu29 Cu41 Cu30 61.73(5) . . ?
Cu29 Cu41 Cu42 120.19(6) . . ?
Cu30 Cu41 Cu5 86.13(5) . . ?
Cu30 Cu41 Cu16 54.20(4) . . ?
Cu30 Cu41 Cu42 112.89(6) . . ?
Cu42 Cu41 Cu5 63.80(4) . . ?
Cu42 Cu41 Cu16 58.89(4) . . ?
C127 Cu42 Cu5 102.3(3) . . ?
C127 Cu42 Cu10 142.2(3) . . ?
C127 Cu42 Cu16 103.9(3) . . ?
C127 Cu42 Cu19 56.1(3) . . ?
C127 Cu42 Cu33 65.2(3) . . ?
C127 Cu42 Cu41 48.5(3) . . ?
C127 Cu42 Cu46 124.1(3) . . ?
C127 Cu42 O11 93.5(3) . . ?
Cu5 Cu42 Cu10 112.09(5) . . ?
Cu5 Cu42 Cu46 112.10(5) . . ?
Cu10 Cu42 Cu46 56.05(4) . . ?
Cu16 Cu42 Cu5 59.26(4) . . ?
Cu16 Cu42 Cu10 106.82(5) . . ?
Cu16 Cu42 Cu46 63.17(4) . . ?
Cu19 Cu42 Cu5 158.22(6) . . ?
Cu19 Cu42 Cu10 88.11(5) . . ?
Cu19 Cu42 Cu16 124.26(6) . . ?
Cu19 Cu42 Cu33 60.15(5) . . ?
Cu19 Cu42 Cu41 101.58(6) . . ?
Cu19 Cu42 Cu46 85.53(5) . . ?
Cu33 Cu42 Cu5 116.44(6) . . ?
Cu33 Cu42 Cu10 109.91(5) . . ?
Cu33 Cu42 Cu16 64.29(5) . . ?
Cu33 Cu42 Cu41 71.61(5) . . ?
Cu33 Cu42 Cu46 60.40(4) . . ?
Cu41 Cu42 Cu5 59.18(5) . . ?
Cu41 Cu42 Cu10 169.14(6) . . ?
Cu41 Cu42 Cu16 63.67(5) . . ?
Cu41 Cu42 Cu46 119.25(6) . . ?
O4 Cu42 C127 162.2(4) . . ?
O4 Cu42 Cu5 87.75(19) . . ?
O4 Cu42 Cu10 38.7(2) . . ?
O4 Cu42 Cu16 68.5(2) . . ?
O4 Cu42 Cu19 113.8(2) . . ?
O4 Cu42 Cu33 97.2(2) . . ?
O4 Cu42 Cu41 131.0(2) . . ?
O4 Cu42 Cu46 38.16(19) . . ?
O4 Cu42 O11 103.3(3) . . ?
O11 Cu42 Cu5 75.45(17) . . ?
O11 Cu42 Cu10 80.82(17) . . ?
O11 Cu42 Cu16 133.80(17) . . ?
O11 Cu42 Cu19 101.07(17) . . ?
O11 Cu42 Cu33 156.83(17) . . ?
O11 Cu42 Cu41 101.84(18) . . ?
O11 Cu42 Cu46 136.29(18) . . ?
C73 Cu43 C74 36.0(5) . . ?
C73 Cu43 Cu3 48.3(4) . . ?
C73 Cu43 O10 101.4(4) . . ?
C74 Cu43 Cu3 77.7(4) . . ?
C74 Cu43 O10 136.4(4) . . ?
O10 Cu43 Cu3 59.94(19) . . ?
O14 Cu43 C73 164.3(5) . . ?
O14 Cu43 C74 128.3(5) . . ?
O14 Cu43 Cu3 142.3(4) . . ?
O14 Cu43 O10 94.0(4) . . ?
C19 Cu44 Cu6 108.6(3) . . ?
C19 Cu44 Cu9 167.5(3) . . ?
C19 Cu44 Cu11 104.4(3) . . ?
C19 Cu44 Cu25 52.0(3) . . ?
C19 Cu44 Cu36 48.7(3) . . ?
C25 Cu44 C19 140.8(4) . . ?
C25 Cu44 Cu6 110.5(3) . . ?
C25 Cu44 Cu9 47.9(3) . . ?
C25 Cu44 Cu11 90.7(3) . . ?
C25 Cu44 Cu25 166.9(3) . . ?
C25 Cu44 Cu36 127.1(3) . . ?
Cu6 Cu44 Cu11 63.50(5) . . ?
Cu6 Cu44 Cu36 91.36(6) . . ?
Cu9 Cu44 Cu6 63.13(5) . . ?
Cu9 Cu44 Cu11 63.87(5) . . ?
Cu9 Cu44 Cu36 120.04(7) . . ?
Cu25 Cu44 Cu6 57.14(5) . . ?
Cu25 Cu44 Cu9 120.22(7) . . ?
Cu25 Cu44 Cu11 87.05(6) . . ?
Cu25 Cu44 Cu36 61.26(5) . . ?
Cu36 Cu44 Cu11 56.23(5) . . ?
C151 Cu45 C152 35.4(4) . . ?
C151 Cu45 Cu7 96.1(3) . . ?
C151 Cu45 Cu9 140.9(3) . . ?
C151 Cu45 Cu18 125.5(3) . . ?
C151 Cu45 Cu28 44.1(3) . . ?
C151 Cu45 O5 102.5(3) . . ?
C152 Cu45 Cu7 108.3(3) . . ?
C152 Cu45 Cu9 108.4(3) . . ?
C152 Cu45 Cu18 103.7(3) . . ?
C152 Cu45 Cu28 75.7(3) . . ?
C152 Cu45 O5 131.9(3) . . ?
Cu7 Cu45 Cu9 114.89(5) . . ?
Cu7 Cu45 Cu18 56.89(4) . . ?
Cu18 Cu45 Cu9 63.28(4) . . ?
Cu28 Cu45 Cu7 60.06(4) . . ?
Cu28 Cu45 Cu9 174.66(6) . . ?
Cu28 Cu45 Cu18 112.78(5) . . ?
O2 Cu45 C151 162.6(4) . . ?
O2 Cu45 C152 129.6(3) . . ?
O2 Cu45 Cu7 80.26(19) . . ?
O2 Cu45 Cu9 35.36(18) . . ?
O2 Cu45 Cu18 39.00(19) . . ?
O2 Cu45 Cu28 139.32(19) . . ?
O2 Cu45 O5 94.8(2) . . ?
O5 Cu45 Cu7 94.84(17) . . ?
O5 Cu45 Cu9 98.26(17) . . ?
O5 Cu45 Cu18 124.08(17) . . ?
O5 Cu45 Cu28 80.91(17) . . ?
C103 Cu46 Cu8 99.9(3) . . ?
C103 Cu46 Cu10 127.4(3) . . ?
C103 Cu46 Cu12 40.8(3) . . ?
C103 Cu46 Cu14 55.1(3) . . ?
C103 Cu46 Cu16 126.0(3) . . ?
C103 Cu46 Cu33 88.8(3) . . ?
C103 Cu46 Cu38 67.1(3) . . ?
C103 Cu46 Cu42 137.5(3) . . ?
C103 Cu46 O4 168.9(3) . . ?
C103 Cu46 O8 99.1(3) . . ?
Cu8 Cu46 Cu12 68.89(4) . . ?
Cu8 Cu46 Cu16 121.97(5) . . ?
Cu8 Cu46 Cu42 113.74(5) . . ?
Cu10 Cu46 Cu8 56.64(4) . . ?
Cu10 Cu46 Cu12 120.71(5) . . ?
Cu10 Cu46 Cu16 104.85(5) . . ?
Cu10 Cu46 Cu33 109.17(5) . . ?
Cu10 Cu46 Cu42 61.86(4) . . ?
Cu14 Cu46 Cu8 114.50(5) . . ?
Cu14 Cu46 Cu10 89.97(5) . . ?
Cu14 Cu46 Cu12 92.61(5) . . ?
Cu14 Cu46 Cu16 120.28(5) . . ?
Cu14 Cu46 Cu33 61.77(5) . . ?
Cu14 Cu46 Cu38 57.32(5) . . ?
Cu14 Cu46 Cu42 86.65(5) . . ?
Cu16 Cu46 Cu12 123.67(5) . . ?
Cu33 Cu46 Cu8 165.81(6) . . ?
Cu33 Cu46 Cu12 123.74(5) . . ?
Cu33 Cu46 Cu16 58.69(4) . . ?
Cu33 Cu46 Cu42 53.71(4) . . ?
Cu38 Cu46 Cu8 57.20(4) . . ?
Cu38 Cu46 Cu10 60.75(4) . . ?
Cu38 Cu46 Cu12 71.65(5) . . ?
Cu38 Cu46 Cu16 164.30(6) . . ?
Cu38 Cu46 Cu33 117.74(5) . . ?
Cu38 Cu46 Cu42 109.96(5) . . ?
Cu42 Cu46 Cu12 177.34(5) . . ?
Cu42 Cu46 Cu16 54.87(4) . . ?
O4 Cu46 Cu8 78.8(2) . . ?
O4 Cu46 Cu10 42.9(2) . . ?
O4 Cu46 Cu12 144.21(19) . . ?
O4 Cu46 Cu14 115.13(19) . . ?
O4 Cu46 Cu16 62.3(2) . . ?
O4 Cu46 Cu33 90.4(2) . . ?
O4 Cu46 Cu38 103.6(2) . . ?
O4 Cu46 Cu42 37.97(19) . . ?
O4 Cu46 O8 92.0(2) . . ?
O8 Cu46 Cu8 94.63(16) . . ?
O8 Cu46 Cu10 126.47(16) . . ?
O8 Cu46 Cu12 76.13(15) . . ?
O8 Cu46 Cu14 142.76(16) . . ?
O8 Cu46 Cu16 49.52(15) . . ?
O8 Cu46 Cu33 94.96(16) . . ?
O8 Cu46 Cu38 143.08(16) . . ?
O8 Cu46 Cu42 102.97(15) . . ?
C31 CU97 C32 29.5(5) . . ?
C31 CU97 Cu11 45.3(4) . . ?
C31 CU97 O9 100.8(6) . . ?
C32 CU97 Cu11 74.9(5) . . ?
C61 CU97 C31 154.2(9) . . ?
C61 CU97 C32 125.2(8) . . ?
C61 CU97 Cu11 158.7(8) . . ?
C61 CU97 O9 104.9(8) . . ?
Cu35 CU97 C31 122.1(10) . . ?
Cu35 CU97 C32 135.1(11) . . ?
Cu35 CU97 C61 70.2(6) . . ?
Cu35 CU97 Cu11 90.6(6) . . ?
Cu35 CU97 O9 61.1(5) . . ?
O9 CU97 C32 129.9(7) . . ?
O9 CU97 Cu11 56.1(3) . . ?
C25 Cu2A Cu3 152.6(7) . . ?
C25 Cu2A Cu9 42.2(4) . . ?
C26 Cu2A C25 33.7(5) . . ?
C26 Cu2A Cu3 159.8(11) . . ?
C26 Cu2A Cu9 72.9(6) . . ?
C67 Cu2A C25 150.3(13) . . ?
C67 Cu2A C26 144.4(10) . . ?
C67 Cu2A Cu3 45.9(7) . . ?
C67 Cu2A Cu9 134.9(11) . . ?
Cu9 Cu2A Cu3 110.6(6) . . ?
C61 Cu4A C62 38.7(7) . . ?
C61 Cu4A O10 108.5(11) . . ?
C62 Cu4A O10 146.4(13) . . ?
Cu5 O1 Cu1 113.1(3) . . ?
Cu5 O1 Cu16 95.4(3) . . ?
Cu7 O1 Cu1 124.0(3) . . ?
Cu7 O1 Cu5 107.9(3) . . ?
Cu7 O1 Cu16 104.0(3) . . ?
Cu16 O1 Cu1 108.0(3) . . ?
Cu9 O2 Cu1 117.0(3) . . ?
Cu9 O2 Cu18 114.7(3) . . ?
Cu9 O2 Cu45 107.4(3) . . ?
Cu18 O2 Cu1 106.1(3) . . ?
Cu18 O2 Cu45 100.9(3) . . ?
Cu45 O2 Cu1 109.6(3) . . ?
Cu6 O3 Cu1 107.5(3) . . ?
Cu6 O3 Cu8 102.4(3) . . ?
Cu6 O3 Cu11 101.6(3) . . ?
Cu8 O3 Cu1 122.3(3) . . ?
Cu11 O3 Cu1 114.1(3) . . ?
Cu11 O3 Cu8 106.4(3) . . ?
Cu10 O4 Cu1 108.3(3) . . ?
Cu42 O4 Cu1 125.0(3) . . ?
Cu42 O4 Cu10 103.1(3) . . ?
Cu42 O4 Cu46 103.9(3) . . ?
Cu46 O4 Cu1 116.9(3) . . ?
Cu46 O4 Cu10 94.6(3) . . ?
Cu15 O5 Cu6 77.2(2) . . ?
Cu15 O5 Cu45 91.2(2) . . ?
Cu45 O5 Cu6 87.9(2) . . ?
V1 O5 Cu6 112.2(3) . . ?
V1 O5 Cu15 114.3(3) . . ?
V1 O5 Cu45 149.9(4) . . ?
Cu12 O6 Cu8 101.6(3) . . ?
Cu12 O6 Cu13 103.5(3) . . ?
Cu13 O6 Cu8 104.0(3) . . ?
V1 O6 Cu8 116.4(3) . . ?
V1 O6 Cu12 107.2(3) . . ?
V1 O6 Cu13 121.7(3) . . ?
Cu27 O7 Cu34 112.8(3) . . ?
V1 O7 Cu27 121.0(3) . . ?
V1 O7 Cu34 109.4(3) . . ?
Cu16 O8 Cu46 80.3(2) . . ?
Cu21 O8 Cu16 75.5(2) . . ?
Cu21 O8 Cu46 101.1(2) . . ?
V1 O8 Cu16 147.7(3) . . ?
V1 O8 Cu21 129.9(3) . . ?
V1 O8 Cu46 108.5(3) . . ?
Cu10 O9 Cu11 83.0(2) . . ?
Cu10 O9 CU97 112.7(5) . . ?
Cu35 O9 Cu10 78.0(2) . . ?
Cu35 O9 Cu11 89.8(2) . . ?
Cu35 O9 CU97 43.6(4) . . ?
CU97 O9 Cu11 69.6(5) . . ?
V2 O9 Cu10 115.9(3) . . ?
V2 O9 Cu11 147.5(4) . . ?
V2 O9 Cu35 118.9(3) . . ?
V2 O9 CU97 119.9(6) . . ?
Cu4 O10 Cu3 134.9(3) . . ?
Cu43 O10 Cu3 71.8(2) . . ?
Cu43 O10 Cu4 110.8(3) . . ?
Cu4A O10 Cu3 117.0(7) . . ?
Cu4A O10 Cu43 105.2(6) . . ?
V2 O10 Cu3 105.3(3) . . ?
V2 O10 Cu4 109.0(3) . . ?
V2 O10 Cu43 122.9(4) . . ?
V2 O10 Cu4A 123.7(6) . . ?
Cu24 O11 Cu37 106.6(3) . . ?
Cu24 O11 Cu42 104.0(3) . . ?
Cu37 O11 Cu42 105.9(3) . . ?
V2 O11 Cu24 122.1(3) . . ?
V2 O11 Cu37 104.4(3) . . ?
V2 O11 Cu42 112.8(3) . . ?
Cu32 O12 Cu5 109.3(3) . . ?
V2 O12 Cu5 109.5(3) . . ?
V2 O12 Cu32 129.0(3) . . ?
Cu4 O13 Cu24 95.8(3) . . ?
P1 O13 Cu4 118.9(5) . . ?
P1 O13 Cu24 121.6(5) . . ?
P1 O14 Cu43 124.2(6) . . ?
P1 O15 Cu37 130.7(7) . . ?
Cu34 O16 Cu13 98.9(3) . . ?
P2 O16 Cu13 117.8(4) . . ?
P2 O16 Cu34 120.5(4) . . ?
P2 O17 Cu12 127.4(5) . . ?
P2 O18 Cu27 122.8(5) . . ?
C174 O20 C175 119(3) . . ?
O13 P1 C163 111.9(5) . . ?
O14 P1 C163 103.8(6) . . ?
O14 P1 O13 111.4(6) . . ?
O15 P1 C163 106.7(6) . . ?
O15 P1 O13 110.1(5) . . ?
O15 P1 O14 112.8(7) . . ?
O16 P2 C167 108.4(5) . . ?
O17 P2 C167 107.9(5) . . ?
O17 P2 O16 108.6(4) . . ?
O18 P2 C167 104.7(5) . . ?
O18 P2 O16 111.3(5) . . ?
O18 P2 O17 115.6(5) . . ?
O5 V1 O6 108.4(3) . . ?
O7 V1 O5 109.6(3) . . ?
O7 V1 O6 107.9(3) . . ?
O7 V1 O8 109.5(3) . . ?
O8 V1 O5 111.6(3) . . ?
O8 V1 O6 109.8(3) . . ?
O9 V2 Cu37 151.3(2) . . ?
O9 V2 O11 110.0(3) . . ?
O10 V2 Cu37 90.7(2) . . ?
O10 V2 O9 107.7(3) . . ?
O10 V2 O11 108.5(3) . . ?
O10 V2 O12 108.3(3) . . ?
O11 V2 Cu37 41.8(2) . . ?
O12 V2 Cu37 80.7(2) . . ?
O12 V2 O9 112.5(3) . . ?
O12 V2 O11 109.6(3) . . ?
C179 O21 C178 153(6) . . ?
O21 C178 C177 146(4) . . ?
O21 C179 C180 164(9) . . ?
C280 C179 O21 122(8) . . ?
C280 C179 C180 71(5) . . ?
C179 C180 C280 47(4) . . ?
Cl3 C172 Cl4 120.1(18) . . ?
C179 C280 C180 62(5) . . ?
C179 C280 C279 103(6) . . ?
C279 C280 C180 163(7) . . ?

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

data_phosphate
_database_code_depnum_ccdc_archive 'CCDC 1907707'
loop_
_audit_author_name
_audit_author_address
'Leon Li-Min Zhang'
;The Chinese University of Hong Kong
China
;
_audit_update_record             
;
2019-04-03 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-04-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C3 H9 Cu O4 P'
_chemical_formula_sum            'C3 H9 Cu O4 P'
_chemical_formula_weight         203.6209
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
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                   11.9726(15)
_cell_length_b                   7.5977(10)
_cell_length_c                   7.4217(9)
_cell_angle_alpha                90
_cell_angle_beta                 97.625(4)
_cell_angle_gamma                90
_cell_volume                     669.14(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9933
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.97
_cell_measurement_theta_min      3.18
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.443
_exptl_absorpt_correction_T_max  0.871
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1004 before and 0.0630 after correction.
The Ratio of minimum to maximum transmission is 0.7531.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.001
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             404.0
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            11613
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.984
_diffrn_reflns_theta_min         3.184
_diffrn_ambient_temperature      296.54
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1388
_reflns_number_total             1448
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         4.816
_refine_diff_density_min         -3.139
_refine_diff_density_rms         0.400
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.210
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     83
_refine_ls_number_reflns         1448
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1189
_refine_ls_R_factor_gt           0.1177
_refine_ls_restrained_S_all      1.211
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+67.9254P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3083
_refine_ls_wR_factor_ref         0.3087
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O3) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C1(H1B,H1A), C2(H2A,H2B)
3.b Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.46639(16) 0.1900(2) 0.0559(2) 0.0131(6) Uani 1 1 d . . . A 1
P1 P 0.3672(3) 0.5503(5) 0.1293(5) 0.0114(8) Uani 1 1 d . . . A 1
O4 O 0.3728(9) 0.3971(13) 0.0000(14) 0.016(2) Uani 1 1 d . . . A 1
O1 O 0.3375(10) 0.0629(15) 0.1367(15) 0.020(2) Uani 1 1 d . . . A 1
O3 O 0.5964(10) 0.2751(15) -0.0472(15) 0.020(2) Uani 1 1 d . U . A 1
O2 O 0.5646(9) 0.0075(14) 0.1867(14) 0.018(2) Uani 1 1 d . . . A 1
C1 C 0.2224(14) 0.580(2) 0.163(2) 0.022(3) Uani 1 1 d . . . A 1
H1B H 0.219034 0.670511 0.254463 0.026 Uiso 1 1 calc R . . A 1
H1A H 0.180812 0.623028 0.050502 0.026 Uiso 1 1 calc R . . A 1
C2 C 0.1647(16) 0.419(3) 0.220(3) 0.032(4) Uani 1 1 d . . . A 1
H2A H 0.211806 0.365878 0.322201 0.038 Uiso 1 1 calc R . . A 1
H2B H 0.157187 0.335327 0.121000 0.038 Uiso 1 1 calc R . . A 1
C3 C 0.050(2) 0.454(4) 0.274(5) 0.072(9) Uani 1 1 d . . . A 1
H3A H 0.056709 0.534187 0.375013 0.108 Uiso 1 1 calc GR . . A 1
H3B H 0.018093 0.344960 0.309478 0.108 Uiso 1 1 calc GR . . A 1
H3C H 0.002036 0.503706 0.173569 0.108 Uiso 1 1 calc GR . . A 1


_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 O4 1.944(11) . ?
Cu1 O1 1.979(11) . ?
Cu1 O3 1.935(11) . ?
Cu1 O2 2.336(10) 3_655 ?
Cu1 O2 1.986(11) . ?
P1 O4 1.516(10) . ?
P1 O3 1.546(11) 3_665 ?
P1 O2 1.530(11) 2_655 ?
P1 C1 1.799(17) . ?
C1 C2 1.49(2) . ?
C2 C3 1.50(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
O4 Cu1 O1 90.5(5) . . ?
O4 Cu1 O2 109.1(4) . 3_655 ?
O4 Cu1 O2 163.0(4) . . ?
O1 Cu1 O2 86.9(5) . . ?
O1 Cu1 O2 82.5(4) . 3_655 ?
O3 Cu1 O4 96.7(5) . . ?
O3 Cu1 O1 169.5(5) . . ?
O3 Cu1 O2 88.3(5) . . ?
O3 Cu1 O2 87.9(5) . 3_655 ?
O2 Cu1 O2 87.2(4) . 3_655 ?
O4 P1 O3 111.8(6) . 3_665 ?
O4 P1 O2 109.8(6) . 2_655 ?
O4 P1 C1 108.0(7) . . ?
O3 P1 C1 105.9(7) 3_665 . ?
O2 P1 O3 112.9(6) 2_655 3_665 ?
O2 P1 C1 108.2(7) 2_655 . ?
P1 O4 Cu1 124.0(6) . . ?
P1 O3 Cu1 136.6(7) 3_665 . ?
Cu1 O2 Cu1 92.8(4) . 3_655 ?
P1 O2 Cu1 119.9(6) 2_645 . ?
P1 O2 Cu1 146.7(7) 2_645 3_655 ?
C2 C1 P1 115.3(12) . . ?
C1 C2 C3 114.0(18) . . ?

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

data_3
_database_code_depnum_ccdc_archive 'CCDC 1907667'
loop_
_audit_author_name
_audit_author_address
'Leon Li-Min Zhang'
;The Chinese University of Hong Kong
China
;
_audit_update_record             
;
2019-04-03 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         C165H231Cl4Cu48O22
_chemical_formula_sum            C165H231Cl4Cu48O22
_chemical_formula_weight         5758.6052
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   56.4611(18)
_cell_length_b                   19.3733(7)
_cell_length_c                   38.1762(13)
_cell_angle_alpha                90
_cell_angle_beta                 96.377(2)
_cell_angle_gamma                90
_cell_volume                     41500(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9912
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.23
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.898
_exptl_absorpt_correction_T_max  0.822
_exptl_absorpt_correction_T_min  0.669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1326 before and 0.0547 after correction.
The Ratio of minimum to maximum transmission is 0.7277.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown-black
_exptl_crystal_density_diffrn    1.833
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             22656.0
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0750
_diffrn_reflns_av_unetI/netI     0.0750
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_number            37955
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         1.573
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                23795
_reflns_number_total             37955
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         3.274
_refine_diff_density_min         -1.504
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2235
_refine_ls_number_reflns         37955
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.1081
_refine_ls_R_factor_gt           0.0610
_refine_ls_restrained_S_all      1.342
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1110P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1734
_refine_ls_wR_factor_ref         0.1936
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C143-C144 = C143-C145
 1.53 with sigma of 0.002
 C144-C145
 2.45 with sigma of 0.002
 C164-C165
 1.53 with sigma of 0.002
 C143-C144 \\sim C943-C944
 with sigma of 0.02
 C143-C145 \\sim C943-C945
 with sigma of 0.02
 C144-C145 \\sim C944-C945
 with sigma of 0.02
3. Rigid bond restraints
 C73, C74
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C164, C166
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C53) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C118)
\\sim Ueq, Uanis(C139) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(C143) \\sim Ueq, Uanis(C144) \\sim Ueq, Uanis(C145) \\sim Ueq: with sigma
of 0.002 and sigma for terminal atoms of 0.001
Uanis(C143) = Uanis(C943)
Uanis(C144) = Uanis(C944)
Uanis(C145) = Uanis(C945)
Uiso(C140) = Uiso(C940)
5. Others
 Sof(Cu98)=1-FVAR(1)
 Sof(Cu48)=FVAR(1)
 Sof(Cu90)=1-FVAR(2)
 Sof(Cu40)=FVAR(2)
 Sof(C943)=Sof(C944)=Sof(C945)=1-FVAR(3)
 Sof(C143)=Sof(C144)=Sof(C145)=FVAR(3)
 Sof(C940)=1-FVAR(4)
 Sof(C140)=FVAR(4)
6.a Ternary CH refined with riding coordinates:
 C3(H3), C8(H8), C13(H13), C18(H18), C23(H23), C28(H28), C33(H33), C38(H38),
 C43(H43), C48(H48), C53(H53), C58(H58), C63(H63), C68(H68), C73(H73), C78(H78),
  C83(H83), C88(H88), C93(H93), C98(H98), C103(H103), C108(H108), C113(H113),
 C123(H123), C128(H128), C133(H133), C149(H149), C154(H154), C159(H159),
 C164(H164), C118(H118)
6.b Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C39(H39A,H39B,H39C),
 C40(H40A,H40B,H40C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C49(H49A,H49B,
 H49C), C50(H50A,H50B,H50C), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C59(H59A,
 H59B,H59C), C60(H60A,H60B,H60C), C64(H64A,H64B,H64C), C65(H65A,H65B,H65C),
 C69(H69A,H69B,H69C), C70(H70A,H70B,H70C), C74(H74A,H74B,H74C), C75(H75A,H75B,
 H75C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C), C84(H84A,H84B,H84C), C89(H89A,
 H89B,H89C), C90(H90A,H90B,H90C), C94(H94A,H94B,H94C), C95(H95A,H95B,H95C),
 C99(H99A,H99B,H99C), C100(H10D,H10E,H10F), C104(H10G,H10H,H10I), C105(H10J,
 H10K,H10L), C109(H10M,H10N,H10O), C110(H11A,H11B,H11C), C114(H11D,H11E,H11F),
 C115(H11G,H11H,H11I), C119(H11J,H11K,H11L), C120(H12A,H12B,H12C), C124(H12D,
 H12E,H12F), C125(H12G,H12H,H12I), C129(H12J,H12K,H12L), C130(H13A,H13B,H13C),
 C134(H13D,H13E,H13F), C135(H13G,H13H,H13I), C150(H15D,H15E,H15F), C151(H15G,
 H15H,H15I), C155(H15J,H15K,H15L), C156(H15M,H15N,H15O), C160(H16A,H16B,H16C),
 C161(H16D,H16E,H16F), C166(H16G,H16H,H16I), C85(H85A,H85B,H85C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C140 C 0.269260 -0.037680 0.666680 0.29(3) Uiso 0.79(4) 1 d . U P A 1
C940 C 0.261800 -0.062300 0.632400 0.285(8) Uiso 0.21(4) 1 d . . P A 2
C143 C 0.175000 -0.135600 0.751500 0.046(8) Uani 0.361(13) 1 d D U P B 1
C144 C 0.201000 -0.134300 0.768400 0.103(5) Uani 0.361(13) 1 d D U P B 1
C145 C 0.161300 -0.192300 0.733200 0.063(7) Uani 0.361(13) 1 d D U P B 1
C943 C 0.170800 -0.166400 0.745000 0.0456(12) Uani 0.639(13) 1 d D . P B 2
C944 C 0.192100 -0.217800 0.744600 0.1033(8) Uani 0.639(13) 1 d D . P B 2
C945 C 0.150900 -0.208100 0.723400 0.0629(7) Uani 0.639(13) 1 d D . P B 2
C1 C 0.180700 0.196200 0.529070 0.0315(19) Uani 1 1 d . . . . .
C2 C 0.186450 0.219420 0.501380 0.033(2) Uani 1 1 d . . . . .
C3 C 0.199740 0.239790 0.470930 0.052(3) Uani 1 1 d . . . . .
H3 H 0.188272 0.251318 0.450590 0.062 Uiso 1 1 calc R . . . .
C4 C 0.215100 0.176690 0.461470 0.102(6) Uani 1 1 d . . . . .
H4A H 0.226499 0.165638 0.481236 0.153 Uiso 1 1 calc GR . . . .
H4B H 0.223321 0.188041 0.441532 0.153 Uiso 1 1 calc GR . . . .
H4C H 0.204908 0.137663 0.455835 0.153 Uiso 1 1 calc GR . . . .
C5 C 0.214980 0.305400 0.482380 0.101(5) Uani 1 1 d . . . . .
H5A H 0.209323 0.325470 0.502886 0.151 Uiso 1 1 calc GR . . . .
H5B H 0.213547 0.338447 0.463526 0.151 Uiso 1 1 calc GR . . . .
H5C H 0.231391 0.292412 0.487732 0.151 Uiso 1 1 calc GR . . . .
C6 C 0.117820 0.196090 0.504390 0.032(2) Uani 1 1 d . . . . .
C7 C 0.117280 0.194450 0.472870 0.054(3) Uani 1 1 d . . . . .
C8 C 0.118540 0.202770 0.434300 0.102(6) Uani 1 1 d . . . . .
H8 H 0.129609 0.241492 0.433264 0.123 Uiso 1 1 calc R . . . .
C9 C 0.096390 0.229720 0.416000 0.085(5) Uani 1 1 d . . . . .
H9A H 0.099818 0.269104 0.402158 0.127 Uiso 1 1 calc GR . . . .
H9B H 0.085912 0.243120 0.432959 0.127 Uiso 1 1 calc GR . . . .
H9C H 0.088872 0.194661 0.400848 0.127 Uiso 1 1 calc GR . . . .
C10 C 0.131410 0.145440 0.420550 0.121(7) Uani 1 1 d . . . . .
H10A H 0.121406 0.123192 0.401917 0.181 Uiso 1 1 calc GR . . . .
H10B H 0.135786 0.112865 0.439093 0.181 Uiso 1 1 calc GR . . . .
H10C H 0.145520 0.162480 0.411578 0.181 Uiso 1 1 calc GR . . . .
C11 C 0.143590 0.350450 0.485500 0.036(2) Uani 1 1 d . . . . .
C12 C 0.145950 0.367980 0.456280 0.055(3) Uani 1 1 d . . . . .
C13 C 0.149620 0.387440 0.419090 0.099(6) Uani 1 1 d . . . . .
H13 H 0.155360 0.346899 0.407206 0.118 Uiso 1 1 calc R . . . .
C14 C 0.169090 0.444660 0.420920 0.155(9) Uani 1 1 d . . . . .
H14A H 0.171491 0.463151 0.444376 0.233 Uiso 1 1 calc GR . . . .
H14B H 0.164033 0.480863 0.404611 0.233 Uiso 1 1 calc GR . . . .
H14C H 0.183749 0.425239 0.414901 0.233 Uiso 1 1 calc GR . . . .
C15 C 0.125130 0.410760 0.399020 0.108(6) Uani 1 1 d . . . . .
H15A H 0.112343 0.388789 0.409361 0.162 Uiso 1 1 calc GR . . . .
H15B H 0.124494 0.397789 0.374664 0.162 Uiso 1 1 calc GR . . . .
H15C H 0.123587 0.459953 0.400770 0.162 Uiso 1 1 calc GR . . . .
C16 C 0.081250 0.353720 0.505490 0.034(2) Uani 1 1 d . . . . .
C17 C 0.061270 0.362040 0.488740 0.042(2) Uani 1 1 d . . . . .
C18 C 0.039490 0.377340 0.464610 0.046(3) Uani 1 1 d . . . . .
H18 H 0.028658 0.337835 0.464727 0.055 Uiso 1 1 calc R . . . .
C19 C 0.026740 0.440860 0.476130 0.057(3) Uani 1 1 d . . . . .
H19A H 0.027200 0.441053 0.501343 0.085 Uiso 1 1 calc GR . . . .
H19B H 0.010464 0.440236 0.465715 0.085 Uiso 1 1 calc GR . . . .
H19C H 0.034480 0.481532 0.468630 0.085 Uiso 1 1 calc GR . . . .
C20 C 0.046280 0.386580 0.427060 0.084(4) Uani 1 1 d . . . . .
H20A H 0.051170 0.433414 0.423884 0.126 Uiso 1 1 calc GR . . . .
H20B H 0.032765 0.376162 0.410355 0.126 Uiso 1 1 calc GR . . . .
H20C H 0.059152 0.355943 0.423456 0.126 Uiso 1 1 calc GR . . . .
C21 C 0.128020 0.486920 0.549590 0.033(2) Uani 1 1 d . . . . .
C22 C 0.123260 0.498380 0.517850 0.039(2) Uani 1 1 d . . . . .
C23 C 0.117870 0.527780 0.481470 0.050(3) Uani 1 1 d . . . . .
H23 H 0.120482 0.492008 0.464159 0.060 Uiso 1 1 calc R . . . .
C24 C 0.135450 0.587580 0.477910 0.088(5) Uani 1 1 d . . . . .
H24A H 0.135448 0.617890 0.497804 0.132 Uiso 1 1 calc GR . . . .
H24B H 0.130668 0.612774 0.456643 0.132 Uiso 1 1 calc GR . . . .
H24C H 0.151183 0.569321 0.477066 0.132 Uiso 1 1 calc GR . . . .
C25 C 0.092720 0.553910 0.474320 0.070(4) Uani 1 1 d . . . . .
H25A H 0.081808 0.517400 0.478170 0.106 Uiso 1 1 calc GR . . . .
H25B H 0.089865 0.569372 0.450331 0.106 Uiso 1 1 calc GR . . . .
H25C H 0.090430 0.591641 0.489894 0.106 Uiso 1 1 calc GR . . . .
C26 C 0.029250 0.336030 0.562790 0.034(2) Uani 1 1 d . . . . .
C27 C 0.007860 0.325490 0.557300 0.042(2) Uani 1 1 d . . . . .
C28 C -0.018400 0.324030 0.547850 0.055(3) Uani 1 1 d . . . . .
H28 H -0.024629 0.277002 0.549193 0.066 Uiso 1 1 calc R . . . .
C29 C -0.030330 0.375250 0.574610 0.099(5) Uani 1 1 d . . . . .
H29A H -0.021410 0.373043 0.597504 0.149 Uiso 1 1 calc GR . . . .
H29B H -0.046482 0.361306 0.576276 0.149 Uiso 1 1 calc GR . . . .
H29C H -0.030154 0.421694 0.565876 0.149 Uiso 1 1 calc GR . . . .
C30 C -0.025160 0.354910 0.511610 0.098(5) Uani 1 1 d . . . . .
H30A H -0.015648 0.395213 0.508862 0.147 Uiso 1 1 calc GR . . . .
H30B H -0.041709 0.367467 0.509134 0.147 Uiso 1 1 calc GR . . . .
H30C H -0.022401 0.321595 0.493895 0.147 Uiso 1 1 calc GR . . . .
C31 C 0.026420 0.153140 0.615350 0.030(2) Uani 1 1 d . . . . .
C32 C 0.008170 0.181820 0.621400 0.034(2) Uani 1 1 d . . . . .
C33 C -0.015380 0.203990 0.632310 0.046(3) Uani 1 1 d . . . . .
H33 H -0.026525 0.213100 0.611263 0.055 Uiso 1 1 calc R . . . .
C34 C -0.011680 0.271810 0.654830 0.086(4) Uani 1 1 d . . . . .
H34A H 0.004126 0.272260 0.667047 0.128 Uiso 1 1 calc GR . . . .
H34B H -0.023121 0.273365 0.671631 0.128 Uiso 1 1 calc GR . . . .
H34C H -0.013785 0.311239 0.639570 0.128 Uiso 1 1 calc GR . . . .
C35 C -0.025240 0.146610 0.653730 0.064(3) Uani 1 1 d . . . . .
H35A H -0.026380 0.104783 0.640163 0.096 Uiso 1 1 calc GR . . . .
H35B H -0.040768 0.159378 0.659513 0.096 Uiso 1 1 calc GR . . . .
H35C H -0.014792 0.139468 0.675027 0.096 Uiso 1 1 calc GR . . . .
C36 C 0.071240 0.073800 0.684060 0.038(2) Uani 1 1 d . . . . .
C37 C 0.061620 0.031880 0.701760 0.036(2) Uani 1 1 d . . . . .
C38 C 0.044940 -0.009860 0.720490 0.055(3) Uani 1 1 d . . . . .
H38 H 0.047286 -0.058737 0.715230 0.066 Uiso 1 1 calc R . . . .
C39 C 0.048750 0.000300 0.760930 0.067(3) Uani 1 1 d . . . . .
H39A H 0.064538 -0.014317 0.769754 0.100 Uiso 1 1 calc GR . . . .
H39B H 0.037278 -0.026669 0.771723 0.100 Uiso 1 1 calc GR . . . .
H39C H 0.046797 0.048188 0.766400 0.100 Uiso 1 1 calc GR . . . .
C40 C 0.018570 0.010750 0.706640 0.106(6) Uani 1 1 d . . . . .
H40A H 0.012135 0.039455 0.723768 0.158 Uiso 1 1 calc GR . . . .
H40B H 0.009055 -0.030199 0.702858 0.158 Uiso 1 1 calc GR . . . .
H40C H 0.018448 0.035556 0.684852 0.158 Uiso 1 1 calc GR . . . .
C41 C 0.119310 -0.048690 0.656760 0.037(2) Uani 1 1 d . . . . .
C42 C 0.107690 -0.099040 0.644940 0.037(2) Uani 1 1 d . . . . .
C43 C 0.090930 -0.156730 0.638070 0.057(3) Uani 1 1 d . . . . .
H43 H 0.080754 -0.145983 0.616261 0.069 Uiso 1 1 calc R . . . .
C44 C 0.074380 -0.162410 0.668000 0.089(5) Uani 1 1 d . . . . .
H44A H 0.083912 -0.163310 0.690443 0.133 Uiso 1 1 calc GR . . . .
H44B H 0.065169 -0.204068 0.665013 0.133 Uiso 1 1 calc GR . . . .
H44C H 0.063862 -0.123352 0.666984 0.133 Uiso 1 1 calc GR . . . .
C45 C 0.104260 -0.224040 0.631630 0.091(5) Uani 1 1 d . . . . .
H45A H 0.119520 -0.213225 0.624180 0.137 Uiso 1 1 calc GR . . . .
H45B H 0.095124 -0.250506 0.613647 0.137 Uiso 1 1 calc GR . . . .
H45C H 0.106451 -0.250377 0.653046 0.137 Uiso 1 1 calc GR . . . .
C46 C 0.117950 -0.033930 0.747770 0.034(2) Uani 1 1 d . . . . .
C47 C 0.113410 -0.079770 0.766620 0.046(3) Uani 1 1 d . . . . .
C48 C 0.109200 -0.137920 0.790230 0.079(4) Uani 1 1 d . . . . .
H48 H 0.124609 -0.158459 0.798878 0.095 Uiso 1 1 calc R . . . .
C49 C 0.097390 -0.109580 0.822450 0.093(5) Uani 1 1 d . . . . .
H49A H 0.086230 -0.073879 0.814697 0.139 Uiso 1 1 calc GR . . . .
H49B H 0.109477 -0.091075 0.839553 0.139 Uiso 1 1 calc GR . . . .
H49C H 0.089206 -0.146374 0.832897 0.139 Uiso 1 1 calc GR . . . .
C50 C 0.094310 -0.191380 0.770920 0.142(9) Uani 1 1 d . . . . .
H50A H 0.078172 -0.175243 0.766630 0.214 Uiso 1 1 calc GR . . . .
H50B H 0.094766 -0.232856 0.784739 0.214 Uiso 1 1 calc GR . . . .
H50C H 0.100322 -0.200759 0.748851 0.214 Uiso 1 1 calc GR . . . .
C51 C 0.169900 0.075840 0.782650 0.066(4) Uani 1 1 d . . . . .
C52 C 0.170940 0.030270 0.799910 0.097(5) Uani 1 1 d . . . . .
C53 C 0.171440 -0.035320 0.817410 0.164(9) Uani 1 1 d . U . . .
H53 H 0.161080 -0.067806 0.803245 0.197 Uiso 1 1 calc R . . . .
C54 C 0.196100 -0.065100 0.824100 0.249(15) Uani 1 1 d . U . . .
H54A H 0.204053 -0.060490 0.803265 0.373 Uiso 1 1 calc GR . . . .
H54B H 0.195084 -0.113052 0.830094 0.373 Uiso 1 1 calc GR . . . .
H54C H 0.204918 -0.040784 0.843215 0.373 Uiso 1 1 calc GR . . . .
C55 C 0.161870 -0.024980 0.854400 0.132(8) Uani 1 1 d . . . . .
H55A H 0.168478 0.016567 0.865154 0.198 Uiso 1 1 calc GR . . . .
H55B H 0.166512 -0.063666 0.869318 0.198 Uiso 1 1 calc GR . . . .
H55C H 0.144804 -0.021558 0.851206 0.198 Uiso 1 1 calc GR . . . .
C56 C 0.198120 0.124990 0.715430 0.046(3) Uani 1 1 d . . . . .
C57 C 0.217490 0.136260 0.730440 0.049(3) Uani 1 1 d . . . . .
C58 C 0.241380 0.154700 0.752360 0.087(5) Uani 1 1 d . . . . .
H58 H 0.241289 0.140357 0.776962 0.104 Uiso 1 1 calc R . . . .
C59 C 0.242590 0.238310 0.749320 0.115(6) Uani 1 1 d . . . . .
H59A H 0.246780 0.257736 0.772307 0.173 Uiso 1 1 calc GR . . . .
H59B H 0.227321 0.255668 0.739662 0.173 Uiso 1 1 calc GR . . . .
H59C H 0.254384 0.250892 0.734195 0.173 Uiso 1 1 calc GR . . . .
C60 C 0.261580 0.120120 0.735910 0.120(6) Uani 1 1 d . . . . .
H60A H 0.266569 0.079546 0.749164 0.180 Uiso 1 1 calc GR . . . .
H60B H 0.274742 0.151542 0.736117 0.180 Uiso 1 1 calc GR . . . .
H60C H 0.256207 0.107397 0.712043 0.180 Uiso 1 1 calc GR . . . .
C61 C 0.228830 0.253660 0.590610 0.056(3) Uani 1 1 d . . . . .
C62 C 0.246160 0.222640 0.604760 0.063(3) Uani 1 1 d . . . . .
C63 C 0.268620 0.202110 0.625790 0.135(8) Uani 1 1 d . . . . .
H63 H 0.279616 0.223489 0.610861 0.162 Uiso 1 1 calc R . . . .
C64 C 0.272940 0.248830 0.655670 0.111(6) Uani 1 1 d . . . . .
H64A H 0.282530 0.225998 0.674549 0.166 Uiso 1 1 calc GR . . . .
H64B H 0.258005 0.262167 0.663448 0.166 Uiso 1 1 calc GR . . . .
H64C H 0.281134 0.289142 0.648722 0.166 Uiso 1 1 calc GR . . . .
C65 C 0.276520 0.135980 0.623720 0.120(7) Uani 1 1 d . . . . .
H65A H 0.290850 0.135500 0.612340 0.180 Uiso 1 1 calc GR . . . .
H65B H 0.264539 0.108674 0.610339 0.180 Uiso 1 1 calc GR . . . .
H65C H 0.279739 0.117146 0.647022 0.180 Uiso 1 1 calc GR . . . .
C66 C 0.145360 0.462200 0.649180 0.037(2) Uani 1 1 d . . . . .
C67 C 0.151290 0.518490 0.638190 0.044(3) Uani 1 1 d . . . . .
C68 C 0.162480 0.586970 0.633920 0.078(4) Uani 1 1 d . . . . .
H68 H 0.178141 0.577491 0.626200 0.093 Uiso 1 1 calc R . . . .
C69 C 0.167410 0.622560 0.670180 0.107(6) Uani 1 1 d . . . . .
H69A H 0.166970 0.671738 0.667088 0.160 Uiso 1 1 calc GR . . . .
H69B H 0.182848 0.609081 0.681125 0.160 Uiso 1 1 calc GR . . . .
H69C H 0.155478 0.608992 0.684875 0.160 Uiso 1 1 calc GR . . . .
C70 C 0.150100 0.631540 0.606860 0.119(7) Uani 1 1 d . . . . .
H70A H 0.142389 0.603609 0.588187 0.179 Uiso 1 1 calc GR . . . .
H70B H 0.161400 0.661599 0.597589 0.179 Uiso 1 1 calc GR . . . .
H70C H 0.138389 0.658654 0.617050 0.179 Uiso 1 1 calc GR . . . .
C71 C 0.177220 0.385070 0.570640 0.040(2) Uani 1 1 d . . . . .
C72 C 0.193990 0.418870 0.566580 0.052(3) Uani 1 1 d . . . . .
C73 C 0.210890 0.477740 0.562490 0.094(5) Uani 1 1 d . U . . .
H73 H 0.208187 0.506879 0.582650 0.112 Uiso 1 1 calc R . . . .
C74 C 0.237160 0.455690 0.572220 0.172(11) Uani 1 1 d . U . . .
H74A H 0.241821 0.424816 0.554548 0.258 Uiso 1 1 calc GR . . . .
H74B H 0.238743 0.432781 0.594656 0.258 Uiso 1 1 calc GR . . . .
H74C H 0.247201 0.495804 0.573487 0.258 Uiso 1 1 calc GR . . . .
C75 C 0.201690 0.521430 0.532990 0.221(15) Uani 1 1 d . . . . .
H75A H 0.190649 0.495527 0.517169 0.331 Uiso 1 1 calc GR . . . .
H75B H 0.214651 0.536934 0.520713 0.331 Uiso 1 1 calc GR . . . .
H75C H 0.193711 0.560604 0.541659 0.331 Uiso 1 1 calc GR . . . .
C76 C 0.203100 0.344030 0.663980 0.055(3) Uani 1 1 d . . . . .
C77 C 0.216510 0.391900 0.674540 0.074(4) Uani 1 1 d . . . . .
C78 C 0.236710 0.439760 0.684280 0.119(7) Uani 1 1 d . . . . .
H78 H 0.249301 0.429982 0.669265 0.143 Uiso 1 1 calc R . . . .
C79 C 0.246660 0.431940 0.721490 0.160(9) Uani 1 1 d . . . . .
H79A H 0.234958 0.411146 0.734572 0.240 Uiso 1 1 calc GR . . . .
H79B H 0.250934 0.476484 0.731242 0.240 Uiso 1 1 calc GR . . . .
H79C H 0.260559 0.403104 0.722853 0.240 Uiso 1 1 calc GR . . . .
C80 C 0.227370 0.510890 0.676210 0.130(7) Uani 1 1 d . . . . .
H80A H 0.212917 0.517541 0.686862 0.195 Uiso 1 1 calc GR . . . .
H80B H 0.224193 0.516557 0.651147 0.195 Uiso 1 1 calc GR . . . .
H80C H 0.239004 0.544239 0.685440 0.195 Uiso 1 1 calc GR . . . .
C81 C 0.101390 0.471410 0.709700 0.048(3) Uani 1 1 d . . . . .
C82 C 0.087790 0.518910 0.707400 0.058(3) Uani 1 1 d . . . . .
C83 C 0.073880 0.585090 0.711810 0.113(6) Uani 1 1 d . . . . .
H83 H 0.059253 0.580402 0.695584 0.135 Uiso 1 1 calc R . . . .
C84 C 0.087940 0.643120 0.696350 0.197(13) Uani 1 1 d . . . . .
H84A H 0.086032 0.685068 0.709126 0.296 Uiso 1 1 calc GR . . . .
H84B H 0.082085 0.649715 0.671998 0.296 Uiso 1 1 calc GR . . . .
H84C H 0.104515 0.630945 0.698237 0.296 Uiso 1 1 calc GR . . . .
C86 C 0.047040 0.376180 0.652250 0.036(2) Uani 1 1 d . . . . .
C87 C 0.036030 0.425890 0.660710 0.051(3) Uani 1 1 d . . . . .
C88 C 0.019080 0.480990 0.669650 0.083(4) Uani 1 1 d . . . . .
H88 H 0.027719 0.524943 0.671567 0.100 Uiso 1 1 calc R . . . .
C89 C 0.009160 0.468430 0.703410 0.167(11) Uani 1 1 d . . . . .
H89A H -0.007192 0.454398 0.698730 0.250 Uiso 1 1 calc GR . . . .
H89B H 0.010102 0.510064 0.717131 0.250 Uiso 1 1 calc GR . . . .
H89C H 0.018141 0.432689 0.716248 0.250 Uiso 1 1 calc GR . . . .
C90 C -0.000790 0.486780 0.639290 0.190(12) Uani 1 1 d . . . . .
H90A H -0.004708 0.441645 0.630012 0.285 Uiso 1 1 calc GR . . . .
H90B H 0.004443 0.515276 0.621069 0.285 Uiso 1 1 calc GR . . . .
H90C H -0.014613 0.507064 0.647677 0.285 Uiso 1 1 calc GR . . . .
C91 C 0.073560 0.025010 0.586510 0.031(2) Uani 1 1 d . . . . .
C92 C 0.054520 -0.003770 0.585240 0.041(2) Uani 1 1 d . . . . .
C93 C 0.033120 -0.048000 0.578480 0.054(3) Uani 1 1 d . . . . .
H93 H 0.038037 -0.095688 0.574694 0.065 Uiso 1 1 calc R . . . .
C94 C 0.017070 -0.046030 0.608890 0.086(4) Uani 1 1 d . . . . .
H94A H 0.026829 -0.049240 0.631083 0.129 Uiso 1 1 calc GR . . . .
H94B H 0.006142 -0.084141 0.606516 0.129 Uiso 1 1 calc GR . . . .
H94C H 0.008302 -0.003489 0.607898 0.129 Uiso 1 1 calc GR . . . .
C95 C 0.017380 -0.021660 0.544970 0.097(5) Uani 1 1 d . . . . .
H95A H 0.007939 0.016754 0.551149 0.146 Uiso 1 1 calc GR . . . .
H95B H 0.007077 -0.058151 0.535525 0.146 Uiso 1 1 calc GR . . . .
H95C H 0.027439 -0.007376 0.527617 0.146 Uiso 1 1 calc GR . . . .
C96 C 0.113930 -0.089880 0.557520 0.032(2) Uani 1 1 d . . . . .
C97 C 0.102940 -0.133160 0.539300 0.057(3) Uani 1 1 d . . . . .
C98 C 0.089510 -0.186420 0.517680 0.074(4) Uani 1 1 d . . . . .
H98 H 0.089132 -0.174745 0.492647 0.089 Uiso 1 1 calc R . . . .
C99 C 0.101800 -0.252080 0.524670 0.118(6) Uani 1 1 d . . . . .
H99A H 0.115720 -0.245006 0.541130 0.177 Uiso 1 1 calc GR . . . .
H99B H 0.106437 -0.270324 0.503067 0.177 Uiso 1 1 calc GR . . . .
H99C H 0.091328 -0.284103 0.534411 0.177 Uiso 1 1 calc GR . . . .
C100 C 0.063430 -0.192820 0.527740 0.151(10) Uani 1 1 d . . . . .
H10D H 0.055957 -0.232841 0.516551 0.227 Uiso 1 1 calc GR . . . .
H10E H 0.054535 -0.152350 0.519983 0.227 Uiso 1 1 calc GR . . . .
H10F H 0.063825 -0.197190 0.552847 0.227 Uiso 1 1 calc GR . . . .
C101 C 0.085810 0.045930 0.496070 0.034(2) Uani 1 1 d . . . . .
C102 C 0.076790 0.008850 0.472670 0.055(3) Uani 1 1 d . . . . .
C103 C 0.065800 -0.032690 0.442450 0.083(4) Uani 1 1 d . . . . .
H103 H 0.076196 -0.072839 0.440934 0.099 Uiso 1 1 calc R . . . .
C104 C 0.066280 0.007020 0.407300 0.115(6) Uani 1 1 d . . . . .
H10G H 0.066520 0.055768 0.411839 0.173 Uiso 1 1 calc GR . . . .
H10H H 0.052342 -0.004398 0.391628 0.173 Uiso 1 1 calc GR . . . .
H10I H 0.080275 -0.005710 0.396658 0.173 Uiso 1 1 calc GR . . . .
C105 C 0.042090 -0.060830 0.449310 0.105(6) Uani 1 1 d . . . . .
H10J H 0.043137 -0.078841 0.472858 0.158 Uiso 1 1 calc GR . . . .
H10K H 0.037498 -0.097073 0.432791 0.158 Uiso 1 1 calc GR . . . .
H10L H 0.030412 -0.024642 0.446685 0.158 Uiso 1 1 calc GR . . . .
C106 C 0.154720 0.034060 0.508160 0.035(2) Uani 1 1 d . . . . .
C107 C 0.142570 -0.012240 0.492150 0.039(2) Uani 1 1 d . . . . .
C108 C 0.133150 -0.067720 0.467110 0.041(2) Uani 1 1 d . . . . .
H108 H 0.116487 -0.076436 0.470664 0.049 Uiso 1 1 calc R . . . .
C109 C 0.133940 -0.041710 0.428050 0.081(4) Uani 1 1 d . . . . .
H10M H 0.119490 -0.017328 0.420366 0.121 Uiso 1 1 calc GR . . . .
H10N H 0.135497 -0.080585 0.412881 0.121 Uiso 1 1 calc GR . . . .
H10O H 0.147313 -0.011407 0.427160 0.121 Uiso 1 1 calc GR . . . .
C110 C 0.147040 -0.134250 0.474220 0.064(3) Uani 1 1 d . . . . .
H11A H 0.163722 -0.125415 0.473640 0.096 Uiso 1 1 calc GR . . . .
H11B H 0.141751 -0.167706 0.456508 0.096 Uiso 1 1 calc GR . . . .
H11C H 0.144434 -0.151718 0.497010 0.096 Uiso 1 1 calc GR . . . .
C111 C 0.116230 0.152000 0.757040 0.029(2) Uani 1 1 d . . . . .
C112 C 0.110740 0.166420 0.786560 0.0282(19) Uani 1 1 d . . . . .
C113 C 0.104800 0.170840 0.823690 0.040(2) Uani 1 1 d . . . . .
H113 H 0.092972 0.207388 0.825314 0.048 Uiso 1 1 calc R . . . .
C114 C 0.126990 0.188200 0.847600 0.050(3) Uani 1 1 d . . . . .
H11D H 0.138461 0.151859 0.846661 0.074 Uiso 1 1 calc GR . . . .
H11E H 0.123119 0.193121 0.871331 0.074 Uiso 1 1 calc GR . . . .
H11F H 0.133554 0.230701 0.840070 0.074 Uiso 1 1 calc GR . . . .
C115 C 0.094430 0.102400 0.834280 0.056(3) Uani 1 1 d . . . . .
H11G H 0.090171 0.074924 0.813612 0.083 Uiso 1 1 calc GR . . . .
H11H H 0.080508 0.110877 0.845961 0.083 Uiso 1 1 calc GR . . . .
H11I H 0.106072 0.078234 0.849947 0.083 Uiso 1 1 calc GR . . . .
C116 C 0.172660 0.268320 0.755620 0.050(3) Uani 1 1 d . . . . .
C117 C 0.181060 0.257370 0.786040 0.090(5) Uani 1 1 d . . . . .
C119 C 0.182490 0.318360 0.841970 0.126(7) Uani 1 1 d . . . . .
H11J H 0.168961 0.293140 0.848299 0.190 Uiso 1 1 calc GR . . . .
H11K H 0.177128 0.358013 0.828232 0.190 Uiso 1 1 calc GR . . . .
H11L H 0.192112 0.333068 0.862958 0.190 Uiso 1 1 calc GR . . . .
C120 C 0.207250 0.218110 0.835080 0.222(16) Uani 1 1 d . . . . .
H12A H 0.208589 0.221043 0.860325 0.332 Uiso 1 1 calc GR . . . .
H12B H 0.222863 0.214484 0.827526 0.332 Uiso 1 1 calc GR . . . .
H12C H 0.198048 0.178133 0.827416 0.332 Uiso 1 1 calc GR . . . .
C121 C 0.169030 0.440180 0.732900 0.053(3) Uani 1 1 d . . . . .
C122 C 0.157410 0.472700 0.753560 0.060(3) Uani 1 1 d . . . . .
C123 C 0.149010 0.522410 0.777870 0.084(5) Uani 1 1 d . . . . .
H123 H 0.132209 0.513565 0.780494 0.100 Uiso 1 1 calc R . . . .
C124 C 0.151800 0.595220 0.763490 0.140(9) Uani 1 1 d . . . . .
H12D H 0.167374 0.600107 0.755939 0.210 Uiso 1 1 calc GR . . . .
H12E H 0.149846 0.628361 0.781642 0.210 Uiso 1 1 calc GR . . . .
H12F H 0.139933 0.602933 0.743855 0.210 Uiso 1 1 calc GR . . . .
C125 C 0.163930 0.515440 0.813570 0.134(8) Uani 1 1 d . . . . .
H12G H 0.172380 0.472362 0.814521 0.201 Uiso 1 1 calc GR . . . .
H12H H 0.153663 0.516754 0.831988 0.201 Uiso 1 1 calc GR . . . .
H12I H 0.175129 0.552820 0.816652 0.201 Uiso 1 1 calc GR . . . .
C126 C 0.121350 0.349340 0.781210 0.042(2) Uani 1 1 d . . . . .
C127 C 0.111710 0.365120 0.806760 0.054(3) Uani 1 1 d . . . . .
C128 C 0.100000 0.382870 0.838190 0.110(6) Uani 1 1 d . . . . .
H128 H 0.089181 0.345842 0.843695 0.132 Uiso 1 1 calc R . . . .
C129 C 0.086720 0.449020 0.831740 0.217(15) Uani 1 1 d . . . . .
H12J H 0.097702 0.485303 0.827820 0.326 Uiso 1 1 calc GR . . . .
H12K H 0.078668 0.460060 0.851885 0.326 Uiso 1 1 calc GR . . . .
H12L H 0.075242 0.444278 0.811363 0.326 Uiso 1 1 calc GR . . . .
C130 C 0.118110 0.396910 0.869150 0.127(7) Uani 1 1 d . . . . .
H13A H 0.133572 0.382781 0.863662 0.191 Uiso 1 1 calc GR . . . .
H13B H 0.114024 0.371549 0.889231 0.191 Uiso 1 1 calc GR . . . .
H13C H 0.118329 0.445390 0.874380 0.191 Uiso 1 1 calc GR . . . .
C131 C 0.164480 -0.021970 0.595880 0.031(2) Uani 1 1 d . . . . .
C132 C 0.175350 -0.077170 0.597720 0.038(2) Uani 1 1 d . . . . .
C133 C 0.186220 -0.148740 0.601030 0.050(3) Uani 1 1 d . . . . .
H133 H 0.203616 -0.144989 0.602638 0.061 Uiso 1 1 calc R . . . .
C134 C 0.179230 -0.182740 0.634280 0.065(3) Uani 1 1 d . . . . .
H13D H 0.170230 -0.223849 0.628093 0.097 Uiso 1 1 calc GR . . . .
H13E H 0.169706 -0.151350 0.646231 0.097 Uiso 1 1 calc GR . . . .
H13F H 0.193340 -0.194486 0.649508 0.097 Uiso 1 1 calc GR . . . .
C135 C 0.177320 -0.190180 0.568750 0.078(4) Uani 1 1 d . . . . .
H13G H 0.162256 -0.210744 0.572041 0.117 Uiso 1 1 calc GR . . . .
H13H H 0.188621 -0.225784 0.565132 0.117 Uiso 1 1 calc GR . . . .
H13I H 0.175421 -0.160369 0.548546 0.117 Uiso 1 1 calc GR . . . .
C136 C 0.214550 0.037160 0.642840 0.045(2) Uani 1 1 d . . . . .
C137 C 0.228610 -0.008640 0.651300 0.070(4) Uani 1 1 d . . . . .
C138 C 0.247350 -0.059630 0.666170 0.123(7) Uani 1 1 d . . . . .
C139 C 0.239540 -0.109020 0.688080 0.138(7) Uani 1 1 d . U . . .
C141 C 0.177340 -0.049200 0.706950 0.102(6) Uani 1 1 d . . . . .
C142 C 0.172890 -0.091540 0.724530 0.070(4) Uani 1 1 d . . . . .
C146 C 0.088040 0.419000 0.594240 0.034(2) Uani 1 1 d . . . . .
C148 C 0.076090 0.470510 0.594350 0.033(2) Uani 1 1 d . . . . .
C149 C 0.063440 0.538360 0.593960 0.039(2) Uani 1 1 d . . . . .
H149 H 0.056140 0.542987 0.615963 0.046 Uiso 1 1 calc R . . . .
C150 C 0.043370 0.539120 0.562690 0.102(6) Uani 1 1 d . . . . .
H15D H 0.049747 0.554678 0.541780 0.153 Uiso 1 1 calc GR . . . .
H15E H 0.030896 0.569772 0.568007 0.153 Uiso 1 1 calc GR . . . .
H15F H 0.037053 0.493380 0.558942 0.153 Uiso 1 1 calc GR . . . .
C151 C 0.081630 0.596080 0.592310 0.138(8) Uani 1 1 d . . . . .
H15G H 0.096751 0.581473 0.603930 0.207 Uiso 1 1 calc GR . . . .
H15H H 0.076356 0.636405 0.603833 0.207 Uiso 1 1 calc GR . . . .
H15I H 0.083239 0.606714 0.568128 0.207 Uiso 1 1 calc GR . . . .
C152 C 0.217050 0.068430 0.551020 0.049(3) Uani 1 1 d . . . . .
C153 C 0.209910 0.017100 0.535600 0.059(3) Uani 1 1 d . . . . .
C154 C 0.207650 -0.047720 0.513680 0.087(5) Uani 1 1 d . . . . .
H154 H 0.192617 -0.071399 0.516345 0.105 Uiso 1 1 calc R . . . .
C155 C 0.208750 -0.025420 0.473960 0.110(6) Uani 1 1 d . . . . .
H15J H 0.196700 0.008600 0.467440 0.166 Uiso 1 1 calc GR . . . .
H15K H 0.206059 -0.065032 0.458937 0.166 Uiso 1 1 calc GR . . . .
H15L H 0.224157 -0.006317 0.471439 0.166 Uiso 1 1 calc GR . . . .
C156 C 0.228860 -0.094550 0.525050 0.170(10) Uani 1 1 d . . . . .
H15M H 0.243252 -0.067756 0.527270 0.255 Uiso 1 1 calc GR . . . .
H15N H 0.229863 -0.129984 0.507698 0.255 Uiso 1 1 calc GR . . . .
H15O H 0.226804 -0.115362 0.547333 0.255 Uiso 1 1 calc GR . . . .
C157 C 0.062870 0.201720 0.546650 0.0274(19) Uani 1 1 d . . . . .
C158 C 0.050460 0.175890 0.520860 0.034(2) Uani 1 1 d . . . . .
C159 C 0.030860 0.152470 0.493190 0.050(3) Uani 1 1 d . . . . .
H159 H 0.030005 0.102007 0.494312 0.060 Uiso 1 1 calc R . . . .
C160 C 0.007320 0.180710 0.501570 0.104(6) Uani 1 1 d . . . . .
H16A H 0.001460 0.153107 0.519632 0.156 Uiso 1 1 calc GR . . . .
H16B H -0.003904 0.179583 0.480756 0.156 Uiso 1 1 calc GR . . . .
H16C H 0.009381 0.227464 0.509670 0.156 Uiso 1 1 calc GR . . . .
C161 C 0.037660 0.172420 0.455880 0.060(3) Uani 1 1 d . . . . .
H16D H 0.027868 0.146986 0.438190 0.090 Uiso 1 1 calc GR . . . .
H16E H 0.054115 0.161532 0.454480 0.090 Uiso 1 1 calc GR . . . .
H16F H 0.035169 0.220986 0.452074 0.090 Uiso 1 1 calc GR . . . .
C162 C 0.084990 0.292300 0.713010 0.035(2) Uani 1 1 d . . . . .
C163 C 0.066580 0.283720 0.725120 0.047(3) Uani 1 1 d . . . . .
C164 C 0.043640 0.274960 0.740830 0.089(4) Uani 1 1 d D U . . .
H164 H 0.031296 0.287928 0.721876 0.107 Uiso 1 1 calc R . . . .
C165 C 0.041640 0.326120 0.768280 0.195(13) Uani 1 1 d D . . . .
C166 C 0.039330 0.198670 0.747040 0.156(9) Uani 1 1 d . U . . .
H16G H 0.037480 0.191254 0.771450 0.234 Uiso 1 1 calc GR . . . .
H16H H 0.052662 0.172397 0.740827 0.234 Uiso 1 1 calc GR . . . .
H16I H 0.025127 0.184200 0.732763 0.234 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.980620 0.280420 0.392950 0.0757(9) Uani 1 1 d . . . . .
Cl2 Cl 0.918150 0.239490 0.582360 0.0504(7) Uani 1 1 d . . . . .
Cl3 Cl 0.158020 0.254370 0.348440 0.0746(9) Uani 1 1 d . . . . .
Cl4 Cl 0.231170 0.683100 0.619810 0.399(11) Uani 1 1 d . . . . .
Cu1 Cu 0.134030 0.203330 0.631020 0.0226(2) Uani 1 1 d . . . . .
Cu2 Cu 0.124830 0.147850 0.711320 0.0280(2) Uani 1 1 d . . . . .
Cu3 Cu 0.077340 0.218750 0.591800 0.0269(2) Uani 1 1 d . . . . .
Cu4 Cu 0.054640 0.369770 0.599030 0.0333(3) Uani 1 1 d . . . . .
Cu5 Cu 0.081640 0.147850 0.659690 0.0301(2) Uani 1 1 d . . . . .
Cu6 Cu 0.149330 0.063020 0.596970 0.0282(2) Uani 1 1 d . . . . .
Cu7 Cu 0.157640 0.266130 0.710160 0.0360(3) Uani 1 1 d . . . . .
Cu8 Cu 0.135770 0.056180 0.759360 0.0351(3) Uani 1 1 d . . . . .
Cu9 Cu 0.140780 -0.026020 0.547260 0.0307(2) Uani 1 1 d . . . . .
Cu10 Cu 0.059050 0.311980 0.541070 0.0347(3) Uani 1 1 d . . . . .
Cu11 Cu 0.180390 0.088540 0.531240 0.0355(3) Uani 1 1 d . . . . .
Cu12 Cu 0.067340 0.297450 0.651080 0.0335(3) Uani 1 1 d . . . . .
Cu13 Cu 0.110730 0.280110 0.686010 0.0283(2) Uani 1 1 d . . . . .
Cu14 Cu 0.100020 0.083360 0.592920 0.0288(2) Uani 1 1 d . . . . .
Cu15 Cu 0.147270 0.401850 0.531210 0.0331(3) Uani 1 1 d . . . . .
Cu16 Cu 0.106650 0.338640 0.596240 0.0301(2) Uani 1 1 d . . . . .
Cu17 Cu 0.128240 0.044320 0.658880 0.0352(3) Uani 1 1 d . . . . .
Cu18 Cu 0.154070 0.322500 0.583760 0.0296(2) Uani 1 1 d . . . . .
Cu19 Cu 0.142040 0.367200 0.653330 0.0321(3) Uani 1 1 d . . . . .
Cu20 Cu 0.175790 0.190600 0.576790 0.0318(3) Uani 1 1 d . . . . .
Cu21 Cu 0.105970 0.377920 0.730610 0.0387(3) Uani 1 1 d . . . . .
Cu22 Cu 0.099700 0.414170 0.540970 0.0332(3) Uani 1 1 d . . . . .
Cu23 Cu 0.135640 0.453380 0.700890 0.0416(3) Uani 1 1 d . . . . .
Cu24 Cu 0.028640 0.245900 0.590430 0.0386(3) Uani 1 1 d . . . . .
Cu25 Cu 0.139270 -0.040420 0.707220 0.0375(3) Uani 1 1 d . . . . .
Cu26 Cu 0.092520 -0.004900 0.543040 0.0367(3) Uani 1 1 d . . . . .
Cu27 Cu 0.168640 0.130530 0.687990 0.0391(3) Uani 1 1 d . . . . .
Cu28 Cu 0.052380 0.099760 0.604400 0.0379(3) Uani 1 1 d . . . . .
Cu29 Cu 0.099310 0.026690 0.712680 0.0375(3) Uani 1 1 d . . . . .
Cu30 Cu 0.072750 0.429020 0.682120 0.0438(3) Uani 1 1 d . . . . .
Cu31 Cu 0.123700 -0.049580 0.603970 0.0398(3) Uani 1 1 d . . . . .
Cu32 Cu 0.133170 0.457650 0.596940 0.0407(3) Uani 1 1 d . . . . .
Cu33 Cu 0.122960 0.200300 0.553400 0.0388(3) Uani 1 1 d . . . . .
Cu34 Cu 0.202840 0.314090 0.581210 0.0500(3) Uani 1 1 d . . . . .
Cu35 Cu 0.154960 0.268320 0.515070 0.0433(3) Uani 1 1 d . . . . .
Cu36 Cu 0.084930 0.133690 0.523370 0.0433(3) Uani 1 1 d . . . . .
Cu37 Cu 0.112830 0.312230 0.504440 0.0374(3) Uani 1 1 d . . . . .
Cu38 Cu 0.117770 0.258530 0.755020 0.0430(3) Uani 1 1 d . . . . .
Cu39 Cu 0.150670 0.358500 0.756060 0.0446(3) Uani 1 1 d . . . . .
Cu40 Cu 0.199450 0.027210 0.591700 0.0346(7) Uani 0.542(3) 1 d . . P C 1
Cu41 Cu 0.222610 0.156620 0.572690 0.0504(3) Uani 1 1 d . . . . .
Cu42 Cu 0.121090 0.078810 0.505570 0.0347(3) Uani 1 1 d . . . . .
Cu43 Cu 0.179440 0.038420 0.736160 0.0563(4) Uani 1 1 d . . . . .
Cu44 Cu 0.195080 0.114490 0.634350 0.0444(3) Uani 1 1 d . . . . .
Cu45 Cu 0.187890 0.266640 0.644600 0.0449(3) Uani 1 1 d . . . . .
Cu46 Cu 0.172320 0.162950 0.758350 0.0862(6) Uani 1 1 d . . . . .
Cu47 Cu 0.184620 0.389650 0.699440 0.0534(3) Uani 1 1 d . . . . .
Cu48 Cu 0.181210 -0.010660 0.651100 0.0375(9) Uani 0.443(3) 1 d . . P C 1
Cu90 Cu 0.231490 0.022200 0.595930 0.0430(9) Uani 0.458(3) 1 d . . P C 2
Cu98 Cu 0.195800 0.011830 0.685180 0.0427(7) Uani 0.557(3) 1 d . . P C 2
O1 O 0.139910 0.276280 0.666370 0.0253(12) Uani 1 1 d . . . . .
O2 O 0.128690 0.269010 0.592580 0.0283(13) Uani 1 1 d . . . . .
O3 O 0.127400 0.134610 0.594000 0.0243(12) Uani 1 1 d . . . . .
O4 O 0.136420 0.134380 0.668440 0.0315(14) Uani 1 1 d . . . . .
O5 O 0.174220 0.186780 0.625440 0.0395(15) Uani 1 1 d . . . . .
O6 O 0.089150 0.229940 0.638790 0.0291(13) Uani 1 1 d . . . . .
O7 O 0.972190 0.328190 0.371480 0.224(10) Uani 1 1 d . . . . .
O8 O 0.994760 0.243560 0.377500 0.234(10) Uani 1 1 d . . . . .
O9 O 0.961120 0.249670 0.396630 0.42(2) Uani 1 1 d . . . . .
O10 O 0.989040 0.306380 0.424780 0.163(6) Uani 1 1 d . . . . .
O11 O 0.936980 0.227800 0.562800 0.138(5) Uani 1 1 d . . . . .
O12 O 0.904290 0.293170 0.570850 0.149(6) Uani 1 1 d . . . . .
O13 O 0.925970 0.247180 0.618670 0.082(3) Uani 1 1 d . . . . .
O14 O 0.903260 0.178820 0.577910 0.101(3) Uani 1 1 d . . . . .
O15 O 0.162120 0.202750 0.325910 0.142(5) Uani 1 1 d . . . . .
O16 O 0.132910 0.261880 0.348820 0.115(4) Uani 1 1 d . . . . .
O17 O 0.170520 0.240400 0.382700 0.137(5) Uani 1 1 d . . . . .
O18 O 0.166590 0.318740 0.342680 0.158(6) Uani 1 1 d . . . . .
O19 O 0.245950 0.642720 0.612920 0.299(15) Uani 1 1 d . . . . .
O20 O 0.209240 0.656370 0.602690 0.244(10) Uani 1 1 d . . . . .
O21 O 0.236410 0.746730 0.605800 0.188(8) Uani 1 1 d . . . . .
C118 C 0.196600 0.274000 0.821300 0.121(12) Uani 1 1 d . U . . .
H118 H 0.209499 0.303458 0.814697 0.145 Uiso 1 1 calc R . . . .
C85 C 0.065900 0.587600 0.747200 0.238(14) Uani 1 1 d . U . . .
H85A H 0.070560 0.545896 0.759694 0.357 Uiso 1 1 calc GR . . . .
H85B H 0.048868 0.592053 0.745128 0.357 Uiso 1 1 calc GR . . . .
H85C H 0.073067 0.626488 0.759864 0.357 Uiso 1 1 calc GR . . . .


_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
C140 C138 1.3062 . ?
C940 C138 1.6013 . ?
C143 C144 1.5367 . ?
C143 C145 1.4741 . ?
C143 C142 1.3325 . ?
C943 C944 1.5628 . ?
C943 C945 1.5457 . ?
C943 C142 1.6578 . ?
C1 C2 1.2253 . ?
C1 Cu11 2.0875 . ?
C1 Cu20 1.8761 . ?
C1 Cu35 2.0439 . ?
C2 C3 1.5046 . ?
C2 Cu35 2.1303 . ?
C3 C4 1.5641 . ?
C3 C5 1.5696 . ?
C6 C7 1.2007 . ?
C6 Cu33 1.8631 . ?
C6 Cu35 2.5163 . ?
C6 Cu36 2.3945 . ?
C6 Cu37 2.2676 . ?
C6 Cu42 2.2796 . ?
C7 C8 1.4908 . ?
C8 C9 1.4597 . ?
C8 C10 1.4567 . ?
C11 C12 1.1876 . ?
C11 Cu15 1.9998 . ?
C11 Cu35 2.0142 . ?
C11 Cu37 2.0896 . ?
C12 C13 1.5054 . ?
C13 C14 1.5573 . ?
C13 C15 1.5709 . ?
C16 C17 1.2439 . ?
C16 Cu10 2.1091 . ?
C16 Cu22 1.9945 . ?
C16 Cu37 1.9603 . ?
C17 C18 1.4822 . ?
C17 Cu10 2.2367 . ?
C18 C19 1.5154 . ?
C18 C20 1.5349 . ?
C21 C22 1.2318 . ?
C21 Cu15 2.1352 . ?
C21 Cu22 2.1295 . ?
C21 Cu32 1.8860 . ?
C22 C23 1.5007 . ?
C22 Cu15 2.3327 . ?
C22 Cu22 2.3390 . ?
C23 C24 1.5414 . ?
C23 C25 1.5037 . ?
C26 C27 1.2198 . ?
C26 Cu4 1.9889 . ?
C26 Cu10 2.0113 . ?
C26 Cu24 2.0425 . ?
C27 C28 1.4868 . ?
C27 Cu24 2.2414 . ?
C28 C29 1.6232 . ?
C28 C30 1.5167 . ?
C31 C32 1.2152 . ?
C31 Cu24 2.0437 . ?
C31 Cu28 1.8785 . ?
C32 C33 1.4997 . ?
C32 Cu24 2.1397 . ?
C33 C34 1.5714 . ?
C33 C35 1.5217 . ?
C36 C37 1.2218 . ?
C36 Cu5 1.8411 . ?
C36 Cu29 2.0381 . ?
C37 C38 1.4838 . ?
C37 Cu29 2.1249 . ?
C38 C39 1.5475 . ?
C38 C40 1.5751 . ?
C41 C42 1.2328 . ?
C41 Cu17 1.8705 . ?
C41 Cu25 2.1271 . ?
C41 Cu31 2.0577 . ?
C42 C43 1.4691 . ?
C42 Cu31 2.1203 . ?
C43 C44 1.5582 . ?
C43 C45 1.5390 . ?
C46 C47 1.1888 . ?
C46 Cu8 2.0388 . ?
C46 Cu25 2.0677 . ?
C46 Cu29 1.9920 . ?
C47 C48 1.4784 . ?
C48 C49 1.5625 . ?
C48 C50 1.4782 . ?
C51 C52 1.0993 . ?
C51 Cu8 2.0660 . ?
C51 Cu43 2.0440 . ?
C51 Cu46 1.9379 . ?
C52 C53 1.4344 . ?
C52 Cu8 2.4308 . ?
C52 Cu43 2.5373 . ?
C53 C54 1.5026 . ?
C53 C55 1.5798 . ?
C56 C57 1.1970 . ?
C56 Cu27 1.8687 . ?
C56 Cu43 2.1764 . ?
C56 Cu46 2.4244 . ?
C56 Cu98 2.4745 . ?
C57 C58 1.5481 . ?
C58 C59 1.6259 . ?
C58 C60 1.5176 . ?
C61 C62 1.2219 . ?
C61 Cu34 1.8804 . ?
C61 Cu41 2.0180 . ?
C62 C63 1.4781 . ?
C62 Cu41 2.1310 . ?
C63 C64 1.4554 . ?
C63 C65 1.3618 . ?
C66 C67 1.2282 . ?
C66 Cu19 1.8585 . ?
C66 Cu23 2.1138 . ?
C66 Cu32 2.0381 . ?
C67 C68 1.4862 . ?
C67 Cu32 2.1349 . ?
C68 C69 1.5439 . ?
C68 C70 1.4632 . ?
C71 C72 1.1756 . ?
C71 Cu15 2.1600 . ?
C71 Cu18 1.8905 . ?
C71 Cu34 2.0041 . ?
C72 C73 1.5062 . ?
C72 Cu34 2.1495 . ?
C73 C74 1.5486 . ?
C73 C75 1.4576 . ?
C76 C77 1.2361 . ?
C76 Cu45 1.8416 . ?
C76 Cu47 2.0040 . ?
C77 C78 1.4848 . ?
C77 Cu47 2.1278 . ?
C78 C79 1.4762 . ?
C78 C80 1.4953 . ?
C81 C82 1.1955 . ?
C81 Cu21 1.9846 . ?
C81 Cu23 2.0296 . ?
C81 Cu30 2.0049 . ?
C82 C83 1.5226 . ?
C82 Cu30 2.1221 . ?
C83 C84 1.5318 . ?
C83 C85 1.4717 . ?
C86 C87 1.2095 . ?
C86 Cu4 2.1263 . ?
C86 Cu12 1.9114 . ?
C86 Cu30 2.0218 . ?
C87 C88 1.4981 . ?
C87 Cu30 2.1433 . ?
C88 C89 1.4813 . ?
C88 C90 1.5250 . ?
C91 C92 1.2072 . ?
C91 Cu14 1.8677 . ?
C91 Cu26 2.1518 . ?
C91 Cu28 2.0433 . ?
C92 C93 1.4804 . ?
C92 Cu28 2.1429 . ?
C93 C94 1.5505 . ?
C93 C95 1.5602 . ?
C96 C97 1.2149 . ?
C96 Cu9 2.0283 . ?
C96 Cu26 2.0806 . ?
C96 Cu31 1.9599 . ?
C97 C98 1.4771 . ?
C98 C99 1.4593 . ?
C98 C100 1.5674 . ?
C101 C102 1.2134 . ?
C101 Cu26 2.0439 . ?
C101 Cu36 1.9977 . ?
C101 Cu42 2.0844 . ?
C102 C103 1.4848 . ?
C103 C104 1.5496 . ?
C103 C105 1.4952 . ?
C106 C107 1.2472 . ?
C106 Cu9 2.1127 . ?
C106 Cu11 1.9254 . ?
C106 Cu42 2.0797 . ?
C107 C108 1.4963 . ?
C107 Cu9 2.1343 . ?
C107 Cu42 2.2322 . ?
C108 C109 1.5793 . ?
C108 C110 1.5175 . ?
C111 C112 1.2336 . ?
C111 Cu2 1.8647 . ?
C111 Cu8 2.1562 . ?
C111 Cu38 2.0675 . ?
C112 C113 1.4949 . ?
C112 Cu38 2.2131 . ?
C113 C114 1.5040 . ?
C113 C115 1.5221 . ?
C116 C117 1.2232 . ?
C116 Cu7 1.8455 . ?
C116 Cu39 2.1445 . ?
C116 Cu46 2.0442 . ?
C117 Cu46 2.1427 . ?
C117 C118 1.5567 . ?
C119 C118 1.4614 . ?
C120 C118 1.3193 . ?
C121 C122 1.2508 . ?
C121 Cu23 2.1450 . ?
C121 Cu39 2.1363 . ?
C121 Cu47 1.9012 . ?
C122 C123 1.4531 . ?
C122 Cu23 2.2683 . ?
C122 Cu39 2.2487 . ?
C123 C124 1.5281 . ?
C123 C125 1.5265 . ?
C126 C127 1.2079 . ?
C126 Cu21 2.1023 . ?
C126 Cu38 2.0226 . ?
C126 Cu39 2.0117 . ?
C127 C128 1.4735 . ?
C128 C129 1.4914 . ?
C128 C130 1.4993 . ?
C131 C132 1.2311 . ?
C131 Cu6 1.8581 . ?
C131 Cu9 2.1657 . ?
C131 Cu31 2.4168 . ?
C131 Cu40 2.2140 . ?
C131 Cu48 2.2231 . ?
C132 C133 1.5159 . ?
C132 Cu40 2.4623 . ?
C132 Cu48 2.4027 . ?
C133 C134 1.5206 . ?
C133 C135 1.5093 . ?
C136 C137 1.2103 . ?
C136 Cu40 2.0508 . ?
C136 Cu44 1.8651 . ?
C136 Cu48 2.1525 . ?
C136 Cu90 2.1416 . ?
C136 Cu98 2.0867 . ?
C137 C138 1.5114 . ?
C137 Cu90 2.2199 . ?
C137 Cu98 2.4071 . ?
C138 C139 1.3753 . ?
C141 C142 1.1063 . ?
C141 Cu25 2.1574 . ?
C141 Cu43 2.0272 . ?
C141 Cu48 2.2923 . ?
C141 Cu98 1.8351 . ?
C142 Cu25 2.1776 . ?
C146 C148 1.2049 . ?
C146 Cu4 2.1391 . ?
C146 Cu16 1.8750 . ?
C146 Cu22 2.2080 . ?
C148 C149 1.4953 . ?
C148 Cu4 2.3142 . ?
C149 C150 1.5521 . ?
C149 C151 1.5243 . ?
C152 C153 1.2022 . ?
C152 Cu11 2.1585 . ?
C152 Cu40 2.0928 . ?
C152 Cu41 1.9090 . ?
C152 Cu90 2.0238 . ?
C153 C154 1.5066 . ?
C153 Cu11 2.1586 . ?
C153 Cu40 2.2924 . ?
C153 Cu90 2.4851 . ?
C154 C155 1.5845 . ?
C154 C156 1.5265 . ?
C157 C158 1.2480 . ?
C157 Cu3 1.8532 . ?
C157 Cu10 2.1551 . ?
C157 Cu36 2.0795 . ?
C158 C159 1.5122 . ?
C158 Cu36 2.1033 . ?
C159 C160 1.5042 . ?
C159 C161 1.5643 . ?
C162 C163 1.1952 . ?
C162 Cu12 2.4636 . ?
C162 Cu13 1.8876 . ?
C162 Cu21 2.1046 . ?
C162 Cu38 2.4013 . ?
C163 C164 1.4962 . ?
C164 C165 1.4559 . ?
C164 C166 1.5208 . ?
Cl1 O7 1.2916 . ?
Cl1 O8 1.2648 . ?
Cl1 O9 1.2732 . ?
Cl1 O10 1.3517 . ?
Cl2 O11 1.3840 . ?
Cl2 O12 1.3456 . ?
Cl2 O13 1.4152 . ?
Cl2 O14 1.4441 . ?
Cl3 O15 1.3556 . ?
Cl3 O16 1.4269 . ?
Cl3 O17 1.4412 . ?
Cl3 O18 1.3643 . ?
Cl4 O19 1.1943 . ?
Cl4 O20 1.4313 . ?
Cl4 O21 1.3886 . ?
Cu1 Cu13 2.9940 . ?
Cu1 Cu33 2.9603 . ?
Cu1 O1 1.9569 . ?
Cu1 O2 1.9404 . ?
Cu1 O3 1.9474 . ?
Cu1 O4 1.9495 . ?
Cu1 O5 2.3248 . ?
Cu2 Cu5 2.9604 . ?
Cu2 Cu7 2.9500 . ?
Cu2 Cu8 2.5783 . ?
Cu2 Cu13 2.8217 . ?
Cu2 Cu17 2.8554 . ?
Cu2 Cu27 2.7411 . ?
Cu2 Cu29 2.7577 . ?
Cu2 Cu38 2.7727 . ?
Cu2 O4 1.8477 . ?
Cu3 Cu5 2.9194 . ?
Cu3 Cu10 2.7632 . ?
Cu3 Cu12 2.8370 . ?
Cu3 Cu14 2.9171 . ?
Cu3 Cu16 2.8460 . ?
Cu3 Cu24 2.7943 . ?
Cu3 Cu28 2.7717 . ?
Cu3 O6 1.8558 . ?
Cu4 Cu10 2.5167 . ?
Cu4 Cu12 2.4717 . ?
Cu4 Cu16 3.0113 . ?
Cu4 Cu24 2.8133 . ?
Cu5 Cu12 3.0168 . ?
Cu5 Cu28 2.6978 . ?
Cu5 O6 1.8495 . ?
Cu6 Cu9 2.5703 . ?
Cu6 Cu14 2.7991 . ?
Cu6 Cu17 2.7858 . ?
Cu6 Cu20 3.0315 . ?
Cu6 Cu31 2.6477 . ?
Cu6 Cu40 2.9421 . ?
Cu6 Cu44 2.9806 . ?
Cu6 Cu48 2.9532 . ?
Cu6 O3 1.8543 . ?
Cu7 Cu13 2.7195 . ?
Cu7 Cu19 2.9820 . ?
Cu7 Cu27 2.8496 . ?
Cu7 Cu38 2.9797 . ?
Cu7 Cu39 2.5653 . ?
Cu7 Cu46 2.7800 . ?
Cu7 Cu47 2.8901 . ?
Cu7 O1 1.8611 . ?
Cu8 Cu25 2.7552 . ?
Cu8 Cu29 2.6315 . ?
Cu8 Cu43 2.7327 . ?
Cu8 Cu46 2.9251 . ?
Cu9 Cu26 2.7423 . ?
Cu9 Cu31 2.5078 . ?
Cu9 Cu42 2.7387 . ?
Cu10 Cu22 3.0314 . ?
Cu10 Cu24 2.9760 . ?
Cu11 Cu20 2.6648 . ?
Cu11 Cu40 2.7103 . ?
Cu11 Cu41 3.0146 . ?
Cu12 Cu13 2.6771 . ?
Cu12 Cu30 2.8132 . ?
Cu12 O6 1.8909 . ?
Cu13 Cu19 2.8317 . ?
Cu13 Cu21 2.5814 . ?
Cu13 Cu38 2.6535 . ?
Cu13 O1 1.8859 . ?
Cu13 O6 2.2784 . ?
Cu14 Cu17 2.9258 . ?
Cu14 Cu26 2.5593 . ?
Cu14 Cu28 2.7910 . ?
Cu14 Cu31 2.9109 . ?
Cu14 Cu36 2.8677 . ?
Cu14 O3 1.8339 . ?
Cu15 Cu18 2.5227 . ?
Cu15 Cu22 2.7626 . ?
Cu15 Cu32 2.9228 . ?
Cu15 Cu35 2.7055 . ?
Cu15 Cu37 2.7200 . ?
Cu16 Cu18 2.7886 . ?
Cu16 Cu19 2.8428 . ?
Cu16 Cu22 2.5619 . ?
Cu16 Cu32 2.7477 . ?
Cu16 O2 1.8510 . ?
Cu17 Cu25 2.4967 . ?
Cu17 Cu27 2.9435 . ?
Cu17 Cu29 2.7836 . ?
Cu17 Cu31 2.7659 . ?
Cu17 O4 1.8312 . ?
Cu18 Cu19 2.9438 . ?
Cu18 Cu20 2.8595 . ?
Cu18 Cu32 2.9382 . ?
Cu18 Cu34 2.7709 . ?
Cu18 Cu35 2.8302 . ?
Cu18 Cu45 3.0376 . ?
Cu18 O2 1.8297 . ?
Cu19 Cu23 2.5220 . ?
Cu19 Cu32 2.7778 . ?
Cu19 Cu47 2.8509 . ?
Cu19 O1 1.8380 . ?
Cu20 Cu33 3.0230 . ?
Cu20 Cu34 2.8333 . ?
Cu20 Cu35 2.9303 . ?
Cu20 Cu41 2.7455 . ?
Cu20 Cu44 2.7672 . ?
Cu20 Cu45 2.9909 . ?
Cu20 O5 1.8707 . ?
Cu21 Cu23 2.5793 . ?
Cu21 Cu30 2.6746 . ?
Cu21 Cu38 2.5543 . ?
Cu21 Cu39 2.6288 . ?
Cu22 Cu32 2.8195 . ?
Cu22 Cu37 2.5738 . ?
Cu23 Cu39 2.8527 . ?
Cu23 Cu47 3.0347 . ?
Cu25 Cu29 2.6322 . ?
Cu25 Cu43 2.8532 . ?
Cu26 Cu31 2.8895 . ?
Cu26 Cu36 2.8080 . ?
Cu26 Cu42 2.7912 . ?
Cu27 Cu43 2.5863 . ?
Cu27 Cu44 2.6828 . ?
Cu27 Cu46 2.7438 . ?
Cu27 Cu98 2.7727 . ?
Cu27 O4 1.8895 . ?
Cu33 Cu35 2.7802 . ?
Cu33 Cu36 2.6539 . ?
Cu33 Cu37 2.8784 . ?
Cu33 Cu42 2.9736 . ?
Cu33 O2 2.0016 . ?
Cu33 O3 1.9996 . ?
Cu34 Cu45 2.8049 . ?
Cu35 Cu37 2.5164 . ?
Cu36 Cu42 2.4635 . ?
Cu38 Cu39 2.6808 . ?
Cu40 Cu41 2.9552 . ?
Cu40 Cu44 2.3792 . ?
Cu40 Cu48 2.6944 . ?
Cu41 Cu90 2.7787 . ?
Cu43 Cu46 2.6029 . ?
Cu43 Cu98 2.3034 . ?
Cu44 Cu45 3.0070 . ?
Cu44 Cu48 2.6480 . ?
Cu44 Cu98 2.7758 . ?
Cu44 O5 1.8372 . ?
Cu45 O5 1.8436 . ?

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
C145 C143 C144 129.6 . . ?
C142 C143 C144 108.2 . . ?
C142 C143 C145 96.5 . . ?
C944 C943 C142 117.2 . . ?
C945 C943 C944 100.2 . . ?
C945 C943 C142 106.9 . . ?
C2 C1 Cu11 113.9 . . ?
C2 C1 Cu20 160.2 . . ?
C2 C1 Cu35 76.8 . . ?
Cu20 C1 Cu11 84.3 . . ?
Cu20 C1 Cu35 96.7 . . ?
Cu35 C1 Cu11 133.2 . . ?
C1 C2 C3 164.9 . . ?
C1 C2 Cu35 69.1 . . ?
C3 C2 Cu35 125.1 . . ?
C2 C3 C4 108.1 . . ?
C2 C3 C5 107.6 . . ?
C4 C3 C5 113.4 . . ?
C7 C6 Cu33 172.5 . . ?
C7 C6 Cu35 96.0 . . ?
C7 C6 Cu36 110.8 . . ?
C7 C6 Cu37 92.2 . . ?
C7 C6 Cu42 89.2 . . ?
Cu33 C6 Cu35 77.2 . . ?
Cu33 C6 Cu36 76.0 . . ?
Cu33 C6 Cu37 87.8 . . ?
Cu33 C6 Cu42 91.2 . . ?
Cu36 C6 Cu35 153.1 . . ?
Cu37 C6 Cu35 63.2 . . ?
Cu37 C6 Cu36 113.6 . . ?
Cu37 C6 Cu42 177.1 . . ?
Cu42 C6 Cu35 119.1 . . ?
Cu42 C6 Cu36 63.6 . . ?
C6 C7 C8 171.2 . . ?
C9 C8 C7 112.3 . . ?
C10 C8 C7 110.7 . . ?
C10 C8 C9 122.4 . . ?
C12 C11 Cu15 131.7 . . ?
C12 C11 Cu35 133.7 . . ?
C12 C11 Cu37 127.6 . . ?
Cu15 C11 Cu35 84.8 . . ?
Cu15 C11 Cu37 83.4 . . ?
Cu35 C11 Cu37 75.6 . . ?
C11 C12 C13 177.5 . . ?
C12 C13 C14 107.8 . . ?
C12 C13 C15 109.0 . . ?
C14 C13 C15 113.3 . . ?
C17 C16 Cu10 79.1 . . ?
C17 C16 Cu22 130.4 . . ?
C17 C16 Cu37 144.9 . . ?
Cu22 C16 Cu10 95.2 . . ?
Cu37 C16 Cu10 117.6 . . ?
Cu37 C16 Cu22 81.2 . . ?
C16 C17 C18 171.1 . . ?
C16 C17 Cu10 67.8 . . ?
C18 C17 Cu10 121.1 . . ?
C17 C18 C19 111.7 . . ?
C17 C18 C20 109.1 . . ?
C19 C18 C20 110.6 . . ?
C22 C21 Cu15 83.1 . . ?
C22 C21 Cu22 83.6 . . ?
C22 C21 Cu32 172.1 . . ?
Cu22 C21 Cu15 80.7 . . ?
Cu32 C21 Cu15 93.0 . . ?
Cu32 C21 Cu22 89.0 . . ?
C21 C22 C23 168.1 . . ?
C21 C22 Cu15 65.3 . . ?
C21 C22 Cu22 64.8 . . ?
C23 C22 Cu15 124.0 . . ?
C23 C22 Cu22 123.3 . . ?
Cu15 C22 Cu22 72.5 . . ?
C22 C23 C24 107.5 . . ?
C22 C23 C25 112.7 . . ?
C25 C23 C24 109.6 . . ?
C27 C26 Cu4 142.9 . . ?
C27 C26 Cu10 138.4 . . ?
C27 C26 Cu24 82.7 . . ?
Cu4 C26 Cu10 78.0 . . ?
Cu4 C26 Cu24 88.5 . . ?
Cu10 C26 Cu24 94.5 . . ?
C26 C27 C28 170.6 . . ?
C26 C27 Cu24 64.7 . . ?
C28 C27 Cu24 124.7 . . ?
C27 C28 C29 107.9 . . ?
C27 C28 C30 110.9 . . ?
C30 C28 C29 104.7 . . ?
C32 C31 Cu24 77.5 . . ?
C32 C31 Cu28 173.3 . . ?
Cu28 C31 Cu24 106.9 . . ?
C31 C32 C33 168.6 . . ?
C31 C32 Cu24 68.8 . . ?
C33 C32 Cu24 122.5 . . ?
C32 C33 C34 108.9 . . ?
C32 C33 C35 109.2 . . ?
C35 C33 C34 110.6 . . ?
C37 C36 Cu5 169.7 . . ?
C37 C36 Cu29 76.9 . . ?
Cu5 C36 Cu29 110.3 . . ?
C36 C37 C38 166.8 . . ?
C36 C37 Cu29 69.1 . . ?
C38 C37 Cu29 123.7 . . ?
C37 C38 C39 112.7 . . ?
C37 C38 C40 109.1 . . ?
C39 C38 C40 108.9 . . ?
C42 C41 Cu17 155.2 . . ?
C42 C41 Cu25 126.7 . . ?
C42 C41 Cu31 75.6 . . ?
Cu17 C41 Cu25 77.0 . . ?
Cu17 C41 Cu31 89.4 . . ?
Cu31 C41 Cu25 141.1 . . ?
C41 C42 C43 166.7 . . ?
C41 C42 Cu31 70.1 . . ?
C43 C42 Cu31 122.1 . . ?
C42 C43 C44 110.5 . . ?
C42 C43 C45 110.9 . . ?
C45 C43 C44 113.6 . . ?
C47 C46 Cu8 130.0 . . ?
C47 C46 Cu25 126.2 . . ?
C47 C46 Cu29 135.6 . . ?
Cu8 C46 Cu25 84.3 . . ?
Cu29 C46 Cu8 81.5 . . ?
Cu29 C46 Cu25 80.8 . . ?
C46 C47 C48 176.8 . . ?
C47 C48 C49 108.9 . . ?
C50 C48 C47 110.5 . . ?
C50 C48 C49 111.7 . . ?
C52 C51 Cu8 95.5 . . ?
C52 C51 Cu43 103.5 . . ?
C52 C51 Cu46 169.9 . . ?
Cu43 C51 Cu8 83.3 . . ?
Cu46 C51 Cu8 93.8 . . ?
Cu46 C51 Cu43 81.6 . . ?
C51 C52 C53 171.0 . . ?
C51 C52 Cu8 57.8 . . ?
C51 C52 Cu43 51.6 . . ?
C53 C52 Cu8 116.9 . . ?
C53 C52 Cu43 120.4 . . ?
Cu8 C52 Cu43 66.7 . . ?
C52 C53 C54 112.9 . . ?
C52 C53 C55 108.2 . . ?
C54 C53 C55 107.4 . . ?
C57 C56 Cu27 165.3 . . ?
C57 C56 Cu43 114.9 . . ?
C57 C56 Cu46 101.9 . . ?
C57 C56 Cu98 112.5 . . ?
Cu27 C56 Cu43 79.1 . . ?
Cu27 C56 Cu46 78.3 . . ?
Cu27 C56 Cu98 78.0 . . ?
Cu43 C56 Cu46 68.7 . . ?
Cu43 C56 Cu98 59.0 . . ?
Cu46 C56 Cu98 125.4 . . ?
C56 C57 C58 174.7 . . ?
C57 C58 C59 103.4 . . ?
C60 C58 C57 108.9 . . ?
C60 C58 C59 111.8 . . ?
C62 C61 Cu34 163.8 . . ?
C62 C61 Cu41 78.0 . . ?
Cu34 C61 Cu41 114.4 . . ?
C61 C62 C63 165.7 . . ?
C61 C62 Cu41 67.9 . . ?
C63 C62 Cu41 126.4 . . ?
C64 C63 C62 108.5 . . ?
C65 C63 C62 119.2 . . ?
C65 C63 C64 127.1 . . ?
C67 C66 Cu19 160.4 . . ?
C67 C66 Cu23 120.0 . . ?
C67 C66 Cu32 77.3 . . ?
Cu19 C66 Cu23 78.5 . . ?
Cu19 C66 Cu32 90.8 . . ?
Cu32 C66 Cu23 144.7 . . ?
C66 C67 C68 164.9 . . ?
C66 C67 Cu32 68.6 . . ?
C68 C67 Cu32 125.9 . . ?
C67 C68 C69 109.7 . . ?
C70 C68 C67 115.4 . . ?
C70 C68 C69 113.2 . . ?
C72 C71 Cu15 113.8 . . ?
C72 C71 Cu18 169.4 . . ?
C72 C71 Cu34 80.5 . . ?
Cu18 C71 Cu15 76.7 . . ?
Cu18 C71 Cu34 90.7 . . ?
Cu34 C71 Cu15 137.3 . . ?
C71 C72 C73 164.6 . . ?
C71 C72 Cu34 66.9 . . ?
C73 C72 Cu34 127.6 . . ?
C72 C73 C74 111.5 . . ?
C75 C73 C72 110.1 . . ?
C75 C73 C74 126.5 . . ?
C77 C76 Cu45 169.5 . . ?
C77 C76 Cu47 78.2 . . ?
Cu45 C76 Cu47 112.1 . . ?
C76 C77 C78 167.4 . . ?
C76 C77 Cu47 67.2 . . ?
C78 C77 Cu47 124.4 . . ?
C77 C78 C80 106.3 . . ?
C79 C78 C77 112.1 . . ?
C79 C78 C80 112.4 . . ?
C82 C81 Cu21 141.8 . . ?
C82 C81 Cu23 137.4 . . ?
C82 C81 Cu30 78.6 . . ?
Cu21 C81 Cu23 80.0 . . ?
Cu21 C81 Cu30 84.2 . . ?
Cu30 C81 Cu23 124.8 . . ?
C81 C82 C83 167.2 . . ?
C81 C82 Cu30 67.9 . . ?
C83 C82 Cu30 123.8 . . ?
C82 C83 C84 106.2 . . ?
C85 C83 C82 110.1 . . ?
C85 C83 C84 123.6 . . ?
C87 C86 Cu4 117.8 . . ?
C87 C86 Cu12 165.7 . . ?
C87 C86 Cu30 78.7 . . ?
Cu12 C86 Cu4 75.3 . . ?
Cu12 C86 Cu30 91.3 . . ?
Cu30 C86 Cu4 111.1 . . ?
C86 C87 C88 171.3 . . ?
C86 C87 Cu30 67.7 . . ?
C88 C87 Cu30 120.6 . . ?
C87 C88 C90 108.3 . . ?
C89 C88 C87 113.2 . . ?
C89 C88 C90 110.9 . . ?
C92 C91 Cu14 168.7 . . ?
C92 C91 Cu26 111.2 . . ?
C92 C91 Cu28 77.8 . . ?
Cu14 C91 Cu26 78.7 . . ?
Cu14 C91 Cu28 90.9 . . ?
Cu28 C91 Cu26 143.9 . . ?
C91 C92 C93 168.6 . . ?
C91 C92 Cu28 68.8 . . ?
C93 C92 Cu28 121.7 . . ?
C92 C93 C94 112.9 . . ?
C92 C93 C95 109.5 . . ?
C94 C93 C95 106.2 . . ?
C97 C96 Cu9 131.0 . . ?
C97 C96 Cu26 98.6 . . ?
C97 C96 Cu31 150.2 . . ?
Cu9 C96 Cu26 83.7 . . ?
Cu31 C96 Cu9 77.9 . . ?
Cu31 C96 Cu26 91.3 . . ?
C96 C97 C98 179.1 . . ?
C97 C98 C100 110.9 . . ?
C99 C98 C97 107.6 . . ?
C99 C98 C100 109.1 . . ?
C102 C101 Cu26 112.5 . . ?
C102 C101 Cu36 148.8 . . ?
C102 C101 Cu42 128.6 . . ?
Cu26 C101 Cu42 85.1 . . ?
Cu36 C101 Cu26 88.0 . . ?
Cu36 C101 Cu42 74.2 . . ?
C101 C102 C103 176.3 . . ?
C102 C103 C104 111.0 . . ?
C102 C103 C105 111.5 . . ?
C105 C103 C104 115.8 . . ?
C107 C106 Cu9 73.9 . . ?
C107 C106 Cu11 164.5 . . ?
C107 C106 Cu42 80.0 . . ?
Cu11 C106 Cu9 107.4 . . ?
Cu11 C106 Cu42 115.5 . . ?
Cu42 C106 Cu9 81.6 . . ?
C106 C107 C108 165.2 . . ?
C106 C107 Cu9 72.0 . . ?
C106 C107 Cu42 66.6 . . ?
C108 C107 Cu9 119.2 . . ?
C108 C107 Cu42 123.4 . . ?
Cu9 C107 Cu42 77.7 . . ?
C107 C108 C109 109.2 . . ?
C107 C108 C110 110.8 . . ?
C110 C108 C109 111.8 . . ?
C112 C111 Cu2 169.4 . . ?
C112 C111 Cu8 109.7 . . ?
C112 C111 Cu38 79.9 . . ?
Cu2 C111 Cu8 79.4 . . ?
Cu2 C111 Cu38 89.5 . . ?
Cu38 C111 Cu8 146.9 . . ?
C111 C112 C113 170.0 . . ?
C111 C112 Cu38 66.9 . . ?
C113 C112 Cu38 122.8 . . ?
C112 C113 C114 109.2 . . ?
C112 C113 C115 109.6 . . ?
C114 C113 C115 110.7 . . ?
C117 C116 Cu7 168.0 . . ?
C117 C116 Cu39 107.3 . . ?
C117 C116 Cu46 77.5 . . ?
Cu7 C116 Cu39 79.6 . . ?
Cu7 C116 Cu46 91.1 . . ?
Cu46 C116 Cu39 143.6 . . ?
C116 C117 Cu46 68.6 . . ?
C116 C117 C118 155.1 . . ?
C118 C117 Cu46 132.9 . . ?
C122 C121 Cu23 79.0 . . ?
C122 C121 Cu39 78.4 . . ?
C122 C121 Cu47 175.9 . . ?
Cu39 C121 Cu23 83.6 . . ?
Cu47 C121 Cu23 97.0 . . ?
Cu47 C121 Cu39 100.3 . . ?
C121 C122 C123 165.4 . . ?
C121 C122 Cu23 68.2 . . ?
C121 C122 Cu39 68.5 . . ?
C123 C122 Cu23 119.5 . . ?
C123 C122 Cu39 123.8 . . ?
Cu39 C122 Cu23 78.3 . . ?
C122 C123 C124 109.2 . . ?
C122 C123 C125 108.9 . . ?
C125 C123 C124 109.5 . . ?
C127 C126 Cu21 119.9 . . ?
C127 C126 Cu38 126.2 . . ?
C127 C126 Cu39 146.3 . . ?
Cu38 C126 Cu21 76.5 . . ?
Cu39 C126 Cu21 79.4 . . ?
Cu39 C126 Cu38 83.3 . . ?
C126 C127 C128 178.8 . . ?
C127 C128 C129 109.2 . . ?
C127 C128 C130 110.8 . . ?
C129 C128 C130 105.1 . . ?
C132 C131 Cu6 175.1 . . ?
C132 C131 Cu9 105.9 . . ?
C132 C131 Cu31 106.0 . . ?
C132 C131 Cu40 86.3 . . ?
C132 C131 Cu48 82.8 . . ?
Cu6 C131 Cu9 79.0 . . ?
Cu6 C131 Cu31 75.3 . . ?
Cu6 C131 Cu40 92.1 . . ?
Cu6 C131 Cu48 92.3 . . ?
Cu9 C131 Cu31 66.1 . . ?
Cu9 C131 Cu40 115.1 . . ?
Cu9 C131 Cu48 166.7 . . ?
Cu40 C131 Cu31 167.0 . . ?
Cu40 C131 Cu48 74.8 . . ?
Cu48 C131 Cu31 102.2 . . ?
C131 C132 C133 173.7 . . ?
C131 C132 Cu40 63.8 . . ?
C131 C132 Cu48 66.6 . . ?
C133 C132 Cu40 122.4 . . ?
C133 C132 Cu48 113.8 . . ?
Cu48 C132 Cu40 67.2 . . ?
C132 C133 C134 109.0 . . ?
C135 C133 C132 108.9 . . ?
C135 C133 C134 110.9 . . ?
C137 C136 Cu40 112.1 . . ?
C137 C136 Cu44 172.6 . . ?
C137 C136 Cu48 101.8 . . ?
C137 C136 Cu90 77.5 . . ?
C137 C136 Cu98 89.7 . . ?
Cu40 C136 Cu48 79.7 . . ?
Cu44 C136 Cu40 74.7 . . ?
Cu44 C136 Cu48 82.1 . . ?
Cu44 C136 Cu90 105.8 . . ?
Cu44 C136 Cu98 89.1 . . ?
Cu98 C136 Cu90 158.1 . . ?
C136 C137 C138 172.1 . . ?
C136 C137 Cu90 70.4 . . ?
C136 C137 Cu98 60.1 . . ?
C138 C137 Cu90 114.3 . . ?
C138 C137 Cu98 117.0 . . ?
Cu90 C137 Cu98 127.5 . . ?
C140 C138 C137 114.5 . . ?
C140 C138 C139 125.8 . . ?
C137 C138 C940 96.7 . . ?
C139 C138 C940 133.9 . . ?
C139 C138 C137 115.1 . . ?
C142 C141 Cu25 76.2 . . ?
C142 C141 Cu43 106.9 . . ?
C142 C141 Cu48 149.0 . . ?
C142 C141 Cu98 158.6 . . ?
Cu25 C141 Cu48 100.2 . . ?
Cu43 C141 Cu25 85.9 . . ?
Cu43 C141 Cu48 103.5 . . ?
Cu98 C141 Cu25 124.6 . . ?
Cu98 C141 Cu43 73.0 . . ?
C143 C142 Cu25 121.7 . . ?
C943 C142 Cu25 115.8 . . ?
C141 C142 C143 159.5 . . ?
C141 C142 C943 165.3 . . ?
C141 C142 Cu25 74.2 . . ?
C148 C146 Cu4 82.5 . . ?
C148 C146 Cu16 177.5 . . ?
C148 C146 Cu22 105.2 . . ?
Cu4 C146 Cu22 114.6 . . ?
Cu16 C146 Cu4 97.0 . . ?
Cu16 C146 Cu22 77.2 . . ?
C146 C148 C149 174.3 . . ?
C146 C148 Cu4 66.4 . . ?
C149 C148 Cu4 119.3 . . ?
C148 C149 C150 108.9 . . ?
C148 C149 C151 108.8 . . ?
C151 C149 C150 113.5 . . ?
C153 C152 Cu11 73.8 . . ?
C153 C152 Cu40 83.5 . . ?
C153 C152 Cu41 169.3 . . ?
C153 C152 Cu90 97.5 . . ?
Cu40 C152 Cu11 79.2 . . ?
Cu41 C152 Cu11 95.5 . . ?
Cu41 C152 Cu40 95.1 . . ?
Cu41 C152 Cu90 89.9 . . ?
Cu90 C152 Cu11 131.0 . . ?
C152 C153 C154 164.7 . . ?
C152 C153 Cu11 73.8 . . ?
C152 C153 Cu40 65.1 . . ?
C152 C153 Cu90 53.8 . . ?
C154 C153 Cu11 118.3 . . ?
C154 C153 Cu40 125.1 . . ?
C154 C153 Cu90 123.4 . . ?
Cu11 C153 Cu40 75.0 . . ?
Cu11 C153 Cu90 109.9 . . ?
C153 C154 C155 107.1 . . ?
C153 C154 C156 108.8 . . ?
C156 C154 C155 108.7 . . ?
C158 C157 Cu3 162.9 . . ?
C158 C157 Cu10 106.2 . . ?
C158 C157 Cu36 73.7 . . ?
Cu3 C157 Cu10 86.8 . . ?
Cu3 C157 Cu36 106.7 . . ?
Cu36 C157 Cu10 130.1 . . ?
C157 C158 C159 167.1 . . ?
C157 C158 Cu36 71.6 . . ?
C159 C158 Cu36 121.1 . . ?
C158 C159 C161 109.1 . . ?
C160 C159 C158 109.7 . . ?
C160 C159 C161 114.6 . . ?
C163 C162 Cu12 95.8 . . ?
C163 C162 Cu13 161.7 . . ?
C163 C162 Cu21 118.0 . . ?
C163 C162 Cu38 110.0 . . ?
Cu13 C162 Cu12 74.6 . . ?
Cu13 C162 Cu21 80.4 . . ?
Cu13 C162 Cu38 75.4 . . ?
Cu21 C162 Cu12 115.3 . . ?
Cu21 C162 Cu38 68.7 . . ?
Cu38 C162 Cu12 148.4 . . ?
C162 C163 C164 178.3 . . ?
C163 C164 C166 109.5 . . ?
C165 C164 C163 110.6 . . ?
C165 C164 C166 121.5 . . ?
O7 Cl1 O10 111.8 . . ?
O8 Cl1 O7 108.4 . . ?
O8 Cl1 O9 112.7 . . ?
O8 Cl1 O10 116.9 . . ?
O9 Cl1 O7 98.2 . . ?
O9 Cl1 O10 107.3 . . ?
O11 Cl2 O13 111.8 . . ?
O11 Cl2 O14 106.0 . . ?
O12 Cl2 O11 113.8 . . ?
O12 Cl2 O13 110.2 . . ?
O12 Cl2 O14 106.3 . . ?
O13 Cl2 O14 108.4 . . ?
O15 Cl3 O16 108.8 . . ?
O15 Cl3 O17 109.7 . . ?
O15 Cl3 O18 118.9 . . ?
O16 Cl3 O17 113.4 . . ?
O18 Cl3 O16 106.2 . . ?
O18 Cl3 O17 99.9 . . ?
O19 Cl4 O20 104.6 . . ?
O19 Cl4 O21 108.2 . . ?
O21 Cl4 O20 110.8 . . ?
Cu33 Cu1 Cu13 130.6 . . ?
O1 Cu1 Cu13 38.0 . . ?
O1 Cu1 Cu33 134.9 . . ?
O1 Cu1 O5 94.0 . . ?
O2 Cu1 Cu13 99.3 . . ?
O2 Cu1 Cu33 42.1 . . ?
O2 Cu1 O1 92.8 . . ?
O2 Cu1 O3 84.2 . . ?
O2 Cu1 O4 174.7 . . ?
O2 Cu1 O5 95.3 . . ?
O3 Cu1 Cu13 141.7 . . ?
O3 Cu1 Cu33 42.1 . . ?
O3 Cu1 O1 176.8 . . ?
O3 Cu1 O4 93.2 . . ?
O3 Cu1 O5 87.1 . . ?
O4 Cu1 Cu13 80.0 . . ?
O4 Cu1 Cu33 135.2 . . ?
O4 Cu1 O1 89.8 . . ?
O4 Cu1 O5 89.1 . . ?
O5 Cu1 Cu13 130.0 . . ?
O5 Cu1 Cu33 90.3 . . ?
C111 Cu2 Cu5 110.0 . . ?
C111 Cu2 Cu7 102.1 . . ?
C111 Cu2 Cu8 55.3 . . ?
C111 Cu2 Cu13 100.9 . . ?
C111 Cu2 Cu17 137.0 . . ?
C111 Cu2 Cu27 130.4 . . ?
C111 Cu2 Cu29 80.1 . . ?
C111 Cu2 Cu38 48.2 . . ?
Cu7 Cu2 Cu5 117.5 . . ?
Cu8 Cu2 Cu5 126.0 . . ?
Cu8 Cu2 Cu7 116.4 . . ?
Cu8 Cu2 Cu13 154.9 . . ?
Cu8 Cu2 Cu17 89.2 . . ?
Cu8 Cu2 Cu27 89.6 . . ?
Cu8 Cu2 Cu29 59.0 . . ?
Cu8 Cu2 Cu38 98.3 . . ?
Cu13 Cu2 Cu5 65.9 . . ?
Cu13 Cu2 Cu7 56.2 . . ?
Cu13 Cu2 Cu17 115.9 . . ?
Cu17 Cu2 Cu5 69.4 . . ?
Cu17 Cu2 Cu7 116.3 . . ?
Cu27 Cu2 Cu5 119.3 . . ?
Cu27 Cu2 Cu7 60.0 . . ?
Cu27 Cu2 Cu13 103.3 . . ?
Cu27 Cu2 Cu17 63.4 . . ?
Cu27 Cu2 Cu29 113.2 . . ?
Cu27 Cu2 Cu38 119.0 . . ?
Cu29 Cu2 Cu5 67.6 . . ?
Cu29 Cu2 Cu7 172.6 . . ?
Cu29 Cu2 Cu13 130.6 . . ?
Cu29 Cu2 Cu17 59.4 . . ?
Cu29 Cu2 Cu38 122.5 . . ?
Cu38 Cu2 Cu5 103.8 . . ?
Cu38 Cu2 Cu7 62.7 . . ?
Cu38 Cu2 Cu13 56.6 . . ?
Cu38 Cu2 Cu17 172.1 . . ?
O4 Cu2 C111 171.9 . . ?
O4 Cu2 Cu5 75.9 . . ?
O4 Cu2 Cu7 79.1 . . ?
O4 Cu2 Cu8 116.9 . . ?
O4 Cu2 Cu13 86.5 . . ?
O4 Cu2 Cu17 38.9 . . ?
O4 Cu2 Cu27 43.4 . . ?
O4 Cu2 Cu29 97.7 . . ?
O4 Cu2 Cu38 137.0 . . ?
C157 Cu3 Cu5 136.6 . . ?
C157 Cu3 Cu10 51.1 . . ?
C157 Cu3 Cu12 137.0 . . ?
C157 Cu3 Cu14 90.1 . . ?
C157 Cu3 Cu16 113.2 . . ?
C157 Cu3 Cu24 71.6 . . ?
C157 Cu3 Cu28 80.4 . . ?
C157 Cu3 O6 173.6 . . ?
Cu10 Cu3 Cu5 156.6 . . ?
Cu10 Cu3 Cu12 96.7 . . ?
Cu10 Cu3 Cu14 136.7 . . ?
Cu10 Cu3 Cu16 71.2 . . ?
Cu10 Cu3 Cu24 64.8 . . ?
Cu10 Cu3 Cu28 120.5 . . ?
Cu12 Cu3 Cu5 63.2 . . ?
Cu12 Cu3 Cu14 126.7 . . ?
Cu12 Cu3 Cu16 71.3 . . ?
Cu14 Cu3 Cu5 64.6 . . ?
Cu16 Cu3 Cu5 109.9 . . ?
Cu16 Cu3 Cu14 118.8 . . ?
Cu24 Cu3 Cu5 95.2 . . ?
Cu24 Cu3 Cu12 68.4 . . ?
Cu24 Cu3 Cu14 126.8 . . ?
Cu24 Cu3 Cu16 114.3 . . ?
Cu28 Cu3 Cu5 56.5 . . ?
Cu28 Cu3 Cu12 99.1 . . ?
Cu28 Cu3 Cu14 58.7 . . ?
Cu28 Cu3 Cu16 166.4 . . ?
Cu28 Cu3 Cu24 69.0 . . ?
O6 Cu3 Cu5 37.9 . . ?
O6 Cu3 Cu10 131.9 . . ?
O6 Cu3 Cu12 41.2 . . ?
O6 Cu3 Cu14 88.9 . . ?
O6 Cu3 Cu16 72.7 . . ?
O6 Cu3 Cu24 104.1 . . ?
O6 Cu3 Cu28 93.7 . . ?
C26 Cu4 C86 118.5 . . ?
C26 Cu4 C146 131.4 . . ?
C26 Cu4 C148 124.5 . . ?
C26 Cu4 Cu10 51.4 . . ?
C26 Cu4 Cu12 119.7 . . ?
C26 Cu4 Cu16 122.7 . . ?
C26 Cu4 Cu24 46.5 . . ?
C86 Cu4 C146 109.2 . . ?
C86 Cu4 C148 100.8 . . ?
C86 Cu4 Cu10 156.4 . . ?
C86 Cu4 Cu12 48.4 . . ?
C86 Cu4 Cu16 110.3 . . ?
C86 Cu4 Cu24 90.2 . . ?
C146 Cu4 C148 31.1 . . ?
C146 Cu4 Cu10 87.1 . . ?
C146 Cu4 Cu12 98.1 . . ?
C146 Cu4 Cu16 38.2 . . ?
C146 Cu4 Cu24 145.5 . . ?
C148 Cu4 Cu10 101.7 . . ?
C148 Cu4 Cu12 115.6 . . ?
C148 Cu4 Cu16 69.2 . . ?
C148 Cu4 Cu24 168.8 . . ?
Cu10 Cu4 Cu16 71.8 . . ?
Cu10 Cu4 Cu24 67.6 . . ?
Cu12 Cu4 Cu10 114.0 . . ?
Cu12 Cu4 Cu16 73.6 . . ?
Cu12 Cu4 Cu24 73.2 . . ?
Cu24 Cu4 Cu16 108.9 . . ?
C36 Cu5 Cu2 87.1 . . ?
C36 Cu5 Cu3 144.6 . . ?
C36 Cu5 Cu12 135.0 . . ?
C36 Cu5 Cu28 85.7 . . ?
C36 Cu5 O6 171.6 . . ?
Cu2 Cu5 Cu12 105.3 . . ?
Cu3 Cu5 Cu2 124.9 . . ?
Cu3 Cu5 Cu12 57.1 . . ?
Cu28 Cu5 Cu2 155.3 . . ?
Cu28 Cu5 Cu3 59.0 . . ?
Cu28 Cu5 Cu12 96.5 . . ?
O6 Cu5 Cu2 94.4 . . ?
O6 Cu5 Cu3 38.1 . . ?
O6 Cu5 Cu12 36.7 . . ?
O6 Cu5 Cu28 96.3 . . ?
C131 Cu6 Cu9 55.8 . . ?
C131 Cu6 Cu14 125.5 . . ?
C131 Cu6 Cu17 98.3 . . ?
C131 Cu6 Cu20 118.4 . . ?
C131 Cu6 Cu31 62.0 . . ?
C131 Cu6 Cu40 48.8 . . ?
C131 Cu6 Cu44 86.0 . . ?
C131 Cu6 Cu48 48.8 . . ?
Cu9 Cu6 Cu14 87.1 . . ?
Cu9 Cu6 Cu17 118.4 . . ?
Cu9 Cu6 Cu20 114.6 . . ?
Cu9 Cu6 Cu31 57.4 . . ?
Cu9 Cu6 Cu40 83.9 . . ?
Cu9 Cu6 Cu44 131.3 . . ?
Cu9 Cu6 Cu48 104.0 . . ?
Cu14 Cu6 Cu20 112.7 . . ?
Cu14 Cu6 Cu40 171.0 . . ?
Cu14 Cu6 Cu44 141.5 . . ?
Cu14 Cu6 Cu48 129.2 . . ?
Cu17 Cu6 Cu14 63.2 . . ?
Cu17 Cu6 Cu20 126.2 . . ?
Cu17 Cu6 Cu40 122.2 . . ?
Cu17 Cu6 Cu44 93.8 . . ?
Cu17 Cu6 Cu48 68.2 . . ?
Cu31 Cu6 Cu14 64.5 . . ?
Cu31 Cu6 Cu17 61.1 . . ?
Cu31 Cu6 Cu20 171.0 . . ?
Cu31 Cu6 Cu40 110.7 . . ?
Cu31 Cu6 Cu44 133.0 . . ?
Cu31 Cu6 Cu48 80.1 . . ?
Cu40 Cu6 Cu20 70.7 . . ?
Cu40 Cu6 Cu44 47.4 . . ?
Cu40 Cu6 Cu48 54.4 . . ?
Cu44 Cu6 Cu20 54.8 . . ?
Cu48 Cu6 Cu20 107.0 . . ?
Cu48 Cu6 Cu44 53.0 . . ?
O3 Cu6 C131 165.3 . . ?
O3 Cu6 Cu9 112.8 . . ?
O3 Cu6 Cu14 40.4 . . ?
O3 Cu6 Cu17 78.7 . . ?
O3 Cu6 Cu20 73.7 . . ?
O3 Cu6 Cu31 104.7 . . ?
O3 Cu6 Cu40 144.4 . . ?
O3 Cu6 Cu44 108.4 . . ?
O3 Cu6 Cu48 139.0 . . ?
C116 Cu7 Cu2 103.1 . . ?
C116 Cu7 Cu13 130.2 . . ?
C116 Cu7 Cu19 137.5 . . ?
C116 Cu7 Cu27 102.0 . . ?
C116 Cu7 Cu38 76.0 . . ?
C116 Cu7 Cu39 55.3 . . ?
C116 Cu7 Cu46 47.3 . . ?
C116 Cu7 Cu47 85.4 . . ?
C116 Cu7 O1 170.9 . . ?
Cu2 Cu7 Cu19 112.7 . . ?
Cu2 Cu7 Cu38 55.8 . . ?
Cu13 Cu7 Cu2 59.5 . . ?
Cu13 Cu7 Cu19 59.3 . . ?
Cu13 Cu7 Cu27 103.1 . . ?
Cu13 Cu7 Cu38 55.3 . . ?
Cu13 Cu7 Cu46 120.2 . . ?
Cu13 Cu7 Cu47 112.2 . . ?
Cu27 Cu7 Cu2 56.4 . . ?
Cu27 Cu7 Cu19 116.5 . . ?
Cu27 Cu7 Cu38 109.2 . . ?
Cu27 Cu7 Cu47 125.8 . . ?
Cu38 Cu7 Cu19 105.6 . . ?
Cu39 Cu7 Cu2 112.8 . . ?
Cu39 Cu7 Cu13 86.8 . . ?
Cu39 Cu7 Cu19 89.1 . . ?
Cu39 Cu7 Cu27 154.3 . . ?
Cu39 Cu7 Cu38 57.2 . . ?
Cu39 Cu7 Cu46 96.1 . . ?
Cu39 Cu7 Cu47 69.0 . . ?
Cu46 Cu7 Cu2 64.7 . . ?
Cu46 Cu7 Cu19 174.8 . . ?
Cu46 Cu7 Cu27 58.3 . . ?
Cu46 Cu7 Cu38 76.9 . . ?
Cu46 Cu7 Cu47 124.5 . . ?
Cu47 Cu7 Cu2 170.8 . . ?
Cu47 Cu7 Cu19 58.1 . . ?
Cu47 Cu7 Cu38 124.5 . . ?
O1 Cu7 Cu2 79.6 . . ?
O1 Cu7 Cu13 43.8 . . ?
O1 Cu7 Cu19 36.0 . . ?
O1 Cu7 Cu27 86.8 . . ?
O1 Cu7 Cu38 99.0 . . ?
O1 Cu7 Cu39 115.6 . . ?
O1 Cu7 Cu46 139.6 . . ?
O1 Cu7 Cu47 91.4 . . ?
C46 Cu8 C51 131.7 . . ?
C46 Cu8 C52 108.1 . . ?
C46 Cu8 C111 119.4 . . ?
C46 Cu8 Cu2 111.2 . . ?
C46 Cu8 Cu25 48.3 . . ?
C46 Cu8 Cu29 48.5 . . ?
C46 Cu8 Cu43 105.3 . . ?
C46 Cu8 Cu46 159.1 . . ?
C51 Cu8 C52 26.8 . . ?
C51 Cu8 C111 107.9 . . ?
C51 Cu8 Cu2 108.5 . . ?
C51 Cu8 Cu25 107.3 . . ?
C51 Cu8 Cu29 162.5 . . ?
C51 Cu8 Cu43 48.0 . . ?
C51 Cu8 Cu46 41.4 . . ?
C52 Cu8 Cu2 135.2 . . ?
C52 Cu8 Cu25 101.6 . . ?
C52 Cu8 Cu29 155.3 . . ?
C52 Cu8 Cu43 58.5 . . ?
C52 Cu8 Cu46 68.1 . . ?
C111 Cu8 C52 125.6 . . ?
C111 Cu8 Cu2 45.3 . . ?
C111 Cu8 Cu25 129.2 . . ?
C111 Cu8 Cu29 78.5 . . ?
C111 Cu8 Cu43 124.8 . . ?
C111 Cu8 Cu46 75.5 . . ?
Cu2 Cu8 Cu25 89.1 . . ?
Cu2 Cu8 Cu29 63.9 . . ?
Cu2 Cu8 Cu43 90.6 . . ?
Cu2 Cu8 Cu46 67.5 . . ?
Cu25 Cu8 Cu46 111.3 . . ?
Cu29 Cu8 Cu25 58.5 . . ?
Cu29 Cu8 Cu43 114.8 . . ?
Cu29 Cu8 Cu46 130.1 . . ?
Cu43 Cu8 Cu25 62.7 . . ?
Cu43 Cu8 Cu46 54.7 . . ?
C96 Cu9 C106 144.8 . . ?
C96 Cu9 C107 112.6 . . ?
C96 Cu9 C131 105.1 . . ?
C96 Cu9 Cu6 110.5 . . ?
C96 Cu9 Cu26 49.0 . . ?
C96 Cu9 Cu31 49.8 . . ?
C96 Cu9 Cu42 107.5 . . ?
C106 Cu9 C107 34.2 . . ?
C106 Cu9 C131 110.0 . . ?
C106 Cu9 Cu6 95.6 . . ?
C106 Cu9 Cu26 108.8 . . ?
C106 Cu9 Cu31 156.8 . . ?
C106 Cu9 Cu42 48.7 . . ?
C107 Cu9 C131 138.4 . . ?
C107 Cu9 Cu6 128.2 . . ?
C107 Cu9 Cu26 94.5 . . ?
C107 Cu9 Cu31 159.8 . . ?
C107 Cu9 Cu42 52.8 . . ?
C131 Cu9 Cu6 45.2 . . ?
C131 Cu9 Cu26 124.1 . . ?
C131 Cu9 Cu31 61.8 . . ?
C131 Cu9 Cu42 130.1 . . ?
Cu6 Cu9 Cu26 92.7 . . ?
Cu6 Cu9 Cu42 87.8 . . ?
Cu31 Cu9 Cu6 62.8 . . ?
Cu31 Cu9 Cu26 66.6 . . ?
Cu31 Cu9 Cu42 117.8 . . ?
Cu42 Cu9 Cu26 61.2 . . ?
C16 Cu10 C17 33.1 . . ?
C16 Cu10 C157 112.6 . . ?
C16 Cu10 Cu3 120.0 . . ?
C16 Cu10 Cu4 121.3 . . ?
C16 Cu10 Cu22 40.9 . . ?
C16 Cu10 Cu24 177.1 . . ?
C17 Cu10 Cu3 148.8 . . ?
C17 Cu10 Cu4 127.8 . . ?
C17 Cu10 Cu22 66.3 . . ?
C17 Cu10 Cu24 147.7 . . ?
C26 Cu10 C16 139.5 . . ?
C26 Cu10 C17 113.6 . . ?
C26 Cu10 C157 105.5 . . ?
C26 Cu10 Cu3 97.3 . . ?
C26 Cu10 Cu4 50.6 . . ?
C26 Cu10 Cu22 121.2 . . ?
C26 Cu10 Cu24 43.2 . . ?
C157 Cu10 C17 120.2 . . ?
C157 Cu10 Cu3 42.0 . . ?
C157 Cu10 Cu4 111.9 . . ?
C157 Cu10 Cu22 125.4 . . ?
C157 Cu10 Cu24 64.5 . . ?
Cu3 Cu10 Cu22 101.8 . . ?
Cu3 Cu10 Cu24 58.1 . . ?
Cu4 Cu10 Cu3 74.9 . . ?
Cu4 Cu10 Cu22 81.9 . . ?
Cu4 Cu10 Cu24 60.9 . . ?
Cu24 Cu10 Cu22 140.5 . . ?
C1 Cu11 C152 100.5 . . ?
C1 Cu11 C153 129.3 . . ?
C1 Cu11 Cu20 44.5 . . ?
C1 Cu11 Cu40 117.9 . . ?
C1 Cu11 Cu41 64.8 . . ?
C106 Cu11 C1 122.6 . . ?
C106 Cu11 C152 134.8 . . ?
C106 Cu11 C153 102.7 . . ?
C106 Cu11 Cu20 125.6 . . ?
C106 Cu11 Cu40 110.9 . . ?
C106 Cu11 Cu41 172.4 . . ?
C152 Cu11 C153 32.3 . . ?
C152 Cu11 Cu20 93.7 . . ?
C152 Cu11 Cu40 49.3 . . ?
C152 Cu11 Cu41 39.1 . . ?
C153 Cu11 Cu20 123.8 . . ?
C153 Cu11 Cu40 54.8 . . ?
C153 Cu11 Cu41 71.4 . . ?
Cu20 Cu11 Cu40 80.1 . . ?
Cu20 Cu11 Cu41 57.4 . . ?
Cu40 Cu11 Cu41 61.9 . . ?
C86 Cu12 C162 100.9 . . ?
C86 Cu12 Cu3 128.4 . . ?
C86 Cu12 Cu4 56.3 . . ?
C86 Cu12 Cu5 156.6 . . ?
C86 Cu12 Cu13 127.3 . . ?
C86 Cu12 Cu30 45.9 . . ?
C162 Cu12 Cu3 130.4 . . ?
C162 Cu12 Cu4 147.6 . . ?
C162 Cu12 Cu5 77.4 . . ?
C162 Cu12 Cu13 42.8 . . ?
C162 Cu12 Cu30 67.6 . . ?
Cu3 Cu12 Cu5 59.7 . . ?
Cu4 Cu12 Cu3 74.3 . . ?
Cu4 Cu12 Cu5 133.0 . . ?
Cu4 Cu12 Cu13 129.7 . . ?
Cu4 Cu12 Cu30 80.4 . . ?
Cu13 Cu12 Cu3 94.5 . . ?
Cu13 Cu12 Cu5 66.8 . . ?
Cu13 Cu12 Cu30 81.6 . . ?
Cu30 Cu12 Cu3 143.2 . . ?
Cu30 Cu12 Cu5 144.0 . . ?
O6 Cu12 C86 165.1 . . ?
O6 Cu12 C162 90.3 . . ?
O6 Cu12 Cu3 40.3 . . ?
O6 Cu12 Cu4 109.4 . . ?
O6 Cu12 Cu5 35.8 . . ?
O6 Cu12 Cu13 56.7 . . ?
O6 Cu12 Cu30 133.5 . . ?
C162 Cu13 Cu1 150.5 . . ?
C162 Cu13 Cu2 97.6 . . ?
C162 Cu13 Cu7 127.4 . . ?
C162 Cu13 Cu12 62.5 . . ?
C162 Cu13 Cu19 136.2 . . ?
C162 Cu13 Cu21 53.5 . . ?
C162 Cu13 Cu38 61.1 . . ?
C162 Cu13 O6 96.3 . . ?
Cu2 Cu13 Cu1 70.1 . . ?
Cu2 Cu13 Cu19 121.7 . . ?
Cu7 Cu13 Cu1 72.6 . . ?
Cu7 Cu13 Cu2 64.3 . . ?
Cu7 Cu13 Cu19 64.9 . . ?
Cu12 Cu13 Cu1 99.3 . . ?
Cu12 Cu13 Cu2 119.5 . . ?
Cu12 Cu13 Cu7 169.8 . . ?
Cu12 Cu13 Cu19 106.7 . . ?
Cu19 Cu13 Cu1 69.1 . . ?
Cu21 Cu13 Cu1 156.0 . . ?
Cu21 Cu13 Cu2 119.1 . . ?
Cu21 Cu13 Cu7 91.0 . . ?
Cu21 Cu13 Cu12 94.6 . . ?
Cu21 Cu13 Cu19 88.2 . . ?
Cu21 Cu13 Cu38 58.4 . . ?
Cu38 Cu13 Cu1 126.1 . . ?
Cu38 Cu13 Cu2 60.8 . . ?
Cu38 Cu13 Cu7 67.3 . . ?
Cu38 Cu13 Cu12 122.8 . . ?
Cu38 Cu13 Cu19 120.0 . . ?
O1 Cu13 C162 169.0 . . ?
O1 Cu13 Cu1 39.7 . . ?
O1 Cu13 Cu2 82.8 . . ?
O1 Cu13 Cu7 43.1 . . ?
O1 Cu13 Cu12 126.8 . . ?
O1 Cu13 Cu19 39.9 . . ?
O1 Cu13 Cu21 116.8 . . ?
O1 Cu13 Cu38 110.3 . . ?
O1 Cu13 O6 94.7 . . ?
O6 Cu13 Cu1 58.1 . . ?
O6 Cu13 Cu2 89.4 . . ?
O6 Cu13 Cu7 129.9 . . ?
O6 Cu13 Cu12 44.0 . . ?
O6 Cu13 Cu19 102.2 . . ?
O6 Cu13 Cu21 138.5 . . ?
O6 Cu13 Cu38 136.6 . . ?
C91 Cu14 Cu3 101.5 . . ?
C91 Cu14 Cu6 134.3 . . ?
C91 Cu14 Cu17 107.9 . . ?
C91 Cu14 Cu26 55.6 . . ?
C91 Cu14 Cu28 47.1 . . ?
C91 Cu14 Cu31 80.3 . . ?
C91 Cu14 Cu36 86.2 . . ?
Cu3 Cu14 Cu17 116.2 . . ?
Cu6 Cu14 Cu3 124.0 . . ?
Cu6 Cu14 Cu17 58.2 . . ?
Cu6 Cu14 Cu31 55.2 . . ?
Cu6 Cu14 Cu36 106.9 . . ?
Cu26 Cu14 Cu3 123.6 . . ?
Cu26 Cu14 Cu6 91.6 . . ?
Cu26 Cu14 Cu17 119.8 . . ?
Cu26 Cu14 Cu28 96.3 . . ?
Cu26 Cu14 Cu31 63.4 . . ?
Cu26 Cu14 Cu36 62.0 . . ?
Cu28 Cu14 Cu3 58.0 . . ?
Cu28 Cu14 Cu6 167.8 . . ?
Cu28 Cu14 Cu17 109.7 . . ?
Cu28 Cu14 Cu31 120.9 . . ?
Cu28 Cu14 Cu36 85.1 . . ?
Cu31 Cu14 Cu3 172.5 . . ?
Cu31 Cu14 Cu17 56.6 . . ?
Cu36 Cu14 Cu3 66.2 . . ?
Cu36 Cu14 Cu17 164.2 . . ?
Cu36 Cu14 Cu31 121.3 . . ?
O3 Cu14 C91 172.1 . . ?
O3 Cu14 Cu3 83.2 . . ?
O3 Cu14 Cu6 40.9 . . ?
O3 Cu14 Cu17 75.1 . . ?
O3 Cu14 Cu26 116.6 . . ?
O3 Cu14 Cu28 139.4 . . ?
O3 Cu14 Cu31 95.9 . . ?
O3 Cu14 Cu36 90.0 . . ?
C11 Cu15 C21 131.6 . . ?
C11 Cu15 C22 101.9 . . ?
C11 Cu15 C71 122.0 . . ?
C11 Cu15 Cu18 112.5 . . ?
C11 Cu15 Cu22 98.8 . . ?
C11 Cu15 Cu32 157.1 . . ?
C11 Cu15 Cu35 47.8 . . ?
C11 Cu15 Cu37 49.7 . . ?
C21 Cu15 C22 31.6 . . ?
C21 Cu15 C71 106.0 . . ?
C21 Cu15 Cu18 104.3 . . ?
C21 Cu15 Cu22 49.5 . . ?
C21 Cu15 Cu32 40.1 . . ?
C21 Cu15 Cu35 156.0 . . ?
C21 Cu15 Cu37 104.3 . . ?
C22 Cu15 Cu18 134.1 . . ?
C22 Cu15 Cu22 53.9 . . ?
C22 Cu15 Cu32 71.6 . . ?
C22 Cu15 Cu35 145.2 . . ?
C22 Cu15 Cu37 93.2 . . ?
C71 Cu15 C22 131.6 . . ?
C71 Cu15 Cu18 46.8 . . ?
C71 Cu15 Cu22 128.1 . . ?
C71 Cu15 Cu32 74.0 . . ?
C71 Cu15 Cu35 83.2 . . ?
C71 Cu15 Cu37 129.6 . . ?
Cu18 Cu15 Cu22 90.6 . . ?
Cu18 Cu15 Cu32 64.8 . . ?
Cu18 Cu15 Cu35 65.4 . . ?
Cu18 Cu15 Cu37 87.1 . . ?
Cu22 Cu15 Cu32 59.4 . . ?
Cu35 Cu15 Cu22 107.2 . . ?
Cu35 Cu15 Cu32 128.0 . . ?
Cu35 Cu15 Cu37 55.3 . . ?
Cu37 Cu15 Cu22 56.0 . . ?
Cu37 Cu15 Cu32 107.9 . . ?
C146 Cu16 Cu3 110.8 . . ?
C146 Cu16 Cu4 44.8 . . ?
C146 Cu16 Cu18 129.1 . . ?
C146 Cu16 Cu19 102.3 . . ?
C146 Cu16 Cu22 57.2 . . ?
C146 Cu16 Cu32 66.8 . . ?
Cu3 Cu16 Cu4 66.6 . . ?
Cu18 Cu16 Cu3 117.5 . . ?
Cu18 Cu16 Cu4 170.8 . . ?
Cu18 Cu16 Cu19 63.0 . . ?
Cu19 Cu16 Cu3 124.0 . . ?
Cu19 Cu16 Cu4 122.6 . . ?
Cu22 Cu16 Cu3 112.5 . . ?
Cu22 Cu16 Cu4 81.6 . . ?
Cu22 Cu16 Cu18 89.2 . . ?
Cu22 Cu16 Cu19 123.4 . . ?
Cu22 Cu16 Cu32 64.0 . . ?
Cu32 Cu16 Cu3 176.4 . . ?
Cu32 Cu16 Cu4 111.4 . . ?
Cu32 Cu16 Cu18 64.1 . . ?
Cu32 Cu16 Cu19 59.6 . . ?
O2 Cu16 C146 168.6 . . ?
O2 Cu16 Cu3 78.0 . . ?
O2 Cu16 Cu4 144.6 . . ?
O2 Cu16 Cu18 40.5 . . ?
O2 Cu16 Cu19 77.2 . . ?
O2 Cu16 Cu22 113.4 . . ?
O2 Cu16 Cu32 104.0 . . ?
C41 Cu17 Cu2 131.9 . . ?
C41 Cu17 Cu6 103.1 . . ?
C41 Cu17 Cu14 95.4 . . ?
C41 Cu17 Cu25 56.1 . . ?
C41 Cu17 Cu27 139.2 . . ?
C41 Cu17 Cu29 74.7 . . ?
C41 Cu17 Cu31 48.1 . . ?
Cu2 Cu17 Cu14 110.4 . . ?
Cu2 Cu17 Cu27 56.4 . . ?
Cu6 Cu17 Cu2 124.9 . . ?
Cu6 Cu17 Cu14 58.6 . . ?
Cu6 Cu17 Cu27 82.0 . . ?
Cu14 Cu17 Cu27 120.2 . . ?
Cu25 Cu17 Cu2 88.5 . . ?
Cu25 Cu17 Cu6 128.1 . . ?
Cu25 Cu17 Cu14 150.9 . . ?
Cu25 Cu17 Cu27 88.6 . . ?
Cu25 Cu17 Cu29 59.5 . . ?
Cu25 Cu17 Cu31 97.0 . . ?
Cu29 Cu17 Cu2 58.5 . . ?
Cu29 Cu17 Cu6 169.5 . . ?
Cu29 Cu17 Cu14 111.0 . . ?
Cu29 Cu17 Cu27 106.5 . . ?
Cu31 Cu17 Cu2 170.3 . . ?
Cu31 Cu17 Cu6 57.0 . . ?
Cu31 Cu17 Cu14 61.4 . . ?
Cu31 Cu17 Cu27 131.5 . . ?
Cu31 Cu17 Cu29 117.8 . . ?
O4 Cu17 C41 170.9 . . ?
O4 Cu17 Cu2 39.3 . . ?
O4 Cu17 Cu6 85.6 . . ?
O4 Cu17 Cu14 91.5 . . ?
O4 Cu17 Cu25 116.3 . . ?
O4 Cu17 Cu27 38.4 . . ?
O4 Cu17 Cu29 97.2 . . ?
O4 Cu17 Cu31 141.1 . . ?
C71 Cu18 Cu15 56.4 . . ?
C71 Cu18 Cu16 132.7 . . ?
C71 Cu18 Cu19 106.6 . . ?
C71 Cu18 Cu20 103.4 . . ?
C71 Cu18 Cu32 77.1 . . ?
C71 Cu18 Cu34 46.3 . . ?
C71 Cu18 Cu35 84.7 . . ?
C71 Cu18 Cu45 92.1 . . ?
Cu15 Cu18 Cu16 90.2 . . ?
Cu15 Cu18 Cu19 120.5 . . ?
Cu15 Cu18 Cu20 120.0 . . ?
Cu15 Cu18 Cu32 64.2 . . ?
Cu15 Cu18 Cu34 94.1 . . ?
Cu15 Cu18 Cu35 60.4 . . ?
Cu15 Cu18 Cu45 148.5 . . ?
Cu16 Cu18 Cu19 59.4 . . ?
Cu16 Cu18 Cu20 123.1 . . ?
Cu16 Cu18 Cu32 57.3 . . ?
Cu16 Cu18 Cu35 108.4 . . ?
Cu16 Cu18 Cu45 116.3 . . ?
Cu19 Cu18 Cu45 66.6 . . ?
Cu20 Cu18 Cu19 119.4 . . ?
Cu20 Cu18 Cu32 175.4 . . ?
Cu20 Cu18 Cu45 60.9 . . ?
Cu32 Cu18 Cu19 56.4 . . ?
Cu32 Cu18 Cu45 114.6 . . ?
Cu34 Cu18 Cu16 171.6 . . ?
Cu34 Cu18 Cu19 112.3 . . ?
Cu34 Cu18 Cu20 60.4 . . ?
Cu34 Cu18 Cu32 118.6 . . ?
Cu34 Cu18 Cu35 80.0 . . ?
Cu34 Cu18 Cu45 57.5 . . ?
Cu35 Cu18 Cu19 167.1 . . ?
Cu35 Cu18 Cu20 62.0 . . ?
Cu35 Cu18 Cu32 122.5 . . ?
Cu35 Cu18 Cu45 120.1 . . ?
O2 Cu18 C71 172.1 . . ?
O2 Cu18 Cu15 116.0 . . ?
O2 Cu18 Cu16 41.0 . . ?
O2 Cu18 Cu19 74.7 . . ?
O2 Cu18 Cu20 82.2 . . ?
O2 Cu18 Cu32 97.8 . . ?
O2 Cu18 Cu34 140.8 . . ?
O2 Cu18 Cu35 93.2 . . ?
O2 Cu18 Cu45 95.5 . . ?
C66 Cu19 Cu7 133.5 . . ?
C66 Cu19 Cu13 134.5 . . ?
C66 Cu19 Cu16 101.3 . . ?
C66 Cu19 Cu18 100.3 . . ?
C66 Cu19 Cu23 55.2 . . ?
C66 Cu19 Cu32 47.2 . . ?
C66 Cu19 Cu47 79.4 . . ?
Cu13 Cu19 Cu7 55.7 . . ?
Cu13 Cu19 Cu16 78.6 . . ?
Cu13 Cu19 Cu18 116.1 . . ?
Cu13 Cu19 Cu47 110.1 . . ?
Cu16 Cu19 Cu7 123.8 . . ?
Cu16 Cu19 Cu18 57.6 . . ?
Cu16 Cu19 Cu47 167.4 . . ?
Cu18 Cu19 Cu7 112.6 . . ?
Cu23 Cu19 Cu7 88.0 . . ?
Cu23 Cu19 Cu13 86.0 . . ?
Cu23 Cu19 Cu16 122.4 . . ?
Cu23 Cu19 Cu18 155.5 . . ?
Cu23 Cu19 Cu32 96.5 . . ?
Cu23 Cu19 Cu47 68.5 . . ?
Cu32 Cu19 Cu7 172.4 . . ?
Cu32 Cu19 Cu13 130.5 . . ?
Cu32 Cu19 Cu16 58.5 . . ?
Cu32 Cu19 Cu18 61.7 . . ?
Cu32 Cu19 Cu47 116.7 . . ?
Cu47 Cu19 Cu7 59.4 . . ?
Cu47 Cu19 Cu18 109.8 . . ?
O1 Cu19 C66 169.2 . . ?
O1 Cu19 Cu7 36.5 . . ?
O1 Cu19 Cu13 41.1 . . ?
O1 Cu19 Cu16 87.7 . . ?
O1 Cu19 Cu18 89.5 . . ?
O1 Cu19 Cu23 114.9 . . ?
O1 Cu19 Cu32 143.4 . . ?
O1 Cu19 Cu47 93.2 . . ?
C1 Cu20 Cu6 115.1 . . ?
C1 Cu20 Cu11 51.2 . . ?
C1 Cu20 Cu18 98.6 . . ?
C1 Cu20 Cu33 87.5 . . ?
C1 Cu20 Cu34 82.7 . . ?
C1 Cu20 Cu35 43.9 . . ?
C1 Cu20 Cu41 73.2 . . ?
C1 Cu20 Cu44 135.6 . . ?
C1 Cu20 Cu45 140.2 . . ?
Cu11 Cu20 Cu6 69.4 . . ?
Cu11 Cu20 Cu18 142.9 . . ?
Cu11 Cu20 Cu33 91.0 . . ?
Cu11 Cu20 Cu34 125.1 . . ?
Cu11 Cu20 Cu35 85.2 . . ?
Cu11 Cu20 Cu41 67.7 . . ?
Cu11 Cu20 Cu44 93.7 . . ?
Cu11 Cu20 Cu45 154.3 . . ?
Cu18 Cu20 Cu6 118.4 . . ?
Cu18 Cu20 Cu33 63.4 . . ?
Cu18 Cu20 Cu35 58.5 . . ?
Cu18 Cu20 Cu45 62.5 . . ?
Cu33 Cu20 Cu6 68.1 . . ?
Cu34 Cu20 Cu6 162.0 . . ?
Cu34 Cu20 Cu18 58.3 . . ?
Cu34 Cu20 Cu33 118.2 . . ?
Cu34 Cu20 Cu35 77.3 . . ?
Cu34 Cu20 Cu45 57.5 . . ?
Cu35 Cu20 Cu6 117.3 . . ?
Cu35 Cu20 Cu33 55.7 . . ?
Cu35 Cu20 Cu45 118.4 . . ?
Cu41 Cu20 Cu6 108.9 . . ?
Cu41 Cu20 Cu18 130.2 . . ?
Cu41 Cu20 Cu33 157.3 . . ?
Cu41 Cu20 Cu34 71.9 . . ?
Cu41 Cu20 Cu35 112.4 . . ?
Cu41 Cu20 Cu44 67.7 . . ?
Cu41 Cu20 Cu45 92.2 . . ?
Cu44 Cu20 Cu6 61.7 . . ?
Cu44 Cu20 Cu18 122.5 . . ?
Cu44 Cu20 Cu33 123.8 . . ?
Cu44 Cu20 Cu34 103.9 . . ?
Cu44 Cu20 Cu35 178.7 . . ?
Cu44 Cu20 Cu45 62.8 . . ?
Cu45 Cu20 Cu6 104.7 . . ?
Cu45 Cu20 Cu33 110.4 . . ?
O5 Cu20 C1 174.2 . . ?
O5 Cu20 Cu6 68.7 . . ?
O5 Cu20 Cu11 129.6 . . ?
O5 Cu20 Cu18 82.8 . . ?
O5 Cu20 Cu33 98.1 . . ?
O5 Cu20 Cu34 93.4 . . ?
O5 Cu20 Cu35 139.4 . . ?
O5 Cu20 Cu41 101.5 . . ?
O5 Cu20 Cu44 41.3 . . ?
O5 Cu20 Cu45 36.1 . . ?
C81 Cu21 C126 129.2 . . ?
C81 Cu21 C162 123.2 . . ?
C81 Cu21 Cu13 115.0 . . ?
C81 Cu21 Cu23 50.8 . . ?
C81 Cu21 Cu30 48.2 . . ?
C81 Cu21 Cu38 172.0 . . ?
C81 Cu21 Cu39 110.9 . . ?
C126 Cu21 C162 104.3 . . ?
C126 Cu21 Cu13 110.5 . . ?
C126 Cu21 Cu23 109.3 . . ?
C126 Cu21 Cu30 156.9 . . ?
C126 Cu21 Cu38 50.3 . . ?
C126 Cu21 Cu39 48.8 . . ?
C162 Cu21 Cu13 46.1 . . ?
C162 Cu21 Cu23 132.6 . . ?
C162 Cu21 Cu30 75.2 . . ?
C162 Cu21 Cu38 61.2 . . ?
C162 Cu21 Cu39 119.2 . . ?
Cu13 Cu21 Cu30 86.1 . . ?
Cu13 Cu21 Cu39 88.4 . . ?
Cu23 Cu21 Cu13 90.3 . . ?
Cu23 Cu21 Cu30 85.7 . . ?
Cu23 Cu21 Cu39 66.4 . . ?
Cu38 Cu21 Cu13 62.2 . . ?
Cu38 Cu21 Cu23 121.2 . . ?
Cu38 Cu21 Cu30 136.2 . . ?
Cu38 Cu21 Cu39 62.3 . . ?
Cu39 Cu21 Cu30 151.6 . . ?
C16 Cu22 C21 145.1 . . ?
C16 Cu22 C22 115.4 . . ?
C16 Cu22 C146 117.6 . . ?
C16 Cu22 Cu10 43.9 . . ?
C16 Cu22 Cu15 107.5 . . ?
C16 Cu22 Cu16 104.2 . . ?
C16 Cu22 Cu32 161.0 . . ?
C16 Cu22 Cu37 48.8 . . ?
C21 Cu22 C22 31.6 . . ?
C21 Cu22 C146 97.2 . . ?
C21 Cu22 Cu10 171.0 . . ?
C21 Cu22 Cu15 49.7 . . ?
C21 Cu22 Cu16 102.0 . . ?
C21 Cu22 Cu32 42.0 . . ?
C21 Cu22 Cu37 109.6 . . ?
C22 Cu22 Cu10 156.7 . . ?
C22 Cu22 Cu15 53.6 . . ?
C22 Cu22 Cu16 131.9 . . ?
C22 Cu22 Cu32 73.5 . . ?
C22 Cu22 Cu37 96.9 . . ?
C146 Cu22 C22 123.9 . . ?
C146 Cu22 Cu10 73.9 . . ?
C146 Cu22 Cu15 121.4 . . ?
C146 Cu22 Cu16 45.5 . . ?
C146 Cu22 Cu32 62.1 . . ?
C146 Cu22 Cu37 131.7 . . ?
Cu15 Cu22 Cu10 133.7 . . ?
Cu15 Cu22 Cu32 63.1 . . ?
Cu16 Cu22 Cu10 70.9 . . ?
Cu16 Cu22 Cu15 90.0 . . ?
Cu16 Cu22 Cu32 61.2 . . ?
Cu16 Cu22 Cu37 88.9 . . ?
Cu32 Cu22 Cu10 129.6 . . ?
Cu37 Cu22 Cu10 76.3 . . ?
Cu37 Cu22 Cu15 61.2 . . ?
Cu37 Cu22 Cu32 115.5 . . ?
C66 Cu23 C121 103.8 . . ?
C66 Cu23 C122 130.0 . . ?
C66 Cu23 Cu19 46.2 . . ?
C66 Cu23 Cu21 134.9 . . ?
C66 Cu23 Cu39 130.9 . . ?
C66 Cu23 Cu47 71.6 . . ?
C81 Cu23 C66 119.5 . . ?
C81 Cu23 C121 136.0 . . ?
C81 Cu23 C122 104.9 . . ?
C81 Cu23 Cu19 116.7 . . ?
C81 Cu23 Cu21 49.3 . . ?
C81 Cu23 Cu39 101.5 . . ?
C81 Cu23 Cu47 163.7 . . ?
C121 Cu23 C122 32.8 . . ?
C121 Cu23 Cu19 98.3 . . ?
C121 Cu23 Cu21 104.7 . . ?
C121 Cu23 Cu39 48.1 . . ?
C121 Cu23 Cu47 38.4 . . ?
C122 Cu23 Cu19 129.8 . . ?
C122 Cu23 Cu21 91.0 . . ?
C122 Cu23 Cu39 50.5 . . ?
C122 Cu23 Cu47 71.2 . . ?
Cu19 Cu23 Cu21 95.4 . . ?
Cu19 Cu23 Cu39 92.9 . . ?
Cu19 Cu23 Cu47 60.9 . . ?
Cu21 Cu23 Cu39 57.6 . . ?
Cu21 Cu23 Cu47 114.5 . . ?
Cu39 Cu23 Cu47 63.5 . . ?
C26 Cu24 C27 32.7 . . ?
C26 Cu24 C31 176.1 . . ?
C26 Cu24 C32 145.3 . . ?
C26 Cu24 Cu3 95.6 . . ?
C26 Cu24 Cu4 45.0 . . ?
C26 Cu24 Cu10 42.4 . . ?
C27 Cu24 Cu3 126.3 . . ?
C27 Cu24 Cu4 73.3 . . ?
C27 Cu24 Cu10 69.5 . . ?
C31 Cu24 C27 144.3 . . ?
C31 Cu24 C32 33.7 . . ?
C31 Cu24 Cu3 86.4 . . ?
C31 Cu24 Cu4 138.9 . . ?
C31 Cu24 Cu10 137.9 . . ?
C32 Cu24 C27 115.5 . . ?
C32 Cu24 Cu3 118.1 . . ?
C32 Cu24 Cu4 137.5 . . ?
C32 Cu24 Cu10 169.9 . . ?
Cu3 Cu24 Cu4 70.0 . . ?
Cu3 Cu24 Cu10 57.1 . . ?
Cu4 Cu24 Cu10 51.4 . . ?
C41 Cu25 C141 114.7 . . ?
C41 Cu25 C142 126.6 . . ?
C41 Cu25 Cu8 129.2 . . ?
C41 Cu25 Cu17 46.9 . . ?
C41 Cu25 Cu29 74.7 . . ?
C41 Cu25 Cu43 135.2 . . ?
C46 Cu25 C41 112.9 . . ?
C46 Cu25 C141 132.2 . . ?
C46 Cu25 C142 111.1 . . ?
C46 Cu25 Cu8 47.4 . . ?
C46 Cu25 Cu17 113.3 . . ?
C46 Cu25 Cu29 48.3 . . ?
C46 Cu25 Cu43 100.5 . . ?
C141 Cu25 C142 29.6 . . ?
C141 Cu25 Cu8 102.0 . . ?
C141 Cu25 Cu17 102.4 . . ?
C141 Cu25 Cu29 154.5 . . ?
C141 Cu25 Cu43 45.1 . . ?
C142 Cu25 Cu8 102.7 . . ?
C142 Cu25 Cu17 131.4 . . ?
C142 Cu25 Cu29 157.9 . . ?
C142 Cu25 Cu43 59.8 . . ?
Cu8 Cu25 Cu43 58.3 . . ?
Cu17 Cu25 Cu8 93.2 . . ?
Cu17 Cu25 Cu29 65.7 . . ?
Cu17 Cu25 Cu43 93.2 . . ?
Cu29 Cu25 Cu8 58.4 . . ?
Cu29 Cu25 Cu43 110.9 . . ?
C91 Cu26 Cu9 124.8 . . ?
C91 Cu26 Cu14 45.7 . . ?
C91 Cu26 Cu31 76.7 . . ?
C91 Cu26 Cu36 82.8 . . ?
C91 Cu26 Cu42 127.2 . . ?
C96 Cu26 C91 109.4 . . ?
C96 Cu26 Cu9 47.3 . . ?
C96 Cu26 Cu14 106.7 . . ?
C96 Cu26 Cu31 42.7 . . ?
C96 Cu26 Cu36 153.5 . . ?
C96 Cu26 Cu42 104.1 . . ?
C101 Cu26 C91 119.2 . . ?
C101 Cu26 C96 131.3 . . ?
C101 Cu26 Cu9 102.1 . . ?
C101 Cu26 Cu14 109.3 . . ?
C101 Cu26 Cu31 152.6 . . ?
C101 Cu26 Cu36 45.3 . . ?
C101 Cu26 Cu42 48.1 . . ?
Cu9 Cu26 Cu31 52.8 . . ?
Cu9 Cu26 Cu36 106.2 . . ?
Cu9 Cu26 Cu42 59.3 . . ?
Cu14 Cu26 Cu9 88.6 . . ?
Cu14 Cu26 Cu31 64.2 . . ?
Cu14 Cu26 Cu36 64.4 . . ?
Cu14 Cu26 Cu42 86.3 . . ?
Cu36 Cu26 Cu31 124.3 . . ?
Cu42 Cu26 Cu31 104.6 . . ?
Cu42 Cu26 Cu36 52.2 . . ?
C56 Cu27 Cu2 127.2 . . ?
C56 Cu27 Cu7 95.5 . . ?
C56 Cu27 Cu17 141.6 . . ?
C56 Cu27 Cu43 55.7 . . ?
C56 Cu27 Cu44 83.4 . . ?
C56 Cu27 Cu46 59.9 . . ?
C56 Cu27 Cu98 60.8 . . ?
C56 Cu27 O4 169.2 . . ?
Cu2 Cu27 Cu7 63.7 . . ?
Cu2 Cu27 Cu17 60.2 . . ?
Cu2 Cu27 Cu46 68.1 . . ?
Cu2 Cu27 Cu98 129.6 . . ?
Cu7 Cu27 Cu17 116.7 . . ?
Cu43 Cu27 Cu2 90.2 . . ?
Cu43 Cu27 Cu7 117.8 . . ?
Cu43 Cu27 Cu17 89.3 . . ?
Cu43 Cu27 Cu44 110.8 . . ?
Cu43 Cu27 Cu46 58.4 . . ?
Cu43 Cu27 Cu98 50.8 . . ?
Cu44 Cu27 Cu2 149.4 . . ?
Cu44 Cu27 Cu7 119.4 . . ?
Cu44 Cu27 Cu17 96.9 . . ?
Cu44 Cu27 Cu46 141.8 . . ?
Cu44 Cu27 Cu98 61.1 . . ?
Cu46 Cu27 Cu7 59.6 . . ?
Cu46 Cu27 Cu17 118.1 . . ?
Cu46 Cu27 Cu98 104.2 . . ?
Cu98 Cu27 Cu7 156.3 . . ?
Cu98 Cu27 Cu17 85.6 . . ?
O4 Cu27 Cu2 42.2 . . ?
O4 Cu27 Cu7 81.3 . . ?
O4 Cu27 Cu17 37.0 . . ?
O4 Cu27 Cu43 116.7 . . ?
O4 Cu27 Cu44 107.2 . . ?
O4 Cu27 Cu46 110.0 . . ?
O4 Cu27 Cu98 122.0 . . ?
C31 Cu28 C91 164.7 . . ?
C31 Cu28 C92 131.8 . . ?
C31 Cu28 Cu3 90.3 . . ?
C31 Cu28 Cu5 93.5 . . ?
C31 Cu28 Cu14 152.5 . . ?
C91 Cu28 C92 33.4 . . ?
C91 Cu28 Cu3 101.8 . . ?
C91 Cu28 Cu5 100.1 . . ?
C91 Cu28 Cu14 42.0 . . ?
C92 Cu28 Cu3 132.1 . . ?
C92 Cu28 Cu5 122.5 . . ?
C92 Cu28 Cu14 75.4 . . ?
Cu3 Cu28 Cu14 63.3 . . ?
Cu5 Cu28 Cu3 64.5 . . ?
Cu5 Cu28 Cu14 69.2 . . ?
C36 Cu29 C37 34.1 . . ?
C36 Cu29 Cu2 89.2 . . ?
C36 Cu29 Cu8 140.3 . . ?
C36 Cu29 Cu17 92.0 . . ?
C36 Cu29 Cu25 143.2 . . ?
C37 Cu29 Cu2 118.0 . . ?
C37 Cu29 Cu8 144.5 . . ?
C37 Cu29 Cu17 120.4 . . ?
C37 Cu29 Cu25 148.9 . . ?
C46 Cu29 C36 161.0 . . ?
C46 Cu29 C37 127.1 . . ?
C46 Cu29 Cu2 106.0 . . ?
C46 Cu29 Cu8 50.0 . . ?
C46 Cu29 Cu17 105.0 . . ?
C46 Cu29 Cu25 50.8 . . ?
Cu2 Cu29 Cu17 62.0 . . ?
Cu8 Cu29 Cu2 57.1 . . ?
Cu8 Cu29 Cu17 89.7 . . ?
Cu8 Cu29 Cu25 63.1 . . ?
Cu25 Cu29 Cu2 88.0 . . ?
Cu25 Cu29 Cu17 54.8 . . ?
C81 Cu30 C82 33.5 . . ?
C81 Cu30 C86 172.0 . . ?
C81 Cu30 C87 154.4 . . ?
C81 Cu30 Cu12 129.5 . . ?
C81 Cu30 Cu21 47.6 . . ?
C82 Cu30 C87 121.2 . . ?
C82 Cu30 Cu12 162.6 . . ?
C82 Cu30 Cu21 77.0 . . ?
C86 Cu30 C82 153.9 . . ?
C86 Cu30 C87 33.6 . . ?
C86 Cu30 Cu12 42.8 . . ?
C86 Cu30 Cu21 127.4 . . ?
C87 Cu30 Cu12 76.0 . . ?
C87 Cu30 Cu21 145.9 . . ?
Cu21 Cu30 Cu12 89.5 . . ?
C41 Cu31 C42 34.3 . . ?
C41 Cu31 C131 110.1 . . ?
C41 Cu31 Cu6 102.6 . . ?
C41 Cu31 Cu9 160.7 . . ?
C41 Cu31 Cu14 91.8 . . ?
C41 Cu31 Cu17 42.5 . . ?
C41 Cu31 Cu26 131.1 . . ?
C42 Cu31 C131 133.2 . . ?
C42 Cu31 Cu6 136.8 . . ?
C42 Cu31 Cu9 162.8 . . ?
C42 Cu31 Cu14 106.3 . . ?
C42 Cu31 Cu17 75.5 . . ?
C42 Cu31 Cu26 117.2 . . ?
C96 Cu31 C41 146.8 . . ?
C96 Cu31 C42 112.8 . . ?
C96 Cu31 C131 98.6 . . ?
C96 Cu31 Cu6 109.8 . . ?
C96 Cu31 Cu9 52.3 . . ?
C96 Cu31 Cu14 98.2 . . ?
C96 Cu31 Cu17 160.2 . . ?
C96 Cu31 Cu26 46.0 . . ?
C131 Cu31 Cu6 42.7 . . ?
C131 Cu31 Cu9 52.1 . . ?
C131 Cu31 Cu14 102.4 . . ?
C131 Cu31 Cu17 86.7 . . ?
C131 Cu31 Cu26 109.6 . . ?
Cu6 Cu31 Cu14 60.3 . . ?
Cu6 Cu31 Cu17 61.9 . . ?
Cu6 Cu31 Cu26 87.9 . . ?
Cu9 Cu31 Cu6 59.7 . . ?
Cu9 Cu31 Cu14 85.9 . . ?
Cu9 Cu31 Cu17 121.5 . . ?
Cu9 Cu31 Cu26 60.6 . . ?
Cu17 Cu31 Cu14 62.0 . . ?
Cu17 Cu31 Cu26 114.2 . . ?
Cu26 Cu31 Cu14 52.4 . . ?
C21 Cu32 C66 157.6 . . ?
C21 Cu32 C67 123.5 . . ?
C21 Cu32 Cu15 46.8 . . ?
C21 Cu32 Cu16 102.5 . . ?
C21 Cu32 Cu18 97.2 . . ?
C21 Cu32 Cu19 158.1 . . ?
C21 Cu32 Cu22 49.0 . . ?
C66 Cu32 C67 34.1 . . ?
C66 Cu32 Cu15 139.6 . . ?
C66 Cu32 Cu16 99.8 . . ?
C66 Cu32 Cu18 96.2 . . ?
C66 Cu32 Cu19 42.0 . . ?
C66 Cu32 Cu22 151.6 . . ?
C67 Cu32 Cu15 133.1 . . ?
C67 Cu32 Cu16 133.3 . . ?
C67 Cu32 Cu18 116.7 . . ?
C67 Cu32 Cu19 75.3 . . ?
C67 Cu32 Cu22 161.8 . . ?
Cu15 Cu32 Cu18 51.0 . . ?
Cu16 Cu32 Cu15 83.2 . . ?
Cu16 Cu32 Cu18 58.6 . . ?
Cu16 Cu32 Cu19 61.9 . . ?
Cu16 Cu32 Cu22 54.8 . . ?
Cu19 Cu32 Cu15 112.9 . . ?
Cu19 Cu32 Cu18 61.9 . . ?
Cu19 Cu32 Cu22 116.5 . . ?
Cu22 Cu32 Cu15 57.5 . . ?
Cu22 Cu32 Cu18 81.5 . . ?
C6 Cu33 Cu1 176.5 . . ?
C6 Cu33 Cu20 109.4 . . ?
C6 Cu33 Cu35 62.0 . . ?
C6 Cu33 Cu36 61.1 . . ?
C6 Cu33 Cu37 51.9 . . ?
C6 Cu33 Cu42 50.0 . . ?
C6 Cu33 O2 140.7 . . ?
C6 Cu33 O3 138.0 . . ?
Cu1 Cu33 Cu20 67.3 . . ?
Cu1 Cu33 Cu42 128.3 . . ?
Cu35 Cu33 Cu1 116.1 . . ?
Cu35 Cu33 Cu20 60.5 . . ?
Cu35 Cu33 Cu37 52.8 . . ?
Cu35 Cu33 Cu42 91.9 . . ?
Cu36 Cu33 Cu1 120.8 . . ?
Cu36 Cu33 Cu20 145.3 . . ?
Cu36 Cu33 Cu35 123.0 . . ?
Cu36 Cu33 Cu37 89.6 . . ?
Cu36 Cu33 Cu42 51.5 . . ?
Cu37 Cu33 Cu1 129.8 . . ?
Cu37 Cu33 Cu20 110.9 . . ?
Cu37 Cu33 Cu42 101.9 . . ?
Cu42 Cu33 Cu20 95.7 . . ?
O2 Cu33 Cu1 40.6 . . ?
O2 Cu33 Cu20 75.4 . . ?
O2 Cu33 Cu35 91.0 . . ?
O2 Cu33 Cu36 134.6 . . ?
O2 Cu33 Cu37 89.3 . . ?
O2 Cu33 Cu42 167.7 . . ?
O3 Cu33 Cu1 40.7 . . ?
O3 Cu33 Cu20 72.4 . . ?
O3 Cu33 Cu35 132.6 . . ?
O3 Cu33 Cu36 92.9 . . ?
O3 Cu33 Cu37 169.0 . . ?
O3 Cu33 Cu42 88.0 . . ?
O3 Cu33 O2 81.3 . . ?
C61 Cu34 C71 175.0 . . ?
C61 Cu34 C72 142.3 . . ?
C61 Cu34 Cu18 141.9 . . ?
C61 Cu34 Cu20 83.7 . . ?
C61 Cu34 Cu45 86.2 . . ?
C71 Cu34 C72 32.6 . . ?
C71 Cu34 Cu18 43.0 . . ?
C71 Cu34 Cu20 101.3 . . ?
C71 Cu34 Cu45 96.8 . . ?
C72 Cu34 Cu18 75.5 . . ?
C72 Cu34 Cu20 132.4 . . ?
C72 Cu34 Cu45 116.8 . . ?
Cu18 Cu34 Cu20 61.3 . . ?
Cu18 Cu34 Cu45 66.0 . . ?
Cu45 Cu34 Cu20 64.1 . . ?
C1 Cu35 C2 34.1 . . ?
C1 Cu35 C6 102.6 . . ?
C1 Cu35 Cu15 136.2 . . ?
C1 Cu35 Cu18 95.5 . . ?
C1 Cu35 Cu20 39.5 . . ?
C1 Cu35 Cu33 91.3 . . ?
C1 Cu35 Cu37 154.9 . . ?
C2 Cu35 C6 114.6 . . ?
C2 Cu35 Cu15 129.8 . . ?
C2 Cu35 Cu18 119.6 . . ?
C2 Cu35 Cu20 72.4 . . ?
C2 Cu35 Cu33 121.8 . . ?
C2 Cu35 Cu37 155.6 . . ?
C6 Cu35 Cu15 114.6 . . ?
C6 Cu35 Cu18 104.8 . . ?
C6 Cu35 Cu20 95.6 . . ?
C6 Cu35 Cu33 40.8 . . ?
C6 Cu35 Cu37 53.6 . . ?
C11 Cu35 C1 149.3 . . ?
C11 Cu35 C2 115.9 . . ?
C11 Cu35 C6 98.1 . . ?
C11 Cu35 Cu15 47.4 . . ?
C11 Cu35 Cu18 100.9 . . ?
C11 Cu35 Cu20 158.6 . . ?
C11 Cu35 Cu33 119.0 . . ?
C11 Cu35 Cu37 53.5 . . ?
Cu15 Cu35 Cu18 54.2 . . ?
Cu15 Cu35 Cu20 111.6 . . ?
Cu15 Cu35 Cu33 101.7 . . ?
Cu18 Cu35 Cu20 59.5 . . ?
Cu33 Cu35 Cu18 67.0 . . ?
Cu33 Cu35 Cu20 63.9 . . ?
Cu37 Cu35 Cu15 62.7 . . ?
Cu37 Cu35 Cu18 84.9 . . ?
Cu37 Cu35 Cu20 126.2 . . ?
Cu37 Cu35 Cu33 65.6 . . ?
C6 Cu36 Cu14 106.9 . . ?
C6 Cu36 Cu26 117.6 . . ?
C6 Cu36 Cu33 42.9 . . ?
C6 Cu36 Cu42 55.9 . . ?
C101 Cu36 C6 101.9 . . ?
C101 Cu36 C157 144.4 . . ?
C101 Cu36 C158 112.6 . . ?
C101 Cu36 Cu14 99.9 . . ?
C101 Cu36 Cu26 46.7 . . ?
C101 Cu36 Cu33 125.0 . . ?
C101 Cu36 Cu42 54.5 . . ?
C157 Cu36 C6 109.3 . . ?
C157 Cu36 C158 34.7 . . ?
C157 Cu36 Cu14 87.1 . . ?
C157 Cu36 Cu26 124.9 . . ?
C157 Cu36 Cu33 90.1 . . ?
C157 Cu36 Cu42 161.0 . . ?
C158 Cu36 C6 122.3 . . ?
C158 Cu36 Cu14 110.6 . . ?
C158 Cu36 Cu26 119.8 . . ?
C158 Cu36 Cu33 122.1 . . ?
C158 Cu36 Cu42 161.1 . . ?
Cu26 Cu36 Cu14 53.6 . . ?
Cu33 Cu36 Cu14 67.8 . . ?
Cu33 Cu36 Cu26 104.9 . . ?
Cu42 Cu36 Cu14 86.5 . . ?
Cu42 Cu36 Cu26 63.5 . . ?
Cu42 Cu36 Cu33 70.9 . . ?
C6 Cu37 Cu15 123.4 . . ?
C6 Cu37 Cu22 143.6 . . ?
C6 Cu37 Cu33 40.3 . . ?
C6 Cu37 Cu35 63.2 . . ?
C11 Cu37 C6 104.1 . . ?
C11 Cu37 Cu15 46.9 . . ?
C11 Cu37 Cu22 102.5 . . ?
C11 Cu37 Cu33 112.3 . . ?
C11 Cu37 Cu35 50.8 . . ?
C16 Cu37 C6 121.3 . . ?
C16 Cu37 C11 130.9 . . ?
C16 Cu37 Cu15 110.2 . . ?
C16 Cu37 Cu22 50.0 . . ?
C16 Cu37 Cu33 114.3 . . ?
C16 Cu37 Cu35 168.8 . . ?
Cu15 Cu37 Cu33 98.9 . . ?
Cu22 Cu37 Cu15 62.8 . . ?
Cu22 Cu37 Cu33 105.9 . . ?
Cu35 Cu37 Cu15 62.1 . . ?
Cu35 Cu37 Cu22 119.7 . . ?
Cu35 Cu37 Cu33 61.6 . . ?
C111 Cu38 C112 33.3 . . ?
C111 Cu38 C162 105.3 . . ?
C111 Cu38 Cu2 42.3 . . ?
C111 Cu38 Cu7 96.2 . . ?
C111 Cu38 Cu13 101.1 . . ?
C111 Cu38 Cu21 155.1 . . ?
C111 Cu38 Cu39 138.8 . . ?
C112 Cu38 C162 114.3 . . ?
C112 Cu38 Cu2 75.5 . . ?
C112 Cu38 Cu7 123.0 . . ?
C112 Cu38 Cu13 130.6 . . ?
C112 Cu38 Cu21 150.9 . . ?
C112 Cu38 Cu39 137.8 . . ?
C126 Cu38 C111 148.4 . . ?
C126 Cu38 C112 116.5 . . ?
C126 Cu38 C162 96.9 . . ?
C126 Cu38 Cu2 163.1 . . ?
C126 Cu38 Cu7 101.6 . . ?
C126 Cu38 Cu13 110.5 . . ?
C126 Cu38 Cu21 53.2 . . ?
C126 Cu38 Cu39 48.2 . . ?
C162 Cu38 Cu2 87.7 . . ?
C162 Cu38 Cu7 100.3 . . ?
C162 Cu38 Cu13 43.5 . . ?
C162 Cu38 Cu21 50.1 . . ?
C162 Cu38 Cu39 107.1 . . ?
Cu2 Cu38 Cu7 61.6 . . ?
Cu13 Cu38 Cu2 62.6 . . ?
Cu13 Cu38 Cu7 57.4 . . ?
Cu13 Cu38 Cu39 85.9 . . ?
Cu21 Cu38 Cu2 122.0 . . ?
Cu21 Cu38 Cu7 85.9 . . ?
Cu21 Cu38 Cu13 59.4 . . ?
Cu21 Cu38 Cu39 60.2 . . ?
Cu39 Cu38 Cu2 115.0 . . ?
Cu39 Cu38 Cu7 53.6 . . ?
C116 Cu39 C122 134.5 . . ?
C116 Cu39 Cu7 45.0 . . ?
C116 Cu39 Cu21 130.3 . . ?
C116 Cu39 Cu23 130.1 . . ?
C116 Cu39 Cu38 79.2 . . ?
C121 Cu39 C116 107.0 . . ?
C121 Cu39 C122 33.0 . . ?
C121 Cu39 Cu7 96.6 . . ?
C121 Cu39 Cu21 103.4 . . ?
C121 Cu39 Cu23 48.3 . . ?
C121 Cu39 Cu38 153.7 . . ?
C122 Cu39 Cu7 128.2 . . ?
C122 Cu39 Cu21 90.2 . . ?
C122 Cu39 Cu23 51.1 . . ?
C122 Cu39 Cu38 146.1 . . ?
C126 Cu39 C116 116.1 . . ?
C126 Cu39 C121 136.5 . . ?
C126 Cu39 C122 105.0 . . ?
C126 Cu39 Cu7 117.5 . . ?
C126 Cu39 Cu21 51.8 . . ?
C126 Cu39 Cu23 102.5 . . ?
C126 Cu39 Cu38 48.5 . . ?
Cu7 Cu39 Cu21 93.5 . . ?
Cu7 Cu39 Cu23 90.0 . . ?
Cu7 Cu39 Cu38 69.2 . . ?
Cu21 Cu39 Cu23 56.0 . . ?
Cu21 Cu39 Cu38 57.5 . . ?
Cu38 Cu39 Cu23 107.8 . . ?
C131 Cu40 C132 29.9 . . ?
C131 Cu40 C153 110.8 . . ?
C131 Cu40 Cu6 39.1 . . ?
C131 Cu40 Cu11 88.7 . . ?
C131 Cu40 Cu41 143.6 . . ?
C131 Cu40 Cu44 95.5 . . ?
C131 Cu40 Cu48 52.8 . . ?
C132 Cu40 Cu6 69.0 . . ?
C132 Cu40 Cu11 105.6 . . ?
C132 Cu40 Cu41 169.7 . . ?
C132 Cu40 Cu48 55.3 . . ?
C136 Cu40 C131 104.6 . . ?
C136 Cu40 C132 99.4 . . ?
C136 Cu40 C152 119.3 . . ?
C136 Cu40 C153 140.8 . . ?
C136 Cu40 Cu6 102.4 . . ?
C136 Cu40 Cu11 148.6 . . ?
C136 Cu40 Cu41 90.3 . . ?
C136 Cu40 Cu44 49.1 . . ?
C136 Cu40 Cu48 51.8 . . ?
C152 Cu40 C131 135.9 . . ?
C152 Cu40 C132 134.1 . . ?
C152 Cu40 C153 31.4 . . ?
C152 Cu40 Cu6 120.0 . . ?
C152 Cu40 Cu11 51.5 . . ?
C152 Cu40 Cu41 40.0 . . ?
C152 Cu40 Cu44 109.3 . . ?
C152 Cu40 Cu48 170.3 . . ?
C153 Cu40 C132 102.7 . . ?
C153 Cu40 Cu6 115.7 . . ?
C153 Cu40 Cu11 50.3 . . ?
C153 Cu40 Cu41 71.1 . . ?
C153 Cu40 Cu44 139.2 . . ?
C153 Cu40 Cu48 157.7 . . ?
Cu6 Cu40 Cu41 105.8 . . ?
Cu11 Cu40 Cu6 70.2 . . ?
Cu11 Cu40 Cu41 64.1 . . ?
Cu44 Cu40 C132 114.8 . . ?
Cu44 Cu40 Cu6 67.2 . . ?
Cu44 Cu40 Cu11 102.1 . . ?
Cu44 Cu40 Cu41 69.4 . . ?
Cu44 Cu40 Cu48 62.6 . . ?
Cu48 Cu40 Cu6 63.0 . . ?
Cu48 Cu40 Cu11 133.1 . . ?
Cu48 Cu40 Cu41 131.2 . . ?
C61 Cu41 C62 34.1 . . ?
C61 Cu41 Cu11 133.1 . . ?
C61 Cu41 Cu20 83.7 . . ?
C61 Cu41 Cu40 140.6 . . ?
C61 Cu41 Cu90 138.3 . . ?
C62 Cu41 Cu11 166.1 . . ?
C62 Cu41 Cu20 111.5 . . ?
C62 Cu41 Cu40 129.3 . . ?
C62 Cu41 Cu90 107.5 . . ?
C152 Cu41 C61 174.1 . . ?
C152 Cu41 C62 148.0 . . ?
C152 Cu41 Cu11 45.5 . . ?
C152 Cu41 Cu20 97.3 . . ?
C152 Cu41 Cu40 44.9 . . ?
C152 Cu41 Cu90 46.7 . . ?
Cu20 Cu41 Cu11 54.9 . . ?
Cu20 Cu41 Cu40 74.6 . . ?
Cu20 Cu41 Cu90 110.3 . . ?
Cu40 Cu41 Cu11 54.0 . . ?
Cu90 Cu41 Cu11 82.0 . . ?
C6 Cu42 Cu9 141.0 . . ?
C6 Cu42 Cu26 122.6 . . ?
C6 Cu42 Cu33 38.8 . . ?
C6 Cu42 Cu36 60.5 . . ?
C101 Cu42 C6 103.1 . . ?
C101 Cu42 C107 104.6 . . ?
C101 Cu42 Cu9 101.1 . . ?
C101 Cu42 Cu26 46.9 . . ?
C101 Cu42 Cu33 108.5 . . ?
C101 Cu42 Cu36 51.3 . . ?
C106 Cu42 C6 119.2 . . ?
C106 Cu42 C101 136.9 . . ?
C106 Cu42 C107 33.4 . . ?
C106 Cu42 Cu9 49.7 . . ?
C106 Cu42 Cu26 108.1 . . ?
C106 Cu42 Cu33 109.3 . . ?
C106 Cu42 Cu36 161.3 . . ?
C107 Cu42 C6 145.9 . . ?
C107 Cu42 Cu9 49.6 . . ?
C107 Cu42 Cu26 91.0 . . ?
C107 Cu42 Cu33 141.6 . . ?
C107 Cu42 Cu36 153.2 . . ?
Cu9 Cu42 Cu26 59.5 . . ?
Cu9 Cu42 Cu33 104.2 . . ?
Cu26 Cu42 Cu33 97.4 . . ?
Cu36 Cu42 Cu9 117.1 . . ?
Cu36 Cu42 Cu26 64.2 . . ?
Cu36 Cu42 Cu33 57.5 . . ?
C51 Cu43 C52 24.9 . . ?
C51 Cu43 C56 103.2 . . ?
C51 Cu43 Cu8 48.7 . . ?
C51 Cu43 Cu25 104.6 . . ?
C51 Cu43 Cu27 108.0 . . ?
C51 Cu43 Cu46 47.4 . . ?
C51 Cu43 Cu98 169.1 . . ?
C52 Cu43 Cu8 54.8 . . ?
C52 Cu43 Cu25 96.4 . . ?
C52 Cu43 Cu27 132.1 . . ?
C52 Cu43 Cu46 72.1 . . ?
C56 Cu43 C52 123.2 . . ?
C56 Cu43 Cu8 120.8 . . ?
C56 Cu43 Cu25 131.9 . . ?
C56 Cu43 Cu27 45.2 . . ?
C56 Cu43 Cu46 60.2 . . ?
C56 Cu43 Cu98 67.0 . . ?
C141 Cu43 C51 140.3 . . ?
C141 Cu43 C52 118.0 . . ?
C141 Cu43 C56 116.5 . . ?
C141 Cu43 Cu8 106.5 . . ?
C141 Cu43 Cu25 49.0 . . ?
C141 Cu43 Cu27 101.1 . . ?
C141 Cu43 Cu46 162.4 . . ?
C141 Cu43 Cu98 49.6 . . ?
Cu8 Cu43 Cu25 59.1 . . ?
Cu27 Cu43 Cu8 89.6 . . ?
Cu27 Cu43 Cu25 88.8 . . ?
Cu27 Cu43 Cu46 63.8 . . ?
Cu46 Cu43 Cu8 66.4 . . ?
Cu46 Cu43 Cu25 118.5 . . ?
Cu98 Cu43 C52 158.9 . . ?
Cu98 Cu43 Cu8 139.7 . . ?
Cu98 Cu43 Cu25 85.9 . . ?
Cu98 Cu43 Cu27 68.8 . . ?
Cu98 Cu43 Cu46 125.0 . . ?
C136 Cu44 Cu6 106.1 . . ?
C136 Cu44 Cu20 137.6 . . ?
C136 Cu44 Cu27 109.1 . . ?
C136 Cu44 Cu40 56.2 . . ?
C136 Cu44 Cu45 148.2 . . ?
C136 Cu44 Cu48 53.6 . . ?
C136 Cu44 Cu98 48.7 . . ?
Cu6 Cu44 Cu45 105.5 . . ?
Cu20 Cu44 Cu6 63.5 . . ?
Cu20 Cu44 Cu45 62.2 . . ?
Cu20 Cu44 Cu98 155.6 . . ?
Cu27 Cu44 Cu6 83.0 . . ?
Cu27 Cu44 Cu20 109.9 . . ?
Cu27 Cu44 Cu45 72.1 . . ?
Cu27 Cu44 Cu98 61.0 . . ?
Cu40 Cu44 Cu6 65.5 . . ?
Cu40 Cu44 Cu20 84.1 . . ?
Cu40 Cu44 Cu27 135.5 . . ?
Cu40 Cu44 Cu45 144.2 . . ?
Cu40 Cu44 Cu48 64.6 . . ?
Cu48 Cu44 Cu6 63.0 . . ?
Cu48 Cu44 Cu20 125.4 . . ?
Cu48 Cu44 Cu27 73.6 . . ?
Cu48 Cu44 Cu45 144.9 . . ?
Cu98 Cu44 Cu6 92.3 . . ?
Cu98 Cu44 Cu45 127.1 . . ?
O5 Cu44 C136 176.2 . . ?
O5 Cu44 Cu6 70.3 . . ?
O5 Cu44 Cu20 42.2 . . ?
O5 Cu44 Cu27 69.7 . . ?
O5 Cu44 Cu40 121.9 . . ?
O5 Cu44 Cu45 35.3 . . ?
O5 Cu44 Cu48 122.8 . . ?
O5 Cu44 Cu98 129.4 . . ?
C76 Cu45 Cu18 104.0 . . ?
C76 Cu45 Cu20 143.1 . . ?
C76 Cu45 Cu34 84.7 . . ?
C76 Cu45 Cu44 141.9 . . ?
C76 Cu45 O5 176.9 . . ?
Cu20 Cu45 Cu18 56.6 . . ?
Cu20 Cu45 Cu44 54.9 . . ?
Cu34 Cu45 Cu18 56.5 . . ?
Cu34 Cu45 Cu20 58.4 . . ?
Cu34 Cu45 Cu44 98.7 . . ?
Cu44 Cu45 Cu18 109.4 . . ?
O5 Cu45 Cu18 78.2 . . ?
O5 Cu45 Cu20 36.7 . . ?
O5 Cu45 Cu34 94.9 . . ?
O5 Cu45 Cu44 35.2 . . ?
C51 Cu46 C56 98.0 . . ?
C51 Cu46 C116 153.6 . . ?
C51 Cu46 C117 122.1 . . ?
C51 Cu46 Cu7 155.7 . . ?
C51 Cu46 Cu8 44.8 . . ?
C51 Cu46 Cu27 105.5 . . ?
C51 Cu46 Cu43 51.0 . . ?
C56 Cu46 Cu7 85.9 . . ?
C56 Cu46 Cu8 105.8 . . ?
C56 Cu46 Cu27 41.8 . . ?
C56 Cu46 Cu43 51.2 . . ?
C116 Cu46 C56 105.0 . . ?
C116 Cu46 C117 33.9 . . ?
C116 Cu46 Cu7 41.6 . . ?
C116 Cu46 Cu8 135.8 . . ?
C116 Cu46 Cu27 100.3 . . ?
C116 Cu46 Cu43 155.0 . . ?
C117 Cu46 C56 118.0 . . ?
C117 Cu46 Cu7 75.4 . . ?
C117 Cu46 Cu8 136.2 . . ?
C117 Cu46 Cu27 131.8 . . ?
C117 Cu46 Cu43 156.4 . . ?
Cu7 Cu46 Cu8 111.0 . . ?
Cu27 Cu46 Cu7 62.1 . . ?
Cu27 Cu46 Cu8 82.8 . . ?
Cu43 Cu46 Cu7 119.8 . . ?
Cu43 Cu46 Cu8 58.9 . . ?
Cu43 Cu46 Cu27 57.8 . . ?
C76 Cu47 C77 34.7 . . ?
C76 Cu47 Cu7 93.0 . . ?
C76 Cu47 Cu19 89.0 . . ?
C76 Cu47 Cu23 137.4 . . ?
C77 Cu47 Cu7 124.4 . . ?
C77 Cu47 Cu19 115.1 . . ?
C77 Cu47 Cu23 144.9 . . ?
C121 Cu47 C76 174.6 . . ?
C121 Cu47 C77 140.1 . . ?
C121 Cu47 Cu7 92.3 . . ?
C121 Cu47 Cu19 94.1 . . ?
C121 Cu47 Cu23 44.6 . . ?
Cu7 Cu47 Cu23 80.7 . . ?
Cu19 Cu47 Cu7 62.6 . . ?
Cu19 Cu47 Cu23 50.6 . . ?
C131 Cu48 C132 30.6 . . ?
C131 Cu48 C141 140.9 . . ?
C131 Cu48 Cu6 39.0 . . ?
C131 Cu48 Cu40 52.5 . . ?
C131 Cu48 Cu44 88.1 . . ?
C132 Cu48 Cu6 69.5 . . ?
C132 Cu48 Cu40 57.4 . . ?
C132 Cu48 Cu44 107.6 . . ?
C136 Cu48 C131 100.9 . . ?
C136 Cu48 C132 98.4 . . ?
C136 Cu48 C141 116.9 . . ?
C136 Cu48 Cu6 99.5 . . ?
C136 Cu48 Cu40 48.5 . . ?
C136 Cu48 Cu44 44.2 . . ?
C141 Cu48 C132 126.6 . . ?
C141 Cu48 Cu6 134.0 . . ?
C141 Cu48 Cu40 163.0 . . ?
C141 Cu48 Cu44 125.7 . . ?
Cu40 Cu48 Cu6 62.6 . . ?
Cu44 Cu48 Cu6 64.0 . . ?
Cu44 Cu48 Cu40 52.9 . . ?
C136 Cu90 C137 32.2 . . ?
C136 Cu90 C153 124.2 . . ?
C136 Cu90 Cu41 93.4 . . ?
C137 Cu90 C153 142.3 . . ?
C137 Cu90 Cu41 121.8 . . ?
C152 Cu90 C136 118.2 . . ?
C152 Cu90 C137 149.4 . . ?
C152 Cu90 C153 28.7 . . ?
C152 Cu90 Cu41 43.4 . . ?
C153 Cu90 Cu41 71.9 . . ?
C56 Cu98 Cu27 41.2 . . ?
C56 Cu98 Cu44 71.8 . . ?
C136 Cu98 C56 98.5 . . ?
C136 Cu98 C137 30.2 . . ?
C136 Cu98 Cu27 99.5 . . ?
C136 Cu98 Cu43 152.6 . . ?
C136 Cu98 Cu44 42.2 . . ?
C137 Cu98 C56 113.1 . . ?
C137 Cu98 Cu27 128.3 . . ?
C137 Cu98 Cu44 72.2 . . ?
C141 Cu98 C56 111.3 . . ?
C141 Cu98 C136 149.9 . . ?
C141 Cu98 C137 130.3 . . ?
C141 Cu98 Cu27 99.9 . . ?
C141 Cu98 Cu43 57.3 . . ?
C141 Cu98 Cu44 144.4 . . ?
Cu27 Cu98 Cu44 57.8 . . ?
Cu43 Cu98 C56 54.1 . . ?
Cu43 Cu98 C137 153.6 . . ?
Cu43 Cu98 Cu27 60.4 . . ?
Cu43 Cu98 Cu44 117.0 . . ?
Cu7 O1 Cu1 125.2 . . ?
Cu7 O1 Cu13 93.1 . . ?
Cu13 O1 Cu1 102.3 . . ?
Cu19 O1 Cu1 121.1 . . ?
Cu19 O1 Cu7 107.4 . . ?
Cu19 O1 Cu13 99.0 . . ?
Cu1 O2 Cu33 97.3 . . ?
Cu16 O2 Cu1 118.0 . . ?
Cu16 O2 Cu33 119.1 . . ?
Cu18 O2 Cu1 116.8 . . ?
Cu18 O2 Cu16 98.5 . . ?
Cu18 O2 Cu33 107.7 . . ?
Cu1 O3 Cu33 97.2 . . ?
Cu6 O3 Cu1 113.2 . . ?
Cu6 O3 Cu33 123.3 . . ?
Cu14 O3 Cu1 118.7 . . ?
Cu14 O3 Cu6 98.7 . . ?
Cu14 O3 Cu33 107.1 . . ?
Cu2 O4 Cu1 123.4 . . ?
Cu2 O4 Cu27 94.3 . . ?
Cu17 O4 Cu1 120.8 . . ?
Cu17 O4 Cu2 101.8 . . ?
Cu17 O4 Cu27 104.6 . . ?
Cu27 O4 Cu1 107.6 . . ?
Cu20 O5 Cu1 103.9 . . ?
Cu44 O5 Cu1 134.5 . . ?
Cu44 O5 Cu20 96.5 . . ?
Cu44 O5 Cu45 109.6 . . ?
Cu45 O5 Cu1 102.6 . . ?
Cu45 O5 Cu20 107.3 . . ?
Cu3 O6 Cu12 98.4 . . ?
Cu3 O6 Cu13 156.6 . . ?
Cu5 O6 Cu3 104.0 . . ?
Cu5 O6 Cu12 107.5 . . ?
Cu5 O6 Cu13 98.8 . . ?
Cu12 O6 Cu13 79.3 . . ?
C119 C118 C117 107.5 . . ?
C120 C118 C117 111.3 . . ?
C120 C118 C119 121.3 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
