#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:15:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178943 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/72/4117231.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4117231
loop_
_publ_author_name
'Stephen P. Argent'
'Alex Greenaway'
'Maria del Carmen Gimenez-Lopez'
'William Lewis'
'Harriott Nowell'
'Andrei N. Khlobystov'
'Alexander J. Blake'
'Neil R. Champness'
'Martin Schröder'
_publ_section_title
;
 High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              55
_journal_page_last               58
_journal_paper_doi               10.1021/ja207845u
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C954 H624 Cd66 N20 O220, 96(C3 H7 N O)'
_chemical_formula_sum            'C1242 H1296 Cd66 N116 O316'
_chemical_formula_weight         30322.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           48
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2bc'
_symmetry_space_group_name_H-M   'P n n n :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   35.4763(2)
_cell_length_b                   43.6363(3)
_cell_length_c                   48.9095(3)
_cell_measurement_reflns_used    44383
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      24.8426
_cell_measurement_theta_min      1.4901
_cell_volume                     75714.6(8)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
  1 omega  -61.00  116.00   0.5000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       30.0000    0.0000  120.0000 354

;
_diffrn_measurement_device_type  'Rigaku Saturn 724+'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  'silicon double crystal'
_diffrn_radiation_source         'Diamond Light Source Beamline I19'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_number            202795
_diffrn_reflns_theta_full        24.21
_diffrn_reflns_theta_max         24.21
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56698
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_description       column
_exptl_crystal_F_000             30512
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_platon_squeeze_details
;
;
_refine_diff_density_max         1.843
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2682
_refine_ls_number_reflns         66838
_refine_ls_number_restraints     5469
_refine_ls_restrained_S_all      1.339
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0694P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1405
_refine_ls_wR_factor_ref         0.1497
_reflns_number_gt                44626
_reflns_number_total             66838
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja207845u_si_001_2.cif
_cod_data_source_block           spa76
_cod_original_cell_volume        75714.5(9)
_cod_original_sg_symbol_H-M      'P n n n'
_cod_database_code               4117231
#BEGIN Tags that were not found in dictionaries:
_nottingham_internal_coll_name   SPA76
_nottingham_internal_coll_number 9751
_nottingham_internal_coll_client SPA/MS/NRC
_nottingham_internal_coll_type   Diamond
_nottingham_internal_coll_frame_time 1s
_nottingham_internal_coll_frame_width 0.5
_nottingham_internal_coll_frame_method '\w scans'
_nottingham_internal_coll_user   AG/AJB
_nottingham_internal_coll_date   25/10/2011
_nottingham_internal_process_date 25/10/2011
_nottingham_internal_solution_user SPA
_nottingham_internal_solution_date 26/10/2011
_nottingham_internal_refinement_user SPA
_nottingham_internal_refinement_date 25/05/2011
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'x, -y+1/2, -z+1/2'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'-x, y-1/2, z-1/2'
'x-1/2, -y, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.50283(2) 0.7500 0.2500 0.05887(18) Uani 1 2 d SU . .
Cd2 Cd 0.7500 0.950766(17) 0.2500 0.05612(18) Uani 1 2 d SU . .
Cd3 Cd 0.7500 0.7500 0.425136(15) 0.05929(19) Uani 1 2 d SU . .
Cd4 Cd 0.545683(14) 0.752483(12) 0.324917(11) 0.05568(13) Uani 1 1 d U . .
Cd5 Cd 0.533041(14) 0.822588(12) 0.208453(10) 0.05430(13) Uani 1 1 d U . .
Cd6 Cd 0.644747(14) 0.917018(12) 0.249985(10) 0.05395(13) Uani 1 1 d U B .
Cd7 Cd 0.807872(13) 0.925275(12) 0.315141(10) 0.05156(12) Uani 1 1 d U . .
Cd8 Cd 0.748779(14) 0.835356(12) 0.397775(10) 0.05553(13) Uani 1 1 d U . .
Cd9 Cd 0.661024(14) 0.707211(12) 0.405084(11) 0.05727(13) Uani 1 1 d U . .
Cd10 Cd 0.574564(13) 0.830458(11) 0.328929(10) 0.05088(12) Uani 1 1 d U . .
Cd11 Cd 0.565830(13) 0.869234(11) 0.261698(10) 0.05091(12) Uani 1 1 d U B .
Cd12 Cd 0.640277(13) 0.894021(11) 0.318693(10) 0.05042(12) Uani 1 1 d U . .
Cd13 Cd 0.733913(13) 0.898633(11) 0.353915(9) 0.04805(12) Uani 1 1 d U . .
Cd14 Cd 0.653605(13) 0.841898(11) 0.375972(9) 0.04926(12) Uani 1 1 d U . .
Cd15 Cd 0.603748(13) 0.767564(11) 0.382509(10) 0.05075(12) Uani 1 1 d U . .
Cd16 Cd 0.587991(13) 0.684244(11) 0.358438(9) 0.04802(12) Uani 1 1 d U . .
Cd17 Cd 0.600436(13) 0.879851(11) 0.188248(10) 0.05019(12) Uani 1 1 d U . .
Cd18 Cd 0.834719(13) 0.869367(11) 0.367446(9) 0.04887(12) Uani 1 1 d U . .
O21 O 0.86823(12) 0.84381(9) 0.33564(9) 0.0520(10) Uani 1 1 d U . .
O22 O 0.63784(12) 0.84293(10) 0.33018(8) 0.0515(10) Uani 1 1 d U . .
H22 H 0.6540 0.8295 0.3185 0.062 Uiso 1 1 calc R . .
O23 O 0.59307(12) 0.78205(10) 0.33899(9) 0.0548(10) Uani 1 1 d U . .
O24 O 0.62543(11) 0.87809(10) 0.27612(8) 0.0528(10) Uani 1 1 d U . .
O25 O 0.71328(12) 0.85106(9) 0.36289(8) 0.0510(10) Uani 1 1 d U . .
O26 O 0.62708(11) 0.72265(9) 0.36963(8) 0.0482(10) Uani 1 1 d U . .
O27 O 0.58318(11) 0.84874(10) 0.22235(8) 0.0499(10) Uani 1 1 d U . .
O28 O 0.78916(11) 0.88412(10) 0.33851(8) 0.0494(10) Uani 1 1 d U . .
O29 O 0.57201(12) 0.70768(10) 0.31690(9) 0.0582(11) Uani 1 1 d U . .
H29 H 0.5957 0.7112 0.3062 0.070 Uiso 1 1 calc R . .
O30 O 0.65598(12) 0.89372(10) 0.21073(9) 0.0565(11) Uani 1 1 d U . .
H30 H 0.6707 0.8747 0.2146 0.068 Uiso 1 1 calc R . .
O31 O 0.80390(12) 0.82410(10) 0.37808(9) 0.0573(11) Uani 1 1 d U . .
H31 H 0.7986 0.8130 0.3606 0.069 Uiso 1 1 calc R . .
N1X N 0.54415(13) 0.79808(14) 0.27168(11) 0.0718(16) Uani 1 1 d DU . .
O2X O 0.56110(12) 0.82140(10) 0.28256(9) 0.0548(10) Uani 1 1 d DU . .
O3X O 0.5415(2) 0.77270(14) 0.28357(12) 0.124(2) Uani 1 1 d DU . .
O4X O 0.52841(17) 0.79811(13) 0.24853(10) 0.0866(17) Uani 1 1 d DU . .
N1Y N 0.71943(15) 0.91606(10) 0.29189(12) 0.0740(16) Uani 1 1 d DU . .
O2Y O 0.70445(12) 0.90148(10) 0.31185(8) 0.0538(10) Uani 1 1 d DU . .
O3Y O 0.70134(16) 0.92280(15) 0.27051(11) 0.1008(19) Uani 1 1 d DU . .
O4Y O 0.75309(13) 0.92534(14) 0.29120(10) 0.0847(16) Uani 1 1 d DU . .
N1Z N 0.69044(16) 0.77741(13) 0.39598(10) 0.0734(16) Uani 1 1 d DU . .
O2Z O 0.66304(12) 0.79013(10) 0.38460(10) 0.0597(11) Uani 1 1 d DU . .
O3Z O 0.72113(17) 0.78995(14) 0.40021(17) 0.135(2) Uani 1 1 d DU . .
O4Z O 0.69251(18) 0.75074(13) 0.40519(17) 0.125(2) Uani 1 1 d DU . .
O1F O 0.50792(13) 0.86339(14) 0.23915(10) 0.0805(15) Uani 1 1 d U . .
C2F C 0.4731(2) 0.86803(19) 0.24784(16) 0.075 Uiso 1 1 d U . .
C3F C 0.4422(5) 0.8515(4) 0.2278(3) 0.075 Uiso 0.50 1 d PU . .
C4F C 0.4693(5) 0.8986(4) 0.2458(3) 0.075 Uiso 0.50 1 d PU . .
C5F C 0.4675(5) 0.8549(4) 0.2773(3) 0.075 Uiso 0.50 1 d PU . .
O1G O 0.6135(2) 0.74439(13) 0.42480(11) 0.1033(19) Uani 1 1 d U . .
C2G C 0.6094(2) 0.75365(19) 0.45021(17) 0.075 Uiso 1 1 d U . .
C3G C 0.6311(5) 0.7329(4) 0.4708(3) 0.075 Uiso 0.50 1 d PU . .
C4G C 0.5740(5) 0.7477(4) 0.4497(3) 0.075 Uiso 0.50 1 d PU . .
C5G C 0.6219(5) 0.7861(4) 0.4549(3) 0.075 Uiso 0.50 1 d PU . .
O1H O 0.76492(15) 0.94654(11) 0.34824(13) 0.0865(16) Uani 1 1 d U . .
C2H C 0.7544(2) 0.97522(19) 0.35364(17) 0.075 Uiso 1 1 d U . .
C3H C 0.7835(5) 1.0002(4) 0.3406(3) 0.075 Uiso 0.50 1 d PU . .
C4H C 0.7149(5) 0.9818(4) 0.3449(3) 0.075 Uiso 0.50 1 d PU . .
C5H C 0.7632(5) 0.9746(4) 0.3792(3) 0.075 Uiso 0.50 1 d PU . .
C11A C 0.50682(10) 0.99561(7) 0.41773(6) 0.083(2) Uani 1 1 d GDU . .
C12A C 0.52952(12) 0.99057(10) 0.44045(7) 0.079(2) Uani 1 1 d GU . .
H12A H 0.5508 1.0033 0.4437 0.095 Uiso 1 1 calc R . .
C13A C 0.52109(14) 0.96693(10) 0.45849(7) 0.078(2) Uani 1 1 d GDU . .
C14A C 0.48995(14) 0.94832(9) 0.45379(8) 0.083(2) Uani 1 1 d GU . .
H14A H 0.4842 0.9322 0.4661 0.099 Uiso 1 1 calc R . .
C15A C 0.46725(13) 0.95336(10) 0.43107(9) 0.088(2) Uani 1 1 d GDU . .
C16A C 0.47569(10) 0.97701(9) 0.41304(8) 0.087(2) Uani 1 1 d GU . .
H16A H 0.4602 0.9804 0.3975 0.104 Uiso 1 1 calc R . .
C21A C 0.50881(13) 1.01967(7) 0.39796(7) 0.098(3) Uani 1 1 d GDU . .
C22A C 0.51425(16) 1.01671(8) 0.36942(7) 0.096(3) Uani 1 1 d GDU . .
C23A C 0.5175(2) 1.04202(10) 0.35146(8) 0.120(3) Uani 1 1 d GDU . .
H23A H 0.5196 1.0394 0.3322 0.144 Uiso 1 1 calc R . .
C24A C 0.5175(4) 1.07117(12) 0.36341(13) 0.133(4) Uani 1 1 d DU . .
H24A H 0.5200 1.0888 0.3522 0.160 Uiso 1 1 calc R . .
C25A C 0.5139(4) 1.07460(11) 0.39141(13) 0.131(4) Uani 1 1 d DU . .
H25A H 0.5133 1.0946 0.3990 0.158 Uiso 1 1 calc R . .
C26A C 0.5111(3) 1.04978(10) 0.40833(12) 0.114(3) Uani 1 1 d DU . .
H26A H 0.5106 1.0529 0.4275 0.136 Uiso 1 1 calc R . .
C31A C 0.5212(2) 0.98568(12) 0.35693(14) 0.086(2) Uani 1 1 d DU . .
C32A C 0.5471(2) 0.96510(14) 0.36767(13) 0.080(2) Uani 1 1 d DU . .
H32A H 0.5591 0.9696 0.3846 0.096 Uiso 1 1 calc R . .
C33A C 0.55585(19) 0.93800(14) 0.35410(11) 0.0680(19) Uani 1 1 d DU . .
H33A H 0.5743 0.9246 0.3616 0.082 Uiso 1 1 calc R . .
C34A C 0.53818(18) 0.93040(14) 0.33008(12) 0.072(2) Uani 1 1 d DU . .
C35A C 0.5110(2) 0.95019(15) 0.31975(13) 0.081(2) Uani 1 1 d DU . .
H35A H 0.4982 0.9452 0.3033 0.097 Uiso 1 1 calc R . .
C36A C 0.5026(2) 0.97729(15) 0.33341(14) 0.095(3) Uani 1 1 d DU . .
H36A H 0.4835 0.9903 0.3263 0.113 Uiso 1 1 calc R . .
C37A C 0.54971(18) 0.90211(13) 0.31462(13) 0.0600(17) Uani 1 1 d DU . .
O38A O 0.57398(12) 0.88477(11) 0.32540(9) 0.0582(11) Uani 1 1 d U . .
O39A O 0.53500(13) 0.89778(11) 0.29180(10) 0.0666(13) Uani 1 1 d U . .
C41A C 0.54742(15) 0.96471(19) 0.48251(10) 0.080(2) Uani 1 1 d DU . .
C42A C 0.58587(16) 0.9584(2) 0.47982(9) 0.084(2) Uani 1 1 d DU . .
C43A C 0.61066(15) 0.9594(2) 0.50254(12) 0.103(3) Uani 1 1 d DU . .
H43A H 0.6368 0.9555 0.5005 0.123 Uiso 1 1 calc R . .
C44A C 0.59528(19) 0.9664(2) 0.52815(11) 0.109(3) Uani 1 1 d DU . .
H44A H 0.6113 0.9679 0.5436 0.131 Uiso 1 1 calc R . .
C45A C 0.55695(19) 0.9711(2) 0.53114(11) 0.103(3) Uani 1 1 d DU . .
H45A H 0.5469 0.9751 0.5488 0.124 Uiso 1 1 calc R . .
C46A C 0.53341(17) 0.9701(2) 0.50904(12) 0.087(2) Uani 1 1 d DU . .
H46A H 0.5071 0.9732 0.5116 0.105 Uiso 1 1 calc R . .
C51A C 0.60319(19) 0.94969(18) 0.45275(13) 0.083(2) Uani 1 1 d DU . .
C52A C 0.58737(19) 0.92634(16) 0.43690(13) 0.071(2) Uani 1 1 d DU . .
H52A H 0.5639 0.9176 0.4420 0.085 Uiso 1 1 calc R . .
C53A C 0.60584(17) 0.91592(16) 0.41372(13) 0.0636(18) Uani 1 1 d DU . .
H53A H 0.5951 0.8999 0.4031 0.076 Uiso 1 1 calc R . .
C54A C 0.63975(17) 0.92863(15) 0.40587(13) 0.0632(18) Uani 1 1 d DU . .
C55A C 0.6553(2) 0.95257(17) 0.42092(15) 0.082(2) Uani 1 1 d DU . .
H55A H 0.6783 0.9618 0.4154 0.098 Uiso 1 1 calc R . .
C56A C 0.63652(19) 0.96290(18) 0.44424(15) 0.081(2) Uani 1 1 d DU . .
H56A H 0.6469 0.9794 0.4545 0.098 Uiso 1 1 calc R . .
C57A C 0.66116(19) 0.91579(16) 0.38190(12) 0.0569(16) Uani 1 1 d DU . .
O58A O 0.64557(12) 0.89553(10) 0.36732(9) 0.0536(10) Uani 1 1 d U . .
O59A O 0.69423(14) 0.92544(11) 0.37824(10) 0.0681(13) Uani 1 1 d U . .
C61A C 0.43346(15) 0.93208(14) 0.4291(2) 0.100(3) Uani 1 1 d DU . .
C62A C 0.43536(13) 0.90030(14) 0.4258(2) 0.103(3) Uani 1 1 d DU . .
C63A C 0.40243(18) 0.88192(14) 0.4249(3) 0.134(4) Uani 1 1 d DU . .
H63A H 0.4040 0.8602 0.4242 0.161 Uiso 1 1 calc R . .
C64A C 0.36759(16) 0.89695(19) 0.4249(3) 0.161(5) Uani 1 1 d DU . .
H64A H 0.3450 0.8853 0.4234 0.194 Uiso 1 1 calc R . .
C65A C 0.36553(17) 0.9285(2) 0.4272(3) 0.152(4) Uani 1 1 d DU . .
H65A H 0.3416 0.9383 0.4272 0.182 Uiso 1 1 calc R . .
C66A C 0.39749(19) 0.94581(15) 0.4295(2) 0.122(3) Uani 1 1 d DU . .
H66A H 0.3954 0.9674 0.4313 0.147 Uiso 1 1 calc R . .
C71A C 0.47184(17) 0.88342(16) 0.42087(15) 0.084(2) Uani 1 1 d DU . .
C72A C 0.49587(18) 0.89276(16) 0.39984(14) 0.073(2) Uani 1 1 d DU . .
H72A H 0.4912 0.9115 0.3906 0.088 Uiso 1 1 calc R . .
C73A C 0.52650(18) 0.87497(14) 0.39227(14) 0.0641(18) Uani 1 1 d DU . .
H73A H 0.5424 0.8816 0.3778 0.077 Uiso 1 1 calc R . .
C74A C 0.53428(16) 0.84787(14) 0.40537(13) 0.0608(17) Uani 1 1 d DU . .
C75A C 0.51134(18) 0.83854(17) 0.42678(14) 0.074(2) Uani 1 1 d DU . .
H75A H 0.5168 0.8202 0.4364 0.089 Uiso 1 1 calc R . .
C76A C 0.4802(2) 0.85624(16) 0.43416(16) 0.084(2) Uani 1 1 d DU . .
H76A H 0.4644 0.8495 0.4486 0.101 Uiso 1 1 calc R . .
C77A C 0.56578(17) 0.82780(16) 0.39504(14) 0.0581(16) Uani 1 1 d DU . .
O78A O 0.58714(12) 0.83807(11) 0.37676(9) 0.0557(11) Uani 1 1 d U . .
O79A O 0.56848(13) 0.80147(12) 0.40508(10) 0.0664(12) Uani 1 1 d U . .
C11B C 0.34536(8) 0.72862(9) 0.40538(7) 0.096(2) Uani 1 1 d GDU . .
C12B C 0.32849(11) 0.74903(9) 0.38730(9) 0.093(2) Uani 1 1 d GU . .
H12B H 0.3151 0.7415 0.3719 0.112 Uiso 1 1 calc R . .
C13B C 0.33121(15) 0.78040(9) 0.39182(12) 0.100(2) Uani 1 1 d GDU . .
C14B C 0.35080(14) 0.79137(10) 0.41440(12) 0.110(3) Uani 1 1 d GU . .
H14B H 0.3527 0.8128 0.4175 0.132 Uiso 1 1 calc R . .
C15B C 0.36766(14) 0.77096(12) 0.43247(11) 0.113(3) Uani 1 1 d GDU . .
C16B C 0.36494(13) 0.73959(11) 0.42796(8) 0.105(3) Uani 1 1 d GU . .
H16B H 0.3765 0.7256 0.4403 0.126 Uiso 1 1 calc R . .
C21B C 0.33902(10) 0.69468(9) 0.40069(7) 0.095(2) Uani 1 1 d GDU . .
C22B C 0.35108(11) 0.68012(9) 0.37675(8) 0.088(2) Uani 1 1 d GDU . .
C23B C 0.34073(15) 0.64973(10) 0.37151(11) 0.097(3) Uani 1 1 d GDU . .
H23B H 0.3477 0.6401 0.3548 0.116 Uiso 1 1 calc R . .
C24B C 0.3199(2) 0.63373(15) 0.39118(15) 0.117(3) Uani 1 1 d DU . .
H24B H 0.3116 0.6135 0.3874 0.140 Uiso 1 1 calc R . .
C25B C 0.3113(3) 0.64720(16) 0.41600(16) 0.129(4) Uani 1 1 d DU . .
H25B H 0.2995 0.6355 0.4300 0.154 Uiso 1 1 calc R . .
C26B C 0.3196(3) 0.67737(15) 0.42050(14) 0.118(3) Uani 1 1 d DU . .
H26B H 0.3121 0.6868 0.4372 0.141 Uiso 1 1 calc R . .
C31B C 0.37771(16) 0.69462(19) 0.35660(12) 0.079(2) Uani 1 1 d DU . .
C32B C 0.41309(16) 0.7040(2) 0.36602(15) 0.079(2) Uani 1 1 d DU . .
H32B H 0.4185 0.7041 0.3850 0.095 Uiso 1 1 calc R . .
C33B C 0.44022(18) 0.71305(17) 0.34716(12) 0.0686(19) Uani 1 1 d DU . .
H33B H 0.4646 0.7184 0.3536 0.082 Uiso 1 1 calc R . .
C34B C 0.43300(15) 0.71456(17) 0.31947(12) 0.0626(17) Uani 1 1 d DU . .
C35B C 0.39729(16) 0.70596(19) 0.31049(15) 0.077(2) Uani 1 1 d DU . .
H35B H 0.3913 0.7071 0.2916 0.092 Uiso 1 1 calc R . .
C36B C 0.37023(19) 0.6957(2) 0.32895(13) 0.083(2) Uani 1 1 d DU . .
H36B H 0.3463 0.6893 0.3224 0.100 Uiso 1 1 calc R . .
C37B C 0.46324(18) 0.72416(17) 0.29956(15) 0.0631(17) Uani 1 1 d DU . .
O38B O 0.49711(12) 0.72139(12) 0.30689(11) 0.0691(13) Uani 1 1 d U . .
O39B O 0.45392(14) 0.73509(13) 0.27682(11) 0.0734(14) Uani 1 1 d U . .
C41B C 0.31289(17) 0.8010(2) 0.3737(2) 0.116(3) Uani 1 1 d DU . .
C42B C 0.33255(12) 0.8218(2) 0.3573(2) 0.115(3) Uani 1 1 d DU . .
C43B C 0.31368(19) 0.8431(2) 0.3402(2) 0.153(4) Uani 1 1 d DU . .
H43B H 0.3273 0.8569 0.3289 0.184 Uiso 1 1 calc R . .
C44B C 0.2742(2) 0.8430(3) 0.3407(3) 0.179(5) Uani 1 1 d DU . .
H44B H 0.2608 0.8574 0.3298 0.215 Uiso 1 1 calc R . .
C45B C 0.25458(15) 0.8224(3) 0.3567(3) 0.167(5) Uani 1 1 d DU . .
H45B H 0.2278 0.8223 0.3563 0.201 Uiso 1 1 calc R . .
C46B C 0.27318(17) 0.8020(2) 0.3731(2) 0.141(4) Uani 1 1 d DU . .
H46B H 0.2591 0.7883 0.3842 0.169 Uiso 1 1 calc R . .
C51B C 0.37474(15) 0.82103(16) 0.3542(2) 0.100(3) Uani 1 1 d DU . .
C52B C 0.39265(19) 0.79314(18) 0.3498(2) 0.107(3) Uani 1 1 d DU . .
H52B H 0.3785 0.7747 0.3493 0.128 Uiso 1 1 calc R . .
C53B C 0.43151(19) 0.79252(18) 0.3462(2) 0.099(3) Uani 1 1 d DU . .
H53B H 0.4437 0.7732 0.3443 0.119 Uiso 1 1 calc R . .
C54B C 0.45304(16) 0.81862(15) 0.34537(18) 0.076(2) Uani 1 1 d DU . .
C55B C 0.43545(19) 0.84634(18) 0.3509(2) 0.104(3) Uani 1 1 d DU . .
H55B H 0.4497 0.8648 0.3513 0.124 Uiso 1 1 calc R . .
C56B C 0.39680(19) 0.84688(19) 0.3559(2) 0.112(3) Uani 1 1 d DU . .
H56B H 0.3853 0.8658 0.3607 0.134 Uiso 1 1 calc R . .
C57B C 0.49491(18) 0.8162(2) 0.34058(18) 0.083(2) Uani 1 1 d DU . .
O58B O 0.50785(19) 0.79001(17) 0.3398(2) 0.149(3) Uani 1 1 d U . .
O59B O 0.51336(14) 0.83923(15) 0.33645(12) 0.0864(16) Uani 1 1 d U . .
C61B C 0.3880(2) 0.7826(3) 0.45693(15) 0.121(3) Uani 1 1 d DU . .
C62B C 0.4246(2) 0.7733(2) 0.46342(16) 0.124(3) Uani 1 1 d DU . .
C63B C 0.4431(2) 0.7835(3) 0.4875(2) 0.158(5) Uani 1 1 d DU . .
H63B H 0.4679 0.7769 0.4917 0.190 Uiso 1 1 calc R . .
C64B C 0.4235(3) 0.8035(3) 0.5047(2) 0.186(5) Uani 1 1 d DU . .
H64B H 0.4357 0.8117 0.5204 0.223 Uiso 1 1 calc R . .
C65B C 0.3865(3) 0.8115(3) 0.4992(2) 0.180(5) Uani 1 1 d DU . .
H65B H 0.3731 0.8241 0.5117 0.217 Uiso 1 1 calc R . .
C66B C 0.3691(2) 0.8014(3) 0.4759(2) 0.167(5) Uani 1 1 d DU . .
H66B H 0.3437 0.8072 0.4725 0.201 Uiso 1 1 calc R . .
C71B C 0.4495(2) 0.75607(18) 0.44381(15) 0.091(2) Uani 1 1 d DU . .
C72B C 0.4585(2) 0.77132(19) 0.41964(15) 0.088(2) Uani 1 1 d DU . .
H72B H 0.4462 0.7900 0.4152 0.105 Uiso 1 1 calc R . .
C73B C 0.48535(18) 0.75941(15) 0.40206(16) 0.074(2) Uani 1 1 d DU . .
H73B H 0.4933 0.7711 0.3867 0.089 Uiso 1 1 calc R . .
C74B C 0.50070(17) 0.73093(14) 0.40651(12) 0.0609(17) Uani 1 1 d DU . .
C75B C 0.4892(2) 0.71403(18) 0.42899(13) 0.080(2) Uani 1 1 d DU . .
H75B H 0.4983 0.6938 0.4318 0.096 Uiso 1 1 calc R . .
C76B C 0.4640(2) 0.72707(19) 0.44753(17) 0.096(3) Uani 1 1 d DU . .
H76B H 0.4565 0.7156 0.4632 0.116 Uiso 1 1 calc R . .
C77B C 0.53147(16) 0.71969(18) 0.38784(14) 0.0584(16) Uani 1 1 d DU . .
O78B O 0.54451(12) 0.73945(11) 0.37078(10) 0.0643(12) Uani 1 1 d U . .
O79B O 0.54228(13) 0.69340(12) 0.38957(10) 0.0670(13) Uani 1 1 d U . .
C11C C 0.7145(2) 0.9060(2) 0.55589(14) 0.137(3) Uani 1 1 d GDU . .
C12C C 0.70655(17) 0.9328(2) 0.54179(15) 0.136(3) Uani 1 1 d GU A .
H12C H 0.6811 0.9389 0.5390 0.163 Uiso 1 1 calc R . .
C13C C 0.7358(3) 0.95082(17) 0.53173(13) 0.126(3) Uani 1 1 d GDU A .
C14C C 0.7730(2) 0.9419(2) 0.53576(15) 0.132(3) Uani 1 1 d GU A .
H14C H 0.7929 0.9542 0.5289 0.159 Uiso 1 1 calc R . .
C15C C 0.78096(18) 0.9150(2) 0.54986(15) 0.132(3) Uani 1 1 d GDU A .
C16C C 0.7517(3) 0.89704(17) 0.55992(13) 0.134(3) Uani 1 1 d GU A .
H16C H 0.7572 0.8787 0.5696 0.160 Uiso 1 1 calc R . .
C21C C 0.6779(5) 0.8922(6) 0.5665(4) 0.140(5) Uani 0.47(2) 1 d PGDU A 1
C22C C 0.6524(6) 0.8755(7) 0.5508(3) 0.133(5) Uani 0.47(2) 1 d PGDU A 1
C23C C 0.6217(6) 0.8615(6) 0.5632(4) 0.143(6) Uani 0.47(2) 1 d PGU A 1
H23C H 0.6043 0.8501 0.5525 0.172 Uiso 0.47(2) 1 calc PR A 1
C24C C 0.6164(6) 0.8641(7) 0.5913(4) 0.156(6) Uani 0.47(2) 1 d PGU A 1
H24C H 0.5953 0.8545 0.5997 0.188 Uiso 0.47(2) 1 calc PR A 1
C25C C 0.6418(6) 0.8808(7) 0.6069(3) 0.159(7) Uani 0.47(2) 1 d PGU A 1
H25C H 0.6382 0.8825 0.6261 0.191 Uiso 0.47(2) 1 calc PR A 1
C26C C 0.6726(6) 0.8948(7) 0.5946(4) 0.150(6) Uani 0.47(2) 1 d PGU A 1
H26C H 0.6900 0.9062 0.6053 0.180 Uiso 0.47(2) 1 calc PR A 1
C21' C 0.6865(6) 0.8817(5) 0.5681(4) 0.138(5) Uani 0.53(2) 1 d PGDU A 2
C22' C 0.6607(6) 0.8669(6) 0.5513(2) 0.133(5) Uani 0.53(2) 1 d PGDU A 2
C23' C 0.6330(6) 0.8483(6) 0.5626(3) 0.143(6) Uani 0.53(2) 1 d PGU A 2
H23' H 0.6154 0.8381 0.5511 0.172 Uiso 0.53(2) 1 calc PR A 2
C24' C 0.6312(6) 0.8444(6) 0.5908(3) 0.154(7) Uani 0.53(2) 1 d PGU A 2
H24' H 0.6124 0.8316 0.5986 0.185 Uiso 0.53(2) 1 calc PR A 2
C25' C 0.6570(7) 0.8592(6) 0.6076(2) 0.161(6) Uani 0.53(2) 1 d PGU A 2
H25' H 0.6558 0.8566 0.6269 0.193 Uiso 0.53(2) 1 calc PR A 2
C26' C 0.6847(6) 0.8779(6) 0.5962(3) 0.154(6) Uani 0.53(2) 1 d PGU A 2
H26' H 0.7023 0.8880 0.6077 0.185 Uiso 0.53(2) 1 calc PR A 2
C31C C 0.6608(2) 0.8696(3) 0.52095(11) 0.114(3) Uani 1 1 d DU . .
C32C C 0.6955(2) 0.8626(3) 0.50930(12) 0.108(3) Uani 1 1 d DU A .
H32C H 0.7170 0.8607 0.5207 0.130 Uiso 1 1 calc R . .
C33C C 0.69898(17) 0.8582(2) 0.48124(11) 0.099(3) Uani 1 1 d DU . .
H33C H 0.7231 0.8544 0.4736 0.119 Uiso 1 1 calc R A .
C34C C 0.66804(15) 0.85938(19) 0.46444(10) 0.072(2) Uani 1 1 d DU A .
C35C C 0.63326(17) 0.8665(2) 0.47583(12) 0.098(3) Uani 1 1 d DU . .
H35C H 0.6115 0.8674 0.4646 0.117 Uiso 1 1 calc R A .
C36C C 0.6304(2) 0.8722(3) 0.50372(12) 0.115(3) Uani 1 1 d DU A .
H36C H 0.6067 0.8781 0.5111 0.137 Uiso 1 1 calc R . .
C37C C 0.6723(2) 0.85379(19) 0.43426(10) 0.078(2) Uani 1 1 d DU . .
O38C O 0.7049(2) 0.8515(2) 0.42599(14) 0.152(3) Uani 1 1 d U A .
O39C O 0.64418(18) 0.85037(14) 0.41992(10) 0.0866(17) Uani 1 1 d U A .
C41C C 0.7282(3) 0.98083(18) 0.51832(17) 0.141(3) Uani 1 1 d DU . .
C42C C 0.7414(3) 0.98777(17) 0.49214(17) 0.124(3) Uani 1 1 d DU A .
C43C C 0.7370(3) 1.0173(2) 0.48054(17) 0.149(4) Uani 1 1 d DU . .
H43C H 0.7470 1.0221 0.4630 0.178 Uiso 1 1 calc R A .
C44C C 0.7173(4) 1.03920(19) 0.4958(2) 0.185(5) Uani 1 1 d DU A .
H44C H 0.7148 1.0595 0.4890 0.222 Uiso 1 1 calc R . .
C45C C 0.7015(5) 1.0317(2) 0.5208(3) 0.208(6) Uani 1 1 d DU . .
H45C H 0.6864 1.0463 0.5301 0.249 Uiso 1 1 calc R A .
C46C C 0.7072(4) 1.0035(3) 0.5322(2) 0.181(5) Uani 1 1 d DU A .
H46C H 0.6969 0.9990 0.5497 0.217 Uiso 1 1 calc R . .
C51C C 0.7575(2) 0.96414(18) 0.47277(18) 0.095(3) Uani 1 1 d DU . .
C52C C 0.7341(2) 0.94038(17) 0.46417(15) 0.086(2) Uani 1 1 d DU A .
H52C H 0.7100 0.9378 0.4723 0.103 Uiso 1 1 calc R . .
C53C C 0.74580(18) 0.92054(17) 0.44386(14) 0.072(2) Uani 1 1 d DU . .
H53C H 0.7291 0.9052 0.4372 0.087 Uiso 1 1 calc R A .
C54C C 0.78156(16) 0.92289(14) 0.43318(13) 0.0606(17) Uani 1 1 d DU A .
C55C C 0.8064(2) 0.94477(17) 0.44303(16) 0.083(2) Uani 1 1 d DU . .
H55C H 0.8316 0.9456 0.4365 0.100 Uiso 1 1 calc R A .
C56C C 0.7937(2) 0.9655(2) 0.46270(18) 0.101(3) Uani 1 1 d DU A .
H56C H 0.8104 0.9809 0.4693 0.122 Uiso 1 1 calc R . .
C57C C 0.7924(2) 0.90242(15) 0.40972(12) 0.0594(16) Uani 1 1 d DU . .
O58C O 0.76638(14) 0.88654(11) 0.39836(9) 0.0630(12) Uani 1 1 d U A .
O59C O 0.82573(14) 0.90263(12) 0.40207(10) 0.0693(13) Uani 1 1 d U A .
C61C C 0.8210(2) 0.9062(2) 0.5549(2) 0.142(4) Uani 1 1 d DU . .
C62C C 0.8366(2) 0.8788(2) 0.5453(2) 0.125(3) Uani 1 1 d DU A .
C63C C 0.8726(3) 0.8684(2) 0.5538(2) 0.143(4) Uani 1 1 d DU . .
H63C H 0.8825 0.8494 0.5477 0.171 Uiso 1 1 calc R A .
C64C C 0.8930(3) 0.8873(3) 0.5716(3) 0.182(5) Uani 1 1 d DU A .
H64C H 0.9173 0.8810 0.5776 0.219 Uiso 1 1 calc R . .
C65C C 0.8782(3) 0.9148(3) 0.5806(3) 0.190(6) Uani 1 1 d DU . .
H65C H 0.8924 0.9271 0.5929 0.229 Uiso 1 1 calc R A .
C66C C 0.8436(3) 0.9246(2) 0.5720(3) 0.177(5) Uani 1 1 d DU A .
H66C H 0.8346 0.9441 0.5777 0.212 Uiso 1 1 calc R . .
C71C C 0.8183(3) 0.86001(18) 0.52319(14) 0.101(3) Uani 1 1 d DU . .
C72C C 0.8111(3) 0.8735(2) 0.49788(15) 0.099(3) Uani 1 1 d DU A .
H72C H 0.8141 0.8950 0.4956 0.118 Uiso 1 1 calc R . .
C73C C 0.7997(2) 0.85546(17) 0.47615(17) 0.087(2) Uani 1 1 d DU . .
H73C H 0.7957 0.8646 0.4587 0.104 Uiso 1 1 calc R A .
C74C C 0.7941(2) 0.82449(16) 0.47947(12) 0.076(2) Uani 1 1 d DU A .
C75C C 0.8009(3) 0.81112(19) 0.50488(13) 0.100(3) Uani 1 1 d DU . .
H75C H 0.7975 0.7897 0.5072 0.120 Uiso 1 1 calc R A .
C76C C 0.8127(3) 0.82904(19) 0.52687(16) 0.110(3) Uani 1 1 d DU A .
H76C H 0.8168 0.8200 0.5443 0.132 Uiso 1 1 calc R . .
C77C C 0.7840(2) 0.8043(2) 0.45538(14) 0.083(2) Uani 1 1 d DU . .
O78C O 0.78789(16) 0.81280(15) 0.43216(11) 0.0901(16) Uani 1 1 d U . .
O79C O 0.76825(19) 0.77821(16) 0.46069(12) 0.0988(18) Uani 1 1 d U A .
C11D C 0.98182(8) 0.96477(7) 0.46223(6) 0.076(2) Uani 1 1 d GDU . .
C12D C 0.99241(11) 0.98258(9) 0.43996(8) 0.078(2) Uani 1 1 d GU . .
H12D H 0.9785 1.0005 0.4355 0.093 Uiso 1 1 calc R . .
C13D C 1.02334(11) 0.97417(11) 0.42421(8) 0.082(2) Uani 1 1 d GDU . .
C14D C 1.04368(9) 0.94795(11) 0.43073(9) 0.084(2) Uani 1 1 d GU . .
H14D H 1.0648 0.9422 0.4200 0.100 Uiso 1 1 calc R . .
C15D C 1.03309(10) 0.93013(10) 0.45300(10) 0.081(2) Uani 1 1 d GDU . .
C16D C 1.00216(9) 0.93854(8) 0.46875(8) 0.077(2) Uani 1 1 d GU . .
H16D H 0.9949 0.9264 0.4840 0.093 Uiso 1 1 calc R . .
C21D C 0.94891(9) 0.97239(7) 0.48027(7) 0.079(2) Uani 1 1 d GDU . .
C22D C 0.91943(9) 0.95244(8) 0.48530(8) 0.078(2) Uani 1 1 d GDU . .
C23D C 0.89132(11) 0.95874(11) 0.50480(9) 0.084(2) Uani 1 1 d GDU . .
H23D H 0.8717 0.9445 0.5084 0.101 Uiso 1 1 calc R . .
C24D C 0.8933(2) 0.98675(15) 0.51867(16) 0.103(3) Uani 1 1 d DU . .
H24D H 0.8749 0.9916 0.5321 0.124 Uiso 1 1 calc R . .
C25D C 0.9218(2) 1.00747(15) 0.51297(16) 0.102(3) Uani 1 1 d DU . .
H25D H 0.9224 1.0266 0.5222 0.123 Uiso 1 1 calc R . .
C26D C 0.94900(19) 1.00072(12) 0.49416(15) 0.091(3) Uani 1 1 d DU . .
H26D H 0.9682 1.0153 0.4904 0.109 Uiso 1 1 calc R . .
C31D C 0.9139(2) 0.92408(13) 0.46831(11) 0.0684(19) Uani 1 1 d DU . .
C32D C 0.9145(2) 0.92601(15) 0.43977(11) 0.0664(18) Uani 1 1 d DU . .
H32D H 0.9209 0.9448 0.4311 0.080 Uiso 1 1 calc R . .
C33D C 0.90593(18) 0.90049(12) 0.42414(12) 0.0557(16) Uani 1 1 d DU . .
H33D H 0.9063 0.9017 0.4048 0.067 Uiso 1 1 calc R . .
C34D C 0.89690(19) 0.87338(13) 0.43682(11) 0.0580(16) Uani 1 1 d DU . .
C35D C 0.8961(2) 0.87101(16) 0.46509(11) 0.0687(19) Uani 1 1 d DU . .
H35D H 0.8897 0.8522 0.4736 0.082 Uiso 1 1 calc R . .
C36D C 0.9049(2) 0.89670(14) 0.48074(13) 0.076(2) Uani 1 1 d DU . .
H36D H 0.9047 0.8953 0.5001 0.091 Uiso 1 1 calc R . .
C37D C 0.88404(19) 0.84663(15) 0.41982(14) 0.0588(16) Uani 1 1 d DU . .
O38D O 0.88482(12) 0.84869(10) 0.39380(9) 0.0559(11) Uani 1 1 d U . .
O39D O 0.87212(14) 0.82332(12) 0.43218(10) 0.0675(13) Uani 1 1 d U . .
C41D C 1.03595(18) 0.99383(18) 0.40063(13) 0.091(2) Uani 1 1 d DU . .
C42D C 1.01300(16) 1.00072(19) 0.37824(15) 0.095(3) Uani 1 1 d DU . .
C43D C 1.0250(2) 1.0208(2) 0.35717(15) 0.120(3) Uani 1 1 d DU . .
H43D H 1.0083 1.0271 0.3431 0.144 Uiso 1 1 calc R . .
C44D C 1.0624(2) 1.0309(3) 0.35790(18) 0.136(4) Uani 1 1 d DU . .
H44D H 1.0719 1.0431 0.3433 0.163 Uiso 1 1 calc R . .
C45D C 1.0857(2) 1.0235(3) 0.3796(2) 0.135(4) Uani 1 1 d DU . .
H45D H 1.1107 1.0314 0.3802 0.162 Uiso 1 1 calc R . .
C46D C 1.07317(18) 1.0051(2) 0.40033(16) 0.108(3) Uani 1 1 d DU . .
H46D H 1.0899 0.9999 0.4148 0.130 Uiso 1 1 calc R . .
C51D C 0.97553(16) 0.98490(14) 0.37407(17) 0.078(2) Uani 1 1 d DU . .
C52D C 0.97410(19) 0.95293(14) 0.37450(15) 0.0698(19) Uani 1 1 d DU . .
H52D H 0.9954 0.9414 0.3802 0.084 Uiso 1 1 calc R . .
C53D C 0.94126(15) 0.93821(15) 0.36652(13) 0.0603(17) Uani 1 1 d DU . .
H53D H 0.9406 0.9165 0.3661 0.072 Uiso 1 1 calc R . .
C54D C 0.90974(16) 0.95435(12) 0.35927(14) 0.0607(17) Uani 1 1 d DU . .
C55D C 0.9109(2) 0.98617(13) 0.35883(15) 0.073(2) Uani 1 1 d DU . .
H55D H 0.8893 0.9975 0.3534 0.088 Uiso 1 1 calc R . .
C56D C 0.94385(18) 1.00127(16) 0.36635(17) 0.082(2) Uani 1 1 d DU . .
H56D H 0.9446 1.0230 0.3662 0.099 Uiso 1 1 calc R . .
C57D C 0.87578(17) 0.93738(16) 0.34879(14) 0.0570(16) Uani 1 1 d DU . .
O58D O 0.87611(12) 0.90866(10) 0.34890(9) 0.0560(11) Uani 1 1 d U . .
O59D O 0.84904(14) 0.95296(11) 0.33915(10) 0.0649(12) Uani 1 1 d U . .
C61D C 1.0567(2) 0.90355(15) 0.46079(13) 0.088(2) Uani 1 1 d DU . .
C62D C 1.0645(2) 0.87974(16) 0.44255(11) 0.086(2) Uani 1 1 d DU . .
C63D C 1.0910(2) 0.85646(17) 0.44881(14) 0.101(3) Uani 1 1 d DU . .
H63D H 1.0971 0.8409 0.4359 0.121 Uiso 1 1 calc R . .
C64D C 1.1080(3) 0.8572(2) 0.47464(16) 0.115(3) Uani 1 1 d DU . .
H64D H 1.1258 0.8418 0.4795 0.137 Uiso 1 1 calc R . .
C65D C 1.0991(3) 0.8800(2) 0.49324(14) 0.123(4) Uani 1 1 d DU . .
H65D H 1.1104 0.8797 0.5109 0.148 Uiso 1 1 calc R . .
C66D C 1.0744(3) 0.90277(19) 0.48659(13) 0.107(3) Uani 1 1 d DU . .
H66D H 1.0690 0.9184 0.4996 0.129 Uiso 1 1 calc R . .
C71D C 1.04403(15) 0.87713(19) 0.41559(11) 0.073(2) Uani 1 1 d DU . .
C72D C 1.00467(15) 0.87804(16) 0.41512(13) 0.0652(18) Uani 1 1 d DU . .
H72D H 0.9910 0.8826 0.4313 0.078 Uiso 1 1 calc R . .
C73D C 0.98555(17) 0.87221(15) 0.39099(11) 0.0564(16) Uani 1 1 d DU . .
H73D H 0.9588 0.8728 0.3908 0.068 Uiso 1 1 calc R . .
C74D C 1.00473(14) 0.86565(16) 0.36728(11) 0.0589(17) Uani 1 1 d DU . .
C75D C 1.04391(15) 0.86487(17) 0.36758(13) 0.0648(18) Uani 1 1 d DU . .
H75D H 1.0574 0.8606 0.3512 0.078 Uiso 1 1 calc R . .
C76D C 1.06335(18) 0.8704(2) 0.39181(12) 0.079(2) Uani 1 1 d DU . .
H76D H 1.0901 0.8694 0.3920 0.094 Uiso 1 1 calc R . .
C77D C 0.9840(2) 0.85650(16) 0.34166(12) 0.0571(16) Uani 1 1 d DU . .
O78D O 1.00289(13) 0.84744(11) 0.32180(10) 0.0621(12) Uani 1 1 d U . .
O79D O 0.94786(12) 0.85732(10) 0.34208(9) 0.0529(11) Uani 1 1 d U . .
C11E C 0.54205(13) 1.08392(8) 0.22252(9) 0.127(3) Uani 1 1 d GDU . .
C12E C 0.56457(18) 1.09657(12) 0.24286(9) 0.133(3) Uani 1 1 d GU B .
H12E H 0.5866 1.1077 0.2381 0.160 Uiso 1 1 calc R . .
C13E C 0.5548(2) 1.09297(15) 0.27019(9) 0.141(3) Uani 1 1 d GDU . .
C14E C 0.5225(2) 1.07673(14) 0.27719(9) 0.135(3) Uani 1 1 d GU B .
H14E H 0.5158 1.0743 0.2959 0.162 Uiso 1 1 calc R . .
C15E C 0.49998(19) 1.06408(14) 0.25685(12) 0.128(3) Uani 1 1 d GDU . .
C16E C 0.50976(15) 1.06768(13) 0.22952(11) 0.124(3) Uani 1 1 d GU B .
H16E H 0.4944 1.0590 0.2156 0.149 Uiso 1 1 calc R . .
C21E C 0.55328(14) 1.08969(10) 0.19282(9) 0.130(3) Uani 1 1 d GDU . .
C22E C 0.58565(14) 1.07794(12) 0.18063(9) 0.110(3) Uani 1 1 d GDU . .
C23E C 0.59770(18) 1.08626(15) 0.15330(10) 0.127(4) Uani 1 1 d GDU . .
H23E H 0.6204 1.0788 0.1455 0.152 Uiso 1 1 calc R . .
C24E C 0.5735(3) 1.1061(3) 0.13925(16) 0.149(4) Uani 1 1 d DU . .
H24E H 0.5806 1.1133 0.1216 0.179 Uiso 1 1 calc R . .
C25E C 0.5396(3) 1.1156(3) 0.15034(17) 0.171(5) Uani 1 1 d DU . .
H25E H 0.5229 1.1275 0.1395 0.205 Uiso 1 1 calc R . .
C26E C 0.5296(3) 1.1081(3) 0.17649(16) 0.163(5) Uani 1 1 d DU . .
H26E H 0.5065 1.1154 0.1837 0.196 Uiso 1 1 calc R . .
C31E C 0.6093(2) 1.05450(16) 0.19511(19) 0.095(3) Uani 1 1 d DU . .
C32E C 0.5946(2) 1.02558(15) 0.20072(17) 0.087(2) Uani 1 1 d DU . .
H32E H 0.5686 1.0214 0.1978 0.104 Uiso 1 1 calc R . .
C33E C 0.61844(18) 1.00296(17) 0.21061(16) 0.075(2) Uani 1 1 d DU . .
H33E H 0.6084 0.9832 0.2142 0.090 Uiso 1 1 calc R . .
C34E C 0.65614(17) 1.00821(13) 0.21546(15) 0.0679(18) Uani 1 1 d DU . .
C35E C 0.6705(2) 1.03730(14) 0.21026(18) 0.087(2) Uani 1 1 d DU . .
H35E H 0.6963 1.0416 0.2138 0.104 Uiso 1 1 calc R . .
C36E C 0.6471(2) 1.06010(17) 0.1998(2) 0.097(3) Uani 1 1 d DU . .
H36E H 0.6572 1.0798 0.1959 0.117 Uiso 1 1 calc R . .
C37E C 0.6816(2) 0.98300(15) 0.22545(14) 0.0616(17) Uani 1 1 d DU . .
O38E O 0.67069(14) 0.95591(11) 0.22234(9) 0.0632(12) Uani 1 1 d U . .
O39E O 0.71286(15) 0.98963(11) 0.23574(11) 0.0735(14) Uani 1 1 d U . .
C41E C 0.5830(6) 1.1083(4) 0.2896(4) 0.148(5) Uani 0.546(18) 1 d PGDU B 1
C42E C 0.6041(7) 1.0910(2) 0.3079(5) 0.141(5) Uani 0.546(18) 1 d PGDU B 1
C43E C 0.6275(7) 1.1055(4) 0.3266(4) 0.153(6) Uani 0.546(18) 1 d PGU B 1
H43E H 0.6419 1.0937 0.3392 0.184 Uiso 0.546(18) 1 calc PR B 1
C44E C 0.6298(7) 1.1373(4) 0.3271(4) 0.170(7) Uani 0.546(18) 1 d PGU B 1
H44E H 0.6458 1.1472 0.3399 0.204 Uiso 0.546(18) 1 calc PR B 1
C45E C 0.6087(8) 1.1546(2) 0.3088(5) 0.177(7) Uani 0.546(18) 1 d PGU B 1
H45E H 0.6102 1.1763 0.3091 0.213 Uiso 0.546(18) 1 calc PR B 1
C46E C 0.5853(7) 1.1401(4) 0.2900(4) 0.158(6) Uani 0.546(18) 1 d PGU B 1
H46E H 0.5708 1.1519 0.2775 0.190 Uiso 0.546(18) 1 calc PR B 1
C41$ C 0.5716(8) 1.1055(4) 0.2959(4) 0.149(5) Uani 0.454(18) 1 d PGDU B 2
C42$ C 0.5979(9) 1.0907(3) 0.3123(5) 0.141(5) Uani 0.454(18) 1 d PGDU B 2
C43$ C 0.6142(8) 1.1060(5) 0.3343(5) 0.154(6) Uani 0.454(18) 1 d PGU B 2
H43$ H 0.6321 1.0959 0.3455 0.185 Uiso 0.454(18) 1 calc PR B 2
C44$ C 0.6042(8) 1.1362(5) 0.3398(4) 0.168(7) Uani 0.454(18) 1 d PGU B 2
H44$ H 0.6153 1.1467 0.3547 0.201 Uiso 0.454(18) 1 calc PR B 2
C45$ C 0.5779(9) 1.1510(3) 0.3233(5) 0.179(8) Uani 0.454(18) 1 d PGU B 2
H45$ H 0.5711 1.1716 0.3271 0.215 Uiso 0.454(18) 1 calc PR B 2
C46$ C 0.5616(8) 1.1357(5) 0.3014(5) 0.162(7) Uani 0.454(18) 1 d PGU B 2
H46$ H 0.5437 1.1458 0.2902 0.194 Uiso 0.454(18) 1 calc PR B 2
C51E C 0.6063(3) 1.05656(13) 0.30887(14) 0.105(3) Uani 1 1 d DU . .
C52E C 0.6077(3) 1.04117(13) 0.28405(13) 0.097(3) Uani 1 1 d DU B .
H52E H 0.6041 1.0523 0.2675 0.116 Uiso 1 1 calc R . .
C53E C 0.6142(3) 1.00975(13) 0.28296(11) 0.084(2) Uani 1 1 d DU . .
H53E H 0.6155 0.9998 0.2657 0.101 Uiso 1 1 calc R B .
C54E C 0.6189(2) 0.99298(11) 0.30645(11) 0.074(2) Uani 1 1 d DU B .
C55E C 0.6160(3) 1.00789(13) 0.33146(11) 0.090(3) Uani 1 1 d DU . .
H55E H 0.6189 0.9967 0.3480 0.108 Uiso 1 1 calc R B .
C56E C 0.6091(3) 1.03925(14) 0.33229(13) 0.106(3) Uani 1 1 d DU B .
H56E H 0.6062 1.0490 0.3495 0.128 Uiso 1 1 calc R . .
C57E C 0.6256(2) 0.95900(12) 0.30479(15) 0.0700(19) Uani 1 1 d DU . .
O58E O 0.61940(19) 0.94695(14) 0.28205(13) 0.0999(19) Uani 1 1 d U B .
O59E O 0.63489(15) 0.94484(12) 0.32536(11) 0.0730(13) Uani 1 1 d U B .
C61E C 0.4631(2) 1.0499(2) 0.2628(2) 0.136(3) Uani 1 1 d DU B .
C62E C 0.4541(2) 1.02053(19) 0.2535(2) 0.128(3) Uani 1 1 d DU . .
C63E C 0.4178(3) 1.00765(19) 0.2573(2) 0.153(4) Uani 1 1 d DU B .
H63E H 0.4119 0.9877 0.2507 0.184 Uiso 1 1 calc R . .
C64E C 0.3910(2) 1.0254(3) 0.2711(3) 0.184(5) Uani 1 1 d DU . .
H64E H 0.3661 1.0177 0.2733 0.221 Uiso 1 1 calc R B .
C65E C 0.4002(3) 1.0539(3) 0.2815(3) 0.189(6) Uani 1 1 d DU B .
H65E H 0.3820 1.0651 0.2916 0.227 Uiso 1 1 calc R . .
C66E C 0.4353(3) 1.0660(2) 0.2775(3) 0.172(5) Uani 1 1 d DU . .
H66E H 0.4410 1.0857 0.2847 0.206 Uiso 1 1 calc R B .
C71E C 0.4839(2) 0.9995(2) 0.24203(16) 0.100(3) Uani 1 1 d DU B .
C72E C 0.5144(2) 0.99136(19) 0.25834(17) 0.098(3) Uani 1 1 d DU . .
H72E H 0.5188 1.0017 0.2751 0.118 Uiso 1 1 calc R B .
C73E C 0.5386(2) 0.96810(17) 0.25007(14) 0.078(2) Uani 1 1 d DU B .
H73E H 0.5583 0.9617 0.2619 0.094 Uiso 1 1 calc R . .
C74E C 0.53434(18) 0.95411(15) 0.22509(13) 0.0656(18) Uani 1 1 d DU . .
C75E C 0.50600(19) 0.96363(18) 0.20750(15) 0.080(2) Uani 1 1 d DU B .
H75E H 0.5038 0.9551 0.1897 0.096 Uiso 1 1 calc R . .
C76E C 0.4809(2) 0.9860(2) 0.21663(16) 0.100(3) Uani 1 1 d DU . .
H76E H 0.4609 0.9921 0.2049 0.119 Uiso 1 1 calc R B .
C77E C 0.55992(19) 0.92800(14) 0.21728(16) 0.0616(17) Uani 1 1 d DU B .
O78E O 0.58101(13) 0.91716(11) 0.23653(10) 0.0637(12) Uani 1 1 d U . .
O79E O 0.55911(14) 0.91793(11) 0.19360(10) 0.0656(13) Uani 1 1 d U . .
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'
Cd Cd -0.8075 1.2024 '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'
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
O39B Cd1 O39B 80.3(3) . 3_565
O39B Cd1 O4X 125.7(2) . .
O39B Cd1 O4X 91.3(2) 3_565 .
O39B Cd1 O4X 91.3(2) . 3_565
O39B Cd1 O4X 125.7(2) 3_565 3_565
O4X Cd1 O4X 133.3(3) . 3_565
O39B Cd1 O3X 99.4(2) . .
O39B Cd1 O3X 136.6(2) 3_565 .
O4X Cd1 O3X 53.53(18) . .
O4X Cd1 O3X 97.6(2) 3_565 .
O39B Cd1 O3X 136.6(2) . 3_565
O39B Cd1 O3X 99.4(2) 3_565 3_565
O4X Cd1 O3X 97.6(2) . 3_565
O4X Cd1 O3X 53.53(18) 3_565 3_565
O3X Cd1 O3X 108.9(4) . 3_565
O39E Cd2 O39E 82.6(3) 4_655 .
O39E Cd2 O4Y 93.66(19) 4_655 .
O39E Cd2 O4Y 131.3(2) . .
O39E Cd2 O4Y 131.3(2) 4_655 4_655
O39E Cd2 O4Y 93.66(19) . 4_655
O4Y Cd2 O4Y 122.4(3) . 4_655
O39E Cd2 O3Y 133.6(2) 4_655 .
O39E Cd2 O3Y 95.4(2) . .
O4Y Cd2 O3Y 53.76(17) . .
O4Y Cd2 O3Y 95.1(2) 4_655 .
O39E Cd2 O3Y 95.4(2) 4_655 4_655
O39E Cd2 O3Y 133.6(2) . 4_655
O4Y Cd2 O3Y 95.1(2) . 4_655
O4Y Cd2 O3Y 53.76(17) 4_655 4_655
O3Y Cd2 O3Y 117.1(4) . 4_655
O79C Cd3 O79C 77.3(4) 2_665 .
O79C Cd3 O4Z 94.7(3) 2_665 .
O79C Cd3 O4Z 126.3(3) . .
O79C Cd3 O4Z 126.3(3) 2_665 2_665
O79C Cd3 O4Z 94.7(3) . 2_665
O4Z Cd3 O4Z 128.9(4) . 2_665
O79C Cd3 O3Z 133.3(3) 2_665 .
O79C Cd3 O3Z 97.0(3) . .
O4Z Cd3 O3Z 51.34(19) . .
O4Z Cd3 O3Z 100.3(3) 2_665 .
O79C Cd3 O3Z 97.0(3) 2_665 2_665
O79C Cd3 O3Z 133.3(3) . 2_665
O4Z Cd3 O3Z 100.3(3) . 2_665
O4Z Cd3 O3Z 51.34(19) 2_665 2_665
O3Z Cd3 O3Z 117.8(4) . 2_665
O29 Cd4 O3X 102.7(2) . .
O29 Cd4 O23 104.42(16) . .
O3X Cd4 O23 95.87(19) . .
O29 Cd4 O58B 164.1(2) . .
O3X Cd4 O58B 88.0(3) . .
O23 Cd4 O58B 85.9(3) . .
O29 Cd4 O78B 87.82(17) . .
O3X Cd4 O78B 169.5(2) . .
O23 Cd4 O78B 81.75(16) . .
O58B Cd4 O78B 81.6(3) . .
O29 Cd4 O38B 74.51(16) . .
O3X Cd4 O38B 80.7(2) . .
O23 Cd4 O38B 176.03(17) . .
O58B Cd4 O38B 96.0(3) . .
O78B Cd4 O38B 101.97(17) . .
O27 Cd5 O78D 114.23(17) . 4_655
O27 Cd5 O4X 92.06(17) . .
O78D Cd5 O4X 140.3(2) 4_655 .
O27 Cd5 O29 88.76(16) . 3_565
O78D Cd5 O29 105.50(17) 4_655 3_565
O4X Cd5 O29 104.2(2) . 3_565
O27 Cd5 O38B 157.44(16) . 3_565
O78D Cd5 O38B 83.06(17) 4_655 3_565
O4X Cd5 O38B 81.64(18) . 3_565
O29 Cd5 O38B 72.04(16) 3_565 3_565
O27 Cd5 O1F 74.63(16) . .
O78D Cd5 O1F 81.27(17) 4_655 .
O4X Cd5 O1F 77.7(2) . .
O29 Cd5 O1F 163.38(16) 3_565 .
O38B Cd5 O1F 124.33(16) 3_565 .
O30 Cd6 O58E 162.5(2) . .
O30 Cd6 O24 101.70(16) . .
O58E Cd6 O24 85.4(2) . .
O30 Cd6 O3Y 106.1(2) . .
O58E Cd6 O3Y 88.9(2) . .
O24 Cd6 O3Y 95.92(17) . .
O30 Cd6 O78E 86.09(17) . .
O58E Cd6 O78E 78.9(2) . .
O24 Cd6 O78E 82.37(16) . .
O3Y Cd6 O78E 167.8(2) . .
O30 Cd6 O38E 76.25(16) . .
O58E Cd6 O38E 98.0(2) . .
O24 Cd6 O38E 174.67(16) . .
O3Y Cd6 O38E 80.07(18) . .
O78E Cd6 O38E 102.29(17) . .
O59D Cd7 O28 111.19(17) . .
O59D Cd7 O30 104.63(17) . 4_655
O28 Cd7 O30 88.01(15) . 4_655
O59D Cd7 O4Y 146.3(2) . .
O28 Cd7 O4Y 90.60(17) . .
O30 Cd7 O4Y 101.37(19) 4_655 .
O59D Cd7 O38E 83.84(17) . 4_655
O28 Cd7 O38E 159.60(15) . 4_655
O30 Cd7 O38E 74.46(16) 4_655 4_655
O4Y Cd7 O38E 82.89(17) . 4_655
O59D Cd7 O1H 81.46(19) . .
O28 Cd7 O1H 77.14(16) . .
O30 Cd7 O1H 165.15(17) 4_655 .
O4Y Cd7 O1H 78.7(2) . .
O38E Cd7 O1H 120.04(17) 4_655 .
O59D Cd7 Cd13 113.10(13) . .
O28 Cd7 Cd13 38.56(10) . .
O30 Cd7 Cd13 122.26(12) 4_655 .
O4Y Cd7 Cd13 68.38(12) . .
O38E Cd7 Cd13 148.60(12) 4_655 .
O1H Cd7 Cd13 43.72(12) . .
O38C Cd8 O3Z 86.5(3) . .
O38C Cd8 O25 89.0(3) . .
O3Z Cd8 O25 93.79(19) . .
O38C Cd8 O31 164.1(2) . .
O3Z Cd8 O31 102.4(2) . .
O25 Cd8 O31 103.42(16) . .
O38C Cd8 O58C 82.8(3) . .
O3Z Cd8 O58C 168.6(2) . .
O25 Cd8 O58C 82.26(16) . .
O31 Cd8 O58C 88.93(16) . .
O38C Cd8 O78C 95.8(3) . .
O3Z Cd8 O78C 81.4(2) . .
O25 Cd8 O78C 173.00(18) . .
O31 Cd8 O78C 72.85(18) . .
O58C Cd8 O78C 103.4(2) . .
O4Z Cd9 O26 90.88(19) . .
O4Z Cd9 O39D 141.8(3) . 2_665
O26 Cd9 O39D 111.23(17) . 2_665
O4Z Cd9 O31 104.0(2) . 2_665
O26 Cd9 O31 91.46(16) . 2_665
O39D Cd9 O31 106.07(17) 2_665 2_665
O4Z Cd9 O78C 86.0(2) . 2_665
O26 Cd9 O78C 161.70(17) . 2_665
O39D Cd9 O78C 81.52(19) 2_665 2_665
O31 Cd9 O78C 71.91(19) 2_665 2_665
O4Z Cd9 O1G 77.5(3) . .
O26 Cd9 O1G 75.01(16) . .
O39D Cd9 O1G 78.7(2) 2_665 .
O31 Cd9 O1G 166.44(17) 2_665 .
O78C Cd9 O1G 121.61(19) 2_665 .
O59B Cd10 O23 113.9(2) . .
O59B Cd10 O22 154.02(19) . .
O23 Cd10 O22 86.12(15) . .
O59B Cd10 O2X 89.44(18) . .
O23 Cd10 O2X 96.41(15) . .
O22 Cd10 O2X 105.22(15) . .
O59B Cd10 O38A 80.4(2) . .
O23 Cd10 O38A 161.43(16) . .
O22 Cd10 O38A 77.02(15) . .
O2X Cd10 O38A 95.50(15) . .
O59B Cd10 O78A 89.79(18) . .
O23 Cd10 O78A 82.18(16) . .
O22 Cd10 O78A 76.20(15) . .
O2X Cd10 O78A 177.95(15) . .
O38A Cd10 O78A 86.24(16) . .
O27 Cd11 O39A 160.59(17) . .
O27 Cd11 O24 94.62(15) . .
O39A Cd11 O24 99.09(17) . .
O27 Cd11 O2X 92.23(15) . .
O39A Cd11 O2X 100.19(17) . .
O24 Cd11 O2X 94.82(16) . .
O27 Cd11 O1F 77.91(16) . .
O39A Cd11 O1F 86.63(18) . .
O24 Cd11 O1F 169.67(17) . .
O2X Cd11 O1F 92.60(19) . .
O27 Cd11 O78E 81.31(15) . .
O39A Cd11 O78E 87.88(18) . .
O24 Cd11 O78E 78.94(16) . .
O2X Cd11 O78E 170.55(15) . .
O1F Cd11 O78E 92.77(19) . .
O59E Cd12 O24 114.67(18) . .
O59E Cd12 O22 156.43(17) . .
O24 Cd12 O22 85.31(15) . .
O59E Cd12 O2Y 88.05(17) . .
O24 Cd12 O2Y 97.98(15) . .
O22 Cd12 O2Y 101.99(15) . .
O59E Cd12 O58A 80.49(17) . .
O24 Cd12 O58A 161.09(15) . .
O22 Cd12 O58A 77.66(15) . .
O2Y Cd12 O58A 93.59(15) . .
O59E Cd12 O38A 93.58(17) . .
O24 Cd12 O38A 81.16(15) . .
O22 Cd12 O38A 76.56(15) . .
O2Y Cd12 O38A 178.36(16) . .
O58A Cd12 O38A 86.88(15) . .
O59A Cd13 O28 156.67(17) . .
O59A Cd13 O25 100.29(17) . .
O28 Cd13 O25 95.26(15) . .
O59A Cd13 O2Y 99.48(18) . .
O28 Cd13 O2Y 96.54(15) . .
O25 Cd13 O2Y 94.39(15) . .
O59A Cd13 O1H 83.73(18) . .
O28 Cd13 O1H 78.49(17) . .
O25 Cd13 O1H 170.59(19) . .
O2Y Cd13 O1H 93.3(2) . .
O59A Cd13 O58C 86.37(18) . .
O28 Cd13 O58C 80.05(15) . .
O25 Cd13 O58C 77.66(15) . .
O2Y Cd13 O58C 170.92(16) . .
O1H Cd13 O58C 94.21(19) . .
O59A Cd13 Cd7 127.68(13) . .
O28 Cd13 Cd7 39.33(11) . .
O25 Cd13 Cd7 132.00(11) . .
O2Y Cd13 Cd7 80.56(11) . .
O1H Cd13 Cd7 44.43(12) . .
O58C Cd13 Cd7 101.42(11) . .
O39C Cd14 O25 113.0(2) . .
O39C Cd14 O22 154.81(19) . .
O25 Cd14 O22 87.06(15) . .
O39C Cd14 O2Z 90.45(19) . .
O25 Cd14 O2Z 95.10(15) . .
O22 Cd14 O2Z 103.30(16) . .
O39C Cd14 O78A 81.1(2) . .
O25 Cd14 O78A 163.08(15) . .
O22 Cd14 O78A 77.03(15) . .
O2Z Cd14 O78A 94.13(16) . .
O39C Cd14 O58A 89.45(18) . .
O25 Cd14 O58A 83.58(15) . .
O22 Cd14 O58A 77.34(15) . .
O2Z Cd14 O58A 178.52(15) . .
O78A Cd14 O58A 87.32(15) . .
O26 Cd15 O79A 159.36(17) . .
O26 Cd15 O23 92.42(15) . .
O79A Cd15 O23 100.80(17) . .
O26 Cd15 O2Z 92.82(15) . .
O79A Cd15 O2Z 101.82(18) . .
O23 Cd15 O2Z 94.29(16) . .
O26 Cd15 O1G 79.23(17) . .
O79A Cd15 O1G 86.1(2) . .
O23 Cd15 O1G 170.54(18) . .
O2Z Cd15 O1G 90.6(2) . .
O26 Cd15 O78B 79.33(15) . .
O79A Cd15 O78B 88.14(17) . .
O23 Cd15 O78B 77.27(16) . .
O2Z Cd15 O78B 168.09(16) . .
O1G Cd15 O78B 96.6(2) . .
O26 Cd16 O79B 98.46(16) . .
O26 Cd16 O21 95.73(15) . 2_665
O79B Cd16 O21 156.51(17) . 2_665
O26 Cd16 O29 92.01(15) . .
O79B Cd16 O29 109.47(18) . .
O21 Cd16 O29 88.56(16) 2_665 .
O26 Cd16 O79D 172.80(15) . 2_665
O79B Cd16 O79D 88.71(16) . 2_665
O21 Cd16 O79D 77.73(15) 2_665 2_665
O29 Cd16 O79D 84.88(15) . 2_665
O26 Cd16 O38D 91.30(15) . 2_665
O79B Cd16 O38D 84.86(17) . 2_665
O21 Cd16 O38D 76.16(15) 2_665 2_665
O29 Cd16 O38D 164.62(16) . 2_665
O79D Cd16 O38D 90.05(15) 2_665 2_665
O79E Cd17 O27 100.65(16) . .
O79E Cd17 O21 154.82(17) . 4_655
O27 Cd17 O21 95.63(15) . 4_655
O79E Cd17 O30 107.83(18) . .
O27 Cd17 O30 92.13(15) . .
O21 Cd17 O30 90.50(15) 4_655 .
O79E Cd17 O58D 85.71(16) . 4_655
O27 Cd17 O58D 173.64(15) . 4_655
O21 Cd17 O58D 78.39(15) 4_655 4_655
O30 Cd17 O58D 85.81(15) . 4_655
O79E Cd17 O79D 84.90(17) . 4_655
O27 Cd17 O79D 90.93(15) . 4_655
O21 Cd17 O79D 75.70(14) 4_655 4_655
O30 Cd17 O79D 166.09(15) . 4_655
O58D Cd17 O79D 89.68(15) 4_655 4_655
O28 Cd18 O59C 100.79(16) . .
O28 Cd18 O21 94.97(15) . .
O59C Cd18 O21 155.85(17) . .
O28 Cd18 O31 92.66(15) . .
O59C Cd18 O31 108.29(18) . .
O21 Cd18 O31 88.96(16) . .
O28 Cd18 O38D 172.49(15) . .
O59C Cd18 O38D 86.72(16) . .
O21 Cd18 O38D 77.98(15) . .
O31 Cd18 O38D 84.68(15) . .
O28 Cd18 O58D 89.84(15) . .
O59C Cd18 O58D 84.93(17) . .
O21 Cd18 O58D 76.88(15) . .
O31 Cd18 O58D 165.79(15) . .
O38D Cd18 O58D 91.06(16) . .
Cd17 O21 Cd18 105.83(17) 4_655 .
Cd17 O21 Cd16 107.07(17) 4_655 2_665
Cd18 O21 Cd16 106.78(17) . 2_665
Cd12 O22 Cd14 104.28(17) . .
Cd12 O22 Cd10 104.97(17) . .
Cd14 O22 Cd10 104.86(16) . .
Cd12 O22 H22 113.9 . .
Cd14 O22 H22 113.9 . .
Cd10 O22 H22 113.9 . .
Cd4 O23 Cd15 104.85(17) . .
Cd4 O23 Cd10 104.72(17) . .
Cd15 O23 Cd10 121.0(2) . .
Cd6 O24 Cd12 102.84(17) . .
Cd6 O24 Cd11 103.78(17) . .
Cd12 O24 Cd11 123.94(19) . .
Cd8 O25 Cd13 104.47(16) . .
Cd8 O25 Cd14 105.06(17) . .
Cd13 O25 Cd14 121.83(19) . .
Cd9 O26 Cd15 104.42(17) . .
Cd9 O26 Cd16 107.45(16) . .
Cd15 O26 Cd16 119.91(18) . .
Cd11 O27 Cd5 104.57(17) . .
Cd11 O27 Cd17 118.70(19) . .
Cd5 O27 Cd17 107.65(17) . .
Cd13 O28 Cd7 102.11(17) . .
Cd13 O28 Cd18 120.67(18) . .
Cd7 O28 Cd18 109.88(17) . .
Cd4 O29 Cd5 110.74(19) . 3_565
Cd4 O29 Cd16 109.60(19) . .
Cd5 O29 Cd16 111.44(18) 3_565 .
Cd4 O29 H29 108.3 . .
Cd5 O29 H29 108.3 3_565 .
Cd16 O29 H29 108.3 . .
Cd6 O30 Cd7 107.91(18) . 4_655
Cd6 O30 Cd17 112.09(18) . .
Cd7 O30 Cd17 111.81(18) 4_655 .
Cd6 O30 H30 108.3 . .
Cd7 O30 H30 108.3 4_655 .
Cd17 O30 H30 108.3 . .
Cd8 O31 Cd9 111.16(19) . 2_665
Cd8 O31 Cd18 108.80(18) . .
Cd9 O31 Cd18 112.64(18) 2_665 .
Cd8 O31 H31 108.0 . .
Cd9 O31 H31 108.0 2_665 .
Cd18 O31 H31 108.0 . .
O3X N1X O4X 112.5(6) . .
O3X N1X O2X 122.5(6) . .
O4X N1X O2X 124.9(6) . .
N1X O2X Cd11 123.9(4) . .
N1X O2X Cd10 128.5(4) . .
Cd11 O2X Cd10 104.91(17) . .
N1X O3X Cd4 140.4(5) . .
N1X O3X Cd1 95.3(4) . .
Cd4 O3X Cd1 120.6(2) . .
N1X O4X Cd5 138.9(4) . .
N1X O4X Cd1 98.4(4) . .
Cd5 O4X Cd1 119.6(2) . .
O3Y N1Y O4Y 112.6(6) . .
O3Y N1Y O2Y 122.5(5) . .
O4Y N1Y O2Y 124.9(6) . .
N1Y O2Y Cd13 121.2(4) . .
N1Y O2Y Cd12 125.9(4) . .
Cd13 O2Y Cd12 107.90(17) . .
N1Y O3Y Cd6 142.6(5) . .
N1Y O3Y Cd2 95.8(4) . .
Cd6 O3Y Cd2 121.6(2) . .
N1Y O4Y Cd7 142.8(4) . .
N1Y O4Y Cd2 97.6(4) . .
Cd7 O4Y Cd2 119.5(2) . .
O3Z N1Z O4Z 107.5(6) . .
O3Z N1Z O2Z 124.3(6) . .
O4Z N1Z O2Z 128.3(6) . .
N1Z O2Z Cd14 128.7(4) . .
N1Z O2Z Cd15 122.3(4) . .
Cd14 O2Z Cd15 105.88(18) . .
N1Z O3Z Cd8 141.0(5) . .
N1Z O3Z Cd3 98.1(4) . .
Cd8 O3Z Cd3 119.8(2) . .
N1Z O4Z Cd9 140.5(5) . .
N1Z O4Z Cd3 102.8(4) . .
Cd9 O4Z Cd3 116.5(2) . .
C2F O1F Cd11 130.6(5) . .
C2F O1F Cd5 129.6(5) . .
Cd11 O1F Cd5 92.73(17) . .
O1F C2F C4F 102.8(10) . .
O1F C2F C5F 111.1(9) . .
C4F C2F C5F 114.8(11) . .
O1F C2F C3F 111.5(8) . .
C4F C2F C3F 108.9(11) . .
C5F C2F C3F 107.7(10) . .
C2G O1G C4G 43.5(6) . .
C2G O1G Cd15 133.6(5) . .
C4G O1G Cd15 115.8(6) . .
C2G O1G Cd9 129.1(5) . .
C4G O1G Cd9 143.2(6) . .
Cd15 O1G Cd9 92.2(2) . .
C4G C2G O1G 91.6(10) . .
C4G C2G C5G 118.9(12) . .
O1G C2G C5G 113.6(9) . .
C4G C2G C3G 112.3(11) . .
O1G C2G C3G 112.1(9) . .
C5G C2G C3G 107.7(10) . .
C2G C4G O1G 44.9(7) . .
C2H O1H Cd13 132.4(5) . .
C2H O1H Cd7 132.2(5) . .
Cd13 O1H Cd7 91.85(17) . .
C5H C2H O1H 96.1(10) . .
C5H C2H C4H 120.5(12) . .
O1H C2H C4H 112.6(9) . .
C5H C2H C3H 103.9(11) . .
O1H C2H C3H 112.1(8) . .
C4H C2H C3H 110.7(10) . .
C12A C11A C16A 120.0 . .
C12A C11A C21A 129.0 . .
C16A C11A C21A 110.9 . .
C11A C12A C13A 120.0 . .
C11A C12A H12A 120.0 . .
C13A C12A H12A 120.0 . .
C14A C13A C12A 120.0 . .
C14A C13A C41A 125.8(4) . .
C12A C13A C41A 114.2(4) . .
C13A C14A C15A 120.0 . .
C13A C14A H14A 120.0 . .
C15A C14A H14A 120.0 . .
C16A C15A C14A 120.0 . .
C16A C15A C61A 125.7(4) . .
C14A C15A C61A 114.3(4) . .
C15A C16A C11A 120.0 . .
C15A C16A H16A 120.0 . .
C11A C16A H16A 120.0 . .
C26A C21A C22A 115.6(2) . .
C26A C21A C11A 116.4(2) . .
C22A C21A C11A 127.4 . .
C21A C22A C23A 123.5 . .
C21A C22A C31A 120.3(3) . .
C23A C22A C31A 115.9(3) . .
C24A C23A C22A 116.7(2) . .
C24A C23A H23A 121.6 . .
C22A C23A H23A 121.6 . .
C25A C24A C23A 120.8(4) . .
C25A C24A H24A 119.6 . .
C23A C24A H24A 119.6 . .
C26A C25A C24A 121.4(4) . .
C26A C25A H25A 119.3 . .
C24A C25A H25A 119.3 . .
C25A C26A C21A 121.6(4) . .
C25A C26A H26A 119.2 . .
C21A C26A H26A 119.2 . .
C36A C31A C32A 117.5(4) . .
C36A C31A C22A 120.0(5) . .
C32A C31A C22A 122.4(5) . .
C31A C32A C33A 121.1(5) . .
C31A C32A H32A 119.5 . .
C33A C32A H32A 119.5 . .
C34A C33A C32A 120.8(4) . .
C34A C33A H33A 119.6 . .
C32A C33A H33A 119.6 . .
C33A C34A C35A 118.6(4) . .
C33A C34A C37A 120.3(4) . .
C35A C34A C37A 121.1(4) . .
C34A C35A C36A 120.2(5) . .
C34A C35A H35A 119.9 . .
C36A C35A H35A 119.9 . .
C31A C36A C35A 121.6(5) . .
C31A C36A H36A 119.2 . .
C35A C36A H36A 119.2 . .
O39A C37A O38A 124.7(5) . .
O39A C37A C34A 117.4(5) . .
O38A C37A C34A 117.9(5) . .
C37A O38A Cd10 129.4(4) . .
C37A O38A Cd12 120.6(4) . .
Cd10 O38A Cd12 99.71(16) . .
C37A O39A Cd11 118.2(4) . .
C42A C41A C46A 117.6(3) . .
C42A C41A C13A 123.1(4) . .
C46A C41A C13A 119.3(4) . .
C41A C42A C43A 121.7(2) . .
C41A C42A C51A 122.0(5) . .
C43A C42A C51A 116.3(5) . .
C44A C43A C42A 117.8(3) . .
C44A C43A H43A 121.1 . .
C42A C43A H43A 121.1 . .
C45A C44A C43A 120.7(4) . .
C45A C44A H44A 119.7 . .
C43A C44A H44A 119.7 . .
C46A C45A C44A 120.8(4) . .
C46A C45A H45A 119.6 . .
C44A C45A H45A 119.6 . .
C45A C46A C41A 121.2(4) . .
C45A C46A H46A 119.4 . .
C41A C46A H46A 119.4 . .
C56A C51A C52A 118.8(5) . .
C56A C51A C42A 120.5(6) . .
C52A C51A C42A 120.5(6) . .
C53A C52A C51A 120.2(6) . .
C53A C52A H52A 119.9 . .
C51A C52A H52A 119.9 . .
C54A C53A C52A 120.5(6) . .
C54A C53A H53A 119.7 . .
C52A C53A H53A 119.7 . .
C53A C54A C55A 120.0(5) . .
C53A C54A C57A 120.5(5) . .
C55A C54A C57A 119.5(5) . .
C54A C55A C56A 119.1(6) . .
C54A C55A H55A 120.4 . .
C56A C55A H55A 120.4 . .
C51A C56A C55A 121.3(6) . .
C51A C56A H56A 119.3 . .
C55A C56A H56A 119.3 . .
O59A C57A O58A 124.2(5) . .
O59A C57A C54A 117.2(6) . .
O58A C57A C54A 118.6(6) . .
C57A O58A Cd12 128.0(4) . .
C57A O58A Cd14 122.1(4) . .
Cd12 O58A Cd14 99.11(15) . .
C57A O59A Cd13 119.9(4) . .
C62A C61A C66A 117.8(3) . .
C62A C61A C15A 125.2(5) . .
C66A C61A C15A 117.0(5) . .
C61A C62A C63A 121.7(3) . .
C61A C62A C71A 123.0(5) . .
C63A C62A C71A 115.2(5) . .
C64A C63A C62A 117.5(3) . .
C64A C63A H63A 121.2 . .
C62A C63A H63A 121.2 . .
C65A C64A C63A 120.9(4) . .
C65A C64A H64A 119.5 . .
C63A C64A H64A 119.5 . .
C66A C65A C64A 120.8(4) . .
C66A C65A H65A 119.6 . .
C64A C65A H65A 119.6 . .
C65A C66A C61A 121.0(4) . .
C65A C66A H66A 119.5 . .
C61A C66A H66A 119.5 . .
C76A C71A C72A 117.7(6) . .
C76A C71A C62A 121.8(6) . .
C72A C71A C62A 120.0(6) . .
C73A C72A C71A 120.8(6) . .
C73A C72A H72A 119.6 . .
C71A C72A H72A 119.6 . .
C74A C73A C72A 121.0(6) . .
C74A C73A H73A 119.5 . .
C72A C73A H73A 119.5 . .
C73A C74A C75A 119.1(6) . .
C73A C74A C77A 119.5(5) . .
C75A C74A C77A 121.2(6) . .
C74A C75A C76A 119.8(6) . .
C74A C75A H75A 120.1 . .
C76A C75A H75A 120.1 . .
C71A C76A C75A 121.5(6) . .
C71A C76A H76A 119.3 . .
C75A C76A H76A 119.3 . .
O79A C77A O78A 124.1(5) . .
O79A C77A C74A 117.3(6) . .
O78A C77A C74A 118.6(6) . .
C77A O78A Cd14 129.7(4) . .
C77A O78A Cd10 122.1(4) . .
Cd14 O78A Cd10 100.31(15) . .
C77A O79A Cd15 117.2(4) . .
C12B C11B C16B 120.0 . .
C12B C11B C21B 117.8 . .
C16B C11B C21B 122.1 . .
C13B C12B C11B 120.0 . .
C13B C12B H12B 120.0 . .
C11B C12B H12B 120.0 . .
C12B C13B C14B 120.0 . .
C12B C13B C41B 119.5(5) . .
C14B C13B C41B 120.4(5) . .
C15B C14B C13B 120.0 . .
C15B C14B H14B 120.0 . .
C13B C14B H14B 120.0 . .
C14B C15B C16B 120.0 . .
C14B C15B C61B 120.1(5) . .
C16B C15B C61B 119.9(5) . .
C15B C16B C11B 120.0 . .
C15B C16B H16B 120.0 . .
C11B C16B H16B 120.0 . .
C22B C21B C26B 118.8(2) . .
C22B C21B C11B 121.7 . .
C26B C21B C11B 119.5(2) . .
C21B C22B C23B 120.2 . .
C21B C22B C31B 123.3(4) . .
C23B C22B C31B 116.3(4) . .
C24B C23B C22B 119.0(2) . .
C24B C23B H23B 120.5 . .
C22B C23B H23B 120.5 . .
C25B C24B C23B 120.6(4) . .
C25B C24B H24B 119.7 . .
C23B C24B H24B 119.7 . .
C26B C25B C24B 120.2(4) . .
C26B C25B H25B 119.9 . .
C24B C25B H25B 119.9 . .
C25B C26B C21B 120.8(4) . .
C25B C26B H26B 119.6 . .
C21B C26B H26B 119.6 . .
C36B C31B C32B 119.1(6) . .
C36B C31B C22B 122.4(5) . .
C32B C31B C22B 118.1(5) . .
C33B C32B C31B 119.1(6) . .
C33B C32B H32B 120.5 . .
C31B C32B H32B 120.5 . .
C34B C33B C32B 122.4(6) . .
C34B C33B H33B 118.8 . .
C32B C33B H33B 118.8 . .
C33B C34B C35B 117.8(6) . .
C33B C34B C37B 121.0(5) . .
C35B C34B C37B 121.2(5) . .
C36B C35B C34B 120.6(6) . .
C36B C35B H35B 119.7 . .
C34B C35B H35B 119.7 . .
C31B C36B C35B 121.0(6) . .
C31B C36B H36B 119.5 . .
C35B C36B H36B 119.5 . .
O39B C37B O38B 122.7(6) . .
O39B C37B C34B 119.4(6) . .
O38B C37B C34B 117.9(6) . .
C37B O38B Cd4 138.3(5) . .
C37B O38B Cd5 119.3(5) . 3_565
Cd4 O38B Cd5 100.76(16) . 3_565
C37B O39B Cd1 114.8(4) . .
C42B C41B C46B 117.8(3) . .
C42B C41B C13B 122.7(5) . .
C46B C41B C13B 119.4(6) . .
C41B C42B C43B 121.9(3) . .
C41B C42B C51B 122.7(6) . .
C43B C42B C51B 115.1(6) . .
C44B C43B C42B 117.5(3) . .
C44B C43B H43B 121.2 . .
C42B C43B H43B 121.2 . .
C45B C44B C43B 120.9(4) . .
C45B C44B H44B 119.5 . .
C43B C44B H44B 119.5 . .
C46B C45B C44B 120.8(4) . .
C46B C45B H45B 119.6 . .
C44B C45B H45B 119.6 . .
C45B C46B C41B 121.0(4) . .
C45B C46B H46B 119.5 . .
C41B C46B H46B 119.5 . .
C56B C51B C52B 117.9(6) . .
C56B C51B C42B 122.8(6) . .
C52B C51B C42B 119.3(6) . .
C51B C52B C53B 119.4(7) . .
C51B C52B H52B 120.3 . .
C53B C52B H52B 120.3 . .
C54B C53B C52B 122.7(7) . .
C54B C53B H53B 118.7 . .
C52B C53B H53B 118.7 . .
C53B C54B C55B 117.9(6) . .
C53B C54B C57B 119.6(7) . .
C55B C54B C57B 122.4(7) . .
C54B C55B C56B 119.5(7) . .
C54B C55B H55B 120.3 . .
C56B C55B H55B 120.3 . .
C51B C56B C55B 122.3(7) . .
C51B C56B H56B 118.8 . .
C55B C56B H56B 118.8 . .
O59B C57B O58B 124.1(7) . .
O59B C57B C54B 119.8(8) . .
O58B C57B C54B 116.0(8) . .
C57B O58B Cd4 155.8(6) . .
C57B O59B Cd10 114.1(5) . .
C62B C61B C66B 117.5(3) . .
C62B C61B C15B 122.3(5) . .
C66B C61B C15B 119.9(5) . .
C61B C62B C63B 121.8(3) . .
C61B C62B C71B 123.1(6) . .
C63B C62B C71B 114.4(6) . .
C64B C63B C62B 117.7(3) . .
C64B C63B H63B 121.2 . .
C62B C63B H63B 121.2 . .
C65B C64B C63B 120.7(4) . .
C65B C64B H64B 119.7 . .
C63B C64B H64B 119.7 . .
C66B C65B C64B 120.8(4) . .
C66B C65B H65B 119.6 . .
C64B C65B H65B 119.6 . .
C65B C66B C61B 121.2(4) . .
C65B C66B H66B 119.4 . .
C61B C66B H66B 119.4 . .
C76B C71B C72B 117.8(6) . .
C76B C71B C62B 126.4(7) . .
C72B C71B C62B 115.8(7) . .
C73B C72B C71B 120.3(7) . .
C73B C72B H72B 119.8 . .
C71B C72B H72B 119.8 . .
C74B C73B C72B 120.9(7) . .
C74B C73B H73B 119.5 . .
C72B C73B H73B 119.5 . .
C73B C74B C75B 119.3(6) . .
C73B C74B C77B 119.1(6) . .
C75B C74B C77B 121.5(6) . .
C74B C75B C76B 119.2(7) . .
C74B C75B H75B 120.4 . .
C76B C75B H75B 120.4 . .
C71B C76B C75B 121.8(7) . .
C71B C76B H76B 119.1 . .
C75B C76B H76B 119.1 . .
O79B C77B O78B 124.5(5) . .
O79B C77B C74B 119.7(6) . .
O78B C77B C74B 115.8(6) . .
C77B O78B Cd4 143.1(4) . .
C77B O78B Cd15 118.9(4) . .
Cd4 O78B Cd15 94.97(16) . .
C77B O79B Cd16 110.3(4) . .
C12C C11C C16C 120.0 . .
C12C C11C C21C 109.1(13) . .
C16C C11C C21C 130.7(13) . .
C12C C11C C21' 128.8(12) . .
C16C C11C C21' 111.1(12) . .
C21C C11C C21' 20.5(16) . .
C13C C12C C11C 120.0 . .
C13C C12C H12C 120.0 . .
C11C C12C H12C 120.0 . .
C12C C13C C14C 120.0 . .
C12C C13C C41C 121.2(8) . .
C14C C13C C41C 118.7(8) . .
C15C C14C C13C 120.0 . .
C15C C14C H14C 120.0 . .
C13C C14C H14C 120.0 . .
C16C C15C C14C 120.0 . .
C16C C15C C61C 120.3(9) . .
C14C C15C C61C 119.6(9) . .
C15C C16C C11C 120.0 . .
C15C C16C H16C 120.0 . .
C11C C16C H16C 120.0 . .
C22C C21C C26C 120.0 . .
C22C C21C C11C 124.9(14) . .
C26C C21C C11C 114.8(14) . .
C23C C22C C21C 120.0 . .
C23C C22C C31C 120.0(14) . .
C21C C22C C31C 119.6(14) . .
C22C C23C C24C 120.0 . .
C22C C23C H23C 120.0 . .
C24C C23C H23C 120.0 . .
C25C C24C C23C 120.0 . .
C25C C24C H24C 120.0 . .
C23C C24C H24C 120.0 . .
C24C C25C C26C 120.0 . .
C24C C25C H25C 120.0 . .
C26C C25C H25C 120.0 . .
C25C C26C C21C 120.0 . .
C25C C26C H26C 120.0 . .
C21C C26C H26C 120.0 . .
C22' C21' C26' 120.0 . .
C22' C21' C11C 120.4(13) . .
C26' C21' C11C 119.1(13) . .
C21' C22' C23' 120.0 . .
C21' C22' C31C 123.3(14) . .
C23' C22' C31C 116.6(13) . .
C22' C23' C24' 120.0 . .
C22' C23' H23' 120.0 . .
C24' C23' H23' 120.0 . .
C25' C24' C23' 120.0 . .
C25' C24' H24' 120.0 . .
C23' C24' H24' 120.0 . .
C24' C25' C26' 120.0 . .
C24' C25' H25' 120.0 . .
C26' C25' H25' 120.0 . .
C25' C26' C21' 120.0 . .
C25' C26' H26' 120.0 . .
C21' C26' H26' 120.0 . .
C36C C31C C32C 117.5(5) . .
C36C C31C C22' 127.8(10) . .
C32C C31C C22' 113.3(11) . .
C36C C31C C22C 115.0(11) . .
C32C C31C C22C 127.5(11) . .
C22' C31C C22C 18.2(17) . .
C31C C32C C33C 121.0(5) . .
C31C C32C H32C 119.5 . .
C33C C32C H32C 119.5 . .
C34C C33C C32C 120.9(5) . .
C34C C33C H33C 119.5 . .
C32C C33C H33C 119.5 . .
C33C C34C C35C 118.6(4) . .
C33C C34C C37C 120.0(4) . .
C35C C34C C37C 121.3(4) . .
C34C C35C C36C 120.0(5) . .
C34C C35C H35C 120.0 . .
C36C C35C H35C 120.0 . .
C31C C36C C35C 121.9(5) . .
C31C C36C H36C 119.1 . .
C35C C36C H36C 119.1 . .
O39C C37C O38C 124.5(6) . .
O39C C37C C34C 119.8(6) . .
O38C C37C C34C 115.5(6) . .
C37C O38C Cd8 154.1(6) . .
C37C O39C Cd14 116.9(5) . .
C42C C41C C46C 117.8(3) . .
C42C C41C C13C 122.2(6) . .
C46C C41C C13C 120.0(7) . .
C41C C42C C43C 121.7(3) . .
C41C C42C C51C 123.6(7) . .
C43C C42C C51C 114.3(7) . .
C44C C43C C42C 117.5(3) . .
C44C C43C H43C 121.2 . .
C42C C43C H43C 121.2 . .
C45C C44C C43C 120.8(4) . .
C45C C44C H44C 119.6 . .
C43C C44C H44C 119.6 . .
C46C C45C C44C 120.8(4) . .
C46C C45C H45C 119.6 . .
C44C C45C H45C 119.6 . .
C45C C46C C41C 120.9(4) . .
C45C C46C H46C 119.5 . .
C41C C46C H46C 119.5 . .
C56C C51C C52C 118.7(6) . .
C56C C51C C42C 123.0(7) . .
C52C C51C C42C 118.3(7) . .
C53C C52C C51C 120.3(6) . .
C53C C52C H52C 119.8 . .
C51C C52C H52C 119.8 . .
C54C C53C C52C 120.2(6) . .
C54C C53C H53C 119.9 . .
C52C C53C H53C 119.9 . .
C53C C54C C55C 120.4(6) . .
C53C C54C C57C 118.8(5) . .
C55C C54C C57C 120.7(6) . .
C54C C55C C56C 118.7(7) . .
C54C C55C H55C 120.6 . .
C56C C55C H55C 120.6 . .
C51C C56C C55C 121.3(7) . .
C51C C56C H56C 119.3 . .
C55C C56C H56C 119.3 . .
O59C C57C O58C 124.0(5) . .
O59C C57C C54C 118.1(6) . .
O58C C57C C54C 117.9(6) . .
C57C O58C Cd8 136.1(5) . .
C57C O58C Cd13 126.2(4) . .
Cd8 O58C Cd13 93.91(15) . .
C57C O59C Cd18 110.9(4) . .
C62C C61C C66C 117.6(3) . .
C62C C61C C15C 122.7(7) . .
C66C C61C C15C 119.4(7) . .
C61C C62C C63C 122.0(3) . .
C61C C62C C71C 122.6(7) . .
C63C C62C C71C 115.2(7) . .
C64C C63C C62C 117.5(3) . .
C64C C63C H63C 121.3 . .
C62C C63C H63C 121.3 . .
C65C C64C C63C 120.9(4) . .
C65C C64C H64C 119.6 . .
C63C C64C H64C 119.6 . .
C66C C65C C64C 120.9(4) . .
C66C C65C H65C 119.6 . .
C64C C65C H65C 119.6 . .
C65C C66C C61C 121.0(4) . .
C65C C66C H66C 119.5 . .
C61C C66C H66C 119.5 . .
C76C C71C C72C 120.3(7) . .
C76C C71C C62C 120.2(7) . .
C72C C71C C62C 119.1(8) . .
C73C C72C C71C 119.6(8) . .
C73C C72C H72C 120.2 . .
C71C C72C H72C 120.2 . .
C74C C73C C72C 120.8(8) . .
C74C C73C H73C 119.6 . .
C72C C73C H73C 119.6 . .
C73C C74C C75C 119.4(7) . .
C73C C74C C77C 120.9(7) . .
C75C C74C C77C 119.4(6) . .
C76C C75C C74C 120.3(8) . .
C76C C75C H75C 119.8 . .
C74C C75C H75C 119.8 . .
C71C C76C C75C 119.5(7) . .
C71C C76C H76C 120.2 . .
C75C C76C H76C 120.2 . .
O78C C77C O79C 120.7(7) . .
O78C C77C C74C 121.9(8) . .
O79C C77C C74C 117.2(7) . .
C77C O78C Cd8 136.3(6) . .
C77C O78C Cd9 119.7(6) . 2_665
Cd8 O78C Cd9 101.5(2) . 2_665
C77C O79C Cd3 117.1(5) . .
C12D C11D C16D 120.0 . .
C12D C11D C21D 123.2 . .
C16D C11D C21D 116.8 . .
C13D C12D C11D 120.0 . .
C13D C12D H12D 120.0 . .
C11D C12D H12D 120.0 . .
C12D C13D C14D 120.0 . .
C12D C13D C41D 120.6(4) . .
C14D C13D C41D 119.4(4) . .
C15D C14D C13D 120.0 . .
C15D C14D H14D 120.0 . .
C13D C14D H14D 120.0 . .
C14D C15D C16D 120.0 . .
C14D C15D C61D 119.1(4) . .
C16D C15D C61D 120.7(4) . .
C15D C16D C11D 120.0 . .
C15D C16D H16D 120.0 . .
C11D C16D H16D 120.0 . .
C22D C21D C26D 117.9(2) . .
C22D C21D C11D 123.6 . .
C26D C21D C11D 118.4(2) . .
C21D C22D C23D 122.2 . .
C21D C22D C31D 121.2(3) . .
C23D C22D C31D 116.3(3) . .
C24D C23D C22D 117.6(2) . .
C24D C23D H23D 121.2 . .
C22D C23D H23D 121.2 . .
C25D C24D C23D 120.6(4) . .
C25D C24D H24D 119.7 . .
C23D C24D H24D 119.7 . .
C26D C25D C24D 120.7(4) . .
C26D C25D H25D 119.6 . .
C24D C25D H25D 119.6 . .
C25D C26D C21D 120.8(4) . .
C25D C26D H26D 119.6 . .
C21D C26D H26D 119.6 . .
C36D C31D C32D 119.7(5) . .
C36D C31D C22D 120.0(5) . .
C32D C31D C22D 120.0(5) . .
C33D C32D C31D 119.9(6) . .
C33D C32D H32D 120.0 . .
C31D C32D H32D 120.0 . .
C34D C33D C32D 119.7(6) . .
C34D C33D H33D 120.2 . .
C32D C33D H33D 120.2 . .
C33D C34D C35D 121.3(5) . .
C33D C34D C37D 119.3(5) . .
C35D C34D C37D 119.2(5) . .
C34D C35D C36D 118.9(6) . .
C34D C35D H35D 120.6 . .
C36D C35D H35D 120.6 . .
C31D C36D C35D 120.5(6) . .
C31D C36D H36D 119.8 . .
C35D C36D H36D 119.8 . .
O39D C37D O38D 123.0(5) . .
O39D C37D C34D 117.7(6) . .
O38D C37D C34D 119.3(6) . .
C37D O38D Cd18 123.5(4) . .
C37D O38D Cd16 132.2(4) . 2_665
Cd18 O38D Cd16 97.73(15) . 2_665
C37D O39D Cd9 112.2(4) . 2_665
C42D C41D C46D 117.5(3) . .
C42D C41D C13D 123.4(4) . .
C46D C41D C13D 119.1(5) . .
C41D C42D C43D 121.8(3) . .
C41D C42D C51D 121.3(5) . .
C43D C42D C51D 116.7(5) . .
C44D C43D C42D 117.5(3) . .
C44D C43D H43D 121.2 . .
C42D C43D H43D 121.2 . .
C45D C44D C43D 120.8(4) . .
C45D C44D H44D 119.6 . .
C43D C44D H44D 119.6 . .
C46D C45D C44D 120.8(4) . .
C46D C45D H45D 119.6 . .
C44D C45D H45D 119.6 . .
C45D C46D C41D 121.2(4) . .
C45D C46D H46D 119.4 . .
C41D C46D H46D 119.4 . .
C56D C51D C52D 119.3(6) . .
C56D C51D C42D 121.0(6) . .
C52D C51D C42D 119.1(6) . .
C53D C52D C51D 119.3(6) . .
C53D C52D H52D 120.4 . .
C51D C52D H52D 120.4 . .
C54D C53D C52D 121.4(6) . .
C54D C53D H53D 119.3 . .
C52D C53D H53D 119.3 . .
C53D C54D C55D 119.7(6) . .
C53D C54D C57D 119.3(5) . .
C55D C54D C57D 120.6(5) . .
C54D C55D C56D 119.5(6) . .
C54D C55D H55D 120.2 . .
C56D C55D H55D 120.2 . .
C51D C56D C55D 120.7(6) . .
C51D C56D H56D 119.6 . .
C55D C56D H56D 119.6 . .
O58D C57D O59D 123.3(5) . .
O58D C57D C54D 118.9(6) . .
O59D C57D C54D 117.7(6) . .
C57D O58D Cd17 122.2(4) . 4_655
C57D O58D Cd18 134.5(4) . .
Cd17 O58D Cd18 97.14(15) 4_655 .
C57D O59D Cd7 113.5(4) . .
C62D C61D C66D 117.7(3) . .
C62D C61D C15D 122.1(4) . .
C66D C61D C15D 120.1(5) . .
C61D C62D C63D 121.8(2) . .
C61D C62D C71D 121.2(5) . .
C63D C62D C71D 117.0(5) . .
C64D C63D C62D 117.6(3) . .
C64D C63D H63D 121.2 . .
C62D C63D H63D 121.2 . .
C65D C64D C63D 120.8(4) . .
C65D C64D H64D 119.6 . .
C63D C64D H64D 119.6 . .
C66D C65D C64D 120.8(4) . .
C66D C65D H65D 119.6 . .
C64D C65D H65D 119.6 . .
C65D C66D C61D 121.1(4) . .
C65D C66D H66D 119.5 . .
C61D C66D H66D 119.5 . .
C76D C71D C72D 119.2(5) . .
C76D C71D C62D 120.8(5) . .
C72D C71D C62D 119.6(5) . .
C73D C72D C71D 119.9(6) . .
C73D C72D H72D 120.1 . .
C71D C72D H72D 120.1 . .
C74D C73D C72D 121.0(6) . .
C74D C73D H73D 119.5 . .
C72D C73D H73D 119.5 . .
C73D C74D C75D 119.4(5) . .
C73D C74D C77D 121.0(5) . .
C75D C74D C77D 119.4(5) . .
C74D C75D C76D 120.0(6) . .
C74D C75D H75D 120.0 . .
C76D C75D H75D 120.0 . .
C71D C76D C75D 120.5(6) . .
C71D C76D H76D 119.7 . .
C75D C76D H76D 119.7 . .
O78D C77D O79D 124.0(5) . .
O78D C77D C74D 118.0(6) . .
O79D C77D C74D 117.9(6) . .
C77D O78D Cd5 111.3(4) . 4_655
C77D O79D Cd16 121.6(4) . 2_665
C77D O79D Cd17 134.0(4) . 4_655
Cd16 O79D Cd17 97.81(15) 2_665 4_655
C12E C11E C16E 120.0 . .
C12E C11E C21E 117.7 . .
C16E C11E C21E 122.2 . .
C13E C12E C11E 120.0 . .
C13E C12E H12E 120.0 . .
C11E C12E H12E 120.0 . .
C12E C13E C14E 120.0 . .
C12E C13E C41$ 132.0(13) . .
C14E C13E C41$ 107.9(13) . .
C12E C13E C41E 112.5(10) . .
C14E C13E C41E 127.5(10) . .
C41$ C13E C41E 19.9(18) . .
C15E C14E C13E 120.0 . .
C15E C14E H14E 120.0 . .
C13E C14E H14E 120.0 . .
C14E C15E C16E 120.0 . .
C14E C15E C61E 122.4(5) . .
C16E C15E C61E 117.2(6) . .
C15E C16E C11E 120.0 . .
C15E C16E H16E 120.0 . .
C11E C16E H16E 120.0 . .
C22E C21E C26E 117.3(2) . .
C22E C21E C11E 124.2 . .
C26E C21E C11E 118.5(2) . .
C21E C22E C23E 123.1 . .
C21E C22E C31E 120.7(4) . .
C23E C22E C31E 116.1(4) . .
C24E C23E C22E 115.3(2) . .
C24E C23E H23E 122.4 . .
C22E C23E H23E 122.4 . .
C25E C24E C23E 121.7(4) . .
C25E C24E H24E 119.2 . .
C23E C24E H24E 119.2 . .
C26E C25E C24E 121.5(4) . .
C26E C25E H25E 119.3 . .
C24E C25E H25E 119.3 . .
C25E C26E C21E 120.8(4) . .
C25E C26E H26E 119.6 . .
C21E C26E H26E 119.6 . .
C36E C31E C32E 119.5(6) . .
C36E C31E C22E 120.1(6) . .
C32E C31E C22E 119.9(6) . .
C33E C32E C31E 118.9(7) . .
C33E C32E H32E 120.6 . .
C31E C32E H32E 120.6 . .
C34E C33E C32E 122.3(7) . .
C34E C33E H33E 118.8 . .
C32E C33E H33E 118.8 . .
C33E C34E C35E 118.4(6) . .
C33E C34E C37E 121.2(6) . .
C35E C34E C37E 120.4(6) . .
C34E C35E C36E 119.9(7) . .
C34E C35E H35E 120.0 . .
C36E C35E H35E 120.0 . .
C31E C36E C35E 120.9(7) . .
C31E C36E H36E 119.5 . .
C35E C36E H36E 119.5 . .
O39E C37E O38E 122.8(6) . .
O39E C37E C34E 119.6(6) . .
O38E C37E C34E 117.6(6) . .
C37E O38E Cd6 136.9(5) . .
C37E O38E Cd7 121.4(5) . 4_655
Cd6 O38E Cd7 99.28(17) . 4_655
C37E O39E Cd2 117.9(4) . .
C42E C41E C46E 120.0 . .
C42E C41E C13E 121.0(13) . .
C46E C41E C13E 118.9(13) . .
C43E C42E C41E 120.0 . .
C43E C42E C51E 113.7(13) . .
C41E C42E C51E 126.2(13) . .
C42E C43E C44E 120.0 . .
C42E C43E H43E 120.0 . .
C44E C43E H43E 120.0 . .
C45E C44E C43E 120.0 . .
C45E C44E H44E 120.0 . .
C43E C44E H44E 120.0 . .
C46E C45E C44E 120.0 . .
C46E C45E H45E 120.0 . .
C44E C45E H45E 120.0 . .
C45E C46E C41E 120.0 . .
C45E C46E H46E 120.0 . .
C41E C46E H46E 120.0 . .
C42$ C41$ C46$ 120.0 . .
C42$ C41$ C13E 125.7(15) . .
C46$ C41$ C13E 114.0(15) . .
C41$ C42$ C43$ 120.0 . .
C41$ C42$ C51E 121.4(16) . .
C43$ C42$ C51E 118.3(15) . .
C44$ C43$ C42$ 120.0 . .
C44$ C43$ H43$ 120.0 . .
C42$ C43$ H43$ 120.0 . .
C43$ C44$ C45$ 120.0 . .
C43$ C44$ H44$ 120.0 . .
C45$ C44$ H44$ 120.0 . .
C46$ C45$ C44$ 120.0 . .
C46$ C45$ H45$ 120.0 . .
C44$ C45$ H45$ 120.0 . .
C45$ C46$ C41$ 120.0 . .
C45$ C46$ H46$ 120.0 . .
C41$ C46$ H46$ 120.0 . .
C56E C51E C52E 117.4(5) . .
C56E C51E C42E 125.4(10) . .
C52E C51E C42E 117.1(10) . .
C56E C51E C42$ 117.2(11) . .
C52E C51E C42$ 125.1(11) . .
C42E C51E C42$ 12(2) . .
C51E C52E C53E 121.1(5) . .
C51E C52E H52E 119.5 . .
C53E C52E H52E 119.5 . .
C54E C53E C52E 120.9(5) . .
C54E C53E H53E 119.6 . .
C52E C53E H53E 119.6 . .
C53E C54E C55E 118.6(4) . .
C53E C54E C57E 120.0(4) . .
C55E C54E C57E 121.4(4) . .
C54E C55E C56E 120.0(5) . .
C54E C55E H55E 120.0 . .
C56E C55E H55E 120.0 . .
C51E C56E C55E 121.9(5) . .
C51E C56E H56E 119.1 . .
C55E C56E H56E 119.1 . .
O59E C57E O58E 124.4(5) . .
O59E C57E C54E 119.7(6) . .
O58E C57E C54E 115.8(6) . .
C57E O58E Cd6 143.3(6) . .
C57E O59E Cd12 113.6(4) . .
C62E C61E C66E 117.6(3) . .
C62E C61E C15E 121.6(6) . .
C66E C61E C15E 120.8(7) . .
C61E C62E C63E 121.9(3) . .
C61E C62E C71E 121.3(7) . .
C63E C62E C71E 116.4(7) . .
C64E C63E C62E 117.6(3) . .
C64E C63E H63E 121.2 . .
C62E C63E H63E 121.2 . .
C65E C64E C63E 120.8(4) . .
C65E C64E H64E 119.6 . .
C63E C64E H64E 119.6 . .
C66E C65E C64E 120.9(4) . .
C66E C65E H65E 119.6 . .
C64E C65E H65E 119.6 . .
C65E C66E C61E 121.1(4) . .
C65E C66E H66E 119.4 . .
C61E C66E H66E 119.4 . .
C76E C71E C72E 117.7(6) . .
C76E C71E C62E 122.9(7) . .
C72E C71E C62E 119.2(7) . .
C73E C72E C71E 120.0(7) . .
C73E C72E H72E 120.0 . .
C71E C72E H72E 120.0 . .
C74E C73E C72E 121.1(7) . .
C74E C73E H73E 119.4 . .
C72E C73E H73E 119.4 . .
C73E C74E C75E 119.9(6) . .
C73E C74E C77E 119.7(6) . .
C75E C74E C77E 120.4(6) . .
C74E C75E C76E 118.3(7) . .
C74E C75E H75E 120.9 . .
C76E C75E H75E 120.9 . .
C71E C76E C75E 122.6(7) . .
C71E C76E H76E 118.7 . .
C75E C76E H76E 118.7 . .
O79E C77E O78E 124.4(5) . .
O79E C77E C74E 119.5(6) . .
O78E C77E C74E 116.1(6) . .
C77E O78E Cd6 139.5(5) . .
C77E O78E Cd11 122.9(4) . .
Cd6 O78E Cd11 93.87(16) . .
C77E O79E Cd17 111.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O39B 2.270(5) .
Cd1 O39B 2.270(5) 3_565
Cd1 O4X 2.288(5) .
Cd1 O4X 2.288(5) 3_565
Cd1 O3X 2.357(6) .
Cd1 O3X 2.357(6) 3_565
Cd2 O39E 2.258(5) 4_655
Cd2 O39E 2.258(5) .
Cd2 O4Y 2.303(5) .
Cd2 O4Y 2.303(5) 4_655
Cd2 O3Y 2.340(5) .
Cd2 O3Y 2.340(5) 4_655
Cd3 O79C 2.227(6) 2_665
Cd3 O79C 2.227(6) .
Cd3 O4Z 2.261(6) .
Cd3 O4Z 2.261(6) 2_665
Cd3 O3Z 2.361(6) .
Cd3 O3Z 2.361(6) 2_665
Cd4 O29 2.202(5) .
Cd4 O3X 2.212(6) .
Cd4 O23 2.228(4) .
Cd4 O58B 2.238(7) .
Cd4 O78B 2.315(5) .
Cd4 O38B 2.364(5) .
Cd5 O27 2.220(4) .
Cd5 O78D 2.234(4) 4_655
Cd5 O4X 2.238(5) .
Cd5 O29 2.279(4) 3_565
Cd5 O38B 2.423(5) 3_565
Cd5 O1F 2.494(5) .
Cd6 O30 2.209(4) .
Cd6 O58E 2.230(6) .
Cd6 O24 2.234(4) .
Cd6 O3Y 2.259(5) .
Cd6 O78E 2.355(5) .
Cd6 O38E 2.357(5) .
Cd7 O59D 2.230(5) .
Cd7 O28 2.230(4) .
Cd7 O30 2.268(4) 4_655
Cd7 O4Y 2.269(5) .
Cd7 O38E 2.393(5) 4_655
Cd7 O1H 2.409(5) .
Cd7 Cd13 3.4398(7) .
Cd8 O38C 2.195(7) .
Cd8 O3Z 2.214(6) .
Cd8 O25 2.228(4) .
Cd8 O31 2.235(5) .
Cd8 O58C 2.319(5) .
Cd8 O78C 2.392(6) .
Cd9 O4Z 2.204(6) .
Cd9 O26 2.216(4) .
Cd9 O39D 2.217(5) 2_665
Cd9 O31 2.271(4) 2_665
Cd9 O78C 2.409(6) 2_665
Cd9 O1G 2.531(6) .
Cd10 O59B 2.235(5) .
Cd10 O23 2.266(4) .
Cd10 O22 2.311(4) .
Cd10 O2X 2.351(4) .
Cd10 O38A 2.376(5) .
Cd10 O78A 2.405(4) .
Cd11 O27 2.210(4) .
Cd11 O39A 2.217(5) .
Cd11 O24 2.262(4) .
Cd11 O2X 2.329(4) .
Cd11 O1F 2.346(5) .
Cd11 O78E 2.486(5) .
Cd12 O59E 2.249(5) .
Cd12 O24 2.257(4) .
Cd12 O22 2.301(4) .
Cd12 O2Y 2.324(4) .
Cd12 O58A 2.387(4) .
Cd12 O38A 2.409(4) .
Cd13 O59A 2.183(5) .
Cd13 O28 2.193(4) .
Cd13 O25 2.245(4) .
Cd13 O2Y 2.311(4) .
Cd13 O1H 2.379(5) .
Cd13 O58C 2.516(5) .
Cd14 O39C 2.207(5) .
Cd14 O25 2.247(4) .
Cd14 O22 2.309(4) .
Cd14 O2Z 2.322(5) .
Cd14 O78A 2.364(4) .
Cd14 O58A 2.395(4) .
Cd15 O26 2.219(4) .
Cd15 O79A 2.230(5) .
Cd15 O23 2.253(4) .
Cd15 O2Z 2.325(4) .
Cd15 O1G 2.328(5) .
Cd15 O78B 2.500(5) .
Cd16 O26 2.243(4) .
Cd16 O79B 2.260(5) .
Cd16 O21 2.270(4) 2_665
Cd16 O29 2.344(4) .
Cd16 O79D 2.355(4) 2_665
Cd16 O38D 2.447(4) 2_665
Cd17 O79E 2.231(5) .
Cd17 O27 2.236(4) .
Cd17 O21 2.253(4) 4_655
Cd17 O30 2.336(4) .
Cd17 O58D 2.361(4) 4_655
Cd17 O79D 2.470(4) 4_655
Cd18 O28 2.243(4) .
Cd18 O59C 2.253(5) .
Cd18 O21 2.253(4) .
Cd18 O31 2.317(4) .
Cd18 O38D 2.374(4) .
Cd18 O58D 2.433(4) .
O21 Cd17 2.253(4) 4_655
O21 Cd16 2.270(4) 2_665
O22 H22 1.0000 .
O29 Cd5 2.279(4) 3_565
O29 H29 1.0000 .
O30 Cd7 2.268(4) 4_655
O30 H30 1.0000 .
O31 Cd9 2.271(4) 2_665
O31 H31 1.0000 .
N1X O3X 1.254(6) .
N1X O4X 1.262(6) .
N1X O2X 1.296(7) .
N1Y O3Y 1.262(6) .
N1Y O4Y 1.262(6) .
N1Y O2Y 1.281(7) .
N1Z O3Z 1.236(6) .
N1Z O4Z 1.250(6) .
N1Z O2Z 1.250(7) .
O1F C2F 1.321(9) .
C2F C4F 1.346(17) .
C2F C5F 1.562(17) .
C2F C3F 1.639(18) .
O1G C2G 1.315(9) .
O1G C4G 1.863(18) .
C2G C4G 1.283(18) .
C2G C5G 1.501(18) .
C2G C3G 1.557(18) .
O1H C2H 1.332(9) .
C2H C5H 1.288(17) .
C2H C4H 1.496(18) .
C2H C3H 1.630(18) .
C11A C12A 1.3900 .
C11A C16A 1.3900 .
C11A C21A 1.4289 .
C12A C13A 1.3900 .
C12A H12A 0.9500 .
C13A C14A 1.3900 .
C13A C41A 1.504(6) .
C14A C15A 1.3900 .
C14A H14A 0.9500 .
C15A C16A 1.3900 .
C15A C61A 1.519(7) .
C16A H16A 0.9500 .
C21A C26A 1.410(3) .
C21A C22A 1.4150 .
C22A C23A 1.4160 .
C22A C31A 1.506(4) .
C23A C24A 1.400(4) .
C23A H23A 0.9500 .
C24A C25A 1.383(5) .
C24A H24A 0.9500 .
C25A C26A 1.367(4) .
C25A H25A 0.9500 .
C26A H26A 0.9500 .
C31A C36A 1.376(4) .
C31A C32A 1.388(4) .
C32A C33A 1.391(4) .
C32A H32A 0.9500 .
C33A C34A 1.372(4) .
C33A H33A 0.9500 .
C34A C35A 1.389(4) .
C34A C37A 1.504(4) .
C35A C36A 1.391(4) .
C35A H35A 0.9500 .
C36A H36A 0.9500 .
C37A O39A 1.247(7) .
C37A O38A 1.262(7) .
C41A C42A 1.3974(9) .
C41A C46A 1.410(3) .
C42A C43A 1.4178(9) .
C42A C51A 1.509(4) .
C43A C44A 1.399(4) .
C43A H43A 0.9500 .
C44A C45A 1.383(5) .
C44A H44A 0.9500 .
C45A C46A 1.367(4) .
C45A H45A 0.9500 .
C46A H46A 0.9500 .
C51A C56A 1.380(5) .
C51A C52A 1.398(5) .
C52A C53A 1.386(5) .
C52A H52A 0.9500 .
C53A C54A 1.379(5) .
C53A H53A 0.9500 .
C54A C55A 1.391(5) .
C54A C57A 1.505(4) .
C55A C56A 1.395(5) .
C55A H55A 0.9500 .
C56A H56A 0.9500 .
C57A O59A 1.259(8) .
C57A O58A 1.263(7) .
C61A C62A 1.3974(9) .
C61A C66A 1.410(3) .
C62A C63A 1.4179(9) .
C62A C71A 1.509(5) .
C63A C64A 1.399(4) .
C63A H63A 0.9500 .
C64A C65A 1.383(5) .
C64A H64A 0.9500 .
C65A C66A 1.367(4) .
C65A H65A 0.9500 .
C66A H66A 0.9500 .
C71A C76A 1.385(5) .
C71A C72A 1.397(5) .
C72A C73A 1.386(5) .
C72A H72A 0.9500 .
C73A C74A 1.373(5) .
C73A H73A 0.9500 .
C74A C75A 1.387(5) .
C74A C77A 1.507(5) .
C75A C76A 1.396(5) .
C75A H75A 0.9500 .
C76A H76A 0.9500 .
C77A O79A 1.253(8) .
C77A O78A 1.255(8) .
C11B C12B 1.3900 .
C11B C16B 1.3900 .
C11B C21B 1.5154 .
C12B C13B 1.3900 .
C12B H12B 0.9500 .
C13B C14B 1.3900 .
C13B C41B 1.420(8) .
C14B C15B 1.3900 .
C14B H14B 0.9500 .
C15B C16B 1.3900 .
C15B C61B 1.486(7) .
C16B H16B 0.9500 .
C21B C22B 1.3994 .
C21B C26B 1.409(3) .
C22B C23B 1.3996 .
C22B C31B 1.505(4) .
C23B C24B 1.399(4) .
C23B H23B 0.9500 .
C24B C25B 1.383(5) .
C24B H24B 0.9500 .
C25B C26B 1.367(4) .
C25B H25B 0.9500 .
C26B H26B 0.9500 .
C31B C36B 1.379(5) .
C31B C32B 1.398(5) .
C32B C33B 1.391(5) .
C32B H32B 0.9500 .
C33B C34B 1.380(5) .
C33B H33B 0.9500 .
C34B C35B 1.392(5) .
C34B C37B 1.508(5) .
C35B C36B 1.392(5) .
C35B H35B 0.9500 .
C36B H36B 0.9500 .
C37B O39B 1.255(8) .
C37B O38B 1.260(8) .
O38B Cd5 2.423(5) 3_565
C41B C42B 1.3972(9) .
C41B C46B 1.410(3) .
C42B C43B 1.4177(9) .
C42B C51B 1.505(5) .
C43B C44B 1.399(4) .
C43B H43B 0.9500 .
C44B C45B 1.383(5) .
C44B H44B 0.9500 .
C45B C46B 1.367(4) .
C45B H45B 0.9500 .
C46B H46B 0.9500 .
C51B C56B 1.376(5) .
C51B C52B 1.389(5) .
C52B C53B 1.390(5) .
C52B H52B 0.9500 .
C53B C54B 1.372(5) .
C53B H53B 0.9500 .
C54B C55B 1.388(5) .
C54B C57B 1.508(5) .
C55B C56B 1.393(5) .
C55B H55B 0.9500 .
C56B H56B 0.9500 .
C57B O59B 1.218(10) .
C57B O58B 1.231(10) .
C61B C62B 1.3973(9) .
C61B C66B 1.410(3) .
C62B C63B 1.4179(9) .
C62B C71B 1.506(5) .
C63B C64B 1.399(4) .
C63B H63B 0.9500 .
C64B C65B 1.383(5) .
C64B H64B 0.9500 .
C65B C66B 1.367(4) .
C65B H65B 0.9500 .
C66B H66B 0.9500 .
C71B C76B 1.377(5) .
C71B C72B 1.394(5) .
C72B C73B 1.384(5) .
C72B H72B 0.9500 .
C73B C74B 1.374(5) .
C73B H73B 0.9500 .
C74B C75B 1.386(5) .
C74B C77B 1.506(5) .
C75B C76B 1.395(5) .
C75B H75B 0.9500 .
C76B H76B 0.9500 .
C77B O79B 1.212(8) .
C77B O78B 1.286(8) .
C11C C12C 1.3900 .
C11C C16C 1.3900 .
C11C C21C 1.523(13) .
C11C C21' 1.570(14) .
C12C C13C 1.3900 .
C12C H12C 0.9500 .
C13C C14C 1.3900 .
C13C C41C 1.489(10) .
C14C C15C 1.3900 .
C14C H14C 0.9500 .
C15C C16C 1.3900 .
C15C C61C 1.494(9) .
C16C H16C 0.9500 .
C21C C22C 1.3900 .
C21C C26C 1.3900 .
C22C C23C 1.3900 .
C22C C31C 1.513(13) .
C23C C24C 1.3900 .
C23C H23C 0.9500 .
C24C C25C 1.3900 .
C24C H24C 0.9500 .
C25C C26C 1.3900 .
C25C H25C 0.9500 .
C26C H26C 0.9500 .
C21' C22' 1.3900 .
C21' C26' 1.3900 .
C22' C23' 1.3900 .
C22' C31C 1.487(12) .
C23' C24' 1.3900 .
C23' H23' 0.9500 .
C24' C25' 1.3900 .
C24' H24' 0.9500 .
C25' C26' 1.3900 .
C25' H25' 0.9500 .
C26' H26' 0.9500 .
C31C C36C 1.376(5) .
C31C C32C 1.388(4) .
C32C C33C 1.391(4) .
C32C H32C 0.9500 .
C33C C34C 1.372(4) .
C33C H33C 0.9500 .
C34C C35C 1.389(4) .
C34C C37C 1.504(4) .
C35C C36C 1.391(4) .
C35C H35C 0.9500 .
C36C H36C 0.9500 .
C37C O39C 1.229(8) .
C37C O38C 1.230(9) .
C41C C42C 1.3973(9) .
C41C C46C 1.410(3) .
C42C C43C 1.4179(9) .
C42C C51C 1.511(5) .
C43C C44C 1.399(4) .
C43C H43C 0.9500 .
C44C C45C 1.383(5) .
C44C H44C 0.9500 .
C45C C46C 1.367(4) .
C45C H45C 0.9500 .
C46C H46C 0.9500 .
C51C C56C 1.378(5) .
C51C C52C 1.392(5) .
C52C C53C 1.381(5) .
C52C H52C 0.9500 .
C53C C54C 1.376(5) .
C53C H53C 0.9500 .
C54C C55C 1.386(5) .
C54C C57C 1.504(5) .
C55C C56C 1.396(5) .
C55C H55C 0.9500 .
C56C H56C 0.9500 .
C57C O59C 1.239(8) .
C57C O58C 1.282(8) .
C61C C62C 1.3973(9) .
C61C C66C 1.410(3) .
C62C C63C 1.4179(9) .
C62C C71C 1.504(5) .
C63C C64C 1.399(4) .
C63C H63C 0.9500 .
C64C C65C 1.383(5) .
C64C H64C 0.9500 .
C65C C66C 1.367(4) .
C65C H65C 0.9500 .
C66C H66C 0.9500 .
C71C C76C 1.378(5) .
C71C C72C 1.394(5) .
C72C C73C 1.383(5) .
C72C H72C 0.9500 .
C73C C74C 1.376(5) .
C73C H73C 0.9500 .
C74C C75C 1.394(5) .
C74C C77C 1.514(5) .
C75C C76C 1.394(5) .
C75C H75C 0.9500 .
C76C H76C 0.9500 .
C77C O78C 1.203(9) .
C77C O79C 1.295(10) .
O78C Cd9 2.409(6) 2_665
C11D C12D 1.3900 .
C11D C16D 1.3900 .
C11D C21D 1.5010 .
C12D C13D 1.3900 .
C12D H12D 0.9500 .
C13D C14D 1.3900 .
C13D C41D 1.505(6) .
C14D C15D 1.3900 .
C14D H14D 0.9500 .
C15D C16D 1.3900 .
C15D C61D 1.480(6) .
C16D H16D 0.9500 .
C21D C22D 1.3827 .
C21D C26D 1.410(3) .
C22D C23D 1.4069 .
C22D C31D 1.503(4) .
C23D C24D 1.400(4) .
C23D H23D 0.9500 .
C24D C25D 1.384(5) .
C24D H24D 0.9500 .
C25D C26D 1.367(4) .
C25D H25D 0.9500 .
C26D H26D 0.9500 .
C31D C36D 1.378(5) .
C31D C32D 1.399(5) .
C32D C33D 1.385(5) .
C32D H32D 0.9500 .
C33D C34D 1.374(5) .
C33D H33D 0.9500 .
C34D C35D 1.387(5) .
C34D C37D 1.504(5) .
C35D C36D 1.393(5) .
C35D H35D 0.9500 .
C36D H36D 0.9500 .
C37D O39D 1.256(8) .
C37D O38D 1.276(8) .
O38D Cd16 2.447(4) 2_665
O39D Cd9 2.217(5) 2_665
C41D C42D 1.3974(9) .
C41D C46D 1.410(3) .
C42D C43D 1.4180(9) .
C42D C51D 1.511(4) .
C43D C44D 1.399(4) .
C43D H43D 0.9500 .
C44D C45D 1.383(5) .
C44D H44D 0.9500 .
C45D C46D 1.367(4) .
C45D H45D 0.9500 .
C46D H46D 0.9500 .
C51D C56D 1.384(5) .
C51D C52D 1.396(5) .
C52D C53D 1.387(5) .
C52D H52D 0.9500 .
C53D C54D 1.368(5) .
C53D H53D 0.9500 .
C54D C55D 1.389(5) .
C54D C57D 1.504(5) .
C55D C56D 1.393(5) .
C55D H55D 0.9500 .
C56D H56D 0.9500 .
C57D O58D 1.253(8) .
C57D O59D 1.259(8) .
O58D Cd17 2.361(4) 4_655
C61D C62D 1.3972(9) .
C61D C66D 1.410(3) .
C62D C63D 1.4178(9) .
C62D C71D 1.510(4) .
C63D C64D 1.399(4) .
C63D H63D 0.9500 .
C64D C65D 1.383(5) .
C64D H64D 0.9500 .
C65D C66D 1.367(4) .
C65D H65D 0.9500 .
C66D H66D 0.9500 .
C71D C76D 1.382(5) .
C71D C72D 1.397(5) .
C72D C73D 1.385(5) .
C72D H72D 0.9500 .
C73D C74D 1.375(5) .
C73D H73D 0.9500 .
C74D C75D 1.390(4) .
C74D C77D 1.507(4) .
C75D C76D 1.392(5) .
C75D H75D 0.9500 .
C76D H76D 0.9500 .
C77D O78D 1.245(8) .
C77D O79D 1.282(8) .
O78D Cd5 2.234(4) 4_655
O79D Cd16 2.355(4) 2_665
O79D Cd17 2.470(4) 4_655
C11E C12E 1.3900 .
C11E C16E 1.3900 .
C11E C21E 1.5270 .
C12E C13E 1.3900 .
C12E H12E 0.9500 .
C13E C14E 1.3900 .
C13E C41$ 1.496(14) .
C13E C41E 1.531(13) .
C14E C15E 1.3900 .
C14E H14E 0.9500 .
C15E C16E 1.3900 .
C15E C61E 1.475(9) .
C16E H16E 0.9500 .
C21E C22E 1.3919 .
C21E C26E 1.410(3) .
C22E C23E 1.4496 .
C22E C31E 1.502(5) .
C23E C24E 1.399(4) .
C23E H23E 0.9500 .
C24E C25E 1.383(5) .
C24E H24E 0.9500 .
C25E C26E 1.367(4) .
C25E H25E 0.9500 .
C26E H26E 0.9500 .
C31E C36E 1.379(5) .
C31E C32E 1.394(5) .
C32E C33E 1.388(5) .
C32E H32E 0.9500 .
C33E C34E 1.378(5) .
C33E H33E 0.9500 .
C34E C35E 1.392(5) .
C34E C37E 1.505(5) .
C35E C36E 1.394(5) .
C35E H35E 0.9500 .
C36E H36E 0.9500 .
C37E O39E 1.251(8) .
C37E O38E 1.253(8) .
O38E Cd7 2.393(5) 4_655
C41E C42E 1.3900 .
C41E C46E 1.3900 .
C42E C43E 1.3900 .
C42E C51E 1.505(11) .
C43E C44E 1.3900 .
C43E H43E 0.9500 .
C44E C45E 1.3900 .
C44E H44E 0.9500 .
C45E C46E 1.3900 .
C45E H45E 0.9500 .
C46E H46E 0.9500 .
C41$ C42$ 1.3900 .
C41$ C46$ 1.3900 .
C42$ C43$ 1.3900 .
C42$ C51E 1.527(13) .
C43$ C44$ 1.3900 .
C43$ H43$ 0.9500 .
C44$ C45$ 1.3900 .
C44$ H44$ 0.9500 .
C45$ C46$ 1.3900 .
C45$ H45$ 0.9500 .
C46$ H46$ 0.9500 .
C51E C56E 1.376(5) .
C51E C52E 1.388(4) .
C52E C53E 1.391(4) .
C52E H52E 0.9500 .
C53E C54E 1.372(4) .
C53E H53E 0.9500 .
C54E C55E 1.389(4) .
C54E C57E 1.504(4) .
C55E C56E 1.391(4) .
C55E H55E 0.9500 .
C56E H56E 0.9500 .
C57E O59E 1.226(8) .
C57E O58E 1.250(8) .
C61E C62E 1.3972(9) .
C61E C66E 1.410(3) .
C62E C63E 1.4179(9) .
C62E C71E 1.505(5) .
C63E C64E 1.399(4) .
C63E H63E 0.9500 .
C64E C65E 1.383(5) .
C64E H64E 0.9500 .
C65E C66E 1.367(4) .
C65E H65E 0.9500 .
C66E H66E 0.9500 .
C71E C76E 1.380(5) .
C71E C72E 1.393(5) .
C72E C73E 1.388(5) .
C72E H72E 0.9500 .
C73E C74E 1.374(5) .
C73E H73E 0.9500 .
C74E C75E 1.387(5) .
C74E C77E 1.506(5) .
C75E C76E 1.395(5) .
C75E H75E 0.9500 .
C76E H76E 0.9500 .
C77E O79E 1.239(8) .
C77E O78E 1.292(8) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O59D Cd7 Cd13 O59A 57.2(2) . .
O28 Cd7 Cd13 O59A 152.6(2) . .
O30 Cd7 Cd13 O59A -176.4(2) 4_655 .
O4Y Cd7 Cd13 O59A -86.4(2) . .
O38E Cd7 Cd13 O59A -61.2(3) 4_655 .
O1H Cd7 Cd13 O59A 10.0(3) . .
O59D Cd7 Cd13 O28 -95.5(2) . .
O30 Cd7 Cd13 O28 31.0(2) 4_655 .
O4Y Cd7 Cd13 O28 121.0(2) . .
O38E Cd7 Cd13 O28 146.2(3) 4_655 .
O1H Cd7 Cd13 O28 -142.7(3) . .
O59D Cd7 Cd13 O25 -120.7(2) . .
O28 Cd7 Cd13 O25 -25.2(2) . .
O30 Cd7 Cd13 O25 5.7(2) 4_655 .
O4Y Cd7 Cd13 O25 95.8(2) . .
O38E Cd7 Cd13 O25 120.9(3) 4_655 .
O1H Cd7 Cd13 O25 -167.9(3) . .
O59D Cd7 Cd13 O2Y 151.89(18) . .
O28 Cd7 Cd13 O2Y -112.6(2) . .
O30 Cd7 Cd13 O2Y -81.67(17) 4_655 .
O4Y Cd7 Cd13 O2Y 8.4(2) . .
O38E Cd7 Cd13 O2Y 33.5(2) 4_655 .
O1H Cd7 Cd13 O2Y 104.7(3) . .
O59D Cd7 Cd13 O1H 47.2(3) . .
O28 Cd7 Cd13 O1H 142.7(3) . .
O30 Cd7 Cd13 O1H 173.6(3) 4_655 .
O4Y Cd7 Cd13 O1H -96.3(3) . .
O38E Cd7 Cd13 O1H -71.1(3) 4_655 .
O59D Cd7 Cd13 O58C -37.12(18) . .
O28 Cd7 Cd13 O58C 58.4(2) . .
O30 Cd7 Cd13 O58C 89.32(17) 4_655 .
O4Y Cd7 Cd13 O58C 179.4(2) . .
O38E Cd7 Cd13 O58C -155.5(2) 4_655 .
O1H Cd7 Cd13 O58C -84.3(3) . .
O28 Cd18 O21 Cd17 78.22(18) . 4_655
O59C Cd18 O21 Cd17 -52.6(5) . 4_655
O31 Cd18 O21 Cd17 170.79(18) . 4_655
O38D Cd18 O21 Cd17 -104.42(19) . 4_655
O58D Cd18 O21 Cd17 -10.46(16) . 4_655
O28 Cd18 O21 Cd16 -167.94(17) . 2_665
O59C Cd18 O21 Cd16 61.2(5) . 2_665
O31 Cd18 O21 Cd16 -75.36(18) . 2_665
O38D Cd18 O21 Cd16 9.42(17) . 2_665
O58D Cd18 O21 Cd16 103.38(19) . 2_665
O59E Cd12 O22 Cd14 -32.4(5) . .
O24 Cd12 O22 Cd14 178.31(18) . .
O2Y Cd12 O22 Cd14 81.13(18) . .
O58A Cd12 O22 Cd14 -9.97(16) . .
O38A Cd12 O22 Cd14 -99.68(18) . .
O59E Cd12 O22 Cd10 77.6(5) . .
O24 Cd12 O22 Cd10 -71.69(17) . .
O2Y Cd12 O22 Cd10 -168.87(15) . .
O58A Cd12 O22 Cd10 100.04(18) . .
O38A Cd12 O22 Cd10 10.33(16) . .
O39C Cd14 O22 Cd12 69.9(5) . .
O25 Cd14 O22 Cd12 -74.13(17) . .
O2Z Cd14 O22 Cd12 -168.68(16) . .
O78A Cd14 O22 Cd12 100.08(18) . .
O58A Cd14 O22 Cd12 9.94(15) . .
O39C Cd14 O22 Cd10 -40.2(5) . .
O25 Cd14 O22 Cd10 175.79(18) . .
O2Z Cd14 O22 Cd10 81.23(18) . .
O78A Cd14 O22 Cd10 -10.00(16) . .
O58A Cd14 O22 Cd10 -100.14(18) . .
O59B Cd10 O22 Cd12 -40.6(5) . .
O23 Cd10 O22 Cd12 177.39(18) . .
O2X Cd10 O22 Cd12 81.80(18) . .
O38A Cd10 O22 Cd12 -10.45(16) . .
O78A Cd10 O22 Cd12 -99.72(18) . .
O59B Cd10 O22 Cd14 69.0(5) . .
O23 Cd10 O22 Cd14 -73.02(18) . .
O2X Cd10 O22 Cd14 -168.61(16) . .
O38A Cd10 O22 Cd14 99.14(18) . .
O78A Cd10 O22 Cd14 9.86(16) . .
O29 Cd4 O23 Cd15 -76.7(2) . .
O3X Cd4 O23 Cd15 178.6(3) . .
O58B Cd4 O23 Cd15 91.0(3) . .
O78B Cd4 O23 Cd15 8.92(18) . .
O38B Cd4 O23 Cd15 -151(2) . .
O29 Cd4 O23 Cd10 154.95(17) . .
O3X Cd4 O23 Cd10 50.2(3) . .
O58B Cd4 O23 Cd10 -37.3(3) . .
O78B Cd4 O23 Cd10 -119.46(19) . .
O38B Cd4 O23 Cd10 81(2) . .
O26 Cd15 O23 Cd4 70.11(18) . .
O79A Cd15 O23 Cd4 -94.0(2) . .
O2Z Cd15 O23 Cd4 163.12(18) . .
O1G Cd15 O23 Cd4 42.2(14) . .
O78B Cd15 O23 Cd4 -8.38(17) . .
O26 Cd15 O23 Cd10 -172.1(2) . .
O79A Cd15 O23 Cd10 23.8(2) . .
O2Z Cd15 O23 Cd10 -79.1(2) . .
O1G Cd15 O23 Cd10 160.0(13) . .
O78B Cd15 O23 Cd10 109.4(2) . .
O59B Cd10 O23 Cd4 39.1(2) . .
O22 Cd10 O23 Cd4 -158.02(18) . .
O2X Cd10 O23 Cd4 -53.12(19) . .
O38A Cd10 O23 Cd4 177.3(4) . .
O78A Cd10 O23 Cd4 125.40(18) . .
O59B Cd10 O23 Cd15 -78.7(3) . .
O22 Cd10 O23 Cd15 84.1(2) . .
O2X Cd10 O23 Cd15 -171.0(2) . .
O38A Cd10 O23 Cd15 59.5(6) . .
O78A Cd10 O23 Cd15 7.5(2) . .
O30 Cd6 O24 Cd12 153.75(17) . .
O58E Cd6 O24 Cd12 -42.5(2) . .
O3Y Cd6 O24 Cd12 45.9(2) . .
O78E Cd6 O24 Cd12 -121.88(18) . .
O38E Cd6 O24 Cd12 86.9(17) . .
O30 Cd6 O24 Cd11 -76.04(19) . .
O58E Cd6 O24 Cd11 87.7(2) . .
O3Y Cd6 O24 Cd11 176.1(2) . .
O78E Cd6 O24 Cd11 8.33(17) . .
O38E Cd6 O24 Cd11 -142.9(17) . .
O59E Cd12 O24 Cd6 34.1(2) . .
O22 Cd12 O24 Cd6 -158.87(18) . .
O2Y Cd12 O24 Cd6 -57.39(18) . .
O58A Cd12 O24 Cd6 175.4(4) . .
O38A Cd12 O24 Cd6 124.03(18) . .
O59E Cd12 O24 Cd11 -82.5(3) . .
O22 Cd12 O24 Cd11 84.5(2) . .
O2Y Cd12 O24 Cd11 -174.0(2) . .
O58A Cd12 O24 Cd11 58.8(6) . .
O38A Cd12 O24 Cd11 7.4(2) . .
O27 Cd11 O24 Cd6 72.23(18) . .
O39A Cd11 O24 Cd6 -94.0(2) . .
O2X Cd11 O24 Cd6 164.87(17) . .
O1F Cd11 O24 Cd6 29.1(11) . .
O78E Cd11 O24 Cd6 -7.97(16) . .
O27 Cd11 O24 Cd12 -171.6(2) . .
O39A Cd11 O24 Cd12 22.2(3) . .
O2X Cd11 O24 Cd12 -79.0(2) . .
O1F Cd11 O24 Cd12 145.2(9) . .
O78E Cd11 O24 Cd12 108.2(2) . .
O38C Cd8 O25 Cd13 93.7(3) . .
O3Z Cd8 O25 Cd13 -179.9(3) . .
O31 Cd8 O25 Cd13 -76.21(19) . .
O58C Cd8 O25 Cd13 10.82(17) . .
O78C Cd8 O25 Cd13 -133.2(14) . .
O38C Cd8 O25 Cd14 -35.6(3) . .
O3Z Cd8 O25 Cd14 50.8(3) . .
O31 Cd8 O25 Cd14 154.48(17) . .
O58C Cd8 O25 Cd14 -118.49(19) . .
O78C Cd8 O25 Cd14 97.5(15) . .
O59A Cd13 O25 Cd8 -94.1(2) . .
O28 Cd13 O25 Cd8 68.48(18) . .
O2Y Cd13 O25 Cd8 165.47(17) . .
O1H Cd13 O25 Cd8 20.6(11) . .
O58C Cd13 O25 Cd8 -10.11(16) . .
Cd7 Cd13 O25 Cd8 84.23(18) . .
O59A Cd13 O25 Cd14 24.4(2) . .
O28 Cd13 O25 Cd14 -173.1(2) . .
O2Y Cd13 O25 Cd14 -76.1(2) . .
O1H Cd13 O25 Cd14 139.0(10) . .
O58C Cd13 O25 Cd14 108.3(2) . .
Cd7 Cd13 O25 Cd14 -157.34(11) . .
O39C Cd14 O25 Cd8 37.0(2) . .
O22 Cd14 O25 Cd8 -158.75(18) . .
O2Z Cd14 O25 Cd8 -55.65(18) . .
O78A Cd14 O25 Cd8 -178(16) . .
O58A Cd14 O25 Cd8 123.67(18) . .
O39C Cd14 O25 Cd13 -81.1(3) . .
O22 Cd14 O25 Cd13 83.1(2) . .
O2Z Cd14 O25 Cd13 -173.8(2) . .
O78A Cd14 O25 Cd13 63.4(6) . .
O58A Cd14 O25 Cd13 5.5(2) . .
O4Z Cd9 O26 Cd15 -53.4(3) . .
O39D Cd9 O26 Cd15 94.64(19) 2_665 .
O31 Cd9 O26 Cd15 -157.48(17) 2_665 .
O78C Cd9 O26 Cd15 -133.2(6) 2_665 .
O1G Cd9 O26 Cd15 23.4(2) . .
O4Z Cd9 O26 Cd16 178.2(3) . .
O39D Cd9 O26 Cd16 -33.7(2) 2_665 .
O31 Cd9 O26 Cd16 74.16(18) 2_665 .
O78C Cd9 O26 Cd16 98.4(6) 2_665 .
O1G Cd9 O26 Cd16 -105.0(2) . .
O79A Cd15 O26 Cd9 -70.5(5) . .
O23 Cd15 O26 Cd9 159.37(17) . .
O2Z Cd15 O26 Cd9 64.95(18) . .
O1G Cd15 O26 Cd9 -25.1(2) . .
O78B Cd15 O26 Cd9 -124.07(18) . .
O79A Cd15 O26 Cd16 49.8(6) . .
O23 Cd15 O26 Cd16 -80.3(2) . .
O2Z Cd15 O26 Cd16 -174.7(2) . .
O1G Cd15 O26 Cd16 95.2(3) . .
O78B Cd15 O26 Cd16 -3.74(19) . .
O79B Cd16 O26 Cd9 82.2(2) . .
O21 Cd16 O26 Cd9 -78.99(18) 2_665 .
O29 Cd16 O26 Cd9 -167.75(18) . .
O79D Cd16 O26 Cd9 -103.5(12) 2_665 .
O38D Cd16 O26 Cd9 -2.77(18) 2_665 .
O79B Cd16 O26 Cd15 -36.6(2) . .
O21 Cd16 O26 Cd15 162.2(2) 2_665 .
O29 Cd16 O26 Cd15 73.4(2) . .
O79D Cd16 O26 Cd15 137.7(12) 2_665 .
O38D Cd16 O26 Cd15 -121.6(2) 2_665 .
O39A Cd11 O27 Cd5 -64.1(6) . .
O24 Cd11 O27 Cd5 160.97(17) . .
O2X Cd11 O27 Cd5 65.95(18) . .
O1F Cd11 O27 Cd5 -26.2(2) . .
O78E Cd11 O27 Cd5 -120.98(18) . .
O39A Cd11 O27 Cd17 55.8(6) . .
O24 Cd11 O27 Cd17 -79.1(2) . .
O2X Cd11 O27 Cd17 -174.1(2) . .
O1F Cd11 O27 Cd17 93.7(2) . .
O78E Cd11 O27 Cd17 -1.02(19) . .
O78D Cd5 O27 Cd11 97.70(19) 4_655 .
O4X Cd5 O27 Cd11 -51.7(2) . .
O29 Cd5 O27 Cd11 -155.84(18) 3_565 .
O38B Cd5 O27 Cd11 -124.7(4) 3_565 .
O1F Cd5 O27 Cd11 24.94(18) . .
O78D Cd5 O27 Cd17 -29.4(2) 4_655 .
O4X Cd5 O27 Cd17 -178.8(2) . .
O29 Cd5 O27 Cd17 77.05(19) 3_565 .
O38B Cd5 O27 Cd17 108.2(4) 3_565 .
O1F Cd5 O27 Cd17 -102.2(2) . .
O79E Cd17 O27 Cd11 -38.4(2) . .
O21 Cd17 O27 Cd11 160.9(2) 4_655 .
O30 Cd17 O27 Cd11 70.1(2) . .
O58D Cd17 O27 Cd11 141.1(13) 4_655 .
O79D Cd17 O27 Cd11 -123.4(2) 4_655 .
O79E Cd17 O27 Cd5 79.9(2) . .
O21 Cd17 O27 Cd5 -80.78(18) 4_655 .
O30 Cd17 O27 Cd5 -171.49(18) . .
O58D Cd17 O27 Cd5 -100.5(14) 4_655 .
O79D Cd17 O27 Cd5 -5.06(18) 4_655 .
O59A Cd13 O28 Cd7 -66.8(5) . .
O25 Cd13 O28 Cd7 161.44(16) . .
O2Y Cd13 O28 Cd7 66.40(18) . .
O1H Cd13 O28 Cd7 -25.7(2) . .
O58C Cd13 O28 Cd7 -122.10(18) . .
O59A Cd13 O28 Cd18 55.3(5) . .
O25 Cd13 O28 Cd18 -76.4(2) . .
O2Y Cd13 O28 Cd18 -171.5(2) . .
O1H Cd13 O28 Cd18 96.4(3) . .
O58C Cd13 O28 Cd18 0.0(2) . .
Cd7 Cd13 O28 Cd18 122.1(3) . .
O59D Cd7 O28 Cd13 100.88(19) . .
O30 Cd7 O28 Cd13 -154.19(18) 4_655 .
O4Y Cd7 O28 Cd13 -52.8(2) . .
O38E Cd7 O28 Cd13 -123.7(4) 4_655 .
O1H Cd7 O28 Cd13 25.46(19) . .
O59D Cd7 O28 Cd18 -28.3(2) . .
O30 Cd7 O28 Cd18 76.59(19) 4_655 .
O4Y Cd7 O28 Cd18 177.9(2) . .
O38E Cd7 O28 Cd18 107.0(4) 4_655 .
O1H Cd7 O28 Cd18 -103.8(2) . .
Cd13 Cd7 O28 Cd18 -129.2(3) . .
O59C Cd18 O28 Cd13 -37.9(3) . .
O21 Cd18 O28 Cd13 160.4(2) . .
O31 Cd18 O28 Cd13 71.2(2) . .
O38D Cd18 O28 Cd13 140.3(11) . .
O58D Cd18 O28 Cd13 -122.8(2) . .
O59C Cd18 O28 Cd7 80.3(2) . .
O21 Cd18 O28 Cd7 -81.29(19) . .
O31 Cd18 O28 Cd7 -170.48(18) . .
O38D Cd18 O28 Cd7 -101.4(12) . .
O58D Cd18 O28 Cd7 -4.48(18) . .
O3X Cd4 O29 Cd5 -65.0(3) . 3_565
O23 Cd4 O29 Cd5 -164.60(18) . 3_565
O58B Cd4 O29 Cd5 66.1(11) . 3_565
O78B Cd4 O29 Cd5 114.5(2) . 3_565
O38B Cd4 O29 Cd5 11.44(19) . 3_565
O3X Cd4 O29 Cd16 171.6(2) . .
O23 Cd4 O29 Cd16 72.1(2) . .
O58B Cd4 O29 Cd16 -57.2(11) . .
O78B Cd4 O29 Cd16 -8.86(19) . .
O38B Cd4 O29 Cd16 -111.9(2) . .
O26 Cd16 O29 Cd4 -61.00(19) . .
O79B Cd16 O29 Cd4 38.7(2) . .
O21 Cd16 O29 Cd4 -156.68(19) 2_665 .
O79D Cd16 O29 Cd4 125.5(2) 2_665 .
O38D Cd16 O29 Cd4 -163.3(5) 2_665 .
O26 Cd16 O29 Cd5 176.1(2) . 3_565
O79B Cd16 O29 Cd5 -84.2(2) . 3_565
O21 Cd16 O29 Cd5 80.4(2) 2_665 3_565
O79D Cd16 O29 Cd5 2.57(19) 2_665 3_565
O38D Cd16 O29 Cd5 73.8(6) 2_665 3_565
O58E Cd6 O30 Cd7 84.3(7) . 4_655
O24 Cd6 O30 Cd7 -163.28(17) . 4_655
O3Y Cd6 O30 Cd7 -63.5(2) . 4_655
O78E Cd6 O30 Cd7 115.4(2) . 4_655
O38E Cd6 O30 Cd7 11.68(18) . 4_655
O58E Cd6 O30 Cd17 -39.3(8) . .
O24 Cd6 O30 Cd17 73.2(2) . .
O3Y Cd6 O30 Cd17 172.9(2) . .
O78E Cd6 O30 Cd17 -8.19(19) . .
O38E Cd6 O30 Cd17 -111.9(2) . .
O79E Cd17 O30 Cd6 39.7(2) . .
O27 Cd17 O30 Cd6 -62.2(2) . .
O21 Cd17 O30 Cd6 -157.8(2) 4_655 .
O58D Cd17 O30 Cd6 123.9(2) 4_655 .
O79D Cd17 O30 Cd6 -164.7(5) 4_655 .
O79E Cd17 O30 Cd7 -81.6(2) . 4_655
O27 Cd17 O30 Cd7 176.5(2) . 4_655
O21 Cd17 O30 Cd7 80.8(2) 4_655 4_655
O58D Cd17 O30 Cd7 2.52(19) 4_655 4_655
O79D Cd17 O30 Cd7 73.9(7) 4_655 4_655
O38C Cd8 O31 Cd9 59.0(11) . 2_665
O3Z Cd8 O31 Cd9 -63.7(3) . 2_665
O25 Cd8 O31 Cd9 -160.66(18) . 2_665
O58C Cd8 O31 Cd9 117.6(2) . 2_665
O78C Cd8 O31 Cd9 13.2(2) . 2_665
O38C Cd8 O31 Cd18 -65.6(11) . .
O3Z Cd8 O31 Cd18 171.8(2) . .
O25 Cd8 O31 Cd18 74.8(2) . .
O58C Cd8 O31 Cd18 -7.03(19) . .
O78C Cd8 O31 Cd18 -111.4(2) . .
O28 Cd18 O31 Cd8 -62.50(19) . .
O59C Cd18 O31 Cd8 39.8(2) . .
O21 Cd18 O31 Cd8 -157.42(19) . .
O38D Cd18 O31 Cd8 124.5(2) . .
O58D Cd18 O31 Cd8 -162.4(5) . .
O28 Cd18 O31 Cd9 173.8(2) . 2_665
O59C Cd18 O31 Cd9 -83.9(2) . 2_665
O21 Cd18 O31 Cd9 78.9(2) . 2_665
O38D Cd18 O31 Cd9 0.8(2) . 2_665
O58D Cd18 O31 Cd9 73.9(7) . 2_665
O3X N1X O2X Cd11 -178.8(4) . .
O4X N1X O2X Cd11 0.6(5) . .
O3X N1X O2X Cd10 -20.5(5) . .
O4X N1X O2X Cd10 158.8(4) . .
O27 Cd11 O2X N1X -46.8(3) . .
O39A Cd11 O2X N1X 118.2(3) . .
O24 Cd11 O2X N1X -141.6(3) . .
O1F Cd11 O2X N1X 31.2(3) . .
O78E Cd11 O2X N1X -93.4(10) . .
O27 Cd11 O2X Cd10 150.64(17) . .
O39A Cd11 O2X Cd10 -44.3(2) . .
O24 Cd11 O2X Cd10 55.81(18) . .
O1F Cd11 O2X Cd10 -131.37(18) . .
O78E Cd11 O2X Cd10 104.0(10) . .
O59B Cd10 O2X N1X -72.0(4) . .
O23 Cd10 O2X N1X 42.0(4) . .
O22 Cd10 O2X N1X 129.7(4) . .
O38A Cd10 O2X N1X -152.2(4) . .
O78A Cd10 O2X N1X -4(5) . .
O59B Cd10 O2X Cd11 89.5(2) . .
O23 Cd10 O2X Cd11 -156.51(17) . .
O22 Cd10 O2X Cd11 -68.81(19) . .
O38A Cd10 O2X Cd11 9.21(18) . .
O78A Cd10 O2X Cd11 157(4) . .
O4X N1X O3X Cd4 -160.6(8) . .
O2X N1X O3X Cd4 18.8(9) . .
O4X N1X O3X Cd1 -4.6(4) . .
O2X N1X O3X Cd1 174.9(3) . .
O29 Cd4 O3X N1X -143.6(7) . .
O23 Cd4 O3X N1X -37.3(8) . .
O58B Cd4 O3X N1X 48.4(8) . .
O78B Cd4 O3X N1X 39.1(17) . .
O38B Cd4 O3X N1X 144.8(8) . .
O29 Cd4 O3X Cd1 64.5(4) . .
O23 Cd4 O3X Cd1 170.7(4) . .
O58B Cd4 O3X Cd1 -103.6(4) . .
O78B Cd4 O3X Cd1 -112.9(10) . .
O38B Cd4 O3X Cd1 -7.2(4) . .
O39B Cd1 O3X N1X -125.0(4) . .
O39B Cd1 O3X N1X -39.2(5) 3_565 .
O4X Cd1 O3X N1X 2.9(2) . .
O4X Cd1 O3X N1X 142.4(4) 3_565 .
O3X Cd1 O3X N1X 88.4(4) 3_565 .
O39B Cd1 O3X Cd4 37.5(4) . .
O39B Cd1 O3X Cd4 123.3(3) 3_565 .
O4X Cd1 O3X Cd4 165.4(6) . .
O4X Cd1 O3X Cd4 -55.0(4) 3_565 .
O3X Cd1 O3X Cd4 -109.0(4) 3_565 .
O3X N1X O4X Cd5 -153.6(7) . .
O2X N1X O4X Cd5 27.0(8) . .
O3X N1X O4X Cd1 4.8(4) . .
O2X N1X O4X Cd1 -174.7(3) . .
O27 Cd5 O4X N1X 3.9(7) . .
O78D Cd5 O4X N1X -129.5(6) 4_655 .
O29 Cd5 O4X N1X 93.1(6) 3_565 .
O38B Cd5 O4X N1X 162.1(7) 3_565 .
O1F Cd5 O4X N1X -69.9(6) . .
O27 Cd5 O4X Cd1 -151.3(3) . .
O78D Cd5 O4X Cd1 75.3(4) 4_655 .
O29 Cd5 O4X Cd1 -62.1(3) 3_565 .
O38B Cd5 O4X Cd1 6.9(3) 3_565 .
O1F Cd5 O4X Cd1 134.9(3) . .
O39B Cd1 O4X N1X 70.7(4) . .
O39B Cd1 O4X N1X 149.6(3) 3_565 .
O4X Cd1 O4X N1X -65.0(3) 3_565 .
O3X Cd1 O4X N1X -2.9(2) . .
O3X Cd1 O4X N1X -110.7(4) 3_565 .
O39B Cd1 O4X Cd5 -125.5(3) . .
O39B Cd1 O4X Cd5 -46.6(3) 3_565 .
O4X Cd1 O4X Cd5 98.8(3) 3_565 .
O3X Cd1 O4X Cd5 160.9(5) . .
O3X Cd1 O4X Cd5 53.0(3) 3_565 .
O3Y N1Y O2Y Cd13 -166.7(4) . .
O4Y N1Y O2Y Cd13 12.9(5) . .
O3Y N1Y O2Y Cd12 -15.0(5) . .
O4Y N1Y O2Y Cd12 164.7(4) . .
O59A Cd13 O2Y N1Y 113.1(3) . .
O28 Cd13 O2Y N1Y -49.8(3) . .
O25 Cd13 O2Y N1Y -145.6(3) . .
O1H Cd13 O2Y N1Y 29.0(3) . .
O58C Cd13 O2Y N1Y -117.2(9) . .
Cd7 Cd13 O2Y N1Y -13.8(3) . .
O59A Cd13 O2Y Cd12 -43.1(2) . .
O28 Cd13 O2Y Cd12 153.96(18) . .
O25 Cd13 O2Y Cd12 58.15(19) . .
O1H Cd13 O2Y Cd12 -127.26(19) . .
O58C Cd13 O2Y Cd12 86.6(10) . .
Cd7 Cd13 O2Y Cd12 -169.97(17) . .
O59E Cd12 O2Y N1Y -66.4(4) . .
O24 Cd12 O2Y N1Y 48.2(4) . .
O22 Cd12 O2Y N1Y 135.1(3) . .
O58A Cd12 O2Y N1Y -146.8(4) . .
O38A Cd12 O2Y N1Y 107(5) . .
O59E Cd12 O2Y Cd13 88.4(2) . .
O24 Cd12 O2Y Cd13 -156.99(18) . .
O22 Cd12 O2Y Cd13 -70.13(19) . .
O58A Cd12 O2Y Cd13 8.02(19) . .
O38A Cd12 O2Y Cd13 -99(5) . .
O4Y N1Y O3Y Cd6 177.0(7) . .
O2Y N1Y O3Y Cd6 -3.3(8) . .
O4Y N1Y O3Y Cd2 -3.7(4) . .
O2Y N1Y O3Y Cd2 175.9(3) . .
O30 Cd6 O3Y N1Y -121.0(7) . .
O58E Cd6 O3Y N1Y 68.2(7) . .
O24 Cd6 O3Y N1Y -17.0(7) . .
O78E Cd6 O3Y N1Y 64.3(13) . .
O38E Cd6 O3Y N1Y 166.5(7) . .
O30 Cd6 O3Y Cd2 59.9(4) . .
O58E Cd6 O3Y Cd2 -110.9(4) . .
O24 Cd6 O3Y Cd2 163.9(3) . .
O78E Cd6 O3Y Cd2 -114.8(8) . .
O38E Cd6 O3Y Cd2 -12.6(3) . .
O39E Cd2 O3Y N1Y -51.6(5) 4_655 .
O39E Cd2 O3Y N1Y -136.5(3) . .
O4Y Cd2 O3Y N1Y 2.3(2) . .
O4Y Cd2 O3Y N1Y 129.3(4) 4_655 .
O3Y Cd2 O3Y N1Y 77.7(3) 4_655 .
O39E Cd2 O3Y Cd6 127.9(3) 4_655 .
O39E Cd2 O3Y Cd6 42.9(4) . .
O4Y Cd2 O3Y Cd6 -178.2(5) . .
O4Y Cd2 O3Y Cd6 -51.2(4) 4_655 .
O3Y Cd2 O3Y Cd6 -102.8(4) 4_655 .
O3Y N1Y O4Y Cd7 -177.4(7) . .
O2Y N1Y O4Y Cd7 3.0(8) . .
O3Y N1Y O4Y Cd2 3.8(4) . .
O2Y N1Y O4Y Cd2 -175.9(3) . .
O59D Cd7 O4Y N1Y -110.4(6) . .
O28 Cd7 O4Y N1Y 21.4(7) . .
O30 Cd7 O4Y N1Y 109.5(6) 4_655 .
O38E Cd7 O4Y N1Y -178.0(7) 4_655 .
O1H Cd7 O4Y N1Y -55.3(6) . .
Cd13 Cd7 O4Y N1Y -10.9(6) . .
O59D Cd7 O4Y Cd2 68.2(4) . .
O28 Cd7 O4Y Cd2 -159.9(3) . .
O30 Cd7 O4Y Cd2 -71.8(3) 4_655 .
O38E Cd7 O4Y Cd2 0.7(3) 4_655 .
O1H Cd7 O4Y Cd2 123.3(3) . .
Cd13 Cd7 O4Y Cd2 167.8(3) . .
O39E Cd2 O4Y N1Y 141.8(3) 4_655 .
O39E Cd2 O4Y N1Y 58.4(4) . .
O4Y Cd2 O4Y N1Y -72.8(3) 4_655 .
O3Y Cd2 O4Y N1Y -2.3(2) . .
O3Y Cd2 O4Y N1Y -122.5(4) 4_655 .
O39E Cd2 O4Y Cd7 -37.4(3) 4_655 .
O39E Cd2 O4Y Cd7 -120.8(3) . .
O4Y Cd2 O4Y Cd7 108.0(3) 4_655 .
O3Y Cd2 O4Y Cd7 178.5(5) . .
O3Y Cd2 O4Y Cd7 58.3(3) 4_655 .
O3Z N1Z O2Z Cd14 -14.4(6) . .
O4Z N1Z O2Z Cd14 165.2(5) . .
O3Z N1Z O2Z Cd15 -171.6(5) . .
O4Z N1Z O2Z Cd15 8.0(6) . .
O39C Cd14 O2Z N1Z -71.6(4) . .
O25 Cd14 O2Z N1Z 41.5(4) . .
O22 Cd14 O2Z N1Z 129.7(4) . .
O78A Cd14 O2Z N1Z -152.7(4) . .
O58A Cd14 O2Z N1Z 14(6) . .
O39C Cd14 O2Z Cd15 88.5(2) . .
O25 Cd14 O2Z Cd15 -158.41(18) . .
O22 Cd14 O2Z Cd15 -70.2(2) . .
O78A Cd14 O2Z Cd15 7.40(19) . .
O58A Cd14 O2Z Cd15 174(100) . .
O26 Cd15 O2Z N1Z -46.4(4) . .
O79A Cd15 O2Z N1Z 119.0(4) . .
O23 Cd15 O2Z N1Z -139.0(4) . .
O1G Cd15 O2Z N1Z 32.9(4) . .
O78B Cd15 O2Z N1Z -94.7(8) . .
O26 Cd15 O2Z Cd14 151.97(18) . .
O79A Cd15 O2Z Cd14 -42.7(2) . .
O23 Cd15 O2Z Cd14 59.3(2) . .
O1G Cd15 O2Z Cd14 -128.8(2) . .
O78B Cd15 O2Z Cd14 103.6(8) . .
O4Z N1Z O3Z Cd8 -171.4(9) . .
O2Z N1Z O3Z Cd8 8.3(10) . .
O4Z N1Z O3Z Cd3 -4.4(4) . .
O2Z N1Z O3Z Cd3 175.2(4) . .
O38C Cd8 O3Z N1Z 58.3(9) . .
O25 Cd8 O3Z N1Z -30.4(9) . .
O31 Cd8 O3Z N1Z -135.1(9) . .
O58C Cd8 O3Z N1Z 38.8(19) . .
O78C Cd8 O3Z N1Z 154.7(9) . .
O38C Cd8 O3Z Cd3 -106.7(5) . .
O25 Cd8 O3Z Cd3 164.5(4) . .
O31 Cd8 O3Z Cd3 59.9(4) . .
O58C Cd8 O3Z Cd3 -126.3(9) . .
O78C Cd8 O3Z Cd3 -10.4(4) . .
O79C Cd3 O3Z N1Z -49.6(6) 2_665 .
O79C Cd3 O3Z N1Z -128.7(4) . .
O4Z Cd3 O3Z N1Z 3.0(3) . .
O4Z Cd3 O3Z N1Z 135.2(5) 2_665 .
O3Z Cd3 O3Z N1Z 83.6(4) 2_665 .
O79C Cd3 O3Z Cd8 121.0(4) 2_665 .
O79C Cd3 O3Z Cd8 41.9(5) . .
O4Z Cd3 O3Z Cd8 173.6(7) . .
O4Z Cd3 O3Z Cd8 -54.3(4) 2_665 .
O3Z Cd3 O3Z Cd8 -105.8(4) 2_665 .
O3Z N1Z O4Z Cd9 -169.8(9) . .
O2Z N1Z O4Z Cd9 10.5(10) . .
O3Z N1Z O4Z Cd3 4.7(4) . .
O2Z N1Z O4Z Cd3 -174.9(4) . .
O26 Cd9 O4Z N1Z 16.8(8) . .
O39D Cd9 O4Z N1Z -110.4(8) 2_665 .
O31 Cd9 O4Z N1Z 108.5(8) 2_665 .
O78C Cd9 O4Z N1Z 178.7(9) 2_665 .
O1G Cd9 O4Z N1Z -57.6(8) . .
O26 Cd9 O4Z Cd3 -157.3(4) . .
O39D Cd9 O4Z Cd3 75.5(5) 2_665 .
O31 Cd9 O4Z Cd3 -65.5(4) 2_665 .
O78C Cd9 O4Z Cd3 4.7(4) 2_665 .
O1G Cd9 O4Z Cd3 128.3(4) . .
O79C Cd3 O4Z N1Z 141.5(4) 2_665 .
O79C Cd3 O4Z N1Z 63.8(6) . .
O4Z Cd3 O4Z N1Z -72.5(4) 2_665 .
O3Z Cd3 O4Z N1Z -3.0(3) . .
O3Z Cd3 O4Z N1Z -120.5(5) 2_665 .
O79C Cd3 O4Z Cd9 -42.4(4) 2_665 .
O79C Cd3 O4Z Cd9 -120.1(4) . .
O4Z Cd3 O4Z Cd9 103.6(4) 2_665 .
O3Z Cd3 O4Z Cd9 173.1(6) . .
O3Z Cd3 O4Z Cd9 55.6(4) 2_665 .
O27 Cd11 O1F C2F 174.1(7) . .
O39A Cd11 O1F C2F -17.7(7) . .
O24 Cd11 O1F C2F -141.7(9) . .
O2X Cd11 O1F C2F 82.4(7) . .
O78E Cd11 O1F C2F -105.4(7) . .
O27 Cd11 O1F Cd5 22.41(16) . .
O39A Cd11 O1F Cd5 -169.4(2) . .
O24 Cd11 O1F Cd5 66.6(11) . .
O2X Cd11 O1F Cd5 -69.31(18) . .
O78E Cd11 O1F Cd5 102.91(18) . .
O27 Cd5 O1F C2F -174.8(7) . .
O78D Cd5 O1F C2F 67.0(7) 4_655 .
O4X Cd5 O1F C2F -79.2(7) . .
O29 Cd5 O1F C2F -177.5(6) 3_565 .
O38B Cd5 O1F C2F -8.4(7) 3_565 .
O27 Cd5 O1F Cd11 -22.63(16) . .
O78D Cd5 O1F Cd11 -140.9(2) 4_655 .
O4X Cd5 O1F Cd11 73.0(2) . .
O29 Cd5 O1F Cd11 -25.4(7) 3_565 .
O38B Cd5 O1F Cd11 143.80(17) 3_565 .
Cd11 O1F C2F C4F 79.9(10) . .
Cd5 O1F C2F C4F -138.0(8) . .
Cd11 O1F C2F C5F -43.4(11) . .
Cd5 O1F C2F C5F 98.7(9) . .
Cd11 O1F C2F C3F -163.5(7) . .
Cd5 O1F C2F C3F -21.4(11) . .
O26 Cd15 O1G C2G 176.5(9) . .
O79A Cd15 O1G C2G -18.0(9) . .
O23 Cd15 O1G C2G -155.0(10) . .
O2Z Cd15 O1G C2G 83.8(9) . .
O78B Cd15 O1G C2G -105.7(9) . .
O26 Cd15 O1G C4G -134.2(7) . .
O79A Cd15 O1G C4G 31.3(6) . .
O23 Cd15 O1G C4G -105.7(14) . .
O2Z Cd15 O1G C4G 133.1(6) . .
O78B Cd15 O1G C4G -56.4(6) . .
O26 Cd15 O1G Cd9 21.12(17) . .
O79A Cd15 O1G Cd9 -173.4(2) . .
O23 Cd15 O1G Cd9 49.5(15) . .
O2Z Cd15 O1G Cd9 -71.6(2) . .
O78B Cd15 O1G Cd9 98.9(2) . .
O4Z Cd9 O1G C2G -84.3(8) . .
O26 Cd9 O1G C2G -178.7(8) . .
O39D Cd9 O1G C2G 65.5(7) 2_665 .
O31 Cd9 O1G C2G 177.5(7) 2_665 .
O78C Cd9 O1G C2G -7.1(8) 2_665 .
O4Z Cd9 O1G C4G -146.1(10) . .
O26 Cd9 O1G C4G 119.6(10) . .
O39D Cd9 O1G C4G 3.7(10) 2_665 .
O31 Cd9 O1G C4G 115.8(11) 2_665 .
O78C Cd9 O1G C4G -68.9(11) 2_665 .
O4Z Cd9 O1G Cd15 72.8(3) . .
O26 Cd9 O1G Cd15 -21.53(18) . .
O39D Cd9 O1G Cd15 -137.4(3) 2_665 .
O31 Cd9 O1G Cd15 -25.3(10) 2_665 .
O78C Cd9 O1G Cd15 150.1(2) 2_665 .
Cd15 O1G C2G C4G 82.5(11) . .
Cd9 O1G C2G C4G -129.9(9) . .
C4G O1G C2G C5G -122.7(13) . .
Cd15 O1G C2G C5G -40.2(13) . .
Cd9 O1G C2G C5G 107.3(10) . .
C4G O1G C2G C3G 114.9(12) . .
Cd15 O1G C2G C3G -162.6(8) . .
Cd9 O1G C2G C3G -15.1(12) . .
C5G C2G C4G O1G 118.2(12) . .
C3G C2G C4G O1G -114.8(11) . .
Cd15 O1G C4G C2G -127.1(8) . .
Cd9 O1G C4G C2G 97.1(11) . .
O59A Cd13 O1H C2H -12.2(7) . .
O28 Cd13 O1H C2H -177.1(8) . .
O25 Cd13 O1H C2H -128.1(10) . .
O2Y Cd13 O1H C2H 86.9(7) . .
O58C Cd13 O1H C2H -98.1(7) . .
Cd7 Cd13 O1H C2H 159.8(9) . .
O59A Cd13 O1H Cd7 -172.1(2) . .
O28 Cd13 O1H Cd7 23.09(17) . .
O25 Cd13 O1H Cd7 72.0(11) . .
O2Y Cd13 O1H Cd7 -72.91(19) . .
O58C Cd13 O1H Cd7 102.03(19) . .
O59D Cd7 O1H C2H 63.1(7) . .
O28 Cd7 O1H C2H 177.3(8) . .
O30 Cd7 O1H C2H 178.7(7) 4_655 .
O4Y Cd7 O1H C2H -89.5(7) . .
O38E Cd7 O1H C2H -14.6(8) 4_655 .
Cd13 Cd7 O1H C2H -159.9(9) . .
O59D Cd7 O1H Cd13 -137.0(2) . .
O28 Cd7 O1H Cd13 -22.82(17) . .
O30 Cd7 O1H Cd13 -21.5(9) 4_655 .
O4Y Cd7 O1H Cd13 70.4(2) . .
O38E Cd7 O1H Cd13 145.29(16) 4_655 .
Cd13 O1H C2H C5H 82.8(11) . .
Cd7 O1H C2H C5H -124.9(10) . .
Cd13 O1H C2H C4H -43.9(12) . .
Cd7 O1H C2H C4H 108.4(9) . .
Cd13 O1H C2H C3H -169.5(7) . .
Cd7 O1H C2H C3H -17.2(12) . .
C16A C11A C12A C13A 0.0 . .
C21A C11A C12A C13A 175.0 . .
C11A C12A C13A C14A 0.0 . .
C11A C12A C13A C41A -178.4(4) . .
C12A C13A C14A C15A 0.0 . .
C41A C13A C14A C15A 178.2(4) . .
C13A C14A C15A C16A 0.0 . .
C13A C14A C15A C61A -177.8(4) . .
C14A C15A C16A C11A 0.0 . .
C61A C15A C16A C11A 177.6(5) . .
C12A C11A C16A C15A 0.0 . .
C21A C11A C16A C15A -175.9 . .
C12A C11A C21A C26A -49.6(6) . .
C16A C11A C21A C26A 125.8(6) . .
C12A C11A C21A C22A 120.5 . .
C16A C11A C21A C22A -64.1 . .
C26A C21A C22A C23A -7.0(6) . .
C11A C21A C22A C23A -177.1 . .
C26A C21A C22A C31A 166.2(8) . .
C11A C21A C22A C31A -3.9(5) . .
C21A C22A C23A C24A 3.9(7) . .
C31A C22A C23A C24A -169.5(9) . .
C22A C23A C24A C25A -1.0(15) . .
C23A C24A C25A C26A 2(2) . .
C24A C25A C26A C21A -5.0(19) . .
C22A C21A C26A C25A 7.4(13) . .
C11A C21A C26A C25A 178.7(9) . .
C21A C22A C31A C36A 135.3(7) . .
C23A C22A C31A C36A -51.0(9) . .
C21A C22A C31A C32A -47.2(10) . .
C23A C22A C31A C32A 126.5(7) . .
C36A C31A C32A C33A 4.4(13) . .
C22A C31A C32A C33A -173.1(7) . .
C31A C32A C33A C34A -2.0(13) . .
C32A C33A C34A C35A -0.7(12) . .
C32A C33A C34A C37A 175.9(7) . .
C33A C34A C35A C36A 1.0(13) . .
C37A C34A C35A C36A -175.6(8) . .
C32A C31A C36A C35A -4.2(14) . .
C22A C31A C36A C35A 173.4(8) . .
C34A C35A C36A C31A 1.6(14) . .
C33A C34A C37A O39A -173.9(7) . .
C35A C34A C37A O39A 2.6(11) . .
C33A C34A C37A O38A 4.9(11) . .
C35A C34A C37A O38A -178.6(7) . .
O39A C37A O38A Cd10 -45.8(10) . .
C34A C37A O38A Cd10 135.5(5) . .
O39A C37A O38A Cd12 91.8(8) . .
C34A C37A O38A Cd12 -86.9(7) . .
O59B Cd10 O38A C37A -39.2(5) . .
O23 Cd10 O38A C37A 179(14) . .
O22 Cd10 O38A C37A 153.7(5) . .
O2X Cd10 O38A C37A 49.3(5) . .
O78A Cd10 O38A C37A -129.6(5) . .
O59B Cd10 O38A Cd12 176.9(2) . .
O23 Cd10 O38A Cd12 35.1(6) . .
O22 Cd10 O38A Cd12 9.77(15) . .
O2X Cd10 O38A Cd12 -94.62(17) . .
O78A Cd10 O38A Cd12 86.46(17) . .
O59E Cd12 O38A C37A 43.8(4) . .
O24 Cd12 O38A C37A -70.6(4) . .
O22 Cd12 O38A C37A -157.9(4) . .
O2Y Cd12 O38A C37A -129(5) . .
O58A Cd12 O38A C37A 124.0(4) . .
O59E Cd12 O38A Cd10 -168.16(19) . .
O24 Cd12 O38A Cd10 77.42(17) . .
O22 Cd12 O38A Cd10 -9.84(15) . .
O2Y Cd12 O38A Cd10 19(6) . .
O58A Cd12 O38A Cd10 -87.89(17) . .
O38A C37A O39A Cd11 -23.3(10) . .
C34A C37A O39A Cd11 155.4(5) . .
O27 Cd11 O39A C37A -161.9(5) . .
O24 Cd11 O39A C37A -27.6(5) . .
O2X Cd11 O39A C37A 69.1(5) . .
O1F Cd11 O39A C37A 161.1(5) . .
O78E Cd11 O39A C37A -106.0(5) . .
C14A C13A C41A C42A 118.7(7) . .
C12A C13A C41A C42A -63.0(8) . .
C14A C13A C41A C46A -63.5(9) . .
C12A C13A C41A C46A 114.9(7) . .
C46A C41A C42A C43A -4.2(14) . .
C13A C41A C42A C43A 173.7(8) . .
C46A C41A C42A C51A 174.8(8) . .
C13A C41A C42A C51A -7.3(13) . .
C41A C42A C43A C44A 1.3(15) . .
C51A C42A C43A C44A -177.8(9) . .
C42A C43A C44A C45A 2.0(16) . .
C43A C44A C45A C46A -2.3(17) . .
C44A C45A C46A C41A -0.8(16) . .
C42A C41A C46A C45A 4.0(13) . .
C13A C41A C46A C45A -174.0(8) . .
C41A C42A C51A C56A 134.7(10) . .
C43A C42A C51A C56A -46.3(13) . .
C41A C42A C51A C52A -50.5(13) . .
C43A C42A C51A C52A 128.6(10) . .
C56A C51A C52A C53A 2.7(13) . .
C42A C51A C52A C53A -172.3(7) . .
C51A C52A C53A C54A -0.7(12) . .
C52A C53A C54A C55A -1.4(12) . .
C52A C53A C54A C57A 175.5(7) . .
C53A C54A C55A C56A 1.5(13) . .
C57A C54A C55A C56A -175.5(8) . .
C52A C51A C56A C55A -2.6(14) . .
C42A C51A C56A C55A 172.3(8) . .
C54A C55A C56A C51A 0.6(14) . .
C53A C54A C57A O59A -170.0(7) . .
C55A C54A C57A O59A 7.0(11) . .
C53A C54A C57A O58A 7.8(11) . .
C55A C54A C57A O58A -175.2(7) . .
O59A C57A O58A Cd12 -51.5(10) . .
C54A C57A O58A Cd12 130.8(5) . .
O59A C57A O58A Cd14 85.3(8) . .
C54A C57A O58A Cd14 -92.4(7) . .
O59E Cd12 O58A C57A -35.5(5) . .
O24 Cd12 O58A C57A 179.7(5) . .
O22 Cd12 O58A C57A 153.5(5) . .
O2Y Cd12 O58A C57A 52.0(5) . .
O38A Cd12 O58A C57A -129.6(5) . .
O59E Cd12 O58A Cd14 -179.5(2) . .
O24 Cd12 O58A Cd14 35.7(5) . .
O22 Cd12 O58A Cd14 9.42(15) . .
O2Y Cd12 O58A Cd14 -92.08(16) . .
O38A Cd12 O58A Cd14 86.34(16) . .
O39C Cd14 O58A C57A 45.3(5) . .
O25 Cd14 O58A C57A -67.9(4) . .
O22 Cd14 O58A C57A -156.3(5) . .
O2Z Cd14 O58A C57A -41(6) . .
O78A Cd14 O58A C57A 126.4(4) . .
O39C Cd14 O58A Cd12 -167.8(2) . .
O25 Cd14 O58A Cd12 79.02(16) . .
O22 Cd14 O58A Cd12 -9.40(15) . .
O2Z Cd14 O58A Cd12 106(6) . .
O78A Cd14 O58A Cd12 -86.70(16) . .
O58A C57A O59A Cd13 -18.3(10) . .
C54A C57A O59A Cd13 159.4(5) . .
O28 Cd13 O59A C57A -162.1(5) . .
O25 Cd13 O59A C57A -31.1(6) . .
O2Y Cd13 O59A C57A 65.2(6) . .
O1H Cd13 O59A C57A 157.5(6) . .
O58C Cd13 O59A C57A -107.9(5) . .
Cd7 Cd13 O59A C57A 150.5(5) . .
C16A C15A C61A C62A 118.6(9) . .
C14A C15A C61A C62A -63.7(10) . .
C16A C15A C61A C66A -58.6(10) . .
C14A C15A C61A C66A 119.1(8) . .
C66A C61A C62A C63A -4.4(16) . .
C15A C61A C62A C63A 178.4(9) . .
C66A C61A C62A C71A 170.6(9) . .
C15A C61A C62A C71A -6.6(15) . .
C61A C62A C63A C64A 5.4(17) . .
C71A C62A C63A C64A -170.0(10) . .
C62A C63A C64A C65A -3(2) . .
C63A C64A C65A C66A 0(2) . .
C64A C65A C66A C61A 1(2) . .
C62A C61A C66A C65A 1.1(17) . .
C15A C61A C66A C65A 178.6(10) . .
C61A C62A C71A C76A 136.8(10) . .
C63A C62A C71A C76A -47.8(13) . .
C61A C62A C71A C72A -52.0(13) . .
C63A C62A C71A C72A 123.4(10) . .
C76A C71A C72A C73A 1.3(12) . .
C62A C71A C72A C73A -170.2(7) . .
C71A C72A C73A C74A -0.6(12) . .
C72A C73A C74A C75A -1.0(11) . .
C72A C73A C74A C77A 174.8(7) . .
C73A C74A C75A C76A 1.9(12) . .
C77A C74A C75A C76A -173.8(7) . .
C72A C71A C76A C75A -0.4(13) . .
C62A C71A C76A C75A 170.9(8) . .
C74A C75A C76A C71A -1.2(13) . .
C73A C74A C77A O79A -170.2(7) . .
C75A C74A C77A O79A 5.5(11) . .
C73A C74A C77A O78A 8.6(10) . .
C75A C74A C77A O78A -175.8(7) . .
O79A C77A O78A Cd14 -55.3(9) . .
C74A C77A O78A Cd14 126.1(6) . .
O79A C77A O78A Cd10 87.6(8) . .
C74A C77A O78A Cd10 -91.1(7) . .
O39C Cd14 O78A C77A -34.4(6) . .
O25 Cd14 O78A C77A 178.3(5) . .
O22 Cd14 O78A C77A 158.1(6) . .
O2Z Cd14 O78A C77A 55.4(6) . .
O58A Cd14 O78A C77A -124.3(6) . .
O39C Cd14 O78A Cd10 176.9(2) . .
O25 Cd14 O78A Cd10 29.7(6) . .
O22 Cd14 O78A Cd10 9.43(15) . .
O2Z Cd14 O78A Cd10 -93.28(18) . .
O58A Cd14 O78A Cd10 87.05(17) . .
O59B Cd10 O78A C77A 40.8(5) . .
O23 Cd10 O78A C77A -73.4(5) . .
O22 Cd10 O78A C77A -161.3(5) . .
O2X Cd10 O78A C77A -27(5) . .
O38A Cd10 O78A C77A 121.2(5) . .
O59B Cd10 O78A Cd14 -167.4(2) . .
O23 Cd10 O78A Cd14 78.45(17) . .
O22 Cd10 O78A Cd14 -9.46(15) . .
O2X Cd10 O78A Cd14 125(4) . .
O38A Cd10 O78A Cd14 -87.01(17) . .
O78A C77A O79A Cd15 -15.1(9) . .
C74A C77A O79A Cd15 163.5(5) . .
O26 Cd15 O79A C77A -162.8(5) . .
O23 Cd15 O79A C77A -33.8(5) . .
O2Z Cd15 O79A C77A 63.0(5) . .
O1G Cd15 O79A C77A 152.7(5) . .
O78B Cd15 O79A C77A -110.5(5) . .
C16B C11B C12B C13B 0.0 . .
C21B C11B C12B C13B 175.4 . .
C11B C12B C13B C14B 0.0 . .
C11B C12B C13B C41B -178.0(6) . .
C12B C13B C14B C15B 0.0 . .
C41B C13B C14B C15B 178.0(6) . .
C13B C14B C15B C16B 0.0 . .
C13B C14B C15B C61B -178.8(5) . .
C14B C15B C16B C11B 0.0 . .
C61B C15B C16B C11B 178.8(5) . .
C12B C11B C16B C15B 0.0 . .
C21B C11B C16B C15B -175.2 . .
C12B C11B C21B C22B 61.9 . .
C16B C11B C21B C22B -122.7 . .
C12B C11B C21B C26B -116.2(6) . .
C16B C11B C21B C26B 59.1(6) . .
C26B C21B C22B C23B 6.1(6) . .
C11B C21B C22B C23B -172.0 . .
C26B C21B C22B C31B -168.9(7) . .
C11B C21B C22B C31B 12.9(4) . .
C21B C22B C23B C24B -3.3(6) . .
C31B C22B C23B C24B 172.1(7) . .
C22B C23B C24B C25B -3.2(12) . .
C23B C24B C25B C26B 6.8(16) . .
C24B C25B C26B C21B -3.9(17) . .
C22B C21B C26B C25B -2.6(12) . .
C11B C21B C26B C25B 175.6(8) . .
C21B C22B C31B C36B -129.8(7) . .
C23B C22B C31B C36B 54.9(9) . .
C21B C22B C31B C32B 57.9(9) . .
C23B C22B C31B C32B -117.3(7) . .
C36B C31B C32B C33B -2.2(13) . .
C22B C31B C32B C33B 170.3(7) . .
C31B C32B C33B C34B 3.0(13) . .
C32B C33B C34B C35B -1.3(12) . .
C32B C33B C34B C37B -179.3(7) . .
C33B C34B C35B C36B -1.2(12) . .
C37B C34B C35B C36B 176.8(8) . .
C32B C31B C36B C35B -0.1(14) . .
C22B C31B C36B C35B -172.3(7) . .
C34B C35B C36B C31B 1.9(14) . .
C33B C34B C37B O39B -156.4(7) . .
C35B C34B C37B O39B 25.7(11) . .
C33B C34B C37B O38B 22.1(11) . .
C35B C34B C37B O38B -155.8(7) . .
O39B C37B O38B Cd4 79.9(10) . .
C34B C37B O38B Cd4 -98.6(8) . .
O39B C37B O38B Cd5 -82.2(8) . 3_565
C34B C37B O38B Cd5 99.3(7) . 3_565
O29 Cd4 O38B C37B -174.4(7) . .
O3X Cd4 O38B C37B -68.4(7) . .
O23 Cd4 O38B C37B -99(2) . .
O58B Cd4 O38B C37B 18.6(7) . .
O78B Cd4 O38B C37B 101.3(7) . .
O29 Cd4 O38B Cd5 -10.23(17) . 3_565
O3X Cd4 O38B Cd5 95.8(3) . 3_565
O23 Cd4 O38B Cd5 65(2) . 3_565
O58B Cd4 O38B Cd5 -177.2(3) . 3_565
O78B Cd4 O38B Cd5 -94.55(19) . 3_565
O38B C37B O39B Cd1 -0.7(10) . .
C34B C37B O39B Cd1 177.8(5) . .
O39B Cd1 O39B C37B -176.6(6) 3_565 .
O4X Cd1 O39B C37B -92.1(6) . .
O4X Cd1 O39B C37B 57.3(5) 3_565 .
O3X Cd1 O39B C37B -40.7(6) . .
O3X Cd1 O39B C37B 90.0(6) 3_565 .
C12B C13B C41B C42B -115.6(10) . .
C14B C13B C41B C42B 66.4(12) . .
C12B C13B C41B C46B 67.9(12) . .
C14B C13B C41B C46B -110.1(10) . .
C46B C41B C42B C43B -0.7(19) . .
C13B C41B C42B C43B -177.3(10) . .
C46B C41B C42B C51B -174.0(11) . .
C13B C41B C42B C51B 9.5(17) . .
C41B C42B C43B C44B 1(2) . .
C51B C42B C43B C44B 174.9(12) . .
C42B C43B C44B C45B -2(2) . .
C43B C44B C45B C46B 2(3) . .
C44B C45B C46B C41B -1(2) . .
C42B C41B C46B C45B 1(2) . .
C13B C41B C46B C45B 177.4(12) . .
C41B C42B C51B C56B -133.5(13) . .
C43B C42B C51B C56B 52.8(16) . .
C41B C42B C51B C52B 45.1(17) . .
C43B C42B C51B C52B -128.6(12) . .
C56B C51B C52B C53B -2.9(17) . .
C42B C51B C52B C53B 178.4(10) . .
C51B C52B C53B C54B -3.4(18) . .
C52B C53B C54B C55B 6.2(16) . .
C52B C53B C54B C57B -178.3(10) . .
C53B C54B C55B C56B -2.8(16) . .
C57B C54B C55B C56B -178.2(10) . .
C52B C51B C56B C55B 6.4(18) . .
C42B C51B C56B C55B -175.0(11) . .
C54B C55B C56B C51B -3.5(18) . .
C53B C54B C57B O59B 171.0(9) . .
C55B C54B C57B O59B -13.7(14) . .
C53B C54B C57B O58B -5.4(14) . .
C55B C54B C57B O58B 169.9(10) . .
O59B C57B O58B Cd4 -33(3) . .
C54B C57B O58B Cd4 142.8(17) . .
O29 Cd4 O58B C57B -168.1(14) . .
O3X Cd4 O58B C57B -35(2) . .
O23 Cd4 O58B C57B 61(2) . .
O78B Cd4 O58B C57B 143(2) . .
O38B Cd4 O58B C57B -116(2) . .
O58B C57B O59B Cd10 -2.6(13) . .
C54B C57B O59B Cd10 -178.7(6) . .
O23 Cd10 O59B C57B -12.1(7) . .
O22 Cd10 O59B C57B -149.9(6) . .
O2X Cd10 O59B C57B 84.7(6) . .
O38A Cd10 O59B C57B -179.6(7) . .
O78A Cd10 O59B C57B -93.4(6) . .
C14B C15B C61B C62B -129.3(10) . .
C16B C15B C61B C62B 51.9(12) . .
C14B C15B C61B C66B 57.0(13) . .
C16B C15B C61B C66B -121.8(11) . .
C66B C61B C62B C63B -3(2) . .
C15B C61B C62B C63B -177.1(11) . .
C66B C61B C62B C71B -173.3(12) . .
C15B C61B C62B C71B 12.8(18) . .
C61B C62B C63B C64B 0(2) . .
C71B C62B C63B C64B 170.7(13) . .
C62B C63B C64B C65B 4(3) . .
C63B C64B C65B C66B -4(3) . .
C64B C65B C66B C61B 0(3) . .
C62B C61B C66B C65B 3(2) . .
C15B C61B C66B C65B 177.3(14) . .
C61B C62B C71B C76B -118.2(13) . .
C63B C62B C71B C76B 71.0(15) . .
C61B C62B C71B C72B 61.7(15) . .
C63B C62B C71B C72B -109.1(12) . .
C76B C71B C72B C73B -9.2(13) . .
C62B C71B C72B C73B 170.9(8) . .
C71B C72B C73B C74B 7.0(13) . .
C72B C73B C74B C75B -0.2(12) . .
C72B C73B C74B C77B -176.3(7) . .
C73B C74B C75B C76B -3.9(12) . .
C77B C74B C75B C76B 172.1(7) . .
C72B C71B C76B C75B 5.1(14) . .
C62B C71B C76B C75B -175.0(8) . .
C74B C75B C76B C71B 1.4(14) . .
C73B C74B C77B O79B -171.7(7) . .
C75B C74B C77B O79B 12.3(11) . .
C73B C74B C77B O78B 8.2(10) . .
C75B C74B C77B O78B -167.8(7) . .
O79B C77B O78B Cd4 71.3(10) . .
C74B C77B O78B Cd4 -108.6(7) . .
O79B C77B O78B Cd15 -82.8(8) . .
C74B C77B O78B Cd15 97.3(6) . .
O29 Cd4 O78B C77B -60.3(7) . .
O3X Cd4 O78B C77B 117.1(12) . .
O23 Cd4 O78B C77B -165.2(7) . .
O58B Cd4 O78B C77B 107.7(7) . .
O38B Cd4 O78B C77B 13.3(7) . .
O29 Cd4 O78B Cd15 97.12(17) . .
O3X Cd4 O78B Cd15 -85.4(11) . .
O23 Cd4 O78B Cd15 -7.79(16) . .
O58B Cd4 O78B Cd15 -94.8(2) . .
O38B Cd4 O78B Cd15 170.79(15) . .
O26 Cd15 O78B C77B 77.6(5) . .
O79A Cd15 O78B C77B -85.9(5) . .
O23 Cd15 O78B C77B 172.6(5) . .
O2Z Cd15 O78B C77B 127.0(8) . .
O1G Cd15 O78B C77B -0.1(5) . .
O26 Cd15 O78B Cd4 -87.15(17) . .
O79A Cd15 O78B Cd4 109.33(18) . .
O23 Cd15 O78B Cd4 7.82(16) . .
O2Z Cd15 O78B Cd4 -37.8(9) . .
O1G Cd15 O78B Cd4 -164.84(19) . .
O78B C77B O79B Cd16 -0.5(9) . .
C74B C77B O79B Cd16 179.5(5) . .
O26 Cd16 O79B C77B 54.0(5) . .
O21 Cd16 O79B C77B -179.5(4) 2_665 .
O29 Cd16 O79B C77B -41.2(5) . .
O79D Cd16 O79B C77B -125.3(5) 2_665 .
O38D Cd16 O79B C77B 144.5(5) 2_665 .
C16C C11C C12C C13C 0.0 . .
C21C C11C C12C C13C 175.5(10) . .
C21' C11C C12C C13C -177.7(11) . .
C11C C12C C13C C14C 0.0 . .
C11C C12C C13C C41C -175.6(7) . .
C12C C13C C14C C15C 0.0 . .
C41C C13C C14C C15C 175.7(6) . .
C13C C14C C15C C16C 0.0 . .
C13C C14C C15C C61C -177.9(7) . .
C14C C15C C16C C11C 0.0 . .
C61C C15C C16C C11C 177.9(7) . .
C12C C11C C16C C15C 0.0 . .
C21C C11C C16C C15C -174.4(12) . .
C21' C11C C16C C15C 178.1(9) . .
C12C C11C C21C C22C 78.6(15) . .
C16C C11C C21C C22C -106.5(14) . .
C21' C11C C21C C22C -86(4) . .
C12C C11C C21C C26C -107.3(12) . .
C16C C11C C21C C26C 67.6(17) . .
C21' C11C C21C C26C 88(4) . .
C26C C21C C22C C23C 0.0 . .
C11C C21C C22C C23C 174(2) . .
C26C C21C C22C C31C -173(2) . .
C11C C21C C22C C31C 1.1(19) . .
C21C C22C C23C C24C 0.0 . .
C31C C22C C23C C24C 173(2) . .
C22C C23C C24C C25C 0.0 . .
C23C C24C C25C C26C 0.0 . .
C24C C25C C26C C21C 0.0 . .
C22C C21C C26C C25C 0.0 . .
C11C C21C C26C C25C -174(2) . .
C12C C11C C21' C22' 58.3(15) . .
C16C C11C C21' C22' -119.6(10) . .
C21C C11C C21' C22' 77(4) . .
C12C C11C C21' C26' -114.2(12) . .
C16C C11C C21' C26' 67.9(13) . .
C21C C11C C21' C26' -96(4) . .
C26' C21' C22' C23' 0.0 . .
C11C C21' C22' C23' -172.5(17) . .
C26' C21' C22' C31C -179(2) . .
C11C C21' C22' C31C 8.1(16) . .
C21' C22' C23' C24' 0.0 . .
C31C C22' C23' C24' 179.5(18) . .
C22' C23' C24' C25' 0.0 . .
C23' C24' C25' C26' 0.0 . .
C24' C25' C26' C21' 0.0 . .
C22' C21' C26' C25' 0.0 . .
C11C C21' C26' C25' 172.6(17) . .
C21' C22' C31C C36C -139.9(14) . .
C23' C22' C31C C36C 41(2) . .
C21' C22' C31C C32C 53.7(19) . .
C23' C22' C31C C32C -125.7(12) . .
C21' C22' C31C C22C -90(5) . .
C23' C22' C31C C22C 90(5) . .
C23C C22C C31C C36C 48(2) . .
C21C C22C C31C C36C -139.3(13) . .
C23C C22C C31C C32C -133.2(15) . .
C21C C22C C31C C32C 39(2) . .
C23C C22C C31C C22' -90(5) . .
C21C C22C C31C C22' 82(4) . .
C36C C31C C32C C33C -0.1(19) . .
C22' C31C C32C C33C 167.7(13) . .
C22C C31C C32C C33C -178.9(16) . .
C31C C32C C33C C34C -3.1(18) . .
C32C C33C C34C C35C 3.1(15) . .
C32C C33C C34C C37C -178.4(9) . .
C33C C34C C35C C36C 0.1(15) . .
C37C C34C C35C C36C -178.5(9) . .
C32C C31C C36C C35C 3.3(19) . .
C22' C31C C36C C35C -162.5(16) . .
C22C C31C C36C C35C -177.8(15) . .
C34C C35C C36C C31C -3.3(18) . .
C33C C34C C37C O39C 169.3(9) . .
C35C C34C C37C O39C -12.2(13) . .
C33C C34C C37C O38C -7.2(13) . .
C35C C34C C37C O38C 171.3(10) . .
O39C C37C O38C Cd8 -23(3) . .
C34C C37C O38C Cd8 153.6(15) . .
O3Z Cd8 O38C C37C -45(2) . .
O25 Cd8 O38C C37C 48(2) . .
O31 Cd8 O38C C37C -170.0(13) . .
O58C Cd8 O38C C37C 131(2) . .
O78C Cd8 O38C C37C -126(2) . .
O38C C37C O39C Cd14 -3.4(13) . .
C34C C37C O39C Cd14 -179.5(6) . .
O25 Cd14 O39C C37C -12.6(7) . .
O22 Cd14 O39C C37C -153.0(6) . .
O2Z Cd14 O39C C37C 83.2(6) . .
O78A Cd14 O39C C37C 177.3(7) . .
O58A Cd14 O39C C37C -95.4(6) . .
C12C C13C C41C C42C -125.6(10) . .
C14C C13C C41C C42C 58.7(13) . .
C12C C13C C41C C46C 54.8(14) . .
C14C C13C C41C C46C -120.8(11) . .
C46C C41C C42C C43C 5.3(19) . .
C13C C41C C42C C43C -174.2(11) . .
C46C C41C C42C C51C -167.6(11) . .
C13C C41C C42C C51C 12.9(18) . .
C41C C42C C43C C44C -2.6(19) . .
C51C C42C C43C C44C 170.8(11) . .
C42C C43C C44C C45C -3(2) . .
C43C C44C C45C C46C 5(3) . .
C44C C45C C46C C41C -2(3) . .
C42C C41C C46C C45C -3(2) . .
C13C C41C C46C C45C 176.8(15) . .
C41C C42C C51C C56C -120.0(13) . .
C43C C42C C51C C56C 66.6(15) . .
C41C C42C C51C C52C 61.8(15) . .
C43C C42C C51C C52C -111.6(12) . .
C56C C51C C52C C53C -6.6(15) . .
C42C C51C C52C C53C 171.7(9) . .
C51C C52C C53C C54C 4.2(14) . .
C52C C53C C54C C55C 1.2(13) . .
C52C C53C C54C C57C -175.7(7) . .
C53C C54C C55C C56C -4.0(13) . .
C57C C54C C55C C56C 172.9(8) . .
C52C C51C C56C C55C 3.8(17) . .
C42C C51C C56C C55C -174.4(9) . .
C54C C55C C56C C51C 1.4(16) . .
C53C C54C C57C O59C -173.1(7) . .
C55C C54C C57C O59C 10.0(11) . .
C53C C54C C57C O58C 9.0(10) . .
C55C C54C C57C O58C -167.9(7) . .
O59C C57C O58C Cd8 75.6(9) . .
C54C C57C O58C Cd8 -106.7(7) . .
O59C C57C O58C Cd13 -76.4(9) . .
C54C C57C O58C Cd13 101.4(6) . .
O38C Cd8 O58C C57C 103.0(6) . .
O3Z Cd8 O58C C57C 122.7(12) . .
O25 Cd8 O58C C57C -167.0(6) . .
O31 Cd8 O58C C57C -63.3(6) . .
O78C Cd8 O58C C57C 8.8(6) . .
O38C Cd8 O58C Cd13 -99.3(3) . .
O3Z Cd8 O58C Cd13 -79.6(12) . .
O25 Cd8 O58C Cd13 -9.36(15) . .
O31 Cd8 O58C Cd13 94.34(16) . .
O78C Cd8 O58C Cd13 166.43(17) . .
O59A Cd13 O58C C57C -88.3(5) . .
O28 Cd13 O58C C57C 72.7(5) . .
O25 Cd13 O58C C57C 170.3(5) . .
O2Y Cd13 O58C C57C 141.2(9) . .
O1H Cd13 O58C C57C -4.9(5) . .
Cd7 Cd13 O58C C57C 39.4(5) . .
O59A Cd13 O58C Cd8 110.79(18) . .
O28 Cd13 O58C Cd8 -88.26(17) . .
O25 Cd13 O58C Cd8 9.42(15) . .
O2Y Cd13 O58C Cd8 -19.7(10) . .
O1H Cd13 O58C Cd8 -165.78(17) . .
Cd7 Cd13 O58C Cd8 -121.47(12) . .
O58C C57C O59C Cd18 -3.5(9) . .
C54C C57C O59C Cd18 178.8(5) . .
O28 Cd18 O59C C57C 52.3(5) . .
O21 Cd18 O59C C57C -177.9(4) . .
O31 Cd18 O59C C57C -44.2(5) . .
O38D Cd18 O59C C57C -127.5(5) . .
O58D Cd18 O59C C57C 141.2(5) . .
C16C C15C C61C C62C 61.9(14) . .
C14C C15C C61C C62C -120.2(11) . .
C16C C15C C61C C66C -112.4(12) . .
C14C C15C C61C C66C 65.5(14) . .
C66C C61C C62C C63C 5(2) . .
C15C C61C C62C C63C -169.8(12) . .
C66C C61C C62C C71C -169.0(12) . .
C15C C61C C62C C71C 16.6(19) . .
C61C C62C C63C C64C -2(2) . .
C71C C62C C63C C64C 171.7(12) . .
C62C C63C C64C C65C 0(2) . .
C63C C64C C65C C66C -1(3) . .
C64C C65C C66C C61C 3(3) . .
C62C C61C C66C C65C -5(2) . .
C15C C61C C66C C65C 169.5(15) . .
C61C C62C C71C C76C -129.8(13) . .
C63C C62C C71C C76C 56.2(15) . .
C61C C62C C71C C72C 57.5(16) . .
C63C C62C C71C C72C -116.5(12) . .
C76C C71C C72C C73C -2.4(15) . .
C62C C71C C72C C73C 170.3(9) . .
C71C C72C C73C C74C 2.2(14) . .
C72C C73C C74C C75C -1.5(14) . .
C72C C73C C74C C77C -176.1(8) . .
C73C C74C C75C C76C 1.1(15) . .
C77C C74C C75C C76C 175.7(9) . .
C72C C71C C76C C75C 2.0(16) . .
C62C C71C C76C C75C -170.6(10) . .
C74C C75C C76C C71C -1.3(16) . .
C73C C74C C77C O78C 15.4(13) . .
C75C C74C C77C O78C -159.2(9) . .
C73C C74C C77C O79C -159.7(8) . .
C75C C74C C77C O79C 25.7(12) . .
O79C C77C O78C Cd8 78.7(12) . .
C74C C77C O78C Cd8 -96.2(9) . .
O79C C77C O78C Cd9 -79.4(10) . 2_665
C74C C77C O78C Cd9 105.6(9) . 2_665
O38C Cd8 O78C C77C 18.8(9) . .
O3Z Cd8 O78C C77C -66.7(9) . .
O25 Cd8 O78C C77C -113.9(15) . .
O31 Cd8 O78C C77C -172.6(9) . .
O58C Cd8 O78C C77C 102.8(8) . .
O38C Cd8 O78C Cd9 179.6(3) . 2_665
O3Z Cd8 O78C Cd9 94.0(3) . 2_665
O25 Cd8 O78C Cd9 46.8(16) . 2_665
O31 Cd8 O78C Cd9 -11.83(18) . 2_665
O58C Cd8 O78C Cd9 -96.5(2) . 2_665
O78C C77C O79C Cd3 0.9(12) . .
C74C C77C O79C Cd3 176.1(5) . .
O79C Cd3 O79C C77C -178.2(8) 2_665 .
O4Z Cd3 O79C C77C -91.6(7) . .
O4Z Cd3 O79C C77C 55.7(7) 2_665 .
O3Z Cd3 O79C C77C -45.3(7) . .
O3Z Cd3 O79C C77C 94.2(7) 2_665 .
C16D C11D C12D C13D 0.0 . .
C21D C11D C12D C13D 179.7 . .
C11D C12D C13D C14D 0.0 . .
C11D C12D C13D C41D -177.9(4) . .
C12D C13D C14D C15D 0.0 . .
C41D C13D C14D C15D 177.9(4) . .
C13D C14D C15D C16D 0.0 . .
C13D C14D C15D C61D -175.7(4) . .
C14D C15D C16D C11D 0.0 . .
C61D C15D C16D C11D 175.6(5) . .
C12D C11D C16D C15D 0.0 . .
C21D C11D C16D C15D -179.8 . .
C12D C11D C21D C22D 124.3 . .
C16D C11D C21D C22D -55.9 . .
C12D C11D C21D C26D -59.5(5) . .
C16D C11D C21D C26D 120.2(5) . .
C26D C21D C22D C23D -3.9(5) . .
C11D C21D C22D C23D 172.2 . .
C26D C21D C22D C31D 170.5(6) . .
C11D C21D C22D C31D -13.4(4) . .
C21D C22D C23D C24D 2.0(6) . .
C31D C22D C23D C24D -172.7(7) . .
C22D C23D C24D C25D 0.8(11) . .
C23D C24D C25D C26D -1.5(15) . .
C24D C25D C26D C21D -0.5(14) . .
C22D C21D C26D C25D 3.2(10) . .
C11D C21D C26D C25D -173.2(7) . .
C21D C22D C31D C36D 136.9(6) . .
C23D C22D C31D C36D -48.4(8) . .
C21D C22D C31D C32D -48.9(8) . .
C23D C22D C31D C32D 125.8(6) . .
C36D C31D C32D C33D 0.3(11) . .
C22D C31D C32D C33D -173.9(6) . .
C31D C32D C33D C34D -0.1(11) . .
C32D C33D C34D C35D 0.2(11) . .
C32D C33D C34D C37D 174.2(6) . .
C33D C34D C35D C36D -0.4(11) . .
C37D C34D C35D C36D -174.5(7) . .
C32D C31D C36D C35D -0.5(12) . .
C22D C31D C36D C35D 173.7(6) . .
C34D C35D C36D C31D 0.6(12) . .
C33D C34D C37D O39D -172.5(6) . .
C35D C34D C37D O39D 1.7(10) . .
C33D C34D C37D O38D 6.0(10) . .
C35D C34D C37D O38D -179.8(6) . .
O39D C37D O38D Cd18 91.4(7) . .
C34D C37D O38D Cd18 -87.0(7) . .
O39D C37D O38D Cd16 -53.6(9) . 2_665
C34D C37D O38D Cd16 128.0(5) . 2_665
O28 Cd18 O38D C37D -142.5(11) . .
O59C Cd18 O38D C37D 35.7(5) . .
O21 Cd18 O38D C37D -163.1(5) . .
O31 Cd18 O38D C37D -73.0(5) . .
O58D Cd18 O38D C37D 120.6(5) . .
O28 Cd18 O38D Cd16 12.1(13) . 2_665
O59C Cd18 O38D Cd16 -169.65(19) . 2_665
O21 Cd18 O38D Cd16 -8.44(15) . 2_665
O31 Cd18 O38D Cd16 81.63(17) . 2_665
O58D Cd18 O38D Cd16 -84.79(16) . 2_665
O38D C37D O39D Cd9 -15.8(9) . 2_665
C34D C37D O39D Cd9 162.6(5) . 2_665
C12D C13D C41D C42D -59.8(9) . .
C14D C13D C41D C42D 122.4(8) . .
C12D C13D C41D C46D 122.6(7) . .
C14D C13D C41D C46D -55.3(9) . .
C46D C41D C42D C43D -6.2(15) . .
C13D C41D C42D C43D 176.2(9) . .
C46D C41D C42D C51D 168.3(8) . .
C13D C41D C42D C51D -9.3(14) . .
C41D C42D C43D C44D 7.0(16) . .
C51D C42D C43D C44D -167.8(10) . .
C42D C43D C44D C45D -5.1(18) . .
C43D C44D C45D C46D 3(2) . .
C44D C45D C46D C41D -1.8(19) . .
C42D C41D C46D C45D 3.5(16) . .
C13D C41D C46D C45D -178.8(10) . .
C41D C42D C51D C56D 136.4(10) . .
C43D C42D C51D C56D -48.9(13) . .
C41D C42D C51D C52D -52.2(12) . .
C43D C42D C51D C52D 122.6(10) . .
C56D C51D C52D C53D 1.6(12) . .
C42D C51D C52D C53D -170.0(7) . .
C51D C52D C53D C54D -2.6(11) . .
C52D C53D C54D C55D 2.5(11) . .
C52D C53D C54D C57D 175.5(7) . .
C53D C54D C55D C56D -1.4(12) . .
C57D C54D C55D C56D -174.3(7) . .
C52D C51D C56D C55D -0.5(13) . .
C42D C51D C56D C55D 170.9(8) . .
C54D C55D C56D C51D 0.4(13) . .
C53D C54D C57D O58D 5.4(10) . .
C55D C54D C57D O58D 178.3(7) . .
C53D C54D C57D O59D -171.4(7) . .
C55D C54D C57D O59D 1.5(10) . .
O59D C57D O58D Cd17 87.8(7) . 4_655
C54D C57D O58D Cd17 -88.8(7) . 4_655
O59D C57D O58D Cd18 -57.7(10) . .
C54D C57D O58D Cd18 125.7(6) . .
O28 Cd18 O58D C57D 65.6(6) . .
O59C Cd18 O58D C57D -35.2(6) . .
O21 Cd18 O58D C57D 160.8(6) . .
O31 Cd18 O58D C57D 165.9(6) . .
O38D Cd18 O58D C57D -121.8(6) . .
O28 Cd18 O58D Cd17 -85.47(16) . 4_655
O59C Cd18 O58D Cd17 173.68(19) . 4_655
O21 Cd18 O58D Cd17 9.67(15) . 4_655
O31 Cd18 O58D Cd17 14.8(7) . 4_655
O38D Cd18 O58D Cd17 87.07(16) . 4_655
O58D C57D O59D Cd7 -11.3(9) . .
C54D C57D O59D Cd7 165.3(5) . .
O28 Cd7 O59D C57D 50.3(5) . .
O30 Cd7 O59D C57D -43.3(5) 4_655 .
O4Y Cd7 O59D C57D 177.3(4) . .
O38E Cd7 O59D C57D -115.5(5) 4_655 .
O1H Cd7 O59D C57D 122.9(5) . .
Cd13 Cd7 O59D C57D 92.0(5) . .
C14D C15D C61D C62D -57.6(9) . .
C16D C15D C61D C62D 126.8(7) . .
C14D C15D C61D C66D 117.7(8) . .
C16D C15D C61D C66D -58.0(9) . .
C66D C61D C62D C63D -3.9(14) . .
C15D C61D C62D C63D 171.5(8) . .
C66D C61D C62D C71D 174.1(8) . .
C15D C61D C62D C71D -10.6(13) . .
C61D C62D C63D C64D 3.1(15) . .
C71D C62D C63D C64D -174.9(9) . .
C62D C63D C64D C65D -0.3(17) . .
C63D C64D C65D C66D -1.7(19) . .
C64D C65D C66D C61D 1.0(18) . .
C62D C61D C66D C65D 1.8(15) . .
C15D C61D C66D C65D -173.7(9) . .
C61D C62D C71D C76D 136.1(9) . .
C63D C62D C71D C76D -45.8(12) . .
C61D C62D C71D C72D -51.4(12) . .
C63D C62D C71D C72D 126.7(9) . .
C76D C71D C72D C73D -0.1(12) . .
C62D C71D C72D C73D -172.7(7) . .
C71D C72D C73D C74D -0.3(11) . .
C72D C73D C74D C75D 0.0(11) . .
C72D C73D C74D C77D 174.4(6) . .
C73D C74D C75D C76D 0.8(11) . .
C77D C74D C75D C76D -173.7(7) . .
C72D C71D C76D C75D 0.8(13) . .
C62D C71D C76D C75D 173.3(7) . .
C74D C75D C76D C71D -1.2(13) . .
C73D C74D C77D O78D -171.9(7) . .
C75D C74D C77D O78D 2.5(10) . .
C73D C74D C77D O79D 5.3(10) . .
C75D C74D C77D O79D 179.7(6) . .
O79D C77D O78D Cd5 -13.8(8) . 4_655
C74D C77D O78D Cd5 163.2(5) . 4_655
O78D C77D O79D Cd16 91.5(7) . 2_665
C74D C77D O79D Cd16 -85.5(7) . 2_665
O78D C77D O79D Cd17 -53.2(10) . 4_655
C74D C77D O79D Cd17 129.9(5) . 4_655
C16E C11E C12E C13E 0.0 . .
C21E C11E C12E C13E 177.6 . .
C11E C12E C13E C14E 0.0 . .
C11E C12E C13E C41$ -175.2(14) . .
C11E C12E C13E C41E 179.6(9) . .
C12E C13E C14E C15E 0.0 . .
C41$ C13E C14E C15E 176.3(10) . .
C41E C13E C14E C15E -179.6(11) . .
C13E C14E C15E C16E 0.0 . .
C13E C14E C15E C61E -172.4(6) . .
C14E C15E C16E C11E 0.0 . .
C61E C15E C16E C11E 172.7(6) . .
C12E C11E C16E C15E 0.0 . .
C21E C11E C16E C15E -177.5 . .
C12E C11E C21E C22E 67.3 . .
C16E C11E C21E C22E -115.2 . .
C12E C11E C21E C26E -112.6(8) . .
C16E C11E C21E C26E 64.9(8) . .
C26E C21E C22E C23E 6.4(8) . .
C11E C21E C22E C23E -173.5 . .
C26E C21E C22E C31E -171.0(10) . .
C11E C21E C22E C31E 9.1(5) . .
C21E C22E C23E C24E -2.7(8) . .
C31E C22E C23E C24E 174.8(10) . .
C22E C23E C24E C25E -3.5(17) . .
C23E C24E C25E C26E 6(2) . .
C24E C25E C26E C21E -2(3) . .
C22E C21E C26E C25E -4.1(18) . .
C11E C21E C26E C25E 175.8(12) . .
C21E C22E C31E C36E -123.2(8) . .
C23E C22E C31E C36E 59.3(10) . .
C21E C22E C31E C32E 64.9(10) . .
C23E C22E C31E C32E -112.7(8) . .
C36E C31E C32E C33E -0.9(14) . .
C22E C31E C32E C33E 171.1(7) . .
C31E C32E C33E C34E 1.0(13) . .
C32E C33E C34E C35E 0.1(12) . .
C32E C33E C34E C37E -178.3(7) . .
C33E C34E C35E C36E -1.4(13) . .
C37E C34E C35E C36E 177.0(8) . .
C32E C31E C36E C35E -0.4(16) . .
C22E C31E C36E C35E -172.3(8) . .
C34E C35E C36E C31E 1.5(15) . .
C33E C34E C37E O39E -163.2(7) . .
C35E C34E C37E O39E 18.4(11) . .
C33E C34E C37E O38E 18.6(11) . .
C35E C34E C37E O38E -159.7(7) . .
O39E C37E O38E Cd6 78.6(10) . .
C34E C37E O38E Cd6 -103.3(7) . .
O39E C37E O38E Cd7 -79.8(8) . 4_655
C34E C37E O38E Cd7 98.3(7) . 4_655
O30 Cd6 O38E C37E -172.2(7) . .
O58E Cd6 O38E C37E 24.7(7) . .
O24 Cd6 O38E C37E -104.2(18) . .
O3Y Cd6 O38E C37E -62.7(7) . .
O78E Cd6 O38E C37E 105.0(6) . .
O30 Cd6 O38E Cd7 -10.66(16) . 4_655
O58E Cd6 O38E Cd7 -173.8(2) . 4_655
O24 Cd6 O38E Cd7 57.3(18) . 4_655
O3Y Cd6 O38E Cd7 98.8(2) . 4_655
O78E Cd6 O38E Cd7 -93.47(18) . 4_655
O38E C37E O39E Cd2 -1.4(10) . .
C34E C37E O39E Cd2 -179.5(5) . .
O39E Cd2 O39E C37E -176.2(6) 4_655 .
O4Y Cd2 O39E C37E -87.8(6) . .
O4Y Cd2 O39E C37E 52.6(6) 4_655 .
O3Y Cd2 O39E C37E -42.8(6) . .
O3Y Cd2 O39E C37E 93.4(6) 4_655 .
C12E C13E C41E C42E -116.2(10) . .
C14E C13E C41E C42E 63.4(14) . .
C41$ C13E C41E C42E 75(4) . .
C12E C13E C41E C46E 68.5(15) . .
C14E C13E C41E C46E -111.9(12) . .
C41$ C13E C41E C46E -100(4) . .
C46E C41E C42E C43E 0.0 . .
C13E C41E C42E C43E -175.2(18) . .
C46E C41E C42E C51E -176(2) . .
C13E C41E C42E C51E 8.4(18) . .
C41E C42E C43E C44E 0.0 . .
C51E C42E C43E C44E 177(2) . .
C42E C43E C44E C45E 0.0 . .
C43E C44E C45E C46E 0.0 . .
C44E C45E C46E C41E 0.0 . .
C42E C41E C46E C45E 0.0 . .
C13E C41E C46E C45E 175.3(18) . .
C12E C13E C41$ C42$ -94.8(17) . .
C14E C13E C41$ C42$ 89.6(16) . .
C41E C13E C41$ C42$ -81(4) . .
C12E C13E C41$ C46$ 79(2) . .
C14E C13E C41$ C46$ -96.6(14) . .
C41E C13E C41$ C46$ 93(4) . .
C46$ C41$ C42$ C43$ 0.0 . .
C13E C41$ C42$ C43$ 173(2) . .
C46$ C41$ C42$ C51E 173(3) . .
C13E C41$ C42$ C51E -13(2) . .
C41$ C42$ C43$ C44$ 0.0 . .
C51E C42$ C43$ C44$ -173(3) . .
C42$ C43$ C44$ C45$ 0.0 . .
C43$ C44$ C45$ C46$ 0.0 . .
C44$ C45$ C46$ C41$ 0.0 . .
C42$ C41$ C46$ C45$ 0.0 . .
C13E C41$ C46$ C45$ -174(2) . .
C43E C42E C51E C56E 40(2) . .
C41E C42E C51E C56E -143.8(13) . .
C43E C42E C51E C52E -136.8(12) . .
C41E C42E C51E C52E 40(2) . .
C43E C42E C51E C42$ 88(7) . .
C41E C42E C51E C42$ -95(8) . .
C41$ C42$ C51E C56E -136.1(15) . .
C43$ C42$ C51E C56E 37(2) . .
C41$ C42$ C51E C52E 37(3) . .
C43$ C42$ C51E C52E -149.5(13) . .
C41$ C42$ C51E C42E 87(7) . .
C43$ C42$ C51E C42E -99(8) . .
C56E C51E C52E C53E -4.3(17) . .
C42E C51E C52E C53E 172.3(14) . .
C42$ C51E C52E C53E -177.5(18) . .
C51E C52E C53E C54E 1.1(16) . .
C52E C53E C54E C55E 1.5(14) . .
C52E C53E C54E C57E 179.5(9) . .
C53E C54E C55E C56E -0.8(15) . .
C57E C54E C55E C56E -178.8(9) . .
C52E C51E C56E C55E 5.1(18) . .
C42E C51E C56E C55E -171.3(16) . .
C42$ C51E C56E C55E 178.8(17) . .
C54E C55E C56E C51E -2.6(17) . .
C53E C54E C57E O59E 169.9(8) . .
C55E C54E C57E O59E -12.2(13) . .
C53E C54E C57E O58E -13.2(13) . .
C55E C54E C57E O58E 164.8(9) . .
O59E C57E O58E Cd6 -55.4(15) . .
C54E C57E O58E Cd6 127.9(8) . .
O30 Cd6 O58E C57E -162.1(7) . .
O24 Cd6 O58E C57E 83.2(10) . .
O3Y Cd6 O58E C57E -12.9(10) . .
O78E Cd6 O58E C57E 166.3(10) . .
O38E Cd6 O58E C57E -92.7(10) . .
O58E C57E O59E Cd12 0.2(11) . .
C54E C57E O59E Cd12 176.8(6) . .
O24 Cd12 O59E C57E -2.3(6) . .
O22 Cd12 O59E C57E -148.2(5) . .
O2Y Cd12 O59E C57E 95.6(6) . .
O58A Cd12 O59E C57E -170.5(6) . .
O38A Cd12 O59E C57E -84.2(6) . .
C14E C15E C61E C62E -128.4(9) . .
C16E C15E C61E C62E 59.0(12) . .
C14E C15E C61E C66E 53.1(13) . .
C16E C15E C61E C66E -119.5(10) . .
C66E C61E C62E C63E 3.3(19) . .
C15E C61E C62E C63E -175.2(10) . .
C66E C61E C62E C71E -169.1(11) . .
C15E C61E C62E C71E 12.3(17) . .
C61E C62E C63E C64E -1(2) . .
C71E C62E C63E C64E 172.1(11) . .
C62E C63E C64E C65E -3(2) . .
C63E C64E C65E C66E 3(3) . .
C64E C65E C66E C61E 0(3) . .
C62E C61E C66E C65E -3(2) . .
C15E C61E C66E C65E 175.7(14) . .
C61E C62E C71E C76E -125.9(12) . .
C63E C62E C71E C76E 61.2(15) . .
C61E C62E C71E C72E 59.2(15) . .
C63E C62E C71E C72E -113.7(12) . .
C76E C71E C72E C73E -6.3(16) . .
C62E C71E C72E C73E 168.9(9) . .
C71E C72E C73E C74E 4.2(15) . .
C72E C73E C74E C75E 1.2(13) . .
C72E C73E C74E C77E -177.3(8) . .
C73E C74E C75E C76E -4.2(13) . .
C77E C74E C75E C76E 174.2(8) . .
C72E C71E C76E C75E 3.3(16) . .
C62E C71E C76E C75E -171.7(9) . .
C74E C75E C76E C71E 2.0(15) . .
C73E C74E C77E O79E -171.3(7) . .
C75E C74E C77E O79E 10.3(11) . .
C73E C74E C77E O78E 10.1(11) . .
C75E C74E C77E O78E -168.3(7) . .
O79E C77E O78E Cd6 74.1(10) . .
C74E C77E O78E Cd6 -107.4(7) . .
O79E C77E O78E Cd11 -77.7(8) . .
C74E C77E O78E Cd11 100.8(6) . .
O30 Cd6 O78E C77E -61.6(6) . .
O58E Cd6 O78E C77E 109.3(7) . .
O24 Cd6 O78E C77E -163.9(7) . .
O3Y Cd6 O78E C77E 113.3(10) . .
O38E Cd6 O78E C77E 13.4(7) . .
O30 Cd6 O78E Cd11 95.00(17) . .
O58E Cd6 O78E Cd11 -94.1(2) . .
O24 Cd6 O78E Cd11 -7.37(15) . .
O3Y Cd6 O78E Cd11 -90.1(9) . .
O38E Cd6 O78E Cd11 170.00(15) . .
O27 Cd11 O78E C77E 73.0(5) . .
O39A Cd11 O78E C77E -90.9(5) . .
O24 Cd11 O78E C77E 169.4(5) . .
O2X Cd11 O78E C77E 120.2(10) . .
O1F Cd11 O78E C77E -4.4(5) . .
O27 Cd11 O78E Cd6 -89.13(16) . .
O39A Cd11 O78E Cd6 107.04(18) . .
O24 Cd11 O78E Cd6 7.35(15) . .
O2X Cd11 O78E Cd6 -41.8(10) . .
O1F Cd11 O78E Cd6 -166.44(17) . .
O78E C77E O79E Cd17 -2.2(9) . .
C74E C77E O79E Cd17 179.4(5) . .
O27 Cd17 O79E C77E 53.8(5) . .
O21 Cd17 O79E C77E -176.8(4) 4_655 .
O30 Cd17 O79E C77E -42.0(5) . .
O58D Cd17 O79E C77E -126.2(5) 4_655 .
O79D Cd17 O79E C77E 143.8(5) 4_655 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.633 0.051 0.017 38294 7669 '192(C3 H7 N O)'
2 0.250 0.250 0.750 880 316 '8(C3 H7 N O)'
3 0.750 0.750 0.250 880 318 '8(C3 H7 N O)'
