# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1525508'
_audit_update_record             
;
2017-01-04 deposited with the CCDC.
2017-03-13 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT084_1                   
;
PROBLEM: High wR2 Value (i.e. &gt; 0.25) ...................       0.47 Report
RESPONSE: This may be due to weak diffraction of the crystal.
;
_vrf_PLAT413_1                   
;
PROBLEM: Short Inter XH3 .. XHn     H40B   ..  H40B    ..       1.35 Ang.
RESPONSE: The short distance between the hydrogens is due to disorder in the C-alkyl tail of pyrogallol[4]arene.
;
_vrf_PLAT934_1                   
;
PROBLEM: Number of (Iobs-Icalc)/SigmaW &gt; 10 Outliers ....         31 Check
RESPONSE: This is due to low quality of crystal.
;
_vrf_DIFMN02_1                   
;
PROBLEM: The minimum difference density is < -0.1*ZMAX*1.00
RESPONSE: This may be due to weak diffraction of the crystal.
;
_vrf_THETM01_1                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: This may be due to the weak diffraction of the crystal and disorder in the structure.
;
_vrf_PLAT097_1                   
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       1.59 eA-3
RESPONSE: The reported electron density is may be due to disordered solvent molecules.
;
_vrf_PLAT098_1                   
;
PROBLEM: Large Reported Min.  (Negative) Residual Density      -1.33 eA-3
RESPONSE: The reported electron density is due to disorder in the C-alkyl tail of pyrogallol[4]arene.
;
_vrf_PLAT201_1                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          3 Report
RESPONSE: Due to disorder, part of C-alkyl tails of pyrogallol[4]arene were refined isotropically.
;
_vrf_PLAT241_1                   
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C58 Check
RESPONSE: this is due to disorder in the C-alkyl tail of pyrogallol[4]arene.
;
_vrf_PLAT242_1                   
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        N2S Check
RESPONSE: this is due to disorder in DMF ligand.
;
_vrf_PLAT412_1                   
;
PROBLEM: Short Intra XH3 .. XHn     H57B   ..  H59C    ..       1.77 Ang.
RESPONSE: The short distance between the hydrogens is due to disorder in the C-alkyl tail of pyrogallol[4]arene.
;
# Added during the CSD deposition process: Wednesday 04 January 2017 03:21 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'C-propylpyrogallol[4]arene, dimethylforamide, magnesium'
_chemical_name_common            'PgC3, DMF, Mg'
_chemical_formula_moiety         6(C40H36O12)4(C3H6NO)44O24Mg
_chemical_formula_sum            'C252 H240 Mg24 N4 O120'
_chemical_melting_point          ?

_exptl_crystal_description       block
_exptl_crystal_colour            green
_diffrn_ambient_temperature      100(2)
_chemical_formula_weight         5827.91

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

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

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

_cell_length_a                   28.2464(14)
_cell_length_b                   35.3404(15)
_cell_length_c                   21.6242(10)
_cell_angle_alpha                90
_cell_angle_beta                 118.889(2)
_cell_angle_gamma                90
_cell_volume                     18899.9(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9060
_cell_measurement_theta_min      3.19
_cell_measurement_theta_max      58.90
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.024
_exptl_crystal_F_000             6056
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    1.044
_shelx_estimated_absorpt_T_min   0.680
_shelx_estimated_absorpt_T_max   0.780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.685
_exptl_absorpt_correction_T_max  0.780
_exptl_absorpt_process_details   
;
 Data were corrected for decay and absorption using the program SADABS 
 (Sheldrick, G. M. (2003). SADABS. Version 2.10. University of
 Göttingen, Germany).
;
_exptl_absorpt_special_details   ?
_diffrn_radiation_probe          ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?

_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            131645
_diffrn_reflns_av_unetI/netI     0.0199
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.180
_diffrn_reflns_theta_max         59.196
_diffrn_reflns_theta_full        59.196
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             13823
_reflns_number_gt                10527
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 (Bruker AXS, 2008)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2008)'
_computing_data_reduction        'APEX2 (Bruker AXS, 2008)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'X-SEED, Barbour, 2001'
_computing_publication_material  'CIFTAB (Sheldrick, 2013)'
_refine_special_details          ', SQUEEZE'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13823
_refine_ls_number_parameters     901
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1615
_refine_ls_R_factor_gt           0.1374
_refine_ls_wR_factor_ref         0.4657
_refine_ls_wR_factor_gt          0.4177
_refine_ls_goodness_of_fit_ref   2.159
_refine_ls_restrained_S_all      2.159
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg5 Mg 0.27014(12) 0.5000 0.11522(14) 0.0531(7) Uani 1 2 d S T P . .
Mg2 Mg 0.58657(8) 0.70188(5) 0.50138(9) 0.0532(5) Uani 1 1 d . . . . .
Mg4 Mg 0.21278(9) 0.55395(5) 0.21443(10) 0.0576(6) Uani 1 1 d . . . . .
Mg6 Mg 0.44476(12) 0.5000 0.12916(16) 0.0614(8) Uani 1 2 d S T P . .
Mg7 Mg 0.57546(10) 0.55304(5) 0.23010(15) 0.0855(9) Uani 1 1 d . . . . .
Mg1 Mg 0.64370(12) 0.64874(9) 0.40277(12) 0.1016(11) Uani 1 1 d . . . . .
Mg3 Mg 0.28426(12) 0.64652(9) 0.39735(11) 0.1000(10) Uani 1 1 d . . . . .
O6 O 0.26244(15) 0.65755(9) 0.29413(18) 0.0501(9) Uani 1 1 d . . . . .
O4 O 0.42735(15) 0.72286(10) 0.42057(18) 0.0514(9) Uani 1 1 d . . . . .
O7 O 0.22595(16) 0.60929(9) 0.19915(19) 0.0506(9) Uani 1 1 d . . . . .
O13 O 0.78318(16) 0.61623(10) 0.62651(19) 0.0543(10) Uani 1 1 d . . . . .
O1 O 0.58842(16) 0.65809(10) 0.29876(18) 0.0541(10) Uani 1 1 d . . . . .
O8 O 0.24829(17) 0.54481(9) 0.1548(2) 0.0562(10) Uani 1 1 d . . . . .
O9 O 0.29910(17) 0.54242(9) 0.07732(19) 0.0539(10) Uani 1 1 d . . . . .
O19 O 0.81850(16) 0.56655(9) 0.7202(2) 0.0519(9) Uani 1 1 d . . . . .
O10 O 0.38913(16) 0.54259(10) 0.0849(2) 0.0554(10) Uani 1 1 d . . . . .
O3 O 0.51473(16) 0.72264(10) 0.42186(18) 0.0545(10) Uani 1 1 d . . . . .
O5 O 0.34583(16) 0.68098(11) 0.41538(18) 0.0571(10) Uani 1 1 d . . . . .
O12 O 0.55265(17) 0.60824(10) 0.2078(2) 0.0604(11) Uani 1 1 d . . . . .
O15 O 0.69031(17) 0.61617(10) 0.37809(19) 0.0579(10) Uani 1 1 d . . . . .
O2 O 0.59282(16) 0.68082(11) 0.41898(19) 0.0604(11) Uani 1 1 d . . . . .
O16 O 0.65582(18) 0.56644(10) 0.2875(2) 0.0633(11) Uani 1 1 d . . . . .
O18 O 0.7992(3) 0.5000 0.7620(3) 0.0652(16) Uani 1 2 d S T P . .
O2O O 0.62489(18) 0.75224(12) 0.4991(2) 0.0685(12) Uani 1 1 d . . . . .
O14 O 0.70014(19) 0.63718(13) 0.5026(2) 0.0713(13) Uani 1 1 d . . . . .
O11 O 0.49643(18) 0.54429(10) 0.1682(3) 0.0731(13) Uani 1 1 d . . . . .
O5O O 0.1962(3) 0.5000 0.0202(3) 0.0773(18) Uani 1 2 d S T P . .
O17 O 0.6040(2) 0.5000 0.2505(4) 0.0745(19) Uani 1 2 d S T P . .
O4O O 0.1348(2) 0.55658(14) 0.1256(3) 0.0877(15) Uani 1 1 d . . . . .
C20 C 0.2972(2) 0.61086(13) 0.0686(2) 0.0455(13) Uani 1 1 d . . . . .
C15 C 0.2834(2) 0.64509(12) 0.0897(2) 0.0417(12) Uani 1 1 d . . . . .
H15 H 0.2912 0.6683 0.0744 0.050 Uiso 1 1 calc R U . . .
C12 C 0.2991(2) 0.68201(13) 0.2902(3) 0.0451(13) Uani 1 1 d . . . . .
C17 C 0.2481(2) 0.61195(13) 0.1555(3) 0.0447(13) Uani 1 1 d . . . . .
C53 C 0.8217(3) 0.5000 0.7211(4) 0.0467(17) Uani 1 2 d S T P . .
C3 C 0.5482(2) 0.68179(13) 0.2933(3) 0.0460(13) Uani 1 1 d . . . . .
C1 C 0.4671(2) 0.71818(12) 0.2314(3) 0.0456(13) Uani 1 1 d . . . . .
H1 H 0.4382 0.7269 0.1880 0.055 Uiso 1 1 calc R U . . .
C22 C 0.4163(2) 0.64435(14) 0.0908(2) 0.0459(13) Uani 1 1 d . . . . .
H22 H 0.3977 0.6676 0.0729 0.055 Uiso 1 1 calc R U . . .
C6 C 0.4683(2) 0.72901(12) 0.2938(3) 0.0448(12) Uani 1 1 d . . . . .
O6O O 0.4564(4) 0.5000 0.0396(5) 0.104(3) Uani 1 2 d S T P . .
C9 C 0.3796(2) 0.72989(12) 0.2922(3) 0.0457(13) Uani 1 1 d . . . . .
C54 C 0.8342(2) 0.53445(13) 0.6993(3) 0.0464(13) Uani 1 1 d . . . . .
C23 C 0.3868(2) 0.61067(14) 0.0708(3) 0.0461(13) Uani 1 1 d . . . . .
C42 C 0.8262(2) 0.58445(14) 0.5660(3) 0.0509(14) Uani 1 1 d . . . . .
C8 C 0.3347(2) 0.71905(12) 0.2302(3) 0.0434(12) Uani 1 1 d . . . . .
H8 H 0.3317 0.7281 0.1870 0.052 Uiso 1 1 calc R U . . .
C52 C 0.8728(3) 0.5000 0.6398(4) 0.0465(17) Uani 1 2 d S T P . .
H52 H 0.8898 0.5000 0.6112 0.056 Uiso 1 2 calc R U P . .
C4 C 0.5504(2) 0.69234(15) 0.3576(3) 0.0507(14) Uani 1 1 d . . . . .
C14 C 0.2461(2) 0.68390(12) 0.1567(2) 0.0436(12) Uani 1 1 d . . . . .
H14 H 0.2152 0.6790 0.1659 0.052 Uiso 1 1 calc R U . . .
C7 C 0.4247(2) 0.75391(13) 0.2952(3) 0.0444(12) Uani 1 1 d . . . . .
H7 H 0.4418 0.7668 0.3422 0.053 Uiso 1 1 calc R U . . .
C43 C 0.7842(2) 0.60490(14) 0.5660(3) 0.0478(13) Uani 1 1 d . . . . .
C21 C 0.3251(2) 0.61035(13) 0.0239(3) 0.0448(13) Uani 1 1 d . . . . .
H21 H 0.3158 0.5856 -0.0015 0.054 Uiso 1 1 calc R U . . .
C19 C 0.2861(2) 0.57726(12) 0.0926(3) 0.0429(12) Uani 1 1 d . . . . .
C16 C 0.2589(2) 0.64614(12) 0.1319(2) 0.0423(12) Uani 1 1 d . . . . .
C13 C 0.2939(2) 0.69591(12) 0.2265(3) 0.0428(12) Uani 1 1 d . . . . .
C26 C 0.4984(2) 0.61123(14) 0.1621(3) 0.0495(13) Uani 1 1 d . . . . .
C11 C 0.3434(2) 0.69228(14) 0.3550(3) 0.0480(13) Uani 1 1 d . . . . .
C18 C 0.2612(2) 0.57763(13) 0.1349(3) 0.0486(13) Uani 1 1 d . . . . .
C10 C 0.3845(2) 0.71548(13) 0.3556(3) 0.0445(12) Uani 1 1 d . . . . .
C44 C 0.7394(2) 0.61654(15) 0.5016(3) 0.0544(14) Uani 1 1 d . . . . .
C41 C 0.8214(2) 0.57498(15) 0.5010(3) 0.0507(13) Uani 1 1 d . . . . .
H41 H 0.8498 0.5608 0.5007 0.061 Uiso 1 1 calc R U . . .
C48 C 0.7690(4) 0.5000 0.3616(4) 0.054(2) Uani 1 2 d S T P . .
H48 H 0.8074 0.5000 0.3877 0.065 Uiso 1 2 calc R U P . .
C27 C 0.4718(2) 0.64522(14) 0.1358(3) 0.0457(12) Uani 1 1 d . . . . .
C24 C 0.4137(2) 0.57664(14) 0.0979(3) 0.0479(13) Uani 1 1 d . . . . .
C55 C 0.8607(2) 0.53471(14) 0.6602(3) 0.0484(13) Uani 1 1 d . . . . .
C2 C 0.5066(2) 0.69496(13) 0.2295(3) 0.0452(13) Uani 1 1 d . . . . .
C5 C 0.5101(2) 0.71511(14) 0.3576(3) 0.0457(12) Uani 1 1 d . . . . .
C49 C 0.7418(2) 0.53477(15) 0.3430(3) 0.0508(13) Uani 1 1 d . . . . .
C46 C 0.7777(2) 0.58474(14) 0.4361(3) 0.0500(13) Uani 1 1 d . . . . .
C28 C 0.5038(2) 0.68245(13) 0.1602(3) 0.0479(13) Uani 1 1 d . . . . .
H28 H 0.5417 0.6765 0.1712 0.057 Uiso 1 1 calc R U . . .
C45 C 0.7365(2) 0.60604(14) 0.4380(3) 0.0501(13) Uani 1 1 d . . . . .
C32 C 0.2279(2) 0.71502(14) 0.1004(3) 0.0540(14) Uani 1 1 d . . . . .
H32A H 0.2234 0.7389 0.1211 0.065 Uiso 1 1 calc R U . . .
H32B H 0.2568 0.7191 0.0877 0.065 Uiso 1 1 calc R U . . .
C50 C 0.6863(3) 0.53441(15) 0.3070(3) 0.0546(14) Uani 1 1 d . . . . .
C25 C 0.4700(2) 0.57716(14) 0.1428(3) 0.0545(14) Uani 1 1 d . . . . .
C56 C 0.8735(2) 0.57232(14) 0.6356(3) 0.0503(13) Uani 1 1 d . . . . .
H56 H 0.8773 0.5919 0.6712 0.060 Uiso 1 1 calc R U . . .
C29 C 0.4054(2) 0.78559(13) 0.2390(3) 0.0545(15) Uani 1 1 d . . . . .
H29A H 0.3900 0.7738 0.1917 0.065 Uiso 1 1 calc R U . . .
H29B H 0.3760 0.7999 0.2410 0.065 Uiso 1 1 calc R U . . .
C51 C 0.6581(4) 0.5000 0.2864(5) 0.061(2) Uani 1 2 d S T P . .
O2I O 0.5494(3) 0.64698(15) 0.5011(4) 0.1042(18) Uani 1 1 d . . . . .
O5I O 0.3438(4) 0.5000 0.2175(4) 0.113(3) Uani 1 2 d S T P . .
O4I O 0.2946(3) 0.5492(2) 0.3046(3) 0.117(2) Uani 1 1 d . . . . .
C47 C 0.7722(3) 0.57252(16) 0.3658(3) 0.0560(14) Uani 1 1 d . . . . .
H47 H 0.7481 0.5917 0.3305 0.067 Uiso 1 1 calc R U . . .
C35 C 0.3049(3) 0.64139(16) -0.0336(3) 0.0616(16) Uani 1 1 d . . . . .
H35A H 0.3112 0.6665 -0.0107 0.074 Uiso 1 1 calc R U . . .
H35B H 0.3262 0.6401 -0.0588 0.074 Uiso 1 1 calc R U . . .
C38 C 0.4837(3) 0.71399(15) 0.1041(3) 0.0577(15) Uani 1 1 d . . . . .
H38A H 0.4820 0.7037 0.0605 0.069 Uiso 1 1 calc R U . . .
H38B H 0.4464 0.7208 0.0928 0.069 Uiso 1 1 calc R U . . .
C33 C 0.1755(3) 0.70656(16) 0.0335(3) 0.0680(18) Uani 1 1 d . . . . .
H33A H 0.1458 0.7043 0.0452 0.082 Uiso 1 1 calc R U . . .
H33B H 0.1789 0.6820 0.0140 0.082 Uiso 1 1 calc R U . . .
C60 C 0.9275(3) 0.57149(17) 0.6344(3) 0.0632(16) Uani 1 1 d . . . . .
H60A H 0.9256 0.5517 0.6008 0.076 Uiso 1 1 calc R U . . .
H60B H 0.9327 0.5961 0.6167 0.076 Uiso 1 1 calc R U . . .
O3I O 0.3333(3) 0.5993(2) 0.4052(4) 0.140(3) Uani 1 1 d . . . . .
C39 C 0.5169(3) 0.74937(18) 0.1239(4) 0.077(2) Uani 1 1 d . . . . .
H39A H 0.5196 0.7596 0.1682 0.093 Uiso 1 1 calc R U . . .
H39B H 0.5540 0.7431 0.1332 0.093 Uiso 1 1 calc R U . . .
C57 C 0.8254(3) 0.5733(2) 0.3629(4) 0.079(2) Uani 1 1 d . . . . .
H57A H 0.8516 0.5563 0.4000 0.094 Uiso 1 1 calc R U . . .
H57B H 0.8186 0.5632 0.3167 0.094 Uiso 1 1 calc R U . . .
O1O O 0.6902(3) 0.70041(17) 0.3976(4) 0.131(2) Uani 1 1 d . . . . .
O6I O 0.4410(4) 0.5000 0.2256(5) 0.118(3) Uani 1 2 d S T P . .
C30 C 0.4477(3) 0.81243(17) 0.2468(4) 0.0745(19) Uani 1 1 d . . . . .
H30A H 0.4767 0.7983 0.2434 0.089 Uiso 1 1 calc R U . . .
H30B H 0.4638 0.8238 0.2945 0.089 Uiso 1 1 calc R U . . .
N2S N 0.6244(3) 0.8033(2) 0.4349(4) 0.106(2) Uani 1 1 d . . . . .
C61 C 0.9760(3) 0.5638(2) 0.7055(4) 0.083(2) Uani 1 1 d . . . . .
H61A H 0.9792 0.5841 0.7388 0.099 Uiso 1 1 calc R U . . .
H61B H 0.9706 0.5395 0.7242 0.099 Uiso 1 1 calc R U . . .
C36 C 0.2451(3) 0.6375(2) -0.0869(4) 0.080(2) Uani 1 1 d . . . . .
H36A H 0.2383 0.6123 -0.1095 0.096 Uiso 1 1 calc R U . . .
H36B H 0.2234 0.6397 -0.0623 0.096 Uiso 1 1 calc R U . . .
O7O O 0.5837(4) 0.5514(2) 0.1334(4) 0.154(3) Uani 1 1 d . . . . .
O7I O 0.5616(5) 0.5509(2) 0.3197(5) 0.161(3) Uani 1 1 d . . . . .
O1I O 0.5992(5) 0.6002(2) 0.4127(6) 0.165(3) Uani 1 1 d . . . . .
C34 C 0.1614(4) 0.7372(2) -0.0222(4) 0.097(3) Uani 1 1 d . . . . .
H34A H 0.1274 0.7307 -0.0644 0.145 Uiso 1 1 calc R U . . .
H34B H 0.1572 0.7615 -0.0034 0.145 Uiso 1 1 calc R U . . .
H34C H 0.1903 0.7392 -0.0347 0.145 Uiso 1 1 calc R U . . .
O3O O 0.2341(4) 0.6984(2) 0.3906(5) 0.148(3) Uani 1 1 d . . . . .
C4S C 0.6155(4) 0.7687(2) 0.4427(5) 0.112(3) Uani 1 1 d . . . . .
C31 C 0.4281(4) 0.8438(2) 0.1927(5) 0.107(3) Uani 1 1 d . . . . .
H31A H 0.4584 0.8605 0.2013 0.161 Uiso 1 1 calc R U . . .
H31B H 0.4130 0.8329 0.1452 0.161 Uiso 1 1 calc R U . . .
H31C H 0.4001 0.8585 0.1964 0.161 Uiso 1 1 calc R U . . .
C62 C 1.0278(4) 0.5618(3) 0.7014(6) 0.109(3) Uani 1 1 d . . . . .
H62A H 1.0582 0.5568 0.7486 0.163 Uiso 1 1 calc R U . . .
H62B H 1.0252 0.5414 0.6692 0.163 Uiso 1 1 calc R U . . .
H62C H 1.0337 0.5859 0.6839 0.163 Uiso 1 1 calc R U . . .
C6S C 0.6129(5) 0.8190(3) 0.3651(7) 0.146(5) Uani 1 1 d . . . . .
H6S1 H 0.6224 0.8459 0.3703 0.218 Uiso 1 1 calc R U . . .
H6S2 H 0.6342 0.8054 0.3476 0.218 Uiso 1 1 calc R U . . .
H6S3 H 0.5743 0.8161 0.3315 0.218 Uiso 1 1 calc R U . . .
C37 C 0.2287(5) 0.6667(4) -0.1408(7) 0.157(5) Uani 1 1 d . . . . .
H37A H 0.1902 0.6639 -0.1746 0.236 Uiso 1 1 calc R U . . .
H37B H 0.2350 0.6917 -0.1185 0.236 Uiso 1 1 calc R U . . .
H37C H 0.2499 0.6643 -0.1655 0.236 Uiso 1 1 calc R U . . .
C58 C 0.8493(11) 0.6101(7) 0.3724(13) 0.250 Uiso 1 1 d D U . . .
H58A H 0.8834 0.6130 0.4174 0.300 Uiso 1 1 calc R U . . .
H58B H 0.8241 0.6311 0.3660 0.300 Uiso 1 1 calc R U . . .
C5S C 0.6411(10) 0.8277(7) 0.4942(13) 0.250 Uiso 1 1 d . U . . .
H5S1 H 0.6465 0.8533 0.4814 0.375 Uiso 1 1 calc R U . . .
H5S2 H 0.6132 0.8282 0.5087 0.375 Uiso 1 1 calc R U . . .
H5S3 H 0.6750 0.8183 0.5333 0.375 Uiso 1 1 calc R U . . .
C40 C 0.4944(7) 0.7788(4) 0.0689(7) 0.177(6) Uani 1 1 d . . . . .
H40A H 0.5178 0.8012 0.0848 0.266 Uiso 1 1 calc R U . . .
H40B H 0.4924 0.7692 0.0253 0.266 Uiso 1 1 calc R U . . .
H40C H 0.4581 0.7857 0.0602 0.266 Uiso 1 1 calc R U . . .
C59 C 0.8583(10) 0.6036(7) 0.3055(13) 0.250 Uiso 1 1 d D U . . .
H59A H 0.8755 0.6260 0.2983 0.375 Uiso 1 1 calc R U . . .
H59B H 0.8816 0.5815 0.3138 0.375 Uiso 1 1 calc R U . . .
H59C H 0.8233 0.5993 0.2633 0.375 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mg5 O8 2.033(4) . ?
Mg5 O8 2.033(4) 6_565 ?
Mg5 O9 2.058(4) . ?
Mg5 O9 2.058(4) 6_565 ?
Mg5 O5O 2.107(7) . ?
Mg5 O5I 2.185(8) . ?
Mg5 C18 2.806(5) 6_565 ?
Mg5 C18 2.806(5) . ?
Mg5 C19 2.848(5) . ?
Mg5 C19 2.848(5) 6_565 ?
Mg2 O2 2.016(4) . ?
Mg2 O5 2.027(4) 2_656 ?
Mg2 O4 2.048(4) 2_656 ?
Mg2 O3 2.060(4) . ?
Mg2 O2O 2.096(5) . ?
Mg2 O2I 2.205(6) . ?
Mg2 C11 2.782(5) 2_656 ?
Mg2 C4 2.786(6) . ?
Mg2 C10 2.833(5) 2_656 ?
Mg2 C5 2.839(5) . ?
Mg4 O8 2.005(5) . ?
Mg4 O18 2.044(3) 5_666 ?
Mg4 O19 2.046(4) 2_656 ?
Mg4 O7 2.047(4) . ?
Mg4 O4O 2.111(5) . ?
Mg4 O4I 2.195(6) . ?
Mg4 C18 2.795(6) . ?
Mg4 C53 2.800(6) 5_666 ?
Mg4 C17 2.837(6) . ?
Mg4 C54 2.847(6) 2_656 ?
Mg6 O11 2.025(4) 6_565 ?
Mg6 O11 2.025(4) . ?
Mg6 O10 2.049(4) 6_565 ?
Mg6 O10 2.049(4) . ?
Mg6 O6O 2.116(10) . ?
Mg6 O6I 2.139(9) . ?
Mg6 C25 2.798(5) 6_565 ?
Mg6 C25 2.798(5) . ?
Mg6 C24 2.827(5) 6_565 ?
Mg6 C24 2.827(5) . ?
Mg7 O11 1.996(5) . ?
Mg7 O17 2.004(3) . ?
Mg7 O12 2.038(4) . ?
Mg7 O16 2.048(5) . ?
Mg7 O7I 2.155(9) . ?
Mg7 O7O 2.215(10) . ?
Mg7 C51 2.774(7) . ?
Mg7 C25 2.780(6) . ?
Mg7 C50 2.823(7) . ?
Mg7 C26 2.835(6) . ?
Mg1 O2 1.990(5) . ?
Mg1 O15 2.005(5) . ?
Mg1 O14 2.011(4) . ?
Mg1 O1 2.053(4) . ?
Mg1 O1I 2.197(10) . ?
Mg1 O1O 2.284(8) . ?
Mg1 C44 2.754(6) . ?
Mg1 C4 2.790(6) . ?
Mg1 C45 2.793(6) . ?
Mg1 C3 2.841(6) . ?
Mg3 O5 2.001(4) . ?
Mg3 O14 2.015(4) 2_656 ?
Mg3 O13 2.023(5) 2_656 ?
Mg3 O6 2.046(4) . ?
Mg3 O3I 2.122(9) . ?
Mg3 O3O 2.278(9) . ?
Mg3 C11 2.778(6) . ?
Mg3 C44 2.783(6) 2_656 ?
Mg3 C43 2.831(6) 2_656 ?
Mg3 C12 2.839(6) . ?
O6 C12 1.383(7) . ?
O4 C10 1.365(6) . ?
O4 Mg2 2.048(4) 2_656 ?
O7 C17 1.365(7) . ?
O13 C43 1.382(7) . ?
O13 Mg3 2.023(5) 2_656 ?
O1 C3 1.370(7) . ?
O8 C18 1.348(6) . ?
O9 C19 1.370(6) . ?
O19 C54 1.371(6) . ?
O19 Mg4 2.046(4) 2_656 ?
O10 C24 1.349(6) . ?
O3 C5 1.358(7) . ?
O5 C11 1.335(7) . ?
O5 Mg2 2.027(4) 2_656 ?
O12 C26 1.368(7) . ?
O15 C45 1.371(7) . ?
O2 C4 1.352(6) . ?
O16 C50 1.360(7) . ?
O18 C53 1.313(10) . ?
O18 Mg4 2.044(3) 2_656 ?
O18 Mg4 2.044(3) 5_666 ?
O2O C4S 1.258(11) . ?
O14 C44 1.335(7) . ?
O14 Mg3 2.015(4) 2_656 ?
O11 C25 1.346(7) . ?
O17 C51 1.337(11) . ?
O17 Mg7 2.004(3) 6_565 ?
C20 C19 1.391(7) . ?
C20 C15 1.412(7) . ?
C20 C21 1.513(8) . ?
C15 C16 1.386(8) . ?
C15 H15 0.9500 . ?
C12 C13 1.400(8) . ?
C12 C11 1.402(7) . ?
C17 C16 1.402(7) . ?
C17 C18 1.402(7) . ?
C53 C54 1.410(6) . ?
C53 C54 1.410(6) 6_565 ?
C53 Mg4 2.800(6) 2_656 ?
C53 Mg4 2.800(6) 5_666 ?
C3 C2 1.391(7) . ?
C3 C4 1.410(8) . ?
C1 C6 1.388(8) . ?
C1 C2 1.402(8) . ?
C1 H1 0.9500 . ?
C22 C27 1.389(8) . ?
C22 C23 1.396(7) . ?
C22 H22 0.9500 . ?
C6 C5 1.402(7) . ?
C6 C7 1.525(8) . ?
C9 C8 1.381(7) . ?
C9 C10 1.404(8) . ?
C9 C7 1.507(8) . ?
C54 C55 1.372(8) . ?
C54 Mg4 2.847(6) 2_656 ?
C23 C24 1.391(7) . ?
C23 C21 1.537(8) . ?
C42 C41 1.385(8) . ?
C42 C43 1.389(8) . ?
C42 C56 1.514(8) . ?
C8 C13 1.385(8) . ?
C8 H8 0.9500 . ?
C52 C55 1.401(7) . ?
C52 C55 1.401(7) 6_565 ?
C52 H52 0.9500 . ?
C4 C5 1.394(8) . ?
C14 C13 1.521(7) . ?
C14 C32 1.533(7) . ?
C14 C16 1.545(7) . ?
C14 H14 1.0000 . ?
C7 C29 1.545(7) . ?
C7 H7 1.0000 . ?
C43 C44 1.417(8) . ?
C43 Mg3 2.831(6) 2_656 ?
C21 C35 1.546(7) . ?
C21 H21 1.0000 . ?
C19 C18 1.396(8) . ?
C26 C27 1.385(7) . ?
C26 C25 1.394(8) . ?
C11 C10 1.418(8) . ?
C11 Mg2 2.782(5) 2_656 ?
C10 Mg2 2.833(5) 2_656 ?
C44 C45 1.389(8) . ?
C44 Mg3 2.783(6) 2_656 ?
C41 C46 1.392(8) . ?
C41 H41 0.9500 . ?
C48 C49 1.401(7) 6_565 ?
C48 C49 1.402(7) . ?
C48 H48 0.9500 . ?
C27 C28 1.539(7) . ?
C24 C25 1.407(8) . ?
C55 C56 1.538(7) . ?
C2 C28 1.526(8) . ?
C49 C50 1.373(9) . ?
C49 C47 1.533(8) . ?
C46 C45 1.402(8) . ?
C46 C47 1.515(8) . ?
C28 C38 1.540(7) . ?
C28 H28 1.0000 . ?
C32 C33 1.518(8) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C50 C51 1.404(7) . ?
C56 C60 1.541(9) . ?
C56 H56 1.0000 . ?
C29 C30 1.470(9) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C51 C50 1.404(7) 6_565 ?
C51 Mg7 2.774(7) 6_565 ?
C47 C57 1.535(10) . ?
C47 H47 1.0000 . ?
C35 C36 1.524(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C38 C39 1.497(9) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C33 C34 1.524(9) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C60 C61 1.510(9) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C39 C40 1.474(15) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C57 C58 1.43(2) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C30 C31 1.511(10) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
N2S C4S 1.276(11) . ?
N2S C5S 1.42(2) . ?
N2S C6S 1.490(15) . ?
C61 C62 1.508(12) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C36 C37 1.455(13) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C6S H6S1 0.9800 . ?
C6S H6S2 0.9800 . ?
C6S H6S3 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C58 C59 1.601(17) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C5S H5S1 0.9800 . ?
C5S H5S2 0.9800 . ?
C5S H5S3 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O8 Mg5 O8 102.3(2) . 6_565 ?
O8 Mg5 O9 81.97(15) . . ?
O8 Mg5 O9 174.3(2) 6_565 . ?
O8 Mg5 O9 174.3(2) . 6_565 ?
O8 Mg5 O9 81.97(15) 6_565 6_565 ?
O9 Mg5 O9 93.5(2) . 6_565 ?
O8 Mg5 O5O 92.94(19) . . ?
O8 Mg5 O5O 92.94(19) 6_565 . ?
O9 Mg5 O5O 90.51(19) . . ?
O9 Mg5 O5O 90.51(19) 6_565 . ?
O8 Mg5 O5I 84.7(2) . . ?
O8 Mg5 O5I 84.7(2) 6_565 . ?
O9 Mg5 O5I 92.0(2) . . ?
O9 Mg5 O5I 92.0(2) 6_565 . ?
O5O Mg5 O5I 176.3(4) . . ?
O8 Mg5 C18 129.07(19) . 6_565 ?
O8 Mg5 C18 26.74(16) 6_565 6_565 ?
O9 Mg5 C18 148.7(2) . 6_565 ?
O9 Mg5 C18 55.26(16) 6_565 6_565 ?
O5O Mg5 C18 91.64(13) . 6_565 ?
O5I Mg5 C18 87.59(14) . 6_565 ?
O8 Mg5 C18 26.74(16) . . ?
O8 Mg5 C18 129.07(19) 6_565 . ?
O9 Mg5 C18 55.26(16) . . ?
O9 Mg5 C18 148.7(2) 6_565 . ?
O5O Mg5 C18 91.64(13) . . ?
O5I Mg5 C18 87.59(14) . . ?
C18 Mg5 C18 155.8(3) 6_565 . ?
O8 Mg5 C19 55.32(15) . . ?
O8 Mg5 C19 157.62(19) 6_565 . ?
O9 Mg5 C19 26.74(15) . . ?
O9 Mg5 C19 120.23(19) 6_565 . ?
O5O Mg5 C19 89.82(13) . . ?
O5I Mg5 C19 91.24(14) . . ?
C18 Mg5 C19 175.3(2) 6_565 . ?
C18 Mg5 C19 28.58(16) . . ?
O8 Mg5 C19 157.62(19) . 6_565 ?
O8 Mg5 C19 55.32(15) 6_565 6_565 ?
O9 Mg5 C19 120.24(19) . 6_565 ?
O9 Mg5 C19 26.75(15) 6_565 6_565 ?
O5O Mg5 C19 89.82(13) . 6_565 ?
O5I Mg5 C19 91.24(14) . 6_565 ?
C18 Mg5 C19 28.58(16) 6_565 6_565 ?
C18 Mg5 C19 175.3(2) . 6_565 ?
C19 Mg5 C19 147.0(2) . 6_565 ?
O2 Mg2 O5 101.72(18) . 2_656 ?
O2 Mg2 O4 174.71(19) . 2_656 ?
O5 Mg2 O4 82.75(16) 2_656 2_656 ?
O2 Mg2 O3 82.26(16) . . ?
O5 Mg2 O3 175.2(2) 2_656 . ?
O4 Mg2 O3 93.15(16) 2_656 . ?
O2 Mg2 O2O 91.5(2) . . ?
O5 Mg2 O2O 93.13(19) 2_656 . ?
O4 Mg2 O2O 91.06(18) 2_656 . ?
O3 Mg2 O2O 89.41(18) . . ?
O2 Mg2 O2I 85.3(2) . . ?
O5 Mg2 O2I 85.7(2) 2_656 . ?
O4 Mg2 O2I 92.3(2) 2_656 . ?
O3 Mg2 O2I 92.0(2) . . ?
O2O Mg2 O2I 176.3(2) . . ?
O2 Mg2 C11 128.53(18) . 2_656 ?
O5 Mg2 C11 26.81(16) 2_656 2_656 ?
O4 Mg2 C11 55.97(16) 2_656 2_656 ?
O3 Mg2 C11 149.11(19) . 2_656 ?
O2O Mg2 C11 91.87(17) . 2_656 ?
O2I Mg2 C11 88.7(2) . 2_656 ?
O2 Mg2 C4 27.11(16) . . ?
O5 Mg2 C4 128.83(18) 2_656 . ?
O4 Mg2 C4 148.34(17) 2_656 . ?
O3 Mg2 C4 55.19(16) . . ?
O2O Mg2 C4 89.53(18) . . ?
O2I Mg2 C4 88.5(2) . . ?
C11 Mg2 C4 155.64(19) 2_656 . ?
O2 Mg2 C10 157.76(17) . 2_656 ?
O5 Mg2 C10 56.04(15) 2_656 2_656 ?
O4 Mg2 C10 26.82(15) 2_656 2_656 ?
O3 Mg2 C10 119.94(17) . 2_656 ?
O2O Mg2 C10 90.10(17) . 2_656 ?
O2I Mg2 C10 92.2(2) . 2_656 ?
C11 Mg2 C10 29.23(16) 2_656 2_656 ?
C4 Mg2 C10 175.12(17) . 2_656 ?
O2 Mg2 C5 55.80(16) . . ?
O5 Mg2 C5 157.52(18) 2_656 . ?
O4 Mg2 C5 119.71(17) 2_656 . ?
O3 Mg2 C5 26.59(16) . . ?
O2O Mg2 C5 87.87(17) . . ?
O2I Mg2 C5 91.9(2) . . ?
C11 Mg2 C5 175.67(18) 2_656 . ?
C4 Mg2 C5 28.68(17) . . ?
C10 Mg2 C5 146.44(17) 2_656 . ?
O8 Mg4 O18 101.9(2) . 5_666 ?
O8 Mg4 O19 175.19(19) . 2_656 ?
O18 Mg4 O19 81.43(19) 5_666 2_656 ?
O8 Mg4 O7 82.17(16) . . ?
O18 Mg4 O7 175.1(2) 5_666 . ?
O19 Mg4 O7 94.39(16) 2_656 . ?
O8 Mg4 O4O 92.8(2) . . ?
O18 Mg4 O4O 92.4(3) 5_666 . ?
O19 Mg4 O4O 90.6(2) 2_656 . ?
O7 Mg4 O4O 90.12(19) . . ?
O8 Mg4 O4I 85.4(2) . . ?
O18 Mg4 O4I 86.4(3) 5_666 . ?
O19 Mg4 O4I 91.4(2) 2_656 . ?
O7 Mg4 O4I 91.2(2) . . ?
O4O Mg4 O4I 177.5(3) . . ?
O8 Mg4 C18 26.69(14) . . ?
O18 Mg4 C18 128.5(2) 5_666 . ?
O19 Mg4 C18 149.76(16) 2_656 . ?
O7 Mg4 C18 55.48(15) . . ?
O4O Mg4 C18 91.9(2) . . ?
O4I Mg4 C18 87.2(2) . . ?
O8 Mg4 C53 127.79(16) . 5_666 ?
O18 Mg4 C53 25.95(19) 5_666 5_666 ?
O19 Mg4 C53 55.51(15) 2_656 5_666 ?
O7 Mg4 C53 149.88(18) . 5_666 ?
O4O Mg4 C53 91.3(2) . 5_666 ?
O4I Mg4 C53 88.6(3) . 5_666 ?
C18 Mg4 C53 154.44(17) . 5_666 ?
O8 Mg4 C17 55.52(15) . . ?
O18 Mg4 C17 157.3(2) 5_666 . ?
O19 Mg4 C17 121.09(16) 2_656 . ?
O7 Mg4 C17 26.70(15) . . ?
O4O Mg4 C17 89.9(2) . . ?
O4I Mg4 C17 90.4(2) . . ?
C18 Mg4 C17 28.83(15) . . ?
C53 Mg4 C17 176.41(17) 5_666 . ?
O8 Mg4 C54 156.68(15) . 2_656 ?
O18 Mg4 C54 54.86(19) 5_666 2_656 ?
O19 Mg4 C54 26.65(14) 2_656 2_656 ?
O7 Mg4 C54 121.03(16) . 2_656 ?
O4O Mg4 C54 89.7(2) . 2_656 ?
O4I Mg4 C54 91.3(2) . 2_656 ?
C18 Mg4 C54 176.14(16) . 2_656 ?
C53 Mg4 C54 28.91(15) 5_666 2_656 ?
C17 Mg4 C54 147.73(16) . 2_656 ?
O11 Mg6 O11 101.2(3) 6_565 . ?
O11 Mg6 O10 82.11(16) 6_565 6_565 ?
O11 Mg6 O10 176.4(2) . 6_565 ?
O11 Mg6 O10 176.4(2) 6_565 . ?
O11 Mg6 O10 82.11(16) . . ?
O10 Mg6 O10 94.5(2) 6_565 . ?
O11 Mg6 O6O 89.0(2) 6_565 . ?
O11 Mg6 O6O 89.0(2) . . ?
O10 Mg6 O6O 89.7(2) 6_565 . ?
O10 Mg6 O6O 89.7(2) . . ?
O11 Mg6 O6I 87.6(3) 6_565 . ?
O11 Mg6 O6I 87.6(3) . . ?
O10 Mg6 O6I 93.9(2) 6_565 . ?
O10 Mg6 O6I 93.9(2) . . ?
O6O Mg6 O6I 174.7(4) . . ?
O11 Mg6 C25 26.79(17) 6_565 6_565 ?
O11 Mg6 C25 127.9(2) . 6_565 ?
O10 Mg6 C25 55.40(16) 6_565 6_565 ?
O10 Mg6 C25 149.8(2) . 6_565 ?
O6O Mg6 C25 87.27(16) . 6_565 ?
O6I Mg6 C25 91.56(16) . 6_565 ?
O11 Mg6 C25 127.9(2) 6_565 . ?
O11 Mg6 C25 26.78(17) . . ?
O10 Mg6 C25 149.8(2) 6_565 . ?
O10 Mg6 C25 55.40(16) . . ?
O6O Mg6 C25 87.27(16) . . ?
O6I Mg6 C25 91.56(16) . . ?
C25 Mg6 C25 154.1(3) 6_565 . ?
O11 Mg6 C24 55.75(16) 6_565 6_565 ?
O11 Mg6 C24 156.7(2) . 6_565 ?
O10 Mg6 C24 26.48(16) 6_565 6_565 ?
O10 Mg6 C24 120.84(19) . 6_565 ?
O6O Mg6 C24 87.08(15) . 6_565 ?
O6I Mg6 C24 94.41(15) . 6_565 ?
C25 Mg6 C24 28.97(16) 6_565 6_565 ?
C25 Mg6 C24 173.2(2) . 6_565 ?
O11 Mg6 C24 156.7(2) 6_565 . ?
O11 Mg6 C24 55.75(16) . . ?
O10 Mg6 C24 120.84(19) 6_565 . ?
O10 Mg6 C24 26.48(16) . . ?
O6O Mg6 C24 87.08(15) . . ?
O6I Mg6 C24 94.41(15) . . ?
C25 Mg6 C24 173.2(2) 6_565 . ?
C25 Mg6 C24 28.97(16) . . ?
C24 Mg6 C24 146.8(2) 6_565 . ?
O11 Mg7 O17 101.7(2) . . ?
O11 Mg7 O12 82.32(17) . . ?
O17 Mg7 O12 174.4(3) . . ?
O11 Mg7 O16 174.4(2) . . ?
O17 Mg7 O16 82.7(2) . . ?
O12 Mg7 O16 93.04(18) . . ?
O11 Mg7 O7I 88.1(4) . . ?
O17 Mg7 O7I 89.8(4) . . ?
O12 Mg7 O7I 94.2(3) . . ?
O16 Mg7 O7I 95.4(3) . . ?
O11 Mg7 O7O 87.5(3) . . ?
O17 Mg7 O7O 88.2(3) . . ?
O12 Mg7 O7O 88.1(3) . . ?
O16 Mg7 O7O 89.3(3) . . ?
O7I Mg7 O7O 174.7(4) . . ?
O11 Mg7 C51 128.37(19) . . ?
O17 Mg7 C51 26.8(2) . . ?
O12 Mg7 C51 148.6(2) . . ?
O16 Mg7 C51 55.90(17) . . ?
O7I Mg7 C51 93.5(4) . . ?
O7O Mg7 C51 86.9(3) . . ?
O11 Mg7 C25 26.86(16) . . ?
O17 Mg7 C25 128.4(2) . . ?
O12 Mg7 C25 55.48(16) . . ?
O16 Mg7 C25 148.29(18) . . ?
O7I Mg7 C25 91.2(3) . . ?
O7O Mg7 C25 86.2(3) . . ?
C51 Mg7 C25 154.59(19) . . ?
O11 Mg7 C50 157.17(18) . . ?
O17 Mg7 C50 55.8(2) . . ?
O12 Mg7 C50 119.76(19) . . ?
O16 Mg7 C50 26.88(15) . . ?
O7I Mg7 C50 95.4(3) . . ?
O7O Mg7 C50 87.5(3) . . ?
C51 Mg7 C50 29.03(17) . . ?
C25 Mg7 C50 172.3(2) . . ?
O11 Mg7 C26 55.59(16) . . ?
O17 Mg7 C26 156.8(2) . . ?
O12 Mg7 C26 26.76(16) . . ?
O16 Mg7 C26 119.66(17) . . ?
O7I Mg7 C26 93.7(3) . . ?
O7O Mg7 C26 86.2(3) . . ?
C51 Mg7 C26 171.9(3) . . ?
C25 Mg7 C26 28.74(16) . . ?
C50 Mg7 C26 146.07(18) . . ?
O2 Mg1 O15 175.3(2) . . ?
O2 Mg1 O14 101.06(19) . . ?
O15 Mg1 O14 83.54(18) . . ?
O2 Mg1 O1 82.50(17) . . ?
O15 Mg1 O1 92.90(18) . . ?
O14 Mg1 O1 176.4(2) . . ?
O2 Mg1 O1I 86.1(3) . . ?
O15 Mg1 O1I 93.3(3) . . ?
O14 Mg1 O1I 86.0(4) . . ?
O1 Mg1 O1I 93.7(3) . . ?
O2 Mg1 O1O 92.0(3) . . ?
O15 Mg1 O1O 88.8(3) . . ?
O14 Mg1 O1O 92.2(3) . . ?
O1 Mg1 O1O 88.2(3) . . ?
O1I Mg1 O1O 177.1(4) . . ?
O2 Mg1 C44 128.30(19) . . ?
O15 Mg1 C44 56.32(17) . . ?
O14 Mg1 C44 27.26(18) . . ?
O1 Mg1 C44 149.2(2) . . ?
O1I Mg1 C44 89.7(3) . . ?
O1O Mg1 C44 89.8(2) . . ?
O2 Mg1 C4 26.74(16) . . ?
O15 Mg1 C4 148.65(19) . . ?
O14 Mg1 C4 127.8(2) . . ?
O1 Mg1 C4 55.76(16) . . ?
O1I Mg1 C4 88.7(3) . . ?
O1O Mg1 C4 90.6(2) . . ?
C44 Mg1 C4 155.03(19) . . ?
O2 Mg1 C45 157.25(19) . . ?
O15 Mg1 C45 27.41(16) . . ?
O14 Mg1 C45 56.25(18) . . ?
O1 Mg1 C45 120.21(19) . . ?
O1I Mg1 C45 93.3(3) . . ?
O1O Mg1 C45 87.6(2) . . ?
C44 Mg1 C45 28.99(17) . . ?
C4 Mg1 C45 175.7(2) . . ?
O2 Mg1 C3 55.72(16) . . ?
O15 Mg1 C3 119.70(18) . . ?
O14 Mg1 C3 156.8(2) . . ?
O1 Mg1 C3 26.82(16) . . ?
O1I Mg1 C3 92.6(3) . . ?
O1O Mg1 C3 88.2(2) . . ?
C44 Mg1 C3 175.6(2) . . ?
C4 Mg1 C3 28.98(16) . . ?
C45 Mg1 C3 146.91(19) . . ?
O5 Mg3 O14 99.89(19) . 2_656 ?
O5 Mg3 O13 174.0(3) . 2_656 ?
O14 Mg3 O13 82.97(18) 2_656 2_656 ?
O5 Mg3 O6 82.65(17) . . ?
O14 Mg3 O6 175.4(3) 2_656 . ?
O13 Mg3 O6 94.15(17) 2_656 . ?
O5 Mg3 O3I 89.5(3) . . ?
O14 Mg3 O3I 89.4(3) 2_656 . ?
O13 Mg3 O3I 95.8(3) 2_656 . ?
O6 Mg3 O3I 94.5(3) . . ?
O5 Mg3 O3O 88.8(3) . . ?
O14 Mg3 O3O 90.4(3) 2_656 . ?
O13 Mg3 O3O 85.9(3) 2_656 . ?
O6 Mg3 O3O 85.8(3) . . ?
O3I Mg3 O3O 178.2(3) . . ?
O5 Mg3 C11 26.61(15) . . ?
O14 Mg3 C11 126.49(19) 2_656 . ?
O13 Mg3 C11 149.98(18) 2_656 . ?
O6 Mg3 C11 56.06(15) . . ?
O3I Mg3 C11 90.7(3) . . ?
O3O Mg3 C11 88.0(3) . . ?
O5 Mg3 C44 126.44(18) . 2_656 ?
O14 Mg3 C44 26.66(17) 2_656 2_656 ?
O13 Mg3 C44 56.32(17) 2_656 2_656 ?
O6 Mg3 C44 150.3(2) . 2_656 ?
O3I Mg3 C44 91.8(3) . 2_656 ?
O3O Mg3 C44 88.8(3) . 2_656 ?
C11 Mg3 C44 152.92(18) . 2_656 ?
O5 Mg3 C43 155.32(18) . 2_656 ?
O14 Mg3 C43 55.88(17) 2_656 2_656 ?
O13 Mg3 C43 27.09(15) 2_656 2_656 ?
O6 Mg3 C43 121.19(18) . 2_656 ?
O3I Mg3 C43 94.4(3) . 2_656 ?
O3O Mg3 C43 87.0(3) . 2_656 ?
C11 Mg3 C43 174.5(2) . 2_656 ?
C44 Mg3 C43 29.23(16) 2_656 2_656 ?
O5 Mg3 C12 55.45(15) . . ?
O14 Mg3 C12 155.05(19) 2_656 . ?
O13 Mg3 C12 121.20(17) 2_656 . ?
O6 Mg3 C12 27.20(14) . . ?
O3I Mg3 C12 93.7(3) . . ?
O3O Mg3 C12 85.7(3) . . ?
C11 Mg3 C12 28.88(15) . . ?
C44 Mg3 C12 174.2(2) 2_656 . ?
C43 Mg3 C12 148.05(18) 2_656 . ?
C12 O6 Mg3 110.3(3) . . ?
C10 O4 Mg2 110.6(3) . 2_656 ?
C17 O7 Mg4 110.9(3) . . ?
C43 O13 Mg3 111.1(3) . 2_656 ?
C3 O1 Mg1 110.7(3) . . ?
C18 O8 Mg4 111.4(3) . . ?
C18 O8 Mg5 110.5(3) . . ?
Mg4 O8 Mg5 138.1(2) . . ?
C19 O9 Mg5 110.7(3) . . ?
C54 O19 Mg4 111.3(3) . 2_656 ?
C24 O10 Mg6 110.9(3) . . ?
C5 O3 Mg2 110.7(3) . . ?
C11 O5 Mg3 111.2(3) . . ?
C11 O5 Mg2 109.9(3) . 2_656 ?
Mg3 O5 Mg2 138.7(2) . 2_656 ?
C26 O12 Mg7 111.1(3) . . ?
C45 O15 Mg1 110.2(3) . . ?
C4 O2 Mg1 111.8(3) . . ?
C4 O2 Mg2 110.1(3) . . ?
Mg1 O2 Mg2 138.2(2) . . ?
C50 O16 Mg7 110.2(3) . . ?
C53 O18 Mg4 111.13(17) . 2_656 ?
C53 O18 Mg4 111.13(17) . 5_666 ?
Mg4 O18 Mg4 137.7(3) 2_656 5_666 ?
C4S O2O Mg2 123.1(5) . . ?
C44 O14 Mg1 109.1(3) . . ?
C44 O14 Mg3 110.7(3) . 2_656 ?
Mg1 O14 Mg3 140.2(3) . 2_656 ?
C25 O11 Mg7 111.1(3) . . ?
C25 O11 Mg6 110.5(4) . . ?
Mg7 O11 Mg6 138.3(2) . . ?
C51 O17 Mg7 110.68(18) . 6_565 ?
C51 O17 Mg7 110.68(18) . . ?
Mg7 O17 Mg7 138.6(3) 6_565 . ?
C19 C20 C15 117.6(5) . . ?
C19 C20 C21 120.6(4) . . ?
C15 C20 C21 121.8(4) . . ?
C16 C15 C20 122.6(4) . . ?
C16 C15 H15 118.7 . . ?
C20 C15 H15 118.7 . . ?
O6 C12 C13 123.6(4) . . ?
O6 C12 C11 115.6(5) . . ?
C13 C12 C11 120.8(5) . . ?
O6 C12 Mg3 42.5(2) . . ?
C13 C12 Mg3 166.0(4) . . ?
C11 C12 Mg3 73.2(3) . . ?
O7 C17 C16 124.4(4) . . ?
O7 C17 C18 116.1(4) . . ?
C16 C17 C18 119.5(5) . . ?
O7 C17 Mg4 42.4(2) . . ?
C16 C17 Mg4 166.4(4) . . ?
C18 C17 Mg4 73.9(3) . . ?
O18 C53 C54 120.3(4) . . ?
O18 C53 C54 120.3(4) . 6_565 ?
C54 C53 C54 119.4(7) . 6_565 ?
O18 C53 Mg4 42.92(12) . 2_656 ?
C54 C53 Mg4 77.4(3) . 2_656 ?
C54 C53 Mg4 163.2(4) 6_565 2_656 ?
O18 C53 Mg4 42.92(12) . 5_666 ?
C54 C53 Mg4 163.2(4) . 5_666 ?
C54 C53 Mg4 77.4(3) 6_565 5_666 ?
Mg4 C53 Mg4 85.8(2) 2_656 5_666 ?
O1 C3 C2 123.9(5) . . ?
O1 C3 C4 115.9(4) . . ?
C2 C3 C4 120.2(5) . . ?
O1 C3 Mg1 42.5(2) . . ?
C2 C3 Mg1 166.1(4) . . ?
C4 C3 Mg1 73.5(3) . . ?
C6 C1 C2 123.0(5) . . ?
C6 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C27 C22 C23 122.5(5) . . ?
C27 C22 H22 118.7 . . ?
C23 C22 H22 118.7 . . ?
C1 C6 C5 118.2(5) . . ?
C1 C6 C7 122.5(4) . . ?
C5 C6 C7 119.2(5) . . ?
C8 C9 C10 117.4(5) . . ?
C8 C9 C7 123.8(5) . . ?
C10 C9 C7 118.6(4) . . ?
O19 C54 C55 123.8(4) . . ?
O19 C54 C53 115.6(5) . . ?
C55 C54 C53 120.7(5) . . ?
O19 C54 Mg4 42.0(2) . 2_656 ?
C55 C54 Mg4 165.1(4) . 2_656 ?
C53 C54 Mg4 73.7(4) . 2_656 ?
C24 C23 C22 119.0(5) . . ?
C24 C23 C21 119.1(4) . . ?
C22 C23 C21 121.8(4) . . ?
C41 C42 C43 117.4(5) . . ?
C41 C42 C56 123.3(5) . . ?
C43 C42 C56 119.3(5) . . ?
C9 C8 C13 124.5(5) . . ?
C9 C8 H8 117.8 . . ?
C13 C8 H8 117.8 . . ?
C55 C52 C55 122.2(7) . 6_565 ?
C55 C52 H52 118.9 . . ?
C55 C52 H52 118.9 6_565 . ?
O2 C4 C5 120.6(5) . . ?
O2 C4 C3 119.0(5) . . ?
C5 C4 C3 120.3(5) . . ?
O2 C4 Mg2 42.8(2) . . ?
C5 C4 Mg2 77.8(3) . . ?
C3 C4 Mg2 161.8(4) . . ?
O2 C4 Mg1 41.5(3) . . ?
C5 C4 Mg1 162.1(4) . . ?
C3 C4 Mg1 77.6(3) . . ?
Mg2 C4 Mg1 84.32(15) . . ?
C13 C14 C32 112.6(4) . . ?
C13 C14 C16 110.0(4) . . ?
C32 C14 C16 112.9(4) . . ?
C13 C14 H14 107.0 . . ?
C32 C14 H14 107.0 . . ?
C16 C14 H14 107.0 . . ?
C9 C7 C6 110.4(4) . . ?
C9 C7 C29 113.9(4) . . ?
C6 C7 C29 112.6(5) . . ?
C9 C7 H7 106.5 . . ?
C6 C7 H7 106.5 . . ?
C29 C7 H7 106.5 . . ?
O13 C43 C42 124.1(5) . . ?
O13 C43 C44 115.3(5) . . ?
C42 C43 C44 120.6(5) . . ?
O13 C43 Mg3 41.8(2) . 2_656 ?
C42 C43 Mg3 165.8(4) . 2_656 ?
C44 C43 Mg3 73.5(3) . 2_656 ?
C20 C21 C23 110.7(4) . . ?
C20 C21 C35 113.7(5) . . ?
C23 C21 C35 112.7(4) . . ?
C20 C21 H21 106.4 . . ?
C23 C21 H21 106.4 . . ?
C35 C21 H21 106.4 . . ?
O9 C19 C20 122.9(5) . . ?
O9 C19 C18 116.4(4) . . ?
C20 C19 C18 120.8(4) . . ?
O9 C19 Mg5 42.5(2) . . ?
C20 C19 Mg5 164.9(4) . . ?
C18 C19 Mg5 74.0(3) . . ?
C15 C16 C17 118.8(4) . . ?
C15 C16 C14 121.8(4) . . ?
C17 C16 C14 119.3(5) . . ?
C8 C13 C12 117.5(4) . . ?
C8 C13 C14 122.4(5) . . ?
C12 C13 C14 120.0(5) . . ?
O12 C26 C27 124.1(5) . . ?
O12 C26 C25 115.5(4) . . ?
C27 C26 C25 120.4(5) . . ?
O12 C26 Mg7 42.1(2) . . ?
C27 C26 Mg7 166.1(4) . . ?
C25 C26 Mg7 73.5(3) . . ?
O5 C11 C12 120.0(5) . . ?
O5 C11 C10 120.6(4) . . ?
C12 C11 C10 119.3(5) . . ?
O5 C11 Mg3 42.2(2) . . ?
C12 C11 Mg3 78.0(3) . . ?
C10 C11 Mg3 162.6(4) . . ?
O5 C11 Mg2 43.2(2) . 2_656 ?
C12 C11 Mg2 163.2(4) . 2_656 ?
C10 C11 Mg2 77.4(3) . 2_656 ?
Mg3 C11 Mg2 85.39(16) . 2_656 ?
O8 C18 C19 120.1(4) . . ?
O8 C18 C17 119.2(5) . . ?
C19 C18 C17 120.7(4) . . ?
O8 C18 Mg4 41.9(2) . . ?
C19 C18 Mg4 162.0(3) . . ?
C17 C18 Mg4 77.3(3) . . ?
O8 C18 Mg5 42.7(2) . . ?
C19 C18 Mg5 77.4(3) . . ?
C17 C18 Mg5 161.9(4) . . ?
Mg4 C18 Mg5 84.65(15) . . ?
O4 C10 C9 123.8(5) . . ?
O4 C10 C11 115.8(4) . . ?
C9 C10 C11 120.4(4) . . ?
O4 C10 Mg2 42.6(2) . 2_656 ?
C9 C10 Mg2 165.3(4) . 2_656 ?
C11 C10 Mg2 73.4(3) . 2_656 ?
O14 C44 C45 120.7(5) . . ?
O14 C44 C43 119.9(5) . . ?
C45 C44 C43 119.4(5) . . ?
O14 C44 Mg1 43.6(2) . . ?
C45 C44 Mg1 77.1(3) . . ?
C43 C44 Mg1 163.5(4) . . ?
O14 C44 Mg3 42.6(2) . 2_656 ?
C45 C44 Mg3 163.3(4) . 2_656 ?
C43 C44 Mg3 77.3(3) . 2_656 ?
Mg1 C44 Mg3 86.26(18) . 2_656 ?
C42 C41 C46 124.6(6) . . ?
C42 C41 H41 117.7 . . ?
C46 C41 H41 117.7 . . ?
C49 C48 C49 122.5(8) 6_565 . ?
C49 C48 H48 118.7 6_565 . ?
C49 C48 H48 118.7 . . ?
C26 C27 C22 118.3(5) . . ?
C26 C27 C28 119.2(5) . . ?
C22 C27 C28 122.5(4) . . ?
O10 C24 C23 124.2(5) . . ?
O10 C24 C25 116.9(4) . . ?
C23 C24 C25 119.0(5) . . ?
O10 C24 Mg6 42.6(2) . . ?
C23 C24 Mg6 166.4(4) . . ?
C25 C24 Mg6 74.4(3) . . ?
C54 C55 C52 118.5(5) . . ?
C54 C55 C56 120.5(5) . . ?
C52 C55 C56 120.9(5) . . ?
C3 C2 C1 118.0(5) . . ?
C3 C2 C28 119.7(5) . . ?
C1 C2 C28 122.3(4) . . ?
O3 C5 C4 116.0(4) . . ?
O3 C5 C6 123.8(5) . . ?
C4 C5 C6 120.2(5) . . ?
O3 C5 Mg2 42.7(2) . . ?
C4 C5 Mg2 73.5(3) . . ?
C6 C5 Mg2 165.6(4) . . ?
C50 C49 C48 118.2(5) . . ?
C50 C49 C47 119.9(5) . . ?
C48 C49 C47 121.8(6) . . ?
C41 C46 C45 116.6(5) . . ?
C41 C46 C47 123.5(5) . . ?
C45 C46 C47 119.9(5) . . ?
C2 C28 C27 109.1(4) . . ?
C2 C28 C38 112.8(4) . . ?
C27 C28 C38 114.6(4) . . ?
C2 C28 H28 106.6 . . ?
C27 C28 H28 106.6 . . ?
C38 C28 H28 106.6 . . ?
O15 C45 C44 116.1(5) . . ?
O15 C45 C46 122.5(5) . . ?
C44 C45 C46 121.4(5) . . ?
O15 C45 Mg1 42.3(2) . . ?
C44 C45 Mg1 73.9(3) . . ?
C46 C45 Mg1 164.6(4) . . ?
C33 C32 C14 114.5(5) . . ?
C33 C32 H32A 108.6 . . ?
C14 C32 H32A 108.6 . . ?
C33 C32 H32B 108.6 . . ?
C14 C32 H32B 108.6 . . ?
H32A C32 H32B 107.6 . . ?
O16 C50 C49 123.1(5) . . ?
O16 C50 C51 116.4(6) . . ?
C49 C50 C51 120.4(6) . . ?
O16 C50 Mg7 42.9(3) . . ?
C49 C50 Mg7 165.8(4) . . ?
C51 C50 Mg7 73.5(4) . . ?
O11 C25 C26 119.8(5) . . ?
O11 C25 C24 119.3(5) . . ?
C26 C25 C24 120.9(5) . . ?
O11 C25 Mg7 42.0(3) . . ?
C26 C25 Mg7 77.8(3) . . ?
C24 C25 Mg7 161.3(4) . . ?
O11 C25 Mg6 42.7(2) . . ?
C26 C25 Mg6 162.5(4) . . ?
C24 C25 Mg6 76.6(3) . . ?
Mg7 C25 Mg6 84.70(16) . . ?
C42 C56 C55 110.3(4) . . ?
C42 C56 C60 113.1(5) . . ?
C55 C56 C60 113.0(5) . . ?
C42 C56 H56 106.7 . . ?
C55 C56 H56 106.7 . . ?
C60 C56 H56 106.7 . . ?
C30 C29 C7 114.7(5) . . ?
C30 C29 H29A 108.6 . . ?
C7 C29 H29A 108.6 . . ?
C30 C29 H29B 108.6 . . ?
C7 C29 H29B 108.6 . . ?
H29A C29 H29B 107.6 . . ?
O17 C51 C50 119.9(4) . 6_565 ?
O17 C51 C50 119.9(4) . . ?
C50 C51 C50 120.1(8) 6_565 . ?
O17 C51 Mg7 42.51(14) . 6_565 ?
C50 C51 Mg7 77.4(3) 6_565 6_565 ?
C50 C51 Mg7 162.4(5) . 6_565 ?
O17 C51 Mg7 42.51(14) . . ?
C50 C51 Mg7 162.4(5) 6_565 . ?
C50 C51 Mg7 77.4(3) . . ?
Mg7 C51 Mg7 85.0(3) 6_565 . ?
C46 C47 C49 109.9(5) . . ?
C46 C47 C57 114.1(5) . . ?
C49 C47 C57 114.2(5) . . ?
C46 C47 H47 106.0 . . ?
C49 C47 H47 106.0 . . ?
C57 C47 H47 106.0 . . ?
C36 C35 C21 112.8(5) . . ?
C36 C35 H35A 109.0 . . ?
C21 C35 H35A 109.0 . . ?
C36 C35 H35B 109.0 . . ?
C21 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
C39 C38 C28 115.9(5) . . ?
C39 C38 H38A 108.3 . . ?
C28 C38 H38A 108.3 . . ?
C39 C38 H38B 108.3 . . ?
C28 C38 H38B 108.3 . . ?
H38A C38 H38B 107.4 . . ?
C32 C33 C34 112.1(6) . . ?
C32 C33 H33A 109.2 . . ?
C34 C33 H33A 109.2 . . ?
C32 C33 H33B 109.2 . . ?
C34 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C61 C60 C56 113.9(6) . . ?
C61 C60 H60A 108.8 . . ?
C56 C60 H60A 108.8 . . ?
C61 C60 H60B 108.8 . . ?
C56 C60 H60B 108.8 . . ?
H60A C60 H60B 107.7 . . ?
C40 C39 C38 113.1(8) . . ?
C40 C39 H39A 109.0 . . ?
C38 C39 H39A 109.0 . . ?
C40 C39 H39B 108.9 . . ?
C38 C39 H39B 109.0 . . ?
H39A C39 H39B 107.8 . . ?
C58 C57 C47 114.5(12) . . ?
C58 C57 H57A 108.6 . . ?
C47 C57 H57A 108.6 . . ?
C58 C57 H57B 108.6 . . ?
C47 C57 H57B 108.6 . . ?
H57A C57 H57B 107.6 . . ?
C29 C30 C31 114.3(6) . . ?
C29 C30 H30A 108.7 . . ?
C31 C30 H30A 108.7 . . ?
C29 C30 H30B 108.7 . . ?
C31 C30 H30B 108.7 . . ?
H30A C30 H30B 107.6 . . ?
C4S N2S C5S 117.5(13) . . ?
C4S N2S C6S 122.1(9) . . ?
C5S N2S C6S 120.1(12) . . ?
C62 C61 C60 112.2(7) . . ?
C62 C61 H61A 109.2 . . ?
C60 C61 H61A 109.2 . . ?
C62 C61 H61B 109.2 . . ?
C60 C61 H61B 109.2 . . ?
H61A C61 H61B 107.9 . . ?
C37 C36 C35 110.5(8) . . ?
C37 C36 H36A 109.6 . . ?
C35 C36 H36A 109.6 . . ?
C37 C36 H36B 109.6 . . ?
C35 C36 H36B 109.6 . . ?
H36A C36 H36B 108.1 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O2O C4S N2S 127.5(9) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N2S C6S H6S1 109.5 . . ?
N2S C6S H6S2 109.5 . . ?
H6S1 C6S H6S2 109.5 . . ?
N2S C6S H6S3 109.5 . . ?
H6S1 C6S H6S3 109.5 . . ?
H6S2 C6S H6S3 109.5 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C57 C58 C59 90.6(16) . . ?
C57 C58 H58A 113.5 . . ?
C59 C58 H58A 113.6 . . ?
C57 C58 H58B 113.5 . . ?
C59 C58 H58B 113.5 . . ?
H58A C58 H58B 110.8 . . ?
N2S C5S H5S1 109.5 . . ?
N2S C5S H5S2 109.5 . . ?
H5S1 C5S H5S2 109.5 . . ?
N2S C5S H5S3 109.5 . . ?
H5S1 C5S H5S3 109.5 . . ?
H5S2 C5S H5S3 109.5 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C19 C20 C15 C16 -0.9(7) . . . . ?
C21 C20 C15 C16 -178.6(4) . . . . ?
Mg3 O6 C12 C13 -177.5(4) . . . . ?
Mg3 O6 C12 C11 3.0(6) . . . . ?
Mg4 O7 C17 C16 176.2(4) . . . . ?
Mg4 O7 C17 C18 -4.9(6) . . . . ?
Mg4 O18 C53 C54 -0.1(9) 2_656 . . . ?
Mg4 O18 C53 C54 -179.2(5) 5_666 . . . ?
Mg4 O18 C53 C54 179.2(5) 2_656 . . 6_565 ?
Mg4 O18 C53 C54 0.2(9) 5_666 . . 6_565 ?
Mg4 O18 C53 Mg4 -179.0(7) 5_666 . . 2_656 ?
Mg4 O18 C53 Mg4 179.0(7) 2_656 . . 5_666 ?
Mg1 O1 C3 C2 176.3(4) . . . . ?
Mg1 O1 C3 C4 -4.4(6) . . . . ?
C2 C1 C6 C5 -1.9(7) . . . . ?
C2 C1 C6 C7 -179.2(4) . . . . ?
Mg4 O19 C54 C55 -174.3(4) 2_656 . . . ?
Mg4 O19 C54 C53 5.2(6) 2_656 . . . ?
O18 C53 C54 O19 -3.5(9) . . . . ?
C54 C53 C54 O19 177.1(4) 6_565 . . . ?
Mg4 C53 C54 O19 -3.6(4) 2_656 . . . ?
Mg4 C53 C54 O19 -5(2) 5_666 . . . ?
O18 C53 C54 C55 176.0(6) . . . . ?
C54 C53 C54 C55 -3.4(11) 6_565 . . . ?
Mg4 C53 C54 C55 175.8(5) 2_656 . . . ?
Mg4 C53 C54 C55 174.0(15) 5_666 . . . ?
O18 C53 C54 Mg4 0.1(6) . . . 2_656 ?
C54 C53 C54 Mg4 -179.2(7) 6_565 . . 2_656 ?
Mg4 C53 C54 Mg4 -1.8(17) 5_666 . . 2_656 ?
C27 C22 C23 C24 1.2(8) . . . . ?
C27 C22 C23 C21 177.0(5) . . . . ?
C10 C9 C8 C13 1.9(7) . . . . ?
C7 C9 C8 C13 177.6(5) . . . . ?
Mg1 O2 C4 C5 179.9(4) . . . . ?
Mg2 O2 C4 C5 -0.8(6) . . . . ?
Mg1 O2 C4 C3 -1.6(6) . . . . ?
Mg2 O2 C4 C3 177.7(4) . . . . ?
Mg1 O2 C4 Mg2 -179.3(5) . . . . ?
Mg2 O2 C4 Mg1 179.3(5) . . . . ?
O1 C3 C4 O2 4.2(7) . . . . ?
C2 C3 C4 O2 -176.5(5) . . . . ?
Mg1 C3 C4 O2 1.1(4) . . . . ?
O1 C3 C4 C5 -177.3(5) . . . . ?
C2 C3 C4 C5 2.0(8) . . . . ?
Mg1 C3 C4 C5 179.5(5) . . . . ?
O1 C3 C4 Mg2 9.3(15) . . . . ?
C2 C3 C4 Mg2 -171.4(10) . . . . ?
Mg1 C3 C4 Mg2 6.2(12) . . . . ?
O1 C3 C4 Mg1 3.1(4) . . . . ?
C2 C3 C4 Mg1 -177.6(5) . . . . ?
C8 C9 C7 C6 -89.7(5) . . . . ?
C10 C9 C7 C6 85.9(5) . . . . ?
C8 C9 C7 C29 38.1(7) . . . . ?
C10 C9 C7 C29 -146.3(5) . . . . ?
C1 C6 C7 C9 89.5(5) . . . . ?
C5 C6 C7 C9 -87.8(5) . . . . ?
C1 C6 C7 C29 -39.0(6) . . . . ?
C5 C6 C7 C29 143.7(5) . . . . ?
Mg3 O13 C43 C42 178.4(4) 2_656 . . . ?
Mg3 O13 C43 C44 0.2(6) 2_656 . . . ?
C41 C42 C43 O13 179.7(5) . . . . ?
C56 C42 C43 O13 2.1(8) . . . . ?
C41 C42 C43 C44 -2.2(8) . . . . ?
C56 C42 C43 C44 -179.8(5) . . . . ?
C41 C42 C43 Mg3 -176.0(13) . . . 2_656 ?
C56 C42 C43 Mg3 6.4(18) . . . 2_656 ?
C19 C20 C21 C23 -87.8(5) . . . . ?
C15 C20 C21 C23 89.8(5) . . . . ?
C19 C20 C21 C35 144.2(5) . . . . ?
C15 C20 C21 C35 -38.2(6) . . . . ?
C24 C23 C21 C20 84.1(6) . . . . ?
C22 C23 C21 C20 -91.7(6) . . . . ?
C24 C23 C21 C35 -147.3(5) . . . . ?
C22 C23 C21 C35 36.9(7) . . . . ?
Mg5 O9 C19 C20 -175.1(4) . . . . ?
Mg5 O9 C19 C18 5.6(6) . . . . ?
C15 C20 C19 O9 -178.0(4) . . . . ?
C21 C20 C19 O9 -0.3(8) . . . . ?
C15 C20 C19 C18 1.2(7) . . . . ?
C21 C20 C19 C18 178.9(5) . . . . ?
C15 C20 C19 Mg5 169.3(12) . . . . ?
C21 C20 C19 Mg5 -13.0(18) . . . . ?
C20 C15 C16 C17 1.0(7) . . . . ?
C20 C15 C16 C14 177.7(4) . . . . ?
O7 C17 C16 C15 177.6(4) . . . . ?
C18 C17 C16 C15 -1.2(7) . . . . ?
Mg4 C17 C16 C15 -171.5(12) . . . . ?
O7 C17 C16 C14 0.8(7) . . . . ?
C18 C17 C16 C14 -178.0(4) . . . . ?
Mg4 C17 C16 C14 11.7(18) . . . . ?
C13 C14 C16 C15 -89.7(5) . . . . ?
C32 C14 C16 C15 37.0(7) . . . . ?
C13 C14 C16 C17 87.0(6) . . . . ?
C32 C14 C16 C17 -146.3(5) . . . . ?
C9 C8 C13 C12 -1.4(7) . . . . ?
C9 C8 C13 C14 -178.3(4) . . . . ?
O6 C12 C13 C8 -177.5(4) . . . . ?
C11 C12 C13 C8 2.0(7) . . . . ?
Mg3 C12 C13 C8 175.6(13) . . . . ?
O6 C12 C13 C14 -0.5(7) . . . . ?
C11 C12 C13 C14 178.9(5) . . . . ?
Mg3 C12 C13 C14 -7.5(18) . . . . ?
C32 C14 C13 C8 -35.6(7) . . . . ?
C16 C14 C13 C8 91.3(5) . . . . ?
C32 C14 C13 C12 147.6(5) . . . . ?
C16 C14 C13 C12 -85.5(6) . . . . ?
Mg7 O12 C26 C27 -177.9(5) . . . . ?
Mg7 O12 C26 C25 2.6(6) . . . . ?
Mg3 O5 C11 C12 4.6(6) . . . . ?
Mg2 O5 C11 C12 -178.3(4) 2_656 . . . ?
Mg3 O5 C11 C10 -177.0(4) . . . . ?
Mg2 O5 C11 C10 0.1(6) 2_656 . . . ?
Mg2 O5 C11 Mg3 177.1(5) 2_656 . . . ?
Mg3 O5 C11 Mg2 -177.1(5) . . . 2_656 ?
O6 C12 C11 O5 -5.3(7) . . . . ?
C13 C12 C11 O5 175.2(5) . . . . ?
Mg3 C12 C11 O5 -3.1(4) . . . . ?
O6 C12 C11 C10 176.3(4) . . . . ?
C13 C12 C11 C10 -3.2(8) . . . . ?
Mg3 C12 C11 C10 178.4(5) . . . . ?
O6 C12 C11 Mg3 -2.1(4) . . . . ?
C13 C12 C11 Mg3 178.4(5) . . . . ?
O6 C12 C11 Mg2 -9.3(16) . . . 2_656 ?
C13 C12 C11 Mg2 171.2(10) . . . 2_656 ?
Mg3 C12 C11 Mg2 -7.2(13) . . . 2_656 ?
Mg4 O8 C18 C19 -179.6(4) . . . . ?
Mg5 O8 C18 C19 0.1(6) . . . . ?
Mg4 O8 C18 C17 -1.3(6) . . . . ?
Mg5 O8 C18 C17 178.4(4) . . . . ?
Mg5 O8 C18 Mg4 179.7(4) . . . . ?
Mg4 O8 C18 Mg5 -179.7(4) . . . . ?
O9 C19 C18 O8 -4.0(7) . . . . ?
C20 C19 C18 O8 176.7(5) . . . . ?
Mg5 C19 C18 O8 -0.1(4) . . . . ?
O9 C19 C18 C17 177.7(5) . . . . ?
C20 C19 C18 C17 -1.5(8) . . . . ?
Mg5 C19 C18 C17 -178.3(5) . . . . ?
O9 C19 C18 Mg4 -4.9(15) . . . . ?
C20 C19 C18 Mg4 175.9(10) . . . . ?
Mg5 C19 C18 Mg4 -0.9(12) . . . . ?
O9 C19 C18 Mg5 -4.0(4) . . . . ?
C20 C19 C18 Mg5 176.8(5) . . . . ?
O7 C17 C18 O8 4.3(7) . . . . ?
C16 C17 C18 O8 -176.7(5) . . . . ?
Mg4 C17 C18 O8 0.9(4) . . . . ?
O7 C17 C18 C19 -177.4(5) . . . . ?
C16 C17 C18 C19 1.5(8) . . . . ?
Mg4 C17 C18 C19 179.2(5) . . . . ?
O7 C17 C18 Mg4 3.4(4) . . . . ?
C16 C17 C18 Mg4 -177.6(5) . . . . ?
O7 C17 C18 Mg5 7.8(15) . . . . ?
C16 C17 C18 Mg5 -173.2(10) . . . . ?
Mg4 C17 C18 Mg5 4.4(12) . . . . ?
Mg2 O4 C10 C9 172.7(4) 2_656 . . . ?
Mg2 O4 C10 C11 -6.2(5) 2_656 . . . ?
C8 C9 C10 O4 178.0(5) . . . . ?
C7 C9 C10 O4 2.1(7) . . . . ?
C8 C9 C10 C11 -3.1(7) . . . . ?
C7 C9 C10 C11 -179.0(5) . . . . ?
C8 C9 C10 Mg2 -162.1(13) . . . 2_656 ?
C7 C9 C10 Mg2 22.0(18) . . . 2_656 ?
O5 C11 C10 O4 4.3(7) . . . . ?
C12 C11 C10 O4 -177.3(5) . . . . ?
Mg3 C11 C10 O4 -2.4(16) . . . . ?
Mg2 C11 C10 O4 4.4(4) 2_656 . . . ?
O5 C11 C10 C9 -174.6(5) . . . . ?
C12 C11 C10 C9 3.8(8) . . . . ?
Mg3 C11 C10 C9 178.6(10) . . . . ?
Mg2 C11 C10 C9 -174.6(5) 2_656 . . . ?
O5 C11 C10 Mg2 -0.1(4) . . . 2_656 ?
C12 C11 C10 Mg2 178.4(5) . . . 2_656 ?
Mg3 C11 C10 Mg2 -6.8(12) . . . 2_656 ?
Mg1 O14 C44 C45 -0.8(7) . . . . ?
Mg3 O14 C44 C45 178.8(4) 2_656 . . . ?
Mg1 O14 C44 C43 179.7(4) . . . . ?
Mg3 O14 C44 C43 -0.7(7) 2_656 . . . ?
Mg3 O14 C44 Mg1 179.6(5) 2_656 . . . ?
Mg1 O14 C44 Mg3 -179.6(5) . . . 2_656 ?
O13 C43 C44 O14 0.4(8) . . . . ?
C42 C43 C44 O14 -177.9(5) . . . . ?
Mg3 C43 C44 O14 0.5(5) 2_656 . . . ?
O13 C43 C44 C45 -179.1(5) . . . . ?
C42 C43 C44 C45 2.6(8) . . . . ?
Mg3 C43 C44 C45 -179.0(6) 2_656 . . . ?
O13 C43 C44 Mg1 1.2(18) . . . . ?
C42 C43 C44 Mg1 -177.1(12) . . . . ?
Mg3 C43 C44 Mg1 1.3(14) 2_656 . . . ?
O13 C43 C44 Mg3 -0.1(4) . . . 2_656 ?
C42 C43 C44 Mg3 -178.4(5) . . . 2_656 ?
C43 C42 C41 C46 0.5(8) . . . . ?
C56 C42 C41 C46 178.0(5) . . . . ?
O12 C26 C27 C22 -178.7(5) . . . . ?
C25 C26 C27 C22 0.8(8) . . . . ?
Mg7 C26 C27 C22 175.5(15) . . . . ?
O12 C26 C27 C28 -1.8(9) . . . . ?
C25 C26 C27 C28 177.6(5) . . . . ?
Mg7 C26 C27 C28 -8(2) . . . . ?
C23 C22 C27 C26 -0.6(8) . . . . ?
C23 C22 C27 C28 -177.3(5) . . . . ?
Mg6 O10 C24 C23 175.7(5) . . . . ?
Mg6 O10 C24 C25 -5.3(6) . . . . ?
C22 C23 C24 O10 177.0(5) . . . . ?
C21 C23 C24 O10 1.1(8) . . . . ?
C22 C23 C24 C25 -1.9(8) . . . . ?
C21 C23 C24 C25 -177.8(5) . . . . ?
C22 C23 C24 Mg6 -170.4(15) . . . . ?
C21 C23 C24 Mg6 14(2) . . . . ?
O19 C54 C55 C52 -177.6(5) . . . . ?
C53 C54 C55 C52 2.9(9) . . . . ?
Mg4 C54 C55 C52 167.2(12) 2_656 . . . ?
O19 C54 C55 C56 -1.4(8) . . . . ?
C53 C54 C55 C56 179.2(5) . . . . ?
Mg4 C54 C55 C56 -16.6(18) 2_656 . . . ?
C55 C52 C55 C54 -2.5(11) 6_565 . . . ?
C55 C52 C55 C56 -178.8(4) 6_565 . . . ?
O1 C3 C2 C1 178.1(4) . . . . ?
C4 C3 C2 C1 -1.1(7) . . . . ?
Mg1 C3 C2 C1 -171.4(13) . . . . ?
O1 C3 C2 C28 0.9(8) . . . . ?
C4 C3 C2 C28 -178.4(5) . . . . ?
Mg1 C3 C2 C28 11.3(18) . . . . ?
C6 C1 C2 C3 1.1(7) . . . . ?
C6 C1 C2 C28 178.3(4) . . . . ?
Mg2 O3 C5 C4 6.2(6) . . . . ?
Mg2 O3 C5 C6 -173.3(4) . . . . ?
O2 C4 C5 O3 -3.9(8) . . . . ?
C3 C4 C5 O3 177.7(5) . . . . ?
Mg2 C4 C5 O3 -4.4(4) . . . . ?
Mg1 C4 C5 O3 -3.7(16) . . . . ?
O2 C4 C5 C6 175.7(5) . . . . ?
C3 C4 C5 C6 -2.7(8) . . . . ?
Mg2 C4 C5 C6 175.1(5) . . . . ?
Mg1 C4 C5 C6 175.8(10) . . . . ?
O2 C4 C5 Mg2 0.5(4) . . . . ?
C3 C4 C5 Mg2 -177.9(5) . . . . ?
Mg1 C4 C5 Mg2 0.7(13) . . . . ?
C1 C6 C5 O3 -177.8(5) . . . . ?
C7 C6 C5 O3 -0.4(7) . . . . ?
C1 C6 C5 C4 2.7(8) . . . . ?
C7 C6 C5 C4 -179.9(4) . . . . ?
C1 C6 C5 Mg2 163.6(13) . . . . ?
C7 C6 C5 Mg2 -19.0(18) . . . . ?
C49 C48 C49 C50 1.7(11) 6_565 . . . ?
C49 C48 C49 C47 178.0(4) 6_565 . . . ?
C42 C41 C46 C45 0.8(8) . . . . ?
C42 C41 C46 C47 -177.2(5) . . . . ?
C3 C2 C28 C27 87.7(6) . . . . ?
C1 C2 C28 C27 -89.4(5) . . . . ?
C3 C2 C28 C38 -143.7(5) . . . . ?
C1 C2 C28 C38 39.2(7) . . . . ?
C26 C27 C28 C2 -85.0(6) . . . . ?
C22 C27 C28 C2 91.7(6) . . . . ?
C26 C27 C28 C38 147.4(6) . . . . ?
C22 C27 C28 C38 -35.9(8) . . . . ?
Mg1 O15 C45 C44 6.1(6) . . . . ?
Mg1 O15 C45 C46 -176.9(4) . . . . ?
O14 C44 C45 O15 -3.7(8) . . . . ?
C43 C44 C45 O15 175.8(5) . . . . ?
Mg1 C44 C45 O15 -4.3(4) . . . . ?
Mg3 C44 C45 O15 -0.8(18) 2_656 . . . ?
O14 C44 C45 C46 179.3(5) . . . . ?
C43 C44 C45 C46 -1.2(8) . . . . ?
Mg1 C44 C45 C46 178.7(5) . . . . ?
Mg3 C44 C45 C46 -177.9(12) 2_656 . . . ?
O14 C44 C45 Mg1 0.6(5) . . . . ?
C43 C44 C45 Mg1 -179.9(6) . . . . ?
Mg3 C44 C45 Mg1 3.5(14) 2_656 . . . ?
C41 C46 C45 O15 -177.3(5) . . . . ?
C47 C46 C45 O15 0.8(8) . . . . ?
C41 C46 C45 C44 -0.4(8) . . . . ?
C47 C46 C45 C44 177.6(5) . . . . ?
C41 C46 C45 Mg1 174.8(12) . . . . ?
C47 C46 C45 Mg1 -7.2(17) . . . . ?
C13 C14 C32 C33 -171.5(5) . . . . ?
C16 C14 C32 C33 63.2(7) . . . . ?
Mg7 O16 C50 C49 176.8(5) . . . . ?
Mg7 O16 C50 C51 -1.4(7) . . . . ?
C48 C49 C50 O16 178.8(6) . . . . ?
C47 C49 C50 O16 2.5(9) . . . . ?
C48 C49 C50 C51 -3.2(10) . . . . ?
C47 C49 C50 C51 -179.5(6) . . . . ?
C48 C49 C50 Mg7 -172.1(15) . . . . ?
C47 C49 C50 Mg7 12(2) . . . . ?
Mg7 O11 C25 C26 -1.1(7) . . . . ?
Mg6 O11 C25 C26 -178.7(5) . . . . ?
Mg7 O11 C25 C24 179.9(5) . . . . ?
Mg6 O11 C25 C24 2.3(7) . . . . ?
Mg6 O11 C25 Mg7 -177.6(6) . . . . ?
Mg7 O11 C25 Mg6 177.6(6) . . . . ?
O12 C26 C25 O11 -1.1(9) . . . . ?
C27 C26 C25 O11 179.4(6) . . . . ?
Mg7 C26 C25 O11 0.7(5) . . . . ?
O12 C26 C25 C24 177.9(5) . . . . ?
C27 C26 C25 C24 -1.6(9) . . . . ?
Mg7 C26 C25 C24 179.7(6) . . . . ?
O12 C26 C25 Mg7 -1.8(5) . . . . ?
C27 C26 C25 Mg7 178.7(6) . . . . ?
O12 C26 C25 Mg6 -4.1(18) . . . . ?
C27 C26 C25 Mg6 176.5(12) . . . . ?
Mg7 C26 C25 Mg6 -2.2(15) . . . . ?
O10 C24 C25 O11 2.1(9) . . . . ?
C23 C24 C25 O11 -178.8(5) . . . . ?
Mg6 C24 C25 O11 -1.6(5) . . . . ?
O10 C24 C25 C26 -176.9(5) . . . . ?
C23 C24 C25 C26 2.2(9) . . . . ?
Mg6 C24 C25 C26 179.4(6) . . . . ?
O10 C24 C25 Mg7 2.3(17) . . . . ?
C23 C24 C25 Mg7 -178.7(11) . . . . ?
Mg6 C24 C25 Mg7 -1.5(13) . . . . ?
O10 C24 C25 Mg6 3.7(4) . . . . ?
C23 C24 C25 Mg6 -177.2(5) . . . . ?
C41 C42 C56 C55 -92.0(6) . . . . ?
C43 C42 C56 C55 85.5(6) . . . . ?
C41 C42 C56 C60 35.7(7) . . . . ?
C43 C42 C56 C60 -146.9(5) . . . . ?
C54 C55 C56 C42 -87.0(6) . . . . ?
C52 C55 C56 C42 89.2(7) . . . . ?
C54 C55 C56 C60 145.3(5) . . . . ?
C52 C55 C56 C60 -38.5(7) . . . . ?
C9 C7 C29 C30 172.3(5) . . . . ?
C6 C7 C29 C30 -61.1(6) . . . . ?
Mg7 O17 C51 C50 -2.9(10) 6_565 . . 6_565 ?
Mg7 O17 C51 C50 179.1(6) . . . 6_565 ?
Mg7 O17 C51 C50 -179.1(6) 6_565 . . . ?
Mg7 O17 C51 C50 2.9(10) . . . . ?
Mg7 O17 C51 Mg7 -178.1(8) . . . 6_565 ?
Mg7 O17 C51 Mg7 178.1(8) 6_565 . . . ?
O16 C50 C51 O17 -1.0(11) . . . . ?
C49 C50 C51 O17 -179.2(7) . . . . ?
Mg7 C50 C51 O17 -2.0(7) . . . . ?
O16 C50 C51 C50 -177.2(5) . . . 6_565 ?
C49 C50 C51 C50 4.6(13) . . . 6_565 ?
Mg7 C50 C51 C50 -178.2(8) . . . 6_565 ?
O16 C50 C51 Mg7 -3(2) . . . 6_565 ?
C49 C50 C51 Mg7 178.7(16) . . . 6_565 ?
Mg7 C50 C51 Mg7 -4.1(19) . . . 6_565 ?
O16 C50 C51 Mg7 1.0(5) . . . . ?
C49 C50 C51 Mg7 -177.2(6) . . . . ?
C41 C46 C47 C49 90.4(6) . . . . ?
C45 C46 C47 C49 -87.5(6) . . . . ?
C41 C46 C47 C57 -39.3(7) . . . . ?
C45 C46 C47 C57 142.8(5) . . . . ?
C50 C49 C47 C46 85.6(6) . . . . ?
C48 C49 C47 C46 -90.5(7) . . . . ?
C50 C49 C47 C57 -144.6(6) . . . . ?
C48 C49 C47 C57 39.2(8) . . . . ?
C20 C21 C35 C36 -61.7(7) . . . . ?
C23 C21 C35 C36 171.3(5) . . . . ?
C2 C28 C38 C39 59.6(8) . . . . ?
C27 C28 C38 C39 -174.8(6) . . . . ?
C14 C32 C33 C34 -176.3(6) . . . . ?
C42 C56 C60 C61 173.4(5) . . . . ?
C55 C56 C60 C61 -60.3(7) . . . . ?
C28 C38 C39 C40 -178.0(10) . . . . ?
C46 C47 C57 C58 -62.5(13) . . . . ?
C49 C47 C57 C58 169.9(12) . . . . ?
C7 C29 C30 C31 -178.5(7) . . . . ?
C56 C60 C61 C62 177.9(6) . . . . ?
C21 C35 C36 C37 -178.5(9) . . . . ?
Mg2 O2O C4S N2S 159.2(9) . . . . ?
C5S N2S C4S O2O -8(2) . . . . ?
C6S N2S C4S O2O 178.2(11) . . . . ?
C47 C57 C58 C59 -132.6(13) . . . . ?

_refine_diff_density_max         1.592
_refine_diff_density_min         -1.330
_refine_diff_density_rms         0.137


_diffrn_standards_decay_%        0.0
_symmetry_cell_setting           ?
_symmetry_space_group_name_h-m   ?
_symmetry_int_tables_number      ?
_chemical_absolute_configuration ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ZC091308PgC3MgMeCN
_database_code_depnum_ccdc_archive 'CCDC 1525509'
_audit_update_record             
;
2017-01-04 deposited with the CCDC.
2017-03-13 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT084_ZC091308PgC3MgMeCN  
;
PROBLEM: High wR2 Value (i.e. &gt; 0.25) ...................       0.51 Report
RESPONSE: This may be due to the weak diffraction of the crystal.
;
_vrf_PLAT201_ZC091308PgC3MgMeCN  
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......        159 Report
RESPONSE: Due to disorder, part of C-alkyl tails of pyrogallol[4]arene and pyridine molecules were refined isotropically.
;
_vrf_PLAT934_ZC091308PgC3MgMeCN  
;
PROBLEM: Number of (Iobs-Icalc)/SigmaW &gt; 10 Outliers ....        108 Check
RESPONSE: This is due to low quality of crystal.
;
_vrf_THETM01_ZC091308PgC3MgMeCN  
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: This may be due to the weak diffraction of the crystal and disorder in the structure.
;
_vrf_PLAT082_ZC091308PgC3MgMeCN  
;
PROBLEM: High R1 Value ..................................       0.17 Report
RESPONSE: This may be due to the weak diffraction of the crystal.
;
_vrf_PLAT097_ZC091308PgC3MgMeCN  
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       1.95 eA-3
RESPONSE: The reported electron density may be due to disordered solvent molecules.
;
_vrf_PLAT241_ZC091308PgC3MgMeCN  
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of       C33A Check
RESPONSE: this is due to disorder in the C-alkyl tail of pyrogallol[4]arene.	
;
_vrf_PLAT242_ZC091308PgC3MgMeCN  
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of       C35C Check
RESPONSE: this is due to disorder in the C-alkyl tail of pyrogallol[4]arene.	
;
_vrf_PLAT340_ZC091308PgC3MgMeCN  
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............      0.014 Ang.
RESPONSE: this is due to disorder in the C-alkyl tail of pyrogallol[4]arene.	
;
_vrf_PLAT430_ZC091308PgC3MgMeCN  
;
PROBLEM: Short Inter D...A Contact  O2O    ..  N1P     ..       2.76 Ang.
RESPONSE: This may be due to the hydrogen bonding.
;
_vrf_PLAT930_ZC091308PgC3MgMeCN  
;
PROBLEM: Check Twin Law ( 0 1 -1)[ 0 5 -4] Estimated BASF       0.27
RESPONSE: it is possibly an artifact of the use of Squeeze.
;
# Added during the CSD deposition process: Wednesday 04 January 2017 03:21 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C250 H226 Mg24 N2 O120'
_chemical_formula_weight         5761.75

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   26.113(2)
_cell_length_b                   26.276(2)
_cell_length_c                   27.960(2)
_cell_angle_alpha                93.634(4)
_cell_angle_beta                 92.074(5)
_cell_angle_gamma                90.160(5)
_cell_volume                     19133(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    665
_cell_measurement_theta_min      2.4
_cell_measurement_theta_max      56.9

_exptl_crystal_description       Plate
_exptl_crystal_colour            Blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.000
_exptl_crystal_F_000             5976
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.025
_shelx_estimated_absorpt_T_min   0.578
_shelx_estimated_absorpt_T_max   0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_process_details   
;
 Data were corrected for decay and absorption using the program SADABS 
 (Sheldrick, G. M. (2003). SADABS. Version 2.10. University of
 Göttingen, Germany).
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Incoatec IMuS microfocus Cu tube'

_diffrn_measurement_device_type  'Bruker Prospector CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            516470
_diffrn_reflns_av_unetI/netI     0.0513
_diffrn_reflns_av_R_equivalents  0.0896
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.584
_diffrn_reflns_theta_max         59.948
_diffrn_reflns_theta_full        59.948
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measured_fraction_theta_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_point_group_measured_fraction_full 0.965
_reflns_number_total             54746
_reflns_number_gt                34659
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'SMART (Bruker, 1998)'
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-III (Burnett & Johnson, 1996)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_refine_special_details          
;Several of the side chains are disordered and were modelled
 in single orientations using suitable restraints.  The contribution
 of disordered mixed solvent atoms was modelled using SQUEEZE., SQUEEZE
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         54746
_refine_ls_number_parameters     2699
_refine_ls_number_restraints     69
_refine_ls_R_factor_all          0.2219
_refine_ls_R_factor_gt           0.1726
_refine_ls_wR_factor_ref         0.5144
_refine_ls_wR_factor_gt          0.4686
_refine_ls_goodness_of_fit_ref   2.047
_refine_ls_restrained_S_all      2.049
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg18 Mg 0.55816(11) 0.82377(11) 0.28058(12) 0.0639(8) Uani 1 1 d . . . . .
Mg20 Mg 0.33050(12) 0.78844(12) 0.59302(12) 0.0667(8) Uani 1 1 d . . . . .
Mg2 Mg 0.22531(12) 0.66659(11) 0.09411(12) 0.0642(8) Uani 1 1 d . . . . .
Mg24 Mg 0.37824(12) 0.81901(11) 0.31197(11) 0.0623(8) Uani 1 1 d . . . . .
Mg7 Mg 0.22569(11) 0.65686(12) -0.07834(12) 0.0649(8) Uani 1 1 d . . . . .
Mg23 Mg 0.30058(12) 0.80851(12) 0.42293(11) 0.0648(8) Uani 1 1 d . . . . .
Mg1 Mg 0.12045(12) 0.68725(12) 0.18427(11) 0.0640(8) Uani 1 1 d . . . . .
Mg19 Mg 0.45134(12) 0.78446(12) 0.67120(12) 0.0679(8) Uani 1 1 d . . . . .
Mg3 Mg 0.20207(12) 0.56830(12) 0.18540(12) 0.0660(8) Uani 1 1 d . . . . .
Mg21 Mg 0.65173(12) 1.11603(12) 0.30011(12) 0.0678(8) Uani 1 1 d . . . . .
Mg17 Mg 0.65398(12) 0.93153(12) 0.28024(13) 0.0707(9) Uani 1 1 d . . . . .
Mg10 Mg 0.17913(13) 0.38620(13) 0.19158(13) 0.0749(9) Uani 1 1 d . . . . .
Mg22 Mg 0.72859(12) 1.08689(12) 0.66158(11) 0.0647(8) Uani 1 1 d . . . . .
Mg15 Mg 0.73283(12) 0.90417(12) 0.63863(11) 0.0674(8) Uani 1 1 d . . . . .
Mg4 Mg -0.06055(12) 0.71908(13) 0.18050(12) 0.0717(9) Uani 1 1 d . . . . .
Mg11 Mg 0.06077(13) 0.30142(13) 0.18717(13) 0.0767(9) Uani 1 1 d . . . . .
Mg12 Mg -0.16217(12) 0.72125(12) -0.09314(13) 0.0720(9) Uani 1 1 d . . . . .
Mg13 Mg 0.71287(12) 0.81006(12) 0.53207(12) 0.0706(9) Uani 1 1 d . . . . .
Mg14 Mg 0.63199(13) 0.79768(13) 0.64042(13) 0.0742(9) Uani 1 1 d . . . . .
Mg9 Mg -0.12154(13) 0.33391(14) 0.17667(13) 0.0771(9) Uani 1 1 d . . . . .
Mg5 Mg -0.15928(13) 0.72710(14) 0.07912(13) 0.0779(10) Uani 1 1 d . . . . .
Mg16 Mg 0.67685(13) 0.82348(13) 0.36243(14) 0.0790(10) Uani 1 1 d . . . . .
Mg6 Mg 0.17685(13) 0.36812(15) -0.17350(13) 0.0831(10) Uani 1 1 d . . . . .
Mg8 Mg 0.20699(12) 0.55007(14) -0.17389(12) 0.0749(9) Uani 1 1 d . . . . .
O10D O 0.3432(2) 0.7318(2) 0.5395(2) 0.0621(15) Uani 1 1 d . . . . .
O3B O 0.2817(2) 0.6343(2) 0.0536(2) 0.0595(15) Uani 1 1 d . . . . .
O9F O 0.7166(2) 1.0730(2) 0.3038(2) 0.0595(15) Uani 1 1 d . . . . .
O4F O 0.7846(2) 1.0458(2) 0.6276(2) 0.0632(15) Uani 1 1 d . . . . .
O12A O 0.2142(2) 0.7229(2) -0.0355(2) 0.0620(15) Uani 1 1 d . . . . .
O10B O 0.2263(2) 0.2862(2) 0.0546(2) 0.0673(17) Uani 1 1 d . . . . .
O6E O 0.3808(2) 0.9259(2) 0.7582(2) 0.0583(14) Uani 1 1 d . . . . .
O1A O 0.2166(2) 0.7289(2) 0.0532(2) 0.0602(15) Uani 1 1 d . . . . .
O9E O 0.4999(2) 1.1527(2) 0.7651(2) 0.0640(16) Uani 1 1 d . . . . .
O3A O 0.0883(2) 0.7544(2) 0.1661(2) 0.0690(17) Uani 1 1 d . . . . .
O1F O 0.7642(2) 0.8345(2) 0.4837(2) 0.0638(16) Uani 1 1 d . . . . .
O8F O 0.6868(2) 1.1528(2) 0.3575(2) 0.0737(19) Uani 1 1 d . . . . .
O1E O 0.7230(2) 0.9441(3) 0.7026(2) 0.0697(18) Uani 1 1 d . . . . .
O10F O 0.7172(2) 0.9773(2) 0.2962(2) 0.0635(15) Uani 1 1 d . . . . .
O4B O 0.2835(2) 0.6302(2) -0.0349(2) 0.0588(15) Uani 1 1 d . . . . .
O12D O 0.4936(2) 0.7275(2) 0.6378(2) 0.0661(16) Uani 1 1 d . . . . .
O11E O 0.6709(2) 1.1221(2) 0.6970(2) 0.0641(16) Uani 1 1 d . . . . .
O11B O 0.1946(2) 0.3392(2) 0.1321(2) 0.0718(18) Uani 1 1 d . . . . .
O4D O 0.6699(2) 0.7571(2) 0.3962(2) 0.0634(16) Uani 1 1 d . . . . .
O10E O 0.5929(2) 1.1566(2) 0.7500(2) 0.0619(15) Uani 1 1 d . . . . .
O9D O 0.3313(2) 0.7466(2) 0.4533(2) 0.0614(15) Uani 1 1 d . . . . .
O3F O 0.7879(2) 0.9525(2) 0.6177(2) 0.0630(16) Uani 1 1 d . . . . .
O7E O 0.3787(2) 1.0215(2) 0.7694(2) 0.0637(15) Uani 1 1 d . . . . .
O12E O 0.7233(2) 1.0386(2) 0.7167(2) 0.0641(16) Uani 1 1 d . . . . .
O12B O 0.2463(3) 0.4198(2) 0.1729(2) 0.0751(18) Uani 1 1 d . . . . .
O4C O 0.1644(2) 0.4387(3) 0.2489(2) 0.0766(19) Uani 1 1 d . . . . .
O6F O 0.7529(2) 1.1795(2) 0.5257(2) 0.0624(15) Uani 1 1 d . . . . .
O7F O 0.7376(2) 1.1894(2) 0.4382(2) 0.0661(16) Uani 1 1 d . . . . .
O8E O 0.4091(2) 1.1107(2) 0.7382(2) 0.0701(17) Uani 1 1 d . . . . .
O7A O -0.1316(2) 0.7797(2) -0.0493(2) 0.0680(17) Uani 1 1 d . . . . .
O12F O 0.7444(2) 0.8438(2) 0.3977(2) 0.0688(17) Uani 1 1 d . . . . .
O6B O 0.2608(2) 0.4966(3) -0.1552(2) 0.0728(18) Uani 1 1 d . . . . .
O8A O -0.0965(2) 0.7290(3) -0.1271(2) 0.0730(18) Uani 1 1 d . . . . .
O2A O 0.1675(2) 0.7013(2) 0.1297(2) 0.0654(16) Uani 1 1 d . . . . .
O6D O 0.5198(2) 0.7599(2) 0.2973(2) 0.0671(16) Uani 1 1 d . . . . .
O6C O 0.0193(2) 0.3324(3) 0.2429(2) 0.0768(19) Uani 1 1 d . . . . .
O3E O 0.6018(2) 0.8105(2) 0.7060(2) 0.0692(17) Uani 1 1 d . . . . .
O6A O -0.1303(2) 0.7822(2) 0.0401(2) 0.0687(17) Uani 1 1 d . . . . .
O4E O 0.5084(2) 0.8048(2) 0.7230(2) 0.0709(17) Uani 1 1 d . . . . .
O9B O 0.2231(2) 0.2855(2) -0.0351(2) 0.0709(17) Uani 1 1 d . . . . .
O1D O 0.5851(2) 0.7358(2) 0.6196(2) 0.0711(17) Uani 1 1 d . . . . .
O11D O 0.4001(2) 0.7642(2) 0.6184(2) 0.0725(18) Uani 1 1 d . . . . .
O1B O 0.2563(2) 0.5152(2) 0.1693(2) 0.0731(18) Uani 1 1 d . . . . .
O5B O 0.2381(2) 0.5902(2) -0.1173(3) 0.0758(19) Uani 1 1 d . . . . .
O2F O 0.7430(2) 0.8698(2) 0.5732(2) 0.0737(19) Uani 1 1 d . . . . .
O4A O -0.0049(2) 0.7693(3) 0.1630(2) 0.0737(18) Uani 1 1 d . . . . .
O10A O 0.0884(2) 0.7352(2) -0.1591(2) 0.0707(17) Uani 1 1 d . . . . .
O12C O -0.0213(3) 0.6973(3) 0.2391(2) 0.0777(19) Uani 1 1 d . . . . .
O2C O 0.1460(2) 0.6184(2) 0.2038(2) 0.0709(17) Uani 1 1 d . . . . .
O3C O 0.1738(2) 0.5303(3) 0.2410(2) 0.0725(17) Uani 1 1 d . . . . .
O7D O 0.4286(2) 0.7591(2) 0.3159(2) 0.0656(16) Uani 1 1 d . . . . .
O1C O 0.0728(3) 0.6778(3) 0.2402(3) 0.081(2) Uani 1 1 d . . . . .
O3D O 0.6844(2) 0.7527(3) 0.4841(2) 0.0742(18) Uani 1 1 d . . . . .
O7C O -0.0741(3) 0.3514(3) 0.2357(2) 0.0788(19) Uani 1 1 d . . . . .
O5F O 0.7320(2) 1.1291(2) 0.6032(2) 0.0686(17) Uani 1 1 d . . . . .
O10C O -0.1672(2) 0.5899(3) 0.2336(2) 0.080(2) Uani 1 1 d . . . . .
O5E O 0.4153(2) 0.8446(3) 0.7068(3) 0.0784(19) Uani 1 1 d . . . . .
O7B O 0.2433(2) 0.4049(3) -0.1513(2) 0.082(2) Uani 1 1 d . . . . .
O5A O -0.0951(2) 0.7421(3) 0.1197(2) 0.0761(19) Uani 1 1 d . . . . .
O2B O 0.2313(2) 0.6011(3) 0.1283(2) 0.0737(18) Uani 1 1 d . . . . .
O9A O -0.0053(2) 0.7517(3) -0.1636(3) 0.080(2) Uani 1 1 d . . . . .
O8D O 0.3573(2) 0.7936(2) 0.3753(2) 0.0711(17) Uani 1 1 d . . . . .
O5C O 0.1113(2) 0.3578(3) 0.2125(3) 0.081(2) Uani 1 1 d . . . . .
O11A O 0.1662(3) 0.6859(3) -0.1169(3) 0.080(2) Uani 1 1 d . . . . .
O9C O -0.1785(2) 0.4962(3) 0.2304(3) 0.0799(19) Uani 1 1 d . . . . .
O2D O 0.6585(3) 0.7824(3) 0.5742(3) 0.087(2) Uani 1 1 d . . . . .
O2E O 0.6750(3) 0.8595(3) 0.6629(2) 0.0756(18) Uani 1 1 d . . . . .
O5D O 0.6093(2) 0.8001(2) 0.3299(3) 0.0754(18) Uani 1 1 d . . . . .
O8C O -0.1502(3) 0.4032(3) 0.1954(3) 0.096(2) Uani 1 1 d . . . . .
O8B O 0.1897(3) 0.3313(3) -0.1132(3) 0.087(2) Uani 1 1 d . . . . .
O22O O 0.7855(3) 1.1309(3) 0.7002(3) 0.089(2) Uani 1 1 d . . . . .
O11F O 0.6884(3) 0.8903(3) 0.3323(3) 0.087(2) Uani 1 1 d . . . . .
O20O O 0.2907(3) 0.7372(3) 0.6327(3) 0.089(2) Uani 1 1 d . . . . .
C1F C 0.8574(3) 0.9395(3) 0.5044(3) 0.0477(19) Uiso 1 1 d . . . . .
H1F H 0.8841 0.9553 0.4885 0.057 Uiso 1 1 calc R U . . .
C6B C 0.3416(3) 0.5632(3) 0.0571(3) 0.0488(19) Uiso 1 1 d . . . . .
C12C C 0.0432(3) 0.3720(3) 0.2657(3) 0.055(2) Uiso 1 1 d . . . . .
C2F C 0.8323(3) 0.8990(3) 0.4821(3) 0.0466(18) Uiso 1 1 d . . . . .
O11C O -0.1097(3) 0.6653(3) 0.1994(3) 0.084(2) Uani 1 1 d . . . . .
C13E C 0.4558(3) 0.9235(3) 0.8135(3) 0.0488(19) Uiso 1 1 d . . . . .
C9F C 0.8418(3) 1.0543(3) 0.5614(3) 0.0463(18) Uiso 1 1 d . . . . .
C26B C 0.2671(3) 0.3949(3) 0.1352(3) 0.057(2) Uiso 1 1 d . . . . .
O24O O 0.3293(3) 0.7686(3) 0.2714(3) 0.093(2) Uani 1 1 d . . . . .
C27F C 0.8134(3) 0.9063(3) 0.3935(3) 0.0503(19) Uiso 1 1 d . . . . .
O7O O 0.2780(3) 0.6967(3) -0.1157(3) 0.093(2) Uani 1 1 d . . . . .
C7B C 0.3694(3) 0.5820(3) 0.0131(3) 0.051(2) Uani 1 1 d . . . . .
H7B H 0.3652 0.6199 0.0133 0.061 Uiso 1 1 calc R U . . .
O10O O 0.2220(3) 0.3401(3) 0.2375(3) 0.090(2) Uani 1 1 d . . . . .
O2O O 0.2811(3) 0.7044(3) 0.1389(3) 0.092(2) Uani 1 1 d . . . . .
C9B C 0.3416(3) 0.5583(3) -0.0325(3) 0.0472(18) Uiso 1 1 d . . . . .
C20F C 0.7956(3) 1.0718(3) 0.3509(3) 0.0464(18) Uiso 1 1 d . . . . .
C23B C 0.3036(3) 0.3366(3) 0.0564(3) 0.054(2) Uiso 1 1 d . . . . .
C16F C 0.8072(3) 1.1319(3) 0.4204(3) 0.052(2) Uiso 1 1 d . . . . .
C6F C 0.8448(3) 0.9586(3) 0.5504(3) 0.051(2) Uiso 1 1 d . . . . .
C22D C 0.4530(3) 0.6464(3) 0.5306(3) 0.054(2) Uiso 1 1 d . . . . .
H22D H 0.4654 0.6197 0.5097 0.064 Uiso 1 1 calc R U . . .
O19O O 0.4238(3) 0.7328(3) 0.7172(3) 0.097(2) Uani 1 1 d . . . . .
C8F C 0.8531(3) 1.0813(3) 0.5226(3) 0.0499(19) Uiso 1 1 d . . . . .
H8F H 0.8815 1.0704 0.5043 0.060 Uiso 1 1 calc R U . . .
C27D C 0.4840(3) 0.6631(3) 0.5703(3) 0.055(2) Uiso 1 1 d . . . . .
C15F C 0.8250(3) 1.0919(3) 0.3909(3) 0.0487(19) Uiso 1 1 d . . . . .
H15F H 0.8578 1.0779 0.3978 0.058 Uiso 1 1 calc R U . . .
C5F C 0.8055(3) 0.9351(3) 0.5732(3) 0.056(2) Uiso 1 1 d . . . . .
O17O O 0.6927(3) 0.8883(3) 0.2267(3) 0.107(3) Uani 1 1 d . . . . .
O18O O 0.5919(3) 0.7774(4) 0.2219(3) 0.113(3) Uani 1 1 d . . . . .
C16B C 0.3127(3) 0.3957(3) -0.0939(3) 0.054(2) Uiso 1 1 d . . . . .
C26A C 0.1789(3) 0.7525(3) -0.0553(3) 0.059(2) Uiso 1 1 d . . . . .
C22B C 0.3323(3) 0.3781(3) 0.0782(3) 0.054(2) Uiso 1 1 d . . . . .
H22B H 0.3641 0.3869 0.0653 0.065 Uiso 1 1 calc R U . . .
C13B C 0.3301(3) 0.4896(3) -0.0942(3) 0.053(2) Uiso 1 1 d . . . . .
C8B C 0.3551(3) 0.5105(3) -0.0543(3) 0.052(2) Uiso 1 1 d . . . . .
H8B H 0.3827 0.4923 -0.0406 0.063 Uiso 1 1 calc R U . . .
C28F C 0.8454(3) 0.8800(3) 0.4301(3) 0.054(2) Uani 1 1 d . . . . .
H28F H 0.8353 0.8431 0.4265 0.064 Uiso 1 1 calc R U . . .
C26D C 0.4663(3) 0.7054(3) 0.5992(3) 0.057(2) Uiso 1 1 d . . . . .
C6D C 0.6293(3) 0.6787(3) 0.4843(3) 0.053(2) Uiso 1 1 d . . . . .
O1O O 0.1704(4) 0.7288(4) 0.2355(3) 0.118(3) Uani 1 1 d . . . . .
C23F C 0.7989(3) 0.9754(3) 0.3409(3) 0.052(2) Uiso 1 1 d . . . . .
C7F C 0.8711(3) 1.0060(3) 0.5742(3) 0.0476(19) Uani 1 1 d . . . . .
H7F H 0.8680 1.0036 0.6095 0.057 Uiso 1 1 calc R U . . .
C13D C 0.5336(3) 0.6856(3) 0.3454(3) 0.055(2) Uiso 1 1 d . . . . .
C32B C 0.4020(3) 0.4276(4) -0.1162(4) 0.064(2) Uani 1 1 d . . . . .
H32A H 0.4158 0.4311 -0.0827 0.077 Uiso 1 1 calc R U . . .
H32B H 0.4076 0.3919 -0.1283 0.077 Uiso 1 1 calc R U . . .
C21D C 0.3746(3) 0.6487(3) 0.4759(3) 0.055(2) Uani 1 1 d . . . . .
H21D H 0.3385 0.6591 0.4824 0.066 Uiso 1 1 calc R U . . .
C10F C 0.7997(3) 1.0706(3) 0.5892(3) 0.054(2) Uiso 1 1 d . . . . .
C26E C 0.6875(3) 1.0556(3) 0.7481(3) 0.054(2) Uiso 1 1 d . . . . .
C27E C 0.6774(3) 1.0308(3) 0.7886(3) 0.057(2) Uiso 1 1 d . . . . .
O15O O 0.7886(3) 0.8599(3) 0.6708(3) 0.097(2) Uani 1 1 d . . . . .
O23I O 0.3533(3) 0.8610(3) 0.4611(3) 0.103(2) Uani 1 1 d . . . . .
C28B C 0.3442(3) 0.4524(3) 0.1404(3) 0.053(2) Uani 1 1 d . . . . .
H28B H 0.3334 0.4569 0.1744 0.064 Uiso 1 1 calc R U . . .
O3I O 0.1469(4) 0.5327(3) 0.1337(3) 0.108(3) Uani 1 1 d . . . . .
C12B C 0.2911(4) 0.5161(4) -0.1149(3) 0.062(2) Uiso 1 1 d . . . . .
C21F C 0.8162(3) 1.0260(3) 0.3206(3) 0.051(2) Uani 1 1 d . . . . .
H21F H 0.7988 1.0270 0.2882 0.061 Uiso 1 1 calc R U . . .
C19F C 0.7482(3) 1.0903(3) 0.3415(3) 0.051(2) Uiso 1 1 d . . . . .
C13F C 0.8254(3) 1.1246(3) 0.5081(3) 0.0480(19) Uiso 1 1 d . . . . .
C20D C 0.3886(3) 0.6766(3) 0.4324(3) 0.053(2) Uiso 1 1 d . . . . .
C3A C 0.1801(3) 0.7610(3) 0.0716(3) 0.053(2) Uiso 1 1 d . . . . .
C4A C 0.1536(3) 0.7443(3) 0.1107(3) 0.053(2) Uiso 1 1 d . . . . .
C27A C 0.1670(3) 0.8021(3) -0.0374(3) 0.055(2) Uiso 1 1 d . . . . .
O18I O 0.5270(4) 0.8712(4) 0.3407(3) 0.122(3) Uani 1 1 d . . . . .
C28D C 0.5357(3) 0.6412(3) 0.5803(3) 0.057(2) Uani 1 1 d . . . . .
H28D H 0.5432 0.6476 0.6155 0.068 Uiso 1 1 calc R U . . .
C3F C 0.7933(3) 0.8764(3) 0.5042(3) 0.059(2) Uiso 1 1 d . . . . .
C24B C 0.2577(4) 0.3247(4) 0.0746(3) 0.064(2) Uiso 1 1 d . . . . .
C19A C -0.0216(3) 0.7820(3) -0.1241(3) 0.059(2) Uiso 1 1 d . . . . .
C24E C 0.6200(3) 1.1160(3) 0.7649(3) 0.052(2) Uiso 1 1 d . . . . .
C12E C 0.4263(3) 0.9057(3) 0.7718(3) 0.059(2) Uiso 1 1 d . . . . .
C10E C 0.4919(3) 0.8432(3) 0.7534(3) 0.055(2) Uiso 1 1 d . . . . .
C27B C 0.3147(3) 0.4067(3) 0.1185(3) 0.057(2) Uiso 1 1 d . . . . .
C3B C 0.2859(3) 0.5281(3) 0.1318(3) 0.053(2) Uiso 1 1 d . . . . .
C15D C 0.4254(3) 0.6585(3) 0.4002(3) 0.054(2) Uiso 1 1 d . . . . .
H15D H 0.4409 0.6266 0.4057 0.065 Uiso 1 1 calc R U . . .
C23D C 0.4050(3) 0.6663(3) 0.5197(3) 0.0503(19) Uiso 1 1 d . . . . .
O13O O 0.7670(3) 0.7588(3) 0.5559(3) 0.105(3) Uani 1 1 d . . . . .
C22F C 0.8279(3) 0.9505(3) 0.3734(3) 0.056(2) Uiso 1 1 d . . . . .
H22F H 0.8605 0.9646 0.3829 0.068 Uiso 1 1 calc R U . . .
C22E C 0.6386(3) 1.0503(3) 0.8181(3) 0.059(2) Uiso 1 1 d . . . . .
H22E H 0.6317 1.0337 0.8464 0.071 Uiso 1 1 calc R U . . .
C2B C 0.3276(3) 0.5010(3) 0.1167(3) 0.052(2) Uiso 1 1 d . . . . .
C14F C 0.8383(3) 1.1528(3) 0.4659(3) 0.052(2) Uani 1 1 d . . . . .
H14F H 0.8261 1.1884 0.4728 0.063 Uiso 1 1 calc R U . . .
C10B C 0.3016(3) 0.5839(3) -0.0536(3) 0.056(2) Uiso 1 1 d . . . . .
C28A C 0.1952(3) 0.8242(3) 0.0088(3) 0.058(2) Uani 1 1 d . . . . .
H28A H 0.2301 0.8088 0.0098 0.069 Uiso 1 1 calc R U . . .
C17F C 0.7593(3) 1.1522(3) 0.4107(3) 0.051(2) Uiso 1 1 d . . . . .
C8E C 0.5017(4) 0.9029(4) 0.8216(3) 0.067(2) Uiso 1 1 d . . . . .
H8E H 0.5224 0.9175 0.8477 0.080 Uiso 1 1 calc R U . . .
C11E C 0.4432(4) 0.8638(3) 0.7424(3) 0.060(2) Uiso 1 1 d . . . . .
C10A C -0.0206(3) 0.7957(3) 0.1233(3) 0.053(2) Uiso 1 1 d . . . . .
C35F C 0.8736(3) 1.0281(3) 0.3124(3) 0.060(2) Uani 1 1 d . . . . .
H35A H 0.8825 1.0619 0.3011 0.071 Uiso 1 1 calc R U . . .
H35B H 0.8927 1.0240 0.3431 0.071 Uiso 1 1 calc R U . . .
C19D C 0.3664(3) 0.7231(3) 0.4249(3) 0.056(2) Uiso 1 1 d . . . . .
O21I O 0.6122(4) 1.0723(4) 0.3507(3) 0.111(3) Uani 1 1 d . . . . .
C14D C 0.4811(3) 0.6633(3) 0.3285(3) 0.056(2) Uani 1 1 d . . . . .
H14D H 0.4731 0.6770 0.2966 0.067 Uiso 1 1 calc R U . . .
C1A C 0.1271(3) 0.8361(4) 0.0723(3) 0.062(2) Uiso 1 1 d . . . . .
H1A H 0.1175 0.8671 0.0588 0.075 Uiso 1 1 calc R U . . .
O11O O 0.0929(3) 0.2485(3) 0.2288(3) 0.101(2) Uani 1 1 d . . . . .
C10D C 0.6262(4) 0.7320(4) 0.3810(3) 0.063(2) Uiso 1 1 d . . . . .
C5B C 0.2981(3) 0.5906(3) 0.0732(3) 0.053(2) Uiso 1 1 d . . . . .
C25B C 0.2393(4) 0.3514(4) 0.1152(3) 0.063(2) Uiso 1 1 d . . . . .
C3E C 0.6892(3) 0.9186(3) 0.7307(3) 0.059(2) Uiso 1 1 d . . . . .
C20E C 0.5172(3) 1.0886(3) 0.8217(3) 0.053(2) Uiso 1 1 d . . . . .
C25D C 0.4179(3) 0.7256(3) 0.5906(3) 0.055(2) Uiso 1 1 d . . . . .
C18F C 0.7304(3) 1.1326(3) 0.3704(3) 0.059(2) Uiso 1 1 d . . . . .
O3O O 0.2552(4) 0.6064(4) 0.2342(4) 0.129(3) Uani 1 1 d . . . . .
C1D C 0.5934(3) 0.6527(3) 0.5095(3) 0.056(2) Uiso 1 1 d . . . . .
H1D H 0.5798 0.6216 0.4949 0.067 Uiso 1 1 calc R U . . .
C2A C 0.1677(3) 0.8072(3) 0.0514(3) 0.052(2) Uiso 1 1 d . . . . .
C3D C 0.5978(4) 0.7153(4) 0.5758(3) 0.064(2) Uiso 1 1 d . . . . .
C24F C 0.7511(3) 0.9555(3) 0.3270(3) 0.053(2) Uiso 1 1 d . . . . .
C25E C 0.6602(3) 1.0976(3) 0.7365(3) 0.054(2) Uiso 1 1 d . . . . .
C5A C 0.1138(3) 0.7733(3) 0.1298(3) 0.056(2) Uiso 1 1 d . . . . .
C12D C 0.5491(3) 0.7321(3) 0.3298(3) 0.056(2) Uiso 1 1 d . . . . .
O20I O 0.3741(3) 0.8436(3) 0.5578(4) 0.111(3) Uani 1 1 d . . . . .
C21B C 0.3238(3) 0.3078(3) 0.0121(4) 0.067(3) Uani 1 1 d . . . . .
H21B H 0.3081 0.2730 0.0107 0.080 Uiso 1 1 calc R U . . .
C16D C 0.4405(3) 0.6836(3) 0.3613(3) 0.061(2) Uiso 1 1 d . . . . .
C18E C 0.4396(3) 1.0873(3) 0.7699(3) 0.059(2) Uiso 1 1 d . . . . .
C17E C 0.4228(3) 1.0405(3) 0.7880(3) 0.055(2) Uiso 1 1 d . . . . .
C9D C 0.6116(3) 0.6856(3) 0.3971(3) 0.055(2) Uiso 1 1 d . . . . .
C13A C -0.0592(4) 0.8435(3) 0.0444(3) 0.061(2) Uiso 1 1 d . . . . .
C1E C 0.6414(3) 0.9090(3) 0.7994(3) 0.058(2) Uiso 1 1 d . . . . .
H1E H 0.6327 0.9209 0.8308 0.070 Uiso 1 1 calc R U . . .
C12F C 0.7833(3) 1.1392(3) 0.5356(3) 0.054(2) Uiso 1 1 d . . . . .
C29F C 0.9285(3) 1.0098(3) 0.5657(3) 0.056(2) Uani 1 1 d . . . . .
H29A H 0.9335 1.0095 0.5308 0.067 Uiso 1 1 calc R U . . .
H29B H 0.9416 1.0428 0.5803 0.067 Uiso 1 1 calc R U . . .
C15A C -0.0129(4) 0.8510(4) -0.0662(3) 0.072(3) Uiso 1 1 d . . . . .
H15A H 0.0059 0.8796 -0.0523 0.086 Uiso 1 1 calc R U . . .
C15E C 0.4985(3) 1.0445(3) 0.8395(3) 0.059(2) Uiso 1 1 d . . . . .
H15E H 0.5181 1.0299 0.8644 0.071 Uiso 1 1 calc R U . . .
C38B C 0.4022(3) 0.4455(3) 0.1431(4) 0.063(2) Uani 1 1 d . . . . .
H38A H 0.4143 0.4374 0.1103 0.076 Uiso 1 1 calc R U . . .
H38B H 0.4184 0.4782 0.1553 0.076 Uiso 1 1 calc R U . . .
C7D C 0.6447(3) 0.6598(3) 0.4339(3) 0.059(2) Uani 1 1 d . . . . .
H7D H 0.6806 0.6719 0.4302 0.071 Uiso 1 1 calc R U . . .
C32F C 0.8957(3) 1.1572(4) 0.4578(3) 0.058(2) Uani 1 1 d . . . . .
H32C H 0.9134 1.1673 0.4889 0.070 Uiso 1 1 calc R U . . .
H32D H 0.9086 1.1231 0.4470 0.070 Uiso 1 1 calc R U . . .
C11C C 0.0928(3) 0.3839(3) 0.2499(3) 0.058(2) Uiso 1 1 d . . . . .
C19B C 0.2544(3) 0.3206(3) -0.0543(3) 0.060(2) Uiso 1 1 d . . . . .
C1B C 0.3549(3) 0.5191(3) 0.0793(3) 0.052(2) Uiso 1 1 d . . . . .
H1B H 0.3838 0.5004 0.0685 0.063 Uiso 1 1 calc R U . . .
O17I O 0.6111(4) 0.9688(4) 0.3382(3) 0.123(3) Uani 1 1 d . . . . .
C24A C 0.1122(3) 0.7600(3) -0.1201(3) 0.059(2) Uiso 1 1 d . . . . .
O16O O 0.7158(3) 0.7832(5) 0.3043(3) 0.132(4) Uani 1 1 d . . . . .
O4O O -0.0961(4) 0.7791(5) 0.2262(4) 0.141(4) Uani 1 1 d . . . . .
C29B C 0.4262(3) 0.5708(3) 0.0155(3) 0.058(2) Uani 1 1 d . . . . .
H1 H 0.4407 0.5827 0.0475 0.069 Uiso 1 1 calc R U . . .
H2 H 0.4314 0.5335 0.0115 0.069 Uiso 1 1 calc R U . . .
O8O O 0.2578(3) 0.5814(3) -0.2206(3) 0.107(3) Uani 1 1 d . . . . .
C30F C 0.9596(3) 0.9677(3) 0.5858(4) 0.060(2) Uani 1 1 d . . . . .
H30A H 0.9476 0.9346 0.5705 0.072 Uiso 1 1 calc R U . . .
H30B H 0.9542 0.9673 0.6207 0.072 Uiso 1 1 calc R U . . .
O9I O -0.0742(3) 0.3722(4) 0.1302(3) 0.113(3) Uani 1 1 d . . . . .
C8A C -0.0140(3) 0.8581(3) 0.0676(3) 0.060(2) Uiso 1 1 d . . . . .
H8A H 0.0046 0.8855 0.0558 0.072 Uiso 1 1 calc R U . . .
C15B C 0.3309(4) 0.3712(3) -0.0552(3) 0.060(2) Uiso 1 1 d . . . . .
H15B H 0.3640 0.3803 -0.0420 0.072 Uiso 1 1 calc R U . . .
C8D C 0.5652(3) 0.6636(3) 0.3784(3) 0.057(2) Uiso 1 1 d . . . . .
H8D H 0.5553 0.6316 0.3894 0.069 Uiso 1 1 calc R U . . .
C24D C 0.3886(3) 0.7072(3) 0.5487(3) 0.059(2) Uiso 1 1 d . . . . .
C9E C 0.5219(3) 0.8611(3) 0.7944(3) 0.056(2) Uiso 1 1 d . . . . .
O4I O -0.0279(4) 0.6596(4) 0.1333(4) 0.131(3) Uani 1 1 d . . . . .
C38F C 0.9032(3) 0.8818(3) 0.4228(3) 0.058(2) Uani 1 1 d . . . . .
H38C H 0.9093 0.8722 0.3886 0.069 Uiso 1 1 calc R U . . .
H38D H 0.9151 0.9174 0.4294 0.069 Uiso 1 1 calc R U . . .
C4F C 0.7789(3) 0.8933(3) 0.5507(3) 0.055(2) Uiso 1 1 d . . . . .
C23E C 0.6094(3) 1.0935(3) 0.8074(3) 0.057(2) Uiso 1 1 d . . . . .
C20A C 0.0067(4) 0.8243(4) -0.1050(3) 0.067(2) Uiso 1 1 d . . . . .
C11D C 0.5951(4) 0.7554(4) 0.3463(3) 0.064(2) Uiso 1 1 d . . . . .
C2E C 0.6794(3) 0.9353(3) 0.7771(3) 0.056(2) Uiso 1 1 d . . . . .
C30B C 0.4546(3) 0.5965(4) -0.0226(4) 0.067(3) Uani 1 1 d . . . . .
H3 H 0.4488 0.6337 -0.0192 0.080 Uiso 1 1 calc R U . . .
H4 H 0.4411 0.5837 -0.0547 0.080 Uiso 1 1 calc R U . . .
C17B C 0.2659(4) 0.3822(4) -0.1140(3) 0.063(2) Uiso 1 1 d . . . . .
C6E C 0.6153(3) 0.8662(3) 0.7783(3) 0.057(2) Uiso 1 1 d . . . . .
C9A C 0.0060(3) 0.8355(3) 0.1066(3) 0.057(2) Uiso 1 1 d . . . . .
C2D C 0.5761(3) 0.6693(3) 0.5550(3) 0.059(2) Uiso 1 1 d . . . . .
C16C C -0.0675(4) 0.4160(4) 0.3039(4) 0.073(3) Uiso 1 1 d . . . . .
C28E C 0.7070(3) 0.9815(3) 0.8009(3) 0.056(2) Uani 1 1 d . . . . .
H28E H 0.7410 0.9833 0.7858 0.067 Uiso 1 1 calc R U . . .
C14C C -0.0240(4) 0.3852(5) 0.3256(4) 0.078(3) Uani 1 1 d . . . . .
H14C H -0.0310 0.3485 0.3158 0.093 Uiso 1 1 calc R U . . .
C11B C 0.2756(3) 0.5641(3) -0.0955(3) 0.058(2) Uiso 1 1 d . . . . .
C8C C 0.0574(4) 0.4404(4) 0.3269(3) 0.062(2) Uiso 1 1 d . . . . .
H8C H 0.0444 0.4606 0.3531 0.075 Uiso 1 1 calc R U . . .
C16E C 0.4522(3) 1.0194(3) 0.8234(3) 0.057(2) Uiso 1 1 d . . . . .
O24I O 0.4253(4) 0.8745(4) 0.3535(3) 0.119(3) Uani 1 1 d . . . . .
O19I O 0.4804(4) 0.8392(3) 0.6239(3) 0.116(3) Uani 1 1 d . . . . .
C11A C -0.0685(4) 0.7798(4) 0.1013(3) 0.067(2) Uiso 1 1 d . . . . .
C11F C 0.7716(3) 1.1134(3) 0.5769(3) 0.052(2) Uiso 1 1 d . . . . .
C14E C 0.4359(4) 0.9675(4) 0.8431(3) 0.066(2) Uani 1 1 d . . . . .
H14E H 0.3977 0.9657 0.8390 0.079 Uiso 1 1 calc R U . . .
C19E C 0.4865(3) 1.1112(3) 0.7859(3) 0.057(2) Uiso 1 1 d . . . . .
C14B C 0.3448(3) 0.4370(3) -0.1158(4) 0.061(2) Uani 1 1 d . . . . .
H14B H 0.3331 0.4365 -0.1503 0.073 Uiso 1 1 calc R U . . .
C28C C 0.0218(3) 0.6566(4) 0.3274(3) 0.066(3) Uani 1 1 d . . . . .
H28C H 0.0281 0.6919 0.3175 0.080 Uiso 1 1 calc R U . . .
O14O O 0.6862(3) 0.7477(3) 0.6703(4) 0.116(3) Uani 1 1 d . . . . .
C20B C 0.3035(4) 0.3336(4) -0.0341(3) 0.063(2) Uiso 1 1 d . . . . .
C7C C 0.1345(4) 0.5005(4) 0.3288(3) 0.072(3) Uani 1 1 d . . . . .
H7C H 0.1709 0.4951 0.3197 0.087 Uiso 1 1 calc R U . . .
C12A C -0.0866(4) 0.8026(3) 0.0611(3) 0.061(2) Uiso 1 1 d . . . . .
C25A C 0.1520(4) 0.7319(4) -0.0978(3) 0.064(2) Uiso 1 1 d . . . . .
C26F C 0.7641(3) 0.8850(3) 0.3797(3) 0.058(2) Uiso 1 1 d . . . . .
O7I O 0.1687(4) 0.6157(4) -0.0412(4) 0.137(4) Uani 1 1 d . . . . .
C24C C -0.1226(4) 0.6052(4) 0.2588(4) 0.073(3) Uiso 1 1 d . . . . .
C35D C 0.3722(4) 0.5899(3) 0.4657(4) 0.068(3) Uani 1 1 d D . . . .
H35C H 0.3556 0.5822 0.4337 0.082 Uiso 1 1 calc R U . . .
H35D H 0.4076 0.5766 0.4648 0.082 Uiso 1 1 calc R U . . .
C27C C -0.0306(4) 0.6386(4) 0.3046(3) 0.066(2) Uiso 1 1 d . . . . .
O21O O 0.6890(4) 1.1622(3) 0.2521(4) 0.124(3) Uani 1 1 d . . . . .
C3C C 0.0850(4) 0.6362(4) 0.2631(3) 0.065(2) Uiso 1 1 d . . . . .
C23C C -0.1063(4) 0.5851(4) 0.3012(3) 0.069(2) Uiso 1 1 d . . . . .
C16A C -0.0589(3) 0.8385(3) -0.0462(3) 0.058(2) Uiso 1 1 d . . . . .
C22A C 0.1273(3) 0.8270(4) -0.0601(3) 0.061(2) Uiso 1 1 d . . . . .
H22A H 0.1173 0.8593 -0.0465 0.074 Uiso 1 1 calc R U . . .
C7A C 0.0569(3) 0.8525(3) 0.1330(4) 0.065(3) Uani 1 1 d . . . . .
H7A H 0.0547 0.8437 0.1671 0.078 Uiso 1 1 calc R U . . .
C20C C -0.1194(4) 0.4902(4) 0.3005(4) 0.070(3) Uiso 1 1 d . . . . .
C32D C 0.4824(4) 0.6045(3) 0.3201(4) 0.064(2) Uani 1 1 d . . . . .
H32E H 0.4919 0.5899 0.3509 0.076 Uiso 1 1 calc R U . . .
H32F H 0.4473 0.5925 0.3106 0.076 Uiso 1 1 calc R U . . .
C18A C -0.0680(4) 0.7684(4) -0.1065(3) 0.069(3) Uiso 1 1 d . . . . .
C17C C -0.0886(4) 0.3962(4) 0.2595(3) 0.067(2) Uiso 1 1 d . . . . .
C17D C 0.4182(3) 0.7302(3) 0.3538(3) 0.056(2) Uiso 1 1 d . . . . .
C10C C 0.1211(4) 0.4263(4) 0.2700(4) 0.081(3) Uiso 1 1 d . . . . .
C6A C 0.1012(4) 0.8211(4) 0.1107(3) 0.062(2) Uiso 1 1 d . . . . .
C18D C 0.3790(3) 0.7514(3) 0.3845(3) 0.057(2) Uiso 1 1 d . . . . .
C4E C 0.6640(3) 0.8759(3) 0.7082(3) 0.056(2) Uiso 1 1 d . . . . .
C21E C 0.5670(3) 1.1120(4) 0.8380(3) 0.056(2) Uani 1 1 d . . . . .
H21E H 0.5636 1.1492 0.8330 0.068 Uiso 1 1 calc R U . . .
C17A C -0.0866(4) 0.7962(4) -0.0674(3) 0.063(2) Uiso 1 1 d . . . . .
O10I O 0.1341(4) 0.4280(4) 0.1418(3) 0.115(3) Uani 1 1 d . . . . .
C2C C 0.0634(4) 0.6228(4) 0.3067(3) 0.070(3) Uiso 1 1 d . . . . .
C25F C 0.7332(3) 0.9110(3) 0.3456(3) 0.060(2) Uiso 1 1 d . . . . .
C32E C 0.4475(4) 0.9664(4) 0.8961(3) 0.080(3) Uani 1 1 d D . . . .
H32G H 0.4838 0.9763 0.9025 0.096 Uiso 1 1 calc R U . . .
H32H H 0.4437 0.9308 0.9052 0.096 Uiso 1 1 calc R U . . .
O2I O 0.1638(4) 0.6285(4) 0.0500(4) 0.120(3) Uani 1 1 d . . . . .
C35B C 0.3807(4) 0.3006(4) 0.0130(5) 0.081(3) Uani 1 1 d . . . . .
H5 H 0.3916 0.2875 0.0442 0.097 Uiso 1 1 calc R U . . .
H6 H 0.3974 0.3341 0.0107 0.097 Uiso 1 1 calc R U . . .
O11I O 0.0309(4) 0.3569(4) 0.1389(3) 0.121(3) Uani 1 1 d . . . . .
O22I O 0.6664(4) 1.0444(4) 0.6231(4) 0.132(3) Uani 1 1 d . . . . .
O6O O 0.2185(4) 0.3142(4) -0.2159(4) 0.136(4) Uani 1 1 d . . . . .
C5D C 0.6496(4) 0.7233(4) 0.5062(3) 0.065(2) Uiso 1 1 d . . . . .
C4D C 0.6369(4) 0.7414(4) 0.5530(3) 0.067(2) Uiso 1 1 d . . . . .
C4B C 0.2717(3) 0.5737(3) 0.1115(3) 0.054(2) Uiso 1 1 d . . . . .
C1C C 0.0803(4) 0.5798(4) 0.3260(4) 0.068(2) Uiso 1 1 d . . . . .
H1C H 0.0650 0.5709 0.3547 0.082 Uiso 1 1 calc R U . . .
C9C C 0.1041(4) 0.4526(4) 0.3093(3) 0.065(2) Uiso 1 1 d . . . . .
C5E C 0.6257(4) 0.8504(4) 0.7318(4) 0.070(3) Uiso 1 1 d . . . . .
C22C C -0.0598(4) 0.6024(4) 0.3233(4) 0.072(3) Uiso 1 1 d . . . . .
H22C H -0.0485 0.5885 0.3523 0.087 Uiso 1 1 calc R U . . .
O16I O 0.6322(4) 0.8655(4) 0.4158(4) 0.135(3) Uani 1 1 d . . . . .
C5C C 0.1381(4) 0.5598(4) 0.2649(3) 0.063(2) Uiso 1 1 d . . . . .
C7E C 0.5747(3) 0.8382(4) 0.8048(3) 0.060(2) Uani 1 1 d . . . . .
H7E H 0.5735 0.8023 0.7905 0.072 Uiso 1 1 calc R U . . .
O12I O -0.1221(4) 0.6646(3) -0.0548(4) 0.115(3) Uani 1 1 d . . . . .
C4C C 0.1236(4) 0.6051(4) 0.2427(3) 0.063(2) Uiso 1 1 d . . . . .
O15I O 0.6731(4) 0.9492(4) 0.6014(4) 0.137(4) Uani 1 1 d . . . . .
C18B C 0.2361(4) 0.3439(4) -0.0929(3) 0.063(2) Uiso 1 1 d . . . . .
O23O O 0.2464(4) 0.7586(4) 0.3839(4) 0.126(3) Uani 1 1 d . . . . .
C18C C -0.1292(4) 0.4224(4) 0.2367(4) 0.073(3) Uiso 1 1 d . . . . .
C13C C 0.0283(4) 0.3984(4) 0.3065(4) 0.075(3) Uiso 1 1 d . . . . .
C25C C -0.0942(4) 0.6449(4) 0.2399(3) 0.064(2) Uiso 1 1 d . . . . .
C29D C 0.6457(4) 0.6013(4) 0.4268(4) 0.076(3) Uani 1 1 d D . . . .
H29C H 0.6103 0.5880 0.4273 0.091 Uiso 1 1 calc R U . . .
H29D H 0.6655 0.5875 0.4539 0.091 Uiso 1 1 calc R U . . .
C23A C 0.1015(4) 0.8081(4) -0.1012(3) 0.065(2) Uiso 1 1 d . . . . .
O5I O -0.1148(4) 0.6688(4) 0.0410(5) 0.140(4) Uani 1 1 d . . . . .
O6I O 0.1308(5) 0.4204(4) -0.1296(4) 0.155(5) Uani 1 1 d . . . . .
C15C C -0.0827(4) 0.4606(4) 0.3210(4) 0.071(3) Uiso 1 1 d . . . . .
H15C H -0.0667 0.4738 0.3503 0.085 Uiso 1 1 calc R U . . .
O14I O 0.5807(4) 0.8493(4) 0.6080(4) 0.128(3) Uani 1 1 d . . . . .
C38E C 0.7178(4) 0.9770(4) 0.8540(3) 0.074(3) Uani 1 1 d D . . . .
H38E H 0.7352 0.9440 0.8576 0.089 Uiso 1 1 calc R U . . .
H38F H 0.6842 0.9747 0.8691 0.089 Uiso 1 1 calc R U . . .
C21A C 0.0587(3) 0.8377(3) -0.1263(4) 0.067(3) Uani 1 1 d . . . . .
H21A H 0.0572 0.8252 -0.1609 0.081 Uiso 1 1 calc R U . . .
O12O O -0.2024(4) 0.7740(4) -0.1390(4) 0.136(4) Uani 1 1 d . . . . .
C29A C 0.0679(4) 0.9101(3) 0.1329(4) 0.079(3) Uani 1 1 d . . . . .
H7 H 0.0646 0.9212 0.0998 0.095 Uiso 1 1 calc R U . . .
H8 H 0.1033 0.9175 0.1453 0.095 Uiso 1 1 calc R U . . .
C21C C -0.1384(4) 0.5427(4) 0.3218(3) 0.079(3) Uani 1 1 d . . . . .
H21C H -0.1746 0.5468 0.3097 0.095 Uiso 1 1 calc R U . . .
C6C C 0.1176(4) 0.5473(4) 0.3080(3) 0.069(2) Uiso 1 1 d . . . . .
C19C C -0.1424(4) 0.4710(4) 0.2561(4) 0.072(3) Uiso 1 1 d . . . . .
O1I O 0.0734(4) 0.6468(4) 0.1290(4) 0.129(3) Uani 1 1 d . . . . .
O8I O 0.1525(3) 0.5221(4) -0.1249(4) 0.130(3) Uani 1 1 d . . . . .
O9O O -0.1728(4) 0.2988(5) 0.2204(4) 0.151(4) Uani 1 1 d . . . . .
C26C C -0.0483(4) 0.6599(4) 0.2621(3) 0.069(3) Uiso 1 1 d . . . . .
C31B C 0.5134(3) 0.5858(4) -0.0184(4) 0.079(3) Uani 1 1 d . . . . .
H31A H 0.5308 0.6028 -0.0434 0.119 Uiso 1 1 calc R U . . .
H31B H 0.5269 0.5989 0.0132 0.119 Uiso 1 1 calc R U . . .
H31C H 0.5193 0.5490 -0.0222 0.119 Uiso 1 1 calc R U . . .
C35E C 0.5780(4) 1.1085(4) 0.8935(3) 0.077(3) Uani 1 1 d D . . . .
H35E H 0.5748 1.0727 0.9021 0.093 Uiso 1 1 calc R U . . .
H35F H 0.6134 1.1203 0.9022 0.093 Uiso 1 1 calc R U . . .
C38A C 0.2021(4) 0.8817(4) 0.0074(4) 0.080(3) Uani 1 1 d . . . . .
H9 H 0.2175 0.8956 0.0384 0.096 Uiso 1 1 calc R U . . .
H10 H 0.1683 0.8979 0.0027 0.096 Uiso 1 1 calc R U . . .
C38D C 0.5374(4) 0.5826(3) 0.5695(4) 0.072(3) Uani 1 1 d . . . . .
H38G H 0.5298 0.5750 0.5348 0.086 Uiso 1 1 calc R U . . .
H38H H 0.5726 0.5707 0.5767 0.086 Uiso 1 1 calc R U . . .
C29E C 0.5868(3) 0.8349(4) 0.8577(3) 0.072(3) Uani 1 1 d D . . . .
H29E H 0.5579 0.8178 0.8723 0.087 Uiso 1 1 calc R U . . .
H29F H 0.5897 0.8699 0.8729 0.087 Uiso 1 1 calc R U . . .
C31F C 1.0167(3) 0.9742(4) 0.5776(4) 0.080(3) Uani 1 1 d . . . . .
H31D H 1.0357 0.9461 0.5912 0.120 Uiso 1 1 calc R U . . .
H31E H 1.0222 0.9740 0.5431 0.120 Uiso 1 1 calc R U . . .
H31F H 1.0288 1.0067 0.5933 0.120 Uiso 1 1 calc R U . . .
O5O O -0.1989(4) 0.7821(4) 0.1231(5) 0.147(4) Uani 1 1 d . . . . .
O13I O 0.6551(4) 0.8643(4) 0.5097(4) 0.139(4) Uani 1 1 d . . . . .
C35A C 0.0680(4) 0.8944(4) -0.1244(4) 0.078(3) Uani 1 1 d . . . . .
H11 H 0.0376 0.9110 -0.1385 0.094 Uiso 1 1 calc R U . . .
H12 H 0.0720 0.9072 -0.0904 0.094 Uiso 1 1 calc R U . . .
C38C C 0.0226(5) 0.6593(5) 0.3835(4) 0.098(4) Uani 1 1 d . . . . .
H13 H 0.0118 0.6258 0.3943 0.117 Uiso 1 1 calc R U . . .
H14 H 0.0580 0.6661 0.3960 0.117 Uiso 1 1 calc R U . . .
C32A C -0.0690(4) 0.9233(3) 0.0023(5) 0.103(5) Uani 1 1 d D . . . .
H15 H -0.0320 0.9293 -0.0022 0.124 Uiso 1 1 calc R U . . .
H16 H -0.0766 0.9363 0.0353 0.124 Uiso 1 1 calc R U . . .
C14A C -0.0784(4) 0.8683(4) -0.0016(5) 0.084(3) Uani 1 1 d . . . . .
H14A H -0.1165 0.8639 -0.0032 0.101 Uiso 1 1 calc R U . . .
C33B C 0.4319(4) 0.4614(4) -0.1451(5) 0.085(3) Uani 1 1 d . . . . .
H33A H 0.4274 0.4972 -0.1327 0.102 Uiso 1 1 calc R U . . .
H33B H 0.4183 0.4584 -0.1787 0.102 Uiso 1 1 calc R U . . .
C35C C -0.1388(5) 0.5471(5) 0.3751(4) 0.103(4) Uani 1 1 d D . . . .
H17 H -0.1488 0.5821 0.3861 0.124 Uiso 1 1 calc R U . . .
H18 H -0.1040 0.5407 0.3885 0.124 Uiso 1 1 calc R U . . .
C39D C 0.4999(4) 0.5525(4) 0.5978(4) 0.081(3) Uani 1 1 d . . . . .
H39A H 0.5115 0.5543 0.6320 0.097 Uiso 1 1 calc R U . . .
H39B H 0.4657 0.5685 0.5957 0.097 Uiso 1 1 calc R U . . .
C36A C 0.1146(5) 0.9094(4) -0.1504(6) 0.115(5) Uani 1 1 d . . . . .
H36A H 0.1116 0.8955 -0.1842 0.138 Uiso 1 1 calc R U . . .
H36B H 0.1455 0.8946 -0.1353 0.138 Uiso 1 1 calc R U . . .
C29C C 0.1344(5) 0.5037(5) 0.3866(4) 0.099(4) Uani 1 1 d D . . . .
H19 H 0.0995 0.5122 0.3971 0.119 Uiso 1 1 calc R U . . .
H20 H 0.1436 0.4701 0.3983 0.119 Uiso 1 1 calc R U . . .
C33D C 0.5168(5) 0.5843(4) 0.2845(5) 0.089(3) Uani 1 1 d . . . . .
H33C H 0.5522 0.5952 0.2940 0.107 Uiso 1 1 calc R U . . .
H33D H 0.5078 0.5987 0.2535 0.107 Uiso 1 1 calc R U . . .
C39F C 0.9345(4) 0.8490(5) 0.4521(5) 0.093(3) Uani 1 1 d . . . . .
H39C H 0.9207 0.8139 0.4476 0.111 Uiso 1 1 calc R U . . .
H39D H 0.9307 0.8605 0.4862 0.111 Uiso 1 1 calc R U . . .
C30A C 0.0284(5) 0.9406(4) 0.1657(6) 0.110(5) Uani 1 1 d . . . . .
H30C H -0.0072 0.9321 0.1546 0.133 Uiso 1 1 calc R U . . .
H30D H 0.0330 0.9314 0.1994 0.133 Uiso 1 1 calc R U . . .
C32C C -0.0245(4) 0.3908(6) 0.3828(3) 0.102(4) Uani 1 1 d D . . . .
H21 H 0.0045 0.3716 0.3965 0.122 Uiso 1 1 calc R U . . .
H22 H -0.0202 0.4272 0.3939 0.122 Uiso 1 1 calc R U . . .
C40D C 0.4954(5) 0.4969(4) 0.5796(5) 0.106(4) Uani 1 1 d . . . . .
H40A H 0.4710 0.4795 0.5989 0.159 Uiso 1 1 calc R U . . .
H40B H 0.4832 0.4948 0.5460 0.159 Uiso 1 1 calc R U . . .
H40C H 0.5290 0.4806 0.5823 0.159 Uiso 1 1 calc R U . . .
C2P C 0.4137(5) 0.7305(5) 0.1772(4) 0.113(4) Uiso 1 1 d D . . . .
H2P H 0.3950 0.7487 0.2011 0.135 Uiso 1 1 calc R U . . .
N1P N 0.3868(5) 0.7005(5) 0.1420(5) 0.157(5) Uiso 1 1 d D . . . .
C30E C 0.6366(5) 0.8059(6) 0.8692(5) 0.127(5) Uani 1 1 d D . . . .
H30E H 0.6314 0.7691 0.8606 0.152 Uiso 1 1 calc R U . . .
H30F H 0.6645 0.8182 0.8496 0.152 Uiso 1 1 calc R U . . .
C30D C 0.6697(9) 0.5821(5) 0.3794(5) 0.168(8) Uani 1 1 d D . . . .
H30G H 0.7052 0.5953 0.3785 0.201 Uiso 1 1 calc R U . . .
H30H H 0.6497 0.5950 0.3520 0.201 Uiso 1 1 calc R U . . .
C36B C 0.3990(5) 0.2640(5) -0.0273(6) 0.119(5) Uani 1 1 d . . . . .
H36C H 0.3935 0.2787 -0.0587 0.143 Uiso 1 1 calc R U . . .
H36D H 0.3803 0.2311 -0.0278 0.143 Uiso 1 1 calc R U . . .
C39C C -0.0123(6) 0.7002(7) 0.4039(5) 0.137(6) Uani 1 1 d . . . . .
H23 H -0.0477 0.6932 0.3913 0.165 Uiso 1 1 calc R U . . .
H24 H -0.0016 0.7335 0.3927 0.165 Uiso 1 1 calc R U . . .
C39B C 0.4200(5) 0.4040(5) 0.1749(7) 0.126(5) Uani 1 1 d . . . . .
H25 H 0.4045 0.4096 0.2066 0.151 Uiso 1 1 calc R U . . .
H26 H 0.4076 0.3706 0.1605 0.151 Uiso 1 1 calc R U . . .
C31A C 0.0385(5) 0.9955(4) 0.1622(6) 0.109(4) Uani 1 1 d . . . . .
H31G H 0.0147 1.0154 0.1821 0.164 Uiso 1 1 calc R U . . .
H31H H 0.0738 1.0034 0.1734 0.164 Uiso 1 1 calc R U . . .
H31I H 0.0337 1.0041 0.1288 0.164 Uiso 1 1 calc R U . . .
C34B C 0.4893(5) 0.4490(7) -0.1444(6) 0.128(5) Uani 1 1 d . . . . .
H34A H 0.5072 0.4725 -0.1640 0.193 Uiso 1 1 calc R U . . .
H34B H 0.5032 0.4527 -0.1113 0.193 Uiso 1 1 calc R U . . .
H34C H 0.4942 0.4139 -0.1573 0.193 Uiso 1 1 calc R U . . .
C33F C 0.9102(5) 1.1945(6) 0.4220(5) 0.114(5) Uani 1 1 d . . . . .
H33E H 0.8957 1.1822 0.3902 0.137 Uiso 1 1 calc R U . . .
H33F H 0.8939 1.2276 0.4308 0.137 Uiso 1 1 calc R U . . .
C33A C -0.0989(6) 0.9545(4) -0.0323(7) 0.210(12) Uani 1 1 d D . . . .
H27 H -0.1359 0.9462 -0.0316 0.252 Uiso 1 1 calc R U . . .
H28 H -0.0874 0.9470 -0.0653 0.252 Uiso 1 1 calc R U . . .
C36E C 0.5390(5) 1.1423(6) 0.9214(4) 0.123(5) Uani 1 1 d D . . . .
H36E H 0.5040 1.1283 0.9153 0.147 Uiso 1 1 calc R U . . .
H36F H 0.5398 1.1773 0.9105 0.147 Uiso 1 1 calc R U . . .
C39A C 0.2371(7) 0.8946(5) -0.0336(6) 0.140(6) Uani 1 1 d . . . . .
H39E H 0.2702 0.8769 -0.0291 0.168 Uiso 1 1 calc R U . . .
H39F H 0.2210 0.8807 -0.0643 0.168 Uiso 1 1 calc R U . . .
C34A C -0.0895(7) 1.0116(4) -0.0166(8) 0.186(10) Uani 1 1 d D . . . .
H34D H -0.1086 1.0329 -0.0386 0.279 Uiso 1 1 calc R U . . .
H34E H -0.1012 1.0186 0.0161 0.279 Uiso 1 1 calc R U . . .
H34F H -0.0528 1.0194 -0.0175 0.279 Uiso 1 1 calc R U . . .
C8P C 0.9166(7) 1.1774(7) 0.7234(6) 0.156(7) Uiso 1 1 d D . . . .
H8P H 0.8971 1.2029 0.7398 0.187 Uiso 1 1 calc R U . . .
C40F C 0.9917(5) 0.8474(7) 0.4420(7) 0.155(7) Uani 1 1 d . . . . .
H40D H 1.0090 0.8244 0.4635 0.232 Uiso 1 1 calc R U . . .
H40E H 0.9962 0.8350 0.4087 0.232 Uiso 1 1 calc R U . . .
H40F H 1.0063 0.8817 0.4474 0.232 Uiso 1 1 calc R U . . .
C3P C 0.4671(5) 0.7351(6) 0.1790(5) 0.155(6) Uiso 1 1 d D . . . .
H3P H 0.4842 0.7555 0.2039 0.186 Uiso 1 1 calc R U . . .
N2P N 0.8906(7) 1.1401(8) 0.6943(7) 0.199(7) Uiso 1 1 d D . . . .
C34D C 0.5147(8) 0.5247(5) 0.2779(7) 0.179(9) Uani 1 1 d . . . . .
H34G H 0.5387 0.5129 0.2535 0.268 Uiso 1 1 calc R U . . .
H34H H 0.5243 0.5101 0.3084 0.268 Uiso 1 1 calc R U . . .
H34I H 0.4799 0.5136 0.2678 0.268 Uiso 1 1 calc R U . . .
C37A C 0.1203(6) 0.9681(5) -0.1491(7) 0.141(6) Uani 1 1 d . . . . .
H37A H 0.1508 0.9770 -0.1662 0.211 Uiso 1 1 calc R U . . .
H37B H 0.0899 0.9827 -0.1645 0.211 Uiso 1 1 calc R U . . .
H37C H 0.1237 0.9818 -0.1157 0.211 Uiso 1 1 calc R U . . .
C30C C 0.1724(6) 0.5442(6) 0.4085(5) 0.133(5) Uiso 1 1 d D . . . .
H29 H 0.2058 0.5386 0.3936 0.159 Uiso 1 1 calc R U . . .
H30 H 0.1600 0.5782 0.4003 0.159 Uiso 1 1 calc R U . . .
C36D C 0.3430(7) 0.5623(5) 0.5030(5) 0.143(6) Uani 1 1 d D . . . .
H36G H 0.3090 0.5781 0.5076 0.171 Uiso 1 1 calc R U . . .
H36H H 0.3623 0.5645 0.5342 0.171 Uiso 1 1 calc R U . . .
C9P C 0.9689(8) 1.1792(7) 0.7294(6) 0.160(7) Uiso 1 1 d D . . . .
H9P H 0.9838 1.2069 0.7486 0.192 Uiso 1 1 calc R U . . .
C6P C 0.4146(6) 0.6740(7) 0.1070(6) 0.163(7) Uiso 1 1 d D . . . .
H6P H 0.3978 0.6505 0.0845 0.196 Uiso 1 1 calc R U . . .
C4P C 0.4950(5) 0.7087(7) 0.1430(6) 0.176(8) Uiso 1 1 d D . . . .
H4P H 0.5314 0.7091 0.1442 0.211 Uiso 1 1 calc R U . . .
C5P C 0.4674(6) 0.6819(7) 0.1052(6) 0.164(7) Uiso 1 1 d D . . . .
H5P H 0.4850 0.6689 0.0779 0.197 Uiso 1 1 calc R U . . .
C36F C 0.8890(7) 0.9874(8) 0.2764(8) 0.192(10) Uani 1 1 d . . . . .
H36I H 0.8788 0.9537 0.2869 0.230 Uiso 1 1 calc R U . . .
H36J H 0.8713 0.9924 0.2451 0.230 Uiso 1 1 calc R U . . .
C40C C -0.0123(8) 0.7042(10) 0.4584(6) 0.202(11) Uani 1 1 d . . . . .
H40G H -0.0357 0.7313 0.4692 0.303 Uiso 1 1 calc R U . . .
H40H H -0.0238 0.6717 0.4698 0.303 Uiso 1 1 calc R U . . .
H40I H 0.0224 0.7120 0.4712 0.303 Uiso 1 1 calc R U . . .
C37E C 0.5533(10) 1.1432(11) 0.9761(5) 0.250 Uiso 1 1 d D U . . .
H37D H 0.5288 1.1644 0.9939 0.375 Uiso 1 1 calc R U . . .
H37E H 0.5522 1.1084 0.9867 0.375 Uiso 1 1 calc R U . . .
H37F H 0.5880 1.1572 0.9820 0.375 Uiso 1 1 calc R U . . .
C39E C 0.7493(7) 1.0178(6) 0.8833(6) 0.158(7) Uiso 1 1 d D . . . .
H39G H 0.7292 1.0493 0.8888 0.190 Uiso 1 1 calc R U . . .
H39H H 0.7809 1.0260 0.8667 0.190 Uiso 1 1 calc R U . . .
C40B C 0.4772(6) 0.4023(8) 0.1818(7) 0.169(8) Uani 1 1 d . . . . .
H40J H 0.4865 0.3748 0.2026 0.253 Uiso 1 1 calc R U . . .
H40K H 0.4927 0.3959 0.1506 0.253 Uiso 1 1 calc R U . . .
H40L H 0.4896 0.4349 0.1967 0.253 Uiso 1 1 calc R U . . .
C34F C 0.9645(6) 1.2032(8) 0.4178(7) 0.162(7) Uani 1 1 d . . . . .
H34J H 0.9698 1.2280 0.3937 0.243 Uiso 1 1 calc R U . . .
H34K H 0.9793 1.2165 0.4488 0.243 Uiso 1 1 calc R U . . .
H34L H 0.9812 1.1710 0.4081 0.243 Uiso 1 1 calc R U . . .
C33C C -0.0755(6) 0.3702(11) 0.4006(5) 0.224(13) Uani 1 1 d D . . . .
H31 H -0.0785 0.3332 0.3920 0.269 Uiso 1 1 calc R U . . .
H32 H -0.1047 0.3875 0.3851 0.269 Uiso 1 1 calc R U . . .
C31D C 0.6700(9) 0.5233(5) 0.3752(8) 0.206(10) Uiso 1 1 d D . . . .
H31J H 0.6853 0.5114 0.3450 0.309 Uiso 1 1 calc R U . . .
H31K H 0.6902 0.5107 0.4022 0.309 Uiso 1 1 calc R U . . .
H31L H 0.6348 0.5104 0.3758 0.309 Uiso 1 1 calc R U . . .
C37B C 0.4587(11) 0.2557(11) -0.0161(10) 0.250 Uiso 1 1 d . U . . .
H37G H 0.4726 0.2324 -0.0410 0.375 Uiso 1 1 calc R U . . .
H37H H 0.4766 0.2886 -0.0156 0.375 Uiso 1 1 calc R U . . .
H37I H 0.4635 0.2412 0.0152 0.375 Uiso 1 1 calc R U . . .
C36C C -0.1768(10) 0.5083(8) 0.3936(7) 0.247(14) Uani 1 1 d D . . . .
H33 H -0.2076 0.5056 0.3718 0.296 Uiso 1 1 calc R U . . .
H34 H -0.1606 0.4743 0.3936 0.296 Uiso 1 1 calc R U . . .
C37D C 0.3366(9) 0.5055(5) 0.4837(8) 0.203(9) Uiso 1 1 d D . . . .
H37J H 0.3180 0.4866 0.5067 0.304 Uiso 1 1 calc R U . . .
H37K H 0.3174 0.5039 0.4529 0.304 Uiso 1 1 calc R U . . .
H37L H 0.3705 0.4903 0.4793 0.304 Uiso 1 1 calc R U . . .
C40A C 0.2469(8) 0.9456(11) -0.0373(8) 0.250 Uiso 1 1 d . U . . .
H40M H 0.2693 0.9499 -0.0642 0.375 Uiso 1 1 calc R U . . .
H40N H 0.2146 0.9636 -0.0428 0.375 Uiso 1 1 calc R U . . .
H40O H 0.2639 0.9598 -0.0075 0.375 Uiso 1 1 calc R U . . .
C34C C -0.0764(10) 0.3804(11) 0.4559(6) 0.250 Uiso 1 1 d D U . . .
H34M H -0.1086 0.3675 0.4676 0.375 Uiso 1 1 calc R U . . .
H34N H -0.0474 0.3630 0.4710 0.375 Uiso 1 1 calc R U . . .
H34O H -0.0736 0.4171 0.4641 0.375 Uiso 1 1 calc R U . . .
C40E C 0.7626(9) 0.9933(9) 0.9314(6) 0.250 Uiso 1 1 d D U . . .
H40P H 0.7831 1.0174 0.9525 0.375 Uiso 1 1 calc R U . . .
H40Q H 0.7309 0.9851 0.9471 0.375 Uiso 1 1 calc R U . . .
H40R H 0.7822 0.9620 0.9251 0.375 Uiso 1 1 calc R U . . .
C31E C 0.6524(10) 0.8139(11) 0.9228(6) 0.250 Uiso 1 1 d D U . . .
H31M H 0.6841 0.7952 0.9293 0.375 Uiso 1 1 calc R U . . .
H31N H 0.6581 0.8503 0.9311 0.375 Uiso 1 1 calc R U . . .
H31O H 0.6251 0.8013 0.9422 0.375 Uiso 1 1 calc R U . . .
C31C C 0.1805(11) 0.5443(9) 0.4626(5) 0.250 Uiso 1 1 d D U . . .
H31P H 0.2052 0.5712 0.4735 0.375 Uiso 1 1 calc R U . . .
H31Q H 0.1478 0.5508 0.4779 0.375 Uiso 1 1 calc R U . . .
H31R H 0.1938 0.5112 0.4712 0.375 Uiso 1 1 calc R U . . .
C37F C 0.9448(12) 0.9891(12) 0.2712(11) 0.250 Uiso 1 1 d . U . . .
H37M H 0.9548 0.9623 0.2474 0.375 Uiso 1 1 calc R U . . .
H37N H 0.9547 1.0225 0.2605 0.375 Uiso 1 1 calc R U . . .
H37O H 0.9621 0.9838 0.3021 0.375 Uiso 1 1 calc R U . . .
C12P C 0.9224(12) 1.1051(12) 0.6715(11) 0.311(19) Uiso 1 1 d D . . . .
H12P H 0.9067 1.0792 0.6506 0.373 Uiso 1 1 calc R U . . .
C37C C -0.1929(10) 0.5246(9) 0.4445(6) 0.250 Uiso 1 1 d D U . . .
H37P H -0.2169 0.4995 0.4554 0.375 Uiso 1 1 calc R U . . .
H37Q H -0.1625 0.5268 0.4662 0.375 Uiso 1 1 calc R U . . .
H37R H -0.2094 0.5580 0.4445 0.375 Uiso 1 1 calc R U . . .
C10P C 1.0021(9) 1.1416(10) 0.7085(9) 0.220(11) Uiso 1 1 d D . . . .
H10P H 1.0380 1.1413 0.7152 0.264 Uiso 1 1 calc R U . . .
C11P C 0.9766(12) 1.1049(11) 0.6767(11) 0.262(14) Uiso 1 1 d D . . . .
H11P H 0.9958 1.0801 0.6590 0.315 Uiso 1 1 calc R U . . .
C34E C 0.3597(6) 0.9772(10) 0.9260(8) 0.250 Uiso 1 1 d D U . . .
H34P H 0.3373 0.9981 0.9465 0.375 Uiso 1 1 calc R U . . .
H34Q H 0.3462 0.9761 0.8927 0.375 Uiso 1 1 calc R U . . .
H34R H 0.3611 0.9425 0.9369 0.375 Uiso 1 1 calc R U . . .
C33E C 0.4144(7) 1.0007(7) 0.9288(8) 0.200 Uiso 1 1 d D U . . .
H33G H 0.4136 1.0358 0.9179 0.240 Uiso 1 1 calc R U . . .
H33H H 0.4285 1.0020 0.9622 0.240 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mg18 O5D 2.013(7) . ?
Mg18 O8E 2.028(6) 2_676 ?
Mg18 O6D 2.039(6) . ?
Mg18 O9E 2.068(7) 2_676 ?
Mg18 O18O 2.193(10) . ?
Mg18 O18I 2.208(10) . ?
Mg18 C11D 2.799(10) . ?
Mg18 C18E 2.807(9) 2_676 ?
Mg18 C19E 2.826(9) 2_676 ?
Mg18 C12D 2.863(9) . ?
Mg20 O11D 2.045(7) . ?
Mg20 O7F 2.055(7) 2_676 ?
Mg20 O8F 2.069(7) 2_676 ?
Mg20 O10D 2.079(7) . ?
Mg20 O20O 2.096(8) . ?
Mg20 O20I 2.149(9) . ?
Mg20 C18F 2.784(9) 2_676 ?
Mg20 C25D 2.820(9) . ?
Mg20 C17F 2.823(9) 2_676 ?
Mg20 C24D 2.866(9) . ?
Mg2 O2B 2.024(7) . ?
Mg2 O2A 2.027(6) . ?
Mg2 O3B 2.044(6) . ?
Mg2 O1A 2.064(6) . ?
Mg2 O2O 2.093(8) . ?
Mg2 O2I 2.189(9) . ?
Mg2 C4B 2.789(9) . ?
Mg2 C4A 2.804(9) . ?
Mg2 C5B 2.810(9) . ?
Mg2 C3A 2.847(9) . ?
Mg24 O8D 2.025(7) . ?
Mg24 O11E 2.034(7) 2_676 ?
Mg24 O10E 2.051(6) 2_676 ?
Mg24 O7D 2.060(7) . ?
Mg24 O24O 2.090(8) . ?
Mg24 O24I 2.157(9) . ?
Mg24 C18D 2.779(9) . ?
Mg24 C25E 2.816(9) 2_676 ?
Mg24 C24E 2.829(9) 2_676 ?
Mg24 C17D 2.860(9) . ?
Mg7 O11A 2.037(7) . ?
Mg7 O5B 2.037(7) . ?
Mg7 O4B 2.057(6) . ?
Mg7 O7O 2.069(8) . ?
Mg7 O12A 2.074(7) . ?
Mg7 O7I 2.170(10) . ?
Mg7 C11B 2.790(9) . ?
Mg7 C25A 2.821(10) . ?
Mg7 C26A 2.846(9) . ?
Mg7 C10B 2.858(9) . ?
Mg23 O5F 2.014(7) 2_676 ?
Mg23 O9D 2.035(6) . ?
Mg23 O8D 2.048(7) . ?
Mg23 O6F 2.050(6) 2_676 ?
Mg23 O23O 2.147(11) . ?
Mg23 O23I 2.152(9) . ?
Mg23 C18D 2.752(9) . ?
Mg23 C11F 2.790(9) 2_676 ?
Mg23 C19D 2.834(9) . ?
Mg23 C12F 2.834(9) 2_676 ?
Mg1 O2C 2.031(7) . ?
Mg1 O3A 2.041(7) . ?
Mg1 O2A 2.043(6) . ?
Mg1 O1C 2.060(7) . ?
Mg1 O1O 2.144(9) . ?
Mg1 O1I 2.163(9) . ?
Mg1 C4A 2.783(9) . ?
Mg1 C4C 2.787(10) . ?
Mg1 C5A 2.807(9) . ?
Mg1 C3C 2.834(10) . ?
Mg19 O11D 2.002(7) . ?
Mg19 O12D 2.058(7) . ?
Mg19 O5E 2.061(7) . ?
Mg19 O19O 2.073(8) . ?
Mg19 O4E 2.084(7) . ?
Mg19 O19I 2.170(9) . ?
Mg19 C25D 2.763(9) . ?
Mg19 C11E 2.803(10) . ?
Mg19 C26D 2.837(9) . ?
Mg19 C10E 2.855(9) . ?
Mg3 O2C 2.030(7) . ?
Mg3 O1B 2.032(7) . ?
Mg3 O2B 2.034(7) . ?
Mg3 O3C 2.058(7) . ?
Mg3 O3O 2.114(11) . ?
Mg3 O3I 2.171(8) . ?
Mg3 C4C 2.785(10) . ?
Mg3 C4B 2.811(9) . ?
Mg3 C5C 2.849(10) . ?
Mg3 C3B 2.864(9) . ?
Mg21 O8F 2.010(7) . ?
Mg21 O9F 2.042(6) . ?
Mg21 O5E 2.045(7) 2_676 ?
Mg21 O6E 2.065(6) 2_676 ?
Mg21 O21O 2.125(11) . ?
Mg21 O21I 2.164(9) . ?
Mg21 C11E 2.777(10) 2_676 ?
Mg21 C18F 2.804(10) . ?
Mg21 C19F 2.837(9) . ?
Mg21 C12E 2.841(10) 2_676 ?
Mg17 O8E 2.017(7) 2_676 ?
Mg17 O11F 2.052(7) . ?
Mg17 O10F 2.059(6) . ?
Mg17 O7E 2.077(7) 2_676 ?
Mg17 O17O 2.112(9) . ?
Mg17 O17I 2.185(10) . ?
Mg17 C25F 2.788(10) . ?
Mg17 C18E 2.800(10) 2_676 ?
Mg17 C17E 2.847(9) 2_676 ?
Mg17 C24F 2.861(9) . ?
Mg10 O5C 2.040(7) . ?
Mg10 O12B 2.059(7) . ?
Mg10 O11B 2.062(8) . ?
Mg10 O4C 2.095(8) . ?
Mg10 O10O 2.115(8) . ?
Mg10 O10I 2.146(10) . ?
Mg10 C25B 2.805(10) . ?
Mg10 C11C 2.833(10) . ?
Mg10 C26B 2.849(9) . ?
Mg10 C10C 2.860(12) . ?
Mg22 O11E 2.027(6) . ?
Mg22 O5F 2.036(6) . ?
Mg22 O4F 2.048(6) . ?
Mg22 O12E 2.064(7) . ?
Mg22 O22O 2.103(8) . ?
Mg22 O22I 2.180(11) . ?
Mg22 C11F 2.784(9) . ?
Mg22 C25E 2.802(9) . ?
Mg22 C10F 2.811(9) . ?
Mg22 C26E 2.850(9) . ?
Mg15 O2F 2.016(7) . ?
Mg15 O1E 2.039(7) . ?
Mg15 O3F 2.041(6) . ?
Mg15 O2E 2.069(7) . ?
Mg15 O15O 2.081(8) . ?
Mg15 O15I 2.228(11) . ?
Mg15 C4F 2.775(9) . ?
Mg15 C4E 2.828(9) . ?
Mg15 C5F 2.837(9) . ?
Mg15 C3E 2.856(9) . ?
Mg4 O11C 2.013(7) . ?
Mg4 O12C 2.015(8) . ?
Mg4 O5A 2.022(8) . ?
Mg4 O4A 2.055(7) . ?
Mg4 O4I 2.178(10) . ?
Mg4 O4O 2.196(12) . ?
Mg4 C25C 2.798(10) . ?
Mg4 C11A 2.813(10) . ?
Mg4 C26C 2.850(11) . ?
Mg4 C10A 2.867(9) . ?
Mg11 O11O 2.033(9) . ?
Mg11 O5C 2.055(7) . ?
Mg11 O6C 2.058(8) . ?
Mg11 O8A 2.067(7) 2_565 ?
Mg11 O9A 2.069(7) 2_565 ?
Mg11 O11I 2.175(9) . ?
Mg11 C11C 2.807(10) . ?
Mg11 C18A 2.828(10) 2_565 ?
Mg11 C12C 2.833(9) . ?
Mg12 O8A 2.006(7) . ?
Mg12 O11B 2.032(7) 2_565 ?
Mg12 O10B 2.039(7) 2_565 ?
Mg12 O7A 2.045(7) . ?
Mg12 O12I 2.141(9) . ?
Mg12 O12O 2.192(12) . ?
Mg12 C25B 2.798(10) 2_565 ?
Mg12 C18A 2.799(10) . ?
Mg12 C17A 2.827(10) . ?
Mg12 C24B 2.846(10) 2_565 ?
Mg13 O2F 2.025(7) . ?
Mg13 O2D 2.039(7) . ?
Mg13 O1F 2.068(6) . ?
Mg13 O3D 2.071(7) . ?
Mg13 O13O 2.075(9) . ?
Mg13 O13I 2.180(11) . ?
Mg13 C4D 2.781(10) . ?
Mg13 C4F 2.793(9) . ?
Mg13 C5D 2.851(10) . ?
Mg14 O2D 2.018(8) . ?
Mg14 O2E 2.026(7) . ?
Mg14 O3E 2.031(7) . ?
Mg14 O1D 2.073(7) . ?
Mg14 O14O 2.120(9) . ?
Mg14 O14I 2.128(11) . ?
Mg14 C4D 2.784(10) . ?
Mg14 C4E 2.810(9) . ?
Mg14 C5E 2.838(10) . ?
Mg14 C3D 2.850(10) . ?
Mg9 O8C 2.014(9) . ?
Mg9 O11A 2.041(7) 2_565 ?
Mg9 O10A 2.053(8) 2_565 ?
Mg9 O7C 2.056(7) . ?
Mg9 O9O 2.095(10) . ?
Mg9 O9I 2.123(9) . ?
Mg9 C18C 2.793(11) . ?
Mg9 C25A 2.805(10) 2_565 ?
Mg9 C17C 2.854(11) . ?
Mg9 C24A 2.862(10) 2_565 ?
Mg5 O5A 2.013(7) . ?
Mg5 O6A 2.028(7) . ?
Mg5 O8B 2.033(7) 2_565 ?
Mg5 O9B 2.049(7) 2_565 ?
Mg5 O5O 2.133(10) . ?
Mg5 O5I 2.173(11) . ?
Mg5 C11A 2.772(10) . ?
Mg5 C18B 2.788(10) 2_565 ?
Mg5 C12A 2.822(10) . ?
Mg5 C19B 2.824(10) 2_565 ?
Mg16 O11F 2.022(7) . ?
Mg16 O5D 2.031(7) . ?
Mg16 O12F 2.041(7) . ?
Mg16 O4D 2.047(7) . ?
Mg16 O16O 2.170(10) . ?
Mg16 O16I 2.174(12) . ?
Mg16 C11D 2.787(10) . ?
Mg16 C25F 2.800(10) . ?
Mg16 C26F 2.801(9) . ?
Mg16 C10D 2.825(10) . ?
Mg6 O8B 2.014(8) . ?
Mg6 O7B 2.041(7) . ?
Mg6 O11C 2.047(7) 2_565 ?
Mg6 O10C 2.076(8) 2_565 ?
Mg6 O6O 2.118(11) . ?
Mg6 O6I 2.177(11) . ?
Mg6 C18B 2.795(10) . ?
Mg6 C25C 2.801(10) 2_565 ?
Mg6 C17B 2.820(10) . ?
Mg6 C24C 2.855(11) 2_565 ?
Mg8 O5B 1.991(7) . ?
Mg8 O8C 2.028(9) 2_565 ?
Mg8 O9C 2.049(7) 2_565 ?
Mg8 O6B 2.067(8) . ?
Mg8 O8O 2.099(8) . ?
Mg8 O8I 2.169(10) . ?
Mg8 C18C 2.765(11) 2_565 ?
Mg8 C11B 2.784(9) . ?
Mg8 C19C 2.827(11) 2_565 ?
O10D C24D 1.375(10) . ?
O3B C5B 1.367(10) . ?
O9F C19F 1.369(10) . ?
O4F C10F 1.360(10) . ?
O12A C26A 1.336(10) . ?
O10B C24B 1.377(11) . ?
O10B Mg12 2.039(7) 2_565 ?
O6E C12E 1.354(10) . ?
O6E Mg21 2.065(6) 2_676 ?
O1A C3A 1.366(10) . ?
O9E C19E 1.320(10) . ?
O9E Mg18 2.068(7) 2_676 ?
O3A C5A 1.353(10) . ?
O1F C3F 1.415(11) . ?
O8F C18F 1.306(10) . ?
O8F Mg20 2.069(7) 2_676 ?
O1E C3E 1.400(10) . ?
O10F C24F 1.366(10) . ?
O4B C10B 1.383(10) . ?
O12D C26D 1.368(10) . ?
O11E C25E 1.350(10) . ?
O11E Mg24 2.034(7) 2_676 ?
O11B C25B 1.322(11) . ?
O11B Mg12 2.032(7) 2_565 ?
O4D C10D 1.357(11) . ?
O10E C24E 1.361(10) . ?
O10E Mg24 2.051(6) 2_676 ?
O9D C19D 1.359(10) . ?
O3F C5F 1.394(10) . ?
O7E C17E 1.329(10) . ?
O7E Mg17 2.077(7) 2_676 ?
O12E C26E 1.364(10) . ?
O12B C26B 1.337(11) . ?
O4C C10C 1.344(12) . ?
O6F C12F 1.360(10) . ?
O6F Mg23 2.050(6) 2_676 ?
O7F C17F 1.347(10) . ?
O7F Mg20 2.055(7) 2_676 ?
O8E C18E 1.348(11) . ?
O8E Mg17 2.017(7) 2_676 ?
O8E Mg18 2.028(6) 2_676 ?
O7A C17A 1.378(11) . ?
O12F C26F 1.334(10) . ?
O6B C12B 1.421(11) . ?
O8A C18A 1.360(11) . ?
O8A Mg11 2.067(7) 2_565 ?
O2A C4A 1.326(10) . ?
O6D C12D 1.408(10) . ?
O6C C12C 1.327(11) . ?
O3E C5E 1.370(12) . ?
O6A C12A 1.357(11) . ?
O4E C10E 1.358(10) . ?
O9B C19B 1.376(11) . ?
O9B Mg5 2.049(7) 2_565 ?
O1D C3D 1.357(11) . ?
O11D C25D 1.332(10) . ?
O1B C3B 1.383(10) . ?
O5B C11B 1.346(11) . ?
O2F C4F 1.321(10) . ?
O4A C10A 1.396(11) . ?
O10A C24A 1.364(11) . ?
O10A Mg9 2.053(8) 2_565 ?
O12C C26C 1.409(12) . ?
O2C C4C 1.319(11) . ?
O3C C5C 1.379(11) . ?
O7D C17D 1.377(10) . ?
O1C C3C 1.336(12) . ?
O3D C5D 1.379(11) . ?
O7C C17C 1.375(12) . ?
O5F C11F 1.340(10) . ?
O5F Mg23 2.014(7) 2_676 ?
O10C C24C 1.384(12) . ?
O10C Mg6 2.076(8) 2_565 ?
O5E C11E 1.287(11) . ?
O5E Mg21 2.045(7) 2_676 ?
O7B C17B 1.352(11) . ?
O5A C11A 1.348(11) . ?
O2B C4B 1.359(10) . ?
O9A C19A 1.400(11) . ?
O9A Mg11 2.069(7) 2_565 ?
O8D C18D 1.283(10) . ?
O5C C11C 1.321(11) . ?
O11A C25A 1.348(11) . ?
O11A Mg9 2.041(7) 2_565 ?
O9C C19C 1.362(12) . ?
O9C Mg8 2.049(7) 2_565 ?
O2D C4D 1.312(11) . ?
O2E C4E 1.354(10) . ?
O5D C11D 1.343(11) . ?
O8C C18C 1.331(12) . ?
O8C Mg8 2.028(9) 2_565 ?
O8B C18B 1.348(11) . ?
O8B Mg5 2.033(7) 2_565 ?
O11F C25F 1.320(11) . ?
C1F C2F 1.352(11) . ?
C1F C6F 1.403(11) . ?
C1F H1F 0.9500 . ?
C6B C1B 1.387(11) . ?
C6B C5B 1.419(11) . ?
C6B C7B 1.557(11) . ?
C12C C13C 1.366(13) . ?
C12C C11C 1.424(12) . ?
C2F C3F 1.365(12) . ?
C2F C28F 1.557(11) . ?
O11C C25C 1.333(11) . ?
O11C Mg6 2.047(7) 2_565 ?
C13E C8E 1.334(12) . ?
C13E C12E 1.428(12) . ?
C13E C14E 1.486(12) . ?
C9F C8F 1.374(11) . ?
C9F C10F 1.420(11) . ?
C9F C7F 1.539(11) . ?
C26B C27B 1.384(12) . ?
C26B C25B 1.425(13) . ?
C27F C22F 1.380(12) . ?
C27F C26F 1.431(12) . ?
C27F C28F 1.501(12) . ?
C7B C29B 1.515(11) . ?
C7B C9B 1.538(11) . ?
C7B H7B 1.0000 . ?
C9B C10B 1.380(11) . ?
C9B C8B 1.414(11) . ?
C20F C19F 1.355(11) . ?
C20F C15F 1.407(11) . ?
C20F C21F 1.536(11) . ?
C23B C24B 1.362(12) . ?
C23B C22B 1.415(12) . ?
C23B C21B 1.521(13) . ?
C16F C17F 1.384(12) . ?
C16F C15F 1.387(11) . ?
C16F C14F 1.552(12) . ?
C6F C5F 1.388(12) . ?
C6F C7F 1.525(11) . ?
C22D C23D 1.390(11) . ?
C22D C27D 1.398(12) . ?
C22D H22D 0.9500 . ?
C8F C13F 1.421(11) . ?
C8F H8F 0.9500 . ?
C27D C26D 1.421(12) . ?
C27D C28D 1.491(12) . ?
C15F H15F 0.9500 . ?
C5F C4F 1.400(12) . ?
C16B C15B 1.363(12) . ?
C16B C17B 1.364(12) . ?
C16B C14B 1.541(12) . ?
C26A C27A 1.405(12) . ?
C26A C25A 1.432(13) . ?
C22B C27B 1.407(12) . ?
C22B H22B 0.9500 . ?
C13B C8B 1.356(11) . ?
C13B C12B 1.367(12) . ?
C13B C14B 1.527(12) . ?
C8B H8B 0.9500 . ?
C28F C38F 1.532(11) . ?
C28F H28F 1.0000 . ?
C26D C25D 1.392(12) . ?
C6D C5D 1.383(12) . ?
C6D C1D 1.394(12) . ?
C6D C7D 1.534(12) . ?
C23F C22F 1.363(12) . ?
C23F C24F 1.384(12) . ?
C23F C21F 1.550(12) . ?
C7F C29F 1.531(11) . ?
C7F H7F 1.0000 . ?
C13D C8D 1.374(12) . ?
C13D C12D 1.386(12) . ?
C13D C14D 1.535(12) . ?
C32B C33B 1.479(14) . ?
C32B C14B 1.516(12) . ?
C32B H32A 0.9900 . ?
C32B H32B 0.9900 . ?
C21D C23D 1.483(12) . ?
C21D C20D 1.516(12) . ?
C21D C35D 1.553(11) . ?
C21D H21D 1.0000 . ?
C10F C11F 1.399(12) . ?
C26E C25E 1.367(12) . ?
C26E C27E 1.372(12) . ?
C27E C22E 1.408(12) . ?
C27E C28E 1.561(12) . ?
C28B C27B 1.507(12) . ?
C28B C38B 1.528(12) . ?
C28B C2B 1.534(11) . ?
C28B H28B 1.0000 . ?
C12B C11B 1.407(12) . ?
C21F C35F 1.526(12) . ?
C21F H21F 1.0000 . ?
C19F C18F 1.421(12) . ?
C13F C12F 1.404(11) . ?
C13F C14F 1.481(11) . ?
C20D C19D 1.376(12) . ?
C20D C15D 1.404(12) . ?
C3A C2A 1.404(12) . ?
C3A C4A 1.409(12) . ?
C4A C5A 1.392(12) . ?
C27A C22A 1.384(12) . ?
C27A C28A 1.543(12) . ?
C28D C2D 1.508(12) . ?
C28D C38D 1.553(12) . ?
C28D H28D 1.0000 . ?
C3F C4F 1.413(12) . ?
C24B C25B 1.398(13) . ?
C24B Mg12 2.846(10) 2_565 ?
C19A C18A 1.378(13) . ?
C19A C20A 1.398(13) . ?
C24E C23E 1.397(12) . ?
C24E C25E 1.408(12) . ?
C24E Mg24 2.829(9) 2_676 ?
C12E C11E 1.414(13) . ?
C12E Mg21 2.841(10) 2_676 ?
C10E C11E 1.414(12) . ?
C10E C9E 1.418(12) . ?
C3B C2B 1.366(11) . ?
C3B C4B 1.405(12) . ?
C15D C16D 1.377(12) . ?
C15D H15D 0.9500 . ?
C23D C24D 1.382(12) . ?
C22F H22F 0.9500 . ?
C22E C23E 1.410(12) . ?
C22E H22E 0.9500 . ?
C2B C1B 1.393(11) . ?
C14F C32F 1.529(11) . ?
C14F H14F 1.0000 . ?
C10B C11B 1.405(12) . ?
C28A C2A 1.502(12) . ?
C28A C38A 1.524(12) . ?
C28A H28A 1.0000 . ?
C17F C18F 1.402(12) . ?
C17F Mg20 2.823(9) 2_676 ?
C8E C9E 1.411(13) . ?
C8E H8E 0.9500 . ?
C11E Mg21 2.777(10) 2_676 ?
C10A C9A 1.370(12) . ?
C10A C11A 1.424(13) . ?
C35F C36F 1.49(2) . ?
C35F H35A 0.9900 . ?
C35F H35B 0.9900 . ?
C19D C18D 1.439(12) . ?
C14D C16D 1.504(12) . ?
C14D C32D 1.549(11) . ?
C14D H14D 1.0000 . ?
C1A C6A 1.369(12) . ?
C1A C2A 1.426(12) . ?
C1A H1A 0.9500 . ?
C10D C9D 1.384(12) . ?
C10D C11D 1.414(13) . ?
C5B C4B 1.390(12) . ?
C25B Mg12 2.798(10) 2_565 ?
C3E C2E 1.378(12) . ?
C3E C4E 1.401(12) . ?
C20E C15E 1.386(12) . ?
C20E C19E 1.421(12) . ?
C20E C21E 1.481(12) . ?
C25D C24D 1.433(12) . ?
C18F Mg20 2.783(9) 2_676 ?
C1D C2D 1.412(12) . ?
C1D H1D 0.9500 . ?
C3D C2D 1.415(13) . ?
C3D C4D 1.421(13) . ?
C24F C25F 1.397(12) . ?
C25E Mg24 2.816(9) 2_676 ?
C5A C6A 1.431(13) . ?
C12D C11D 1.398(13) . ?
C21B C35B 1.497(13) . ?
C21B C20B 1.573(14) . ?
C21B H21B 1.0000 . ?
C16D C17D 1.381(12) . ?
C18E C19E 1.418(12) . ?
C18E C17E 1.433(12) . ?
C18E Mg17 2.800(10) 2_676 ?
C18E Mg18 2.807(9) 2_676 ?
C17E C16E 1.376(12) . ?
C17E Mg17 2.847(9) 2_676 ?
C9D C8D 1.410(12) . ?
C9D C7D 1.513(12) . ?
C13A C8A 1.370(12) . ?
C13A C12A 1.404(13) . ?
C13A C14A 1.546(14) . ?
C1E C2E 1.394(12) . ?
C1E C6E 1.401(12) . ?
C1E H1E 0.9500 . ?
C12F C11F 1.418(12) . ?
C12F Mg23 2.834(9) 2_676 ?
C29F C30F 1.498(12) . ?
C29F H29A 0.9900 . ?
C29F H29B 0.9900 . ?
C15A C20A 1.371(13) . ?
C15A C16A 1.391(13) . ?
C15A H15A 0.9500 . ?
C15E C16E 1.420(12) . ?
C15E H15E 0.9500 . ?
C38B C39B 1.513(16) . ?
C38B H38A 0.9900 . ?
C38B H38B 0.9900 . ?
C7D C29D 1.538(12) . ?
C7D H7D 1.0000 . ?
C32F C33F 1.501(15) . ?
C32F H32C 0.9900 . ?
C32F H32D 0.9900 . ?
C11C C10C 1.409(14) . ?
C19B C18B 1.349(13) . ?
C19B C20B 1.413(13) . ?
C19B Mg5 2.824(10) 2_565 ?
C1B H1B 0.9500 . ?
C24A C23A 1.371(13) . ?
C24A C25A 1.426(13) . ?
C24A Mg9 2.862(10) 2_565 ?
C29B C30B 1.512(12) . ?
C29B H1 0.9900 . ?
C29B H2 0.9900 . ?
C30F C31F 1.528(12) . ?
C30F H30A 0.9900 . ?
C30F H30B 0.9900 . ?
C8A C9A 1.362(12) . ?
C8A H8A 0.9500 . ?
C15B C20B 1.392(13) . ?
C15B H15B 0.9500 . ?
C8D H8D 0.9500 . ?
C9E C7E 1.532(12) . ?
C38F C39F 1.457(14) . ?
C38F H38C 0.9900 . ?
C38F H38D 0.9900 . ?
C23E C21E 1.489(12) . ?
C20A C21A 1.551(13) . ?
C2E C28E 1.515(12) . ?
C30B C31B 1.562(13) . ?
C30B H3 0.9900 . ?
C30B H4 0.9900 . ?
C17B C18B 1.440(13) . ?
C6E C5E 1.375(13) . ?
C6E C7E 1.530(12) . ?
C9A C7A 1.546(12) . ?
C16C C15C 1.305(13) . ?
C16C C17C 1.409(14) . ?
C16C C14C 1.527(15) . ?
C28E C38E 1.511(12) . ?
C28E H28E 1.0000 . ?
C14C C13C 1.532(14) . ?
C14C C32C 1.597(14) . ?
C14C H14C 1.0000 . ?
C8C C9C 1.375(13) . ?
C8C C13C 1.418(14) . ?
C8C H8C 0.9500 . ?
C16E C14E 1.566(13) . ?
C11A C12A 1.375(13) . ?
C11F Mg23 2.790(9) 2_676 ?
C14E C32E 1.504(13) . ?
C14E H14E 1.0000 . ?
C19E Mg18 2.826(9) 2_676 ?
C14B H14B 1.0000 . ?
C28C C2C 1.513(13) . ?
C28C C27C 1.549(13) . ?
C28C C38C 1.563(14) . ?
C28C H28C 1.0000 . ?
C7C C6C 1.454(14) . ?
C7C C9C 1.545(13) . ?
C7C C29C 1.612(14) . ?
C7C H7C 1.0000 . ?
C25A Mg9 2.805(10) 2_565 ?
C26F C25F 1.433(12) . ?
C24C C23C 1.383(14) . ?
C24C C25C 1.418(14) . ?
C24C Mg6 2.855(11) 2_565 ?
C35D C36D 1.532(9) . ?
C35D H35C 0.9900 . ?
C35D H35D 0.9900 . ?
C27C C22C 1.357(13) . ?
C27C C26C 1.411(13) . ?
C3C C4C 1.411(13) . ?
C3C C2C 1.425(13) . ?
C23C C22C 1.403(14) . ?
C23C C21C 1.546(14) . ?
C16A C17A 1.411(13) . ?
C16A C14A 1.531(15) . ?
C22A C23A 1.375(12) . ?
C22A H22A 0.9500 . ?
C7A C29A 1.542(13) . ?
C7A C6A 1.548(13) . ?
C7A H7A 1.0000 . ?
C20C C15C 1.369(14) . ?
C20C C19C 1.422(14) . ?
C20C C21C 1.557(15) . ?
C32D C33D 1.439(14) . ?
C32D H32E 0.9900 . ?
C32D H32F 0.9900 . ?
C18A C17A 1.380(13) . ?
C18A Mg11 2.828(10) 2_565 ?
C17C C18C 1.419(14) . ?
C17D C18D 1.450(12) . ?
C10C C9C 1.350(14) . ?
C4E C5E 1.409(13) . ?
C21E C35E 1.576(12) . ?
C21E H21E 1.0000 . ?
C2C C1C 1.353(13) . ?
C32E C33E 1.532(9) . ?
C32E H32G 0.9900 . ?
C32E H32H 0.9900 . ?
C35B C36B 1.526(18) . ?
C35B H5 0.9900 . ?
C35B H6 0.9900 . ?
C5D C4D 1.415(13) . ?
C1C C6C 1.385(13) . ?
C1C H1C 0.9500 . ?
C22C H22C 0.9500 . ?
C5C C6C 1.394(13) . ?
C5C C4C 1.424(13) . ?
C7E C29E 1.509(12) . ?
C7E H7E 1.0000 . ?
C18B Mg5 2.788(10) 2_565 ?
C18C C19C 1.404(14) . ?
C18C Mg8 2.765(11) 2_565 ?
C25C C26C 1.375(13) . ?
C25C Mg6 2.800(10) 2_565 ?
C29D C30D 1.541(9) . ?
C29D H29C 0.9900 . ?
C29D H29D 0.9900 . ?
C23A C21A 1.537(13) . ?
C15C H15C 0.9500 . ?
C38E C39E 1.529(9) . ?
C38E H38E 0.9900 . ?
C38E H38F 0.9900 . ?
C21A C35A 1.506(12) . ?
C21A H21A 1.0000 . ?
C29A C30A 1.589(15) . ?
C29A H7 0.9900 . ?
C29A H8 0.9900 . ?
C21C C35C 1.488(13) . ?
C21C H21C 1.0000 . ?
C19C Mg8 2.827(11) 2_565 ?
C31B H31A 0.9800 . ?
C31B H31B 0.9800 . ?
C31B H31C 0.9800 . ?
C35E C36E 1.551(9) . ?
C35E H35E 0.9900 . ?
C35E H35F 0.9900 . ?
C38A C39A 1.545(18) . ?
C38A H9 0.9900 . ?
C38A H10 0.9900 . ?
C38D C39D 1.530(14) . ?
C38D H38G 0.9900 . ?
C38D H38H 0.9900 . ?
C29E C30E 1.543(9) . ?
C29E H29E 0.9900 . ?
C29E H29F 0.9900 . ?
C31F H31D 0.9800 . ?
C31F H31E 0.9800 . ?
C31F H31F 0.9800 . ?
C35A C36A 1.504(16) . ?
C35A H11 0.9900 . ?
C35A H12 0.9900 . ?
C38C C39C 1.510(19) . ?
C38C H13 0.9900 . ?
C38C H14 0.9900 . ?
C32A C14A 1.463(13) . ?
C32A C33A 1.504(9) . ?
C32A H15 0.9900 . ?
C32A H16 0.9900 . ?
C14A H14A 1.0000 . ?
C33B C34B 1.534(16) . ?
C33B H33A 0.9900 . ?
C33B H33B 0.9900 . ?
C35C C36C 1.546(10) . ?
C35C H17 0.9900 . ?
C35C H18 0.9900 . ?
C39D C40D 1.518(15) . ?
C39D H39A 0.9900 . ?
C39D H39B 0.9900 . ?
C36A C37A 1.547(16) . ?
C36A H36A 0.9900 . ?
C36A H36B 0.9900 . ?
C29C C30C 1.535(9) . ?
C29C H19 0.9900 . ?
C29C H20 0.9900 . ?
C33D C34D 1.568(17) . ?
C33D H33C 0.9900 . ?
C33D H33D 0.9900 . ?
C39F C40F 1.529(17) . ?
C39F H39C 0.9900 . ?
C39F H39D 0.9900 . ?
C30A C31A 1.477(16) . ?
C30A H30C 0.9900 . ?
C30A H30D 0.9900 . ?
C32C C33C 1.546(9) . ?
C32C H21 0.9900 . ?
C32C H22 0.9900 . ?
C40D H40A 0.9800 . ?
C40D H40B 0.9800 . ?
C40D H40C 0.9800 . ?
C2P N1P 1.389(8) . ?
C2P C3P 1.397(9) . ?
C2P H2P 0.9500 . ?
N1P C6P 1.392(9) . ?
C30E C31E 1.543(9) . ?
C30E H30E 0.9900 . ?
C30E H30F 0.9900 . ?
C30D C31D 1.544(9) . ?
C30D H30G 0.9900 . ?
C30D H30H 0.9900 . ?
C36B C37B 1.60(3) . ?
C36B H36C 0.9900 . ?
C36B H36D 0.9900 . ?
C39C C40C 1.52(2) . ?
C39C H23 0.9900 . ?
C39C H24 0.9900 . ?
C39B C40B 1.499(19) . ?
C39B H25 0.9900 . ?
C39B H26 0.9900 . ?
C31A H31G 0.9800 . ?
C31A H31H 0.9800 . ?
C31A H31I 0.9800 . ?
C34B H34A 0.9800 . ?
C34B H34B 0.9800 . ?
C34B H34C 0.9800 . ?
C33F C34F 1.446(18) . ?
C33F H33E 0.9900 . ?
C33F H33F 0.9900 . ?
C33A C34A 1.553(9) . ?
C33A H27 0.9900 . ?
C33A H28 0.9900 . ?
C36E C37E 1.559(9) . ?
C36E H36E 0.9900 . ?
C36E H36F 0.9900 . ?
C39A C40A 1.38(3) . ?
C39A H39E 0.9900 . ?
C39A H39F 0.9900 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C8P C9P 1.371(19) . ?
C8P N2P 1.391(19) . ?
C8P H8P 0.9500 . ?
C40F H40D 0.9800 . ?
C40F H40E 0.9800 . ?
C40F H40F 0.9800 . ?
C3P C4P 1.412(9) . ?
C3P H3P 0.9500 . ?
N2P C12P 1.38(2) . ?
C34D H34G 0.9800 . ?
C34D H34H 0.9800 . ?
C34D H34I 0.9800 . ?
C37A H37A 0.9800 . ?
C37A H37B 0.9800 . ?
C37A H37C 0.9800 . ?
C30C C31C 1.518(9) . ?
C30C H29 0.9900 . ?
C30C H30 0.9900 . ?
C36D C37D 1.562(9) . ?
C36D H36G 0.9900 . ?
C36D H36H 0.9900 . ?
C9P C10P 1.43(2) . ?
C9P H9P 0.9500 . ?
C6P C5P 1.395(9) . ?
C6P H6P 0.9500 . ?
C4P C5P 1.408(9) . ?
C4P H4P 0.9500 . ?
C5P H5P 0.9500 . ?
C36F C37F 1.47(3) . ?
C36F H36I 0.9900 . ?
C36F H36J 0.9900 . ?
C40C H40G 0.9800 . ?
C40C H40H 0.9800 . ?
C40C H40I 0.9800 . ?
C37E H37D 0.9800 . ?
C37E H37E 0.9800 . ?
C37E H37F 0.9800 . ?
C39E C40E 1.557(10) . ?
C39E H39G 0.9900 . ?
C39E H39H 0.9900 . ?
C40B H40J 0.9800 . ?
C40B H40K 0.9800 . ?
C40B H40L 0.9800 . ?
C34F H34J 0.9800 . ?
C34F H34K 0.9800 . ?
C34F H34L 0.9800 . ?
C33C C34C 1.555(10) . ?
C33C H31 0.9900 . ?
C33C H32 0.9900 . ?
C31D H31J 0.9800 . ?
C31D H31K 0.9800 . ?
C31D H31L 0.9800 . ?
C37B H37G 0.9800 . ?
C37B H37H 0.9800 . ?
C37B H37I 0.9800 . ?
C36C C37C 1.532(10) . ?
C36C H33 0.9900 . ?
C36C H34 0.9900 . ?
C37D H37J 0.9800 . ?
C37D H37K 0.9800 . ?
C37D H37L 0.9800 . ?
C40A H40M 0.9800 . ?
C40A H40N 0.9800 . ?
C40A H40O 0.9800 . ?
C34C H34M 0.9800 . ?
C34C H34N 0.9800 . ?
C34C H34O 0.9800 . ?
C40E H40P 0.9800 . ?
C40E H40Q 0.9800 . ?
C40E H40R 0.9800 . ?
C31E H31M 0.9800 . ?
C31E H31N 0.9800 . ?
C31E H31O 0.9800 . ?
C31C H31P 0.9800 . ?
C31C H31Q 0.9800 . ?
C31C H31R 0.9800 . ?
C37F H37M 0.9800 . ?
C37F H37N 0.9800 . ?
C37F H37O 0.9800 . ?
C12P C11P 1.42(2) . ?
C12P H12P 0.9500 . ?
C37C H37P 0.9800 . ?
C37C H37Q 0.9800 . ?
C37C H37R 0.9800 . ?
C10P C11P 1.42(2) . ?
C10P H10P 0.9500 . ?
C11P H11P 0.9500 . ?
C34E C33E 1.552(10) . ?
C34E H34P 0.9800 . ?
C34E H34Q 0.9800 . ?
C34E H34R 0.9800 . ?
C33E H33G 0.9900 . ?
C33E H33H 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5D Mg18 O8E 102.0(3) . 2_676 ?
O5D Mg18 O6D 82.3(3) . . ?
O8E Mg18 O6D 175.4(3) 2_676 . ?
O5D Mg18 O9E 174.2(3) . 2_676 ?
O8E Mg18 O9E 81.5(3) 2_676 2_676 ?
O6D Mg18 O9E 94.0(3) . 2_676 ?
O5D Mg18 O18O 93.2(3) . . ?
O8E Mg18 O18O 93.6(3) 2_676 . ?
O6D Mg18 O18O 87.6(3) . . ?
O9E Mg18 O18O 91.1(3) 2_676 . ?
O5D Mg18 O18I 85.3(3) . . ?
O8E Mg18 O18I 85.4(4) 2_676 . ?
O6D Mg18 O18I 93.5(3) . . ?
O9E Mg18 O18I 90.5(3) 2_676 . ?
O18O Mg18 O18I 177.9(4) . . ?
O5D Mg18 C11D 26.5(3) . . ?
O8E Mg18 C11D 128.5(3) 2_676 . ?
O6D Mg18 C11D 55.8(3) . . ?
O9E Mg18 C11D 149.8(3) 2_676 . ?
O18O Mg18 C11D 90.1(3) . . ?
O18I Mg18 C11D 89.1(3) . . ?
O5D Mg18 C18E 128.6(3) . 2_676 ?
O8E Mg18 C18E 26.7(3) 2_676 2_676 ?
O6D Mg18 C18E 148.9(3) . 2_676 ?
O9E Mg18 C18E 54.9(3) 2_676 2_676 ?
O18O Mg18 C18E 92.8(3) . 2_676 ?
O18I Mg18 C18E 87.1(3) . 2_676 ?
C11D Mg18 C18E 155.1(3) . 2_676 ?
O5D Mg18 C19E 157.7(3) . 2_676 ?
O8E Mg18 C19E 55.8(3) 2_676 2_676 ?
O6D Mg18 C19E 119.8(3) . 2_676 ?
O9E Mg18 C19E 25.8(2) 2_676 2_676 ?
O18O Mg18 C19E 90.4(3) . 2_676 ?
O18I Mg18 C19E 90.5(3) . 2_676 ?
C11D Mg18 C19E 175.6(3) . 2_676 ?
C18E Mg18 C19E 29.2(3) 2_676 2_676 ?
O5D Mg18 C12D 55.1(3) . . ?
O8E Mg18 C12D 157.1(3) 2_676 . ?
O6D Mg18 C12D 27.3(2) . . ?
O9E Mg18 C12D 121.4(3) 2_676 . ?
O18O Mg18 C12D 87.5(3) . . ?
O18I Mg18 C12D 92.7(3) . . ?
C11D Mg18 C12D 28.6(3) . . ?
C18E Mg18 C12D 176.2(3) 2_676 . ?
C19E Mg18 C12D 147.1(3) 2_676 . ?
O11D Mg20 O7F 175.1(3) . 2_676 ?
O11D Mg20 O8F 102.6(3) . 2_676 ?
O7F Mg20 O8F 81.7(2) 2_676 2_676 ?
O11D Mg20 O10D 82.0(3) . . ?
O7F Mg20 O10D 93.6(3) 2_676 . ?
O8F Mg20 O10D 175.2(3) 2_676 . ?
O11D Mg20 O20O 92.4(3) . . ?
O7F Mg20 O20O 89.9(3) 2_676 . ?
O8F Mg20 O20O 89.9(3) 2_676 . ?
O10D Mg20 O20O 91.3(3) . . ?
O11D Mg20 O20I 85.2(3) . . ?
O7F Mg20 O20I 92.9(3) 2_676 . ?
O8F Mg20 O20I 86.7(3) 2_676 . ?
O10D Mg20 O20I 92.3(3) . . ?
O20O Mg20 O20I 175.3(4) . . ?
O11D Mg20 C18F 128.9(3) . 2_676 ?
O7F Mg20 C18F 55.4(3) 2_676 2_676 ?
O8F Mg20 C18F 26.3(2) 2_676 2_676 ?
O10D Mg20 C18F 149.0(3) . 2_676 ?
O20O Mg20 C18F 89.6(3) . 2_676 ?
O20I Mg20 C18F 88.8(3) . 2_676 ?
O11D Mg20 C25D 26.1(2) . . ?
O7F Mg20 C25D 149.5(3) 2_676 . ?
O8F Mg20 C25D 128.7(3) 2_676 . ?
O10D Mg20 C25D 55.9(2) . . ?
O20O Mg20 C25D 92.0(3) . . ?
O20I Mg20 C25D 87.6(3) . . ?
C18F Mg20 C25D 155.0(3) 2_676 . ?
O11D Mg20 C17F 157.9(3) . 2_676 ?
O7F Mg20 C17F 26.5(2) 2_676 2_676 ?
O8F Mg20 C17F 55.3(2) 2_676 2_676 ?
O10D Mg20 C17F 120.1(3) . 2_676 ?
O20O Mg20 C17F 88.2(3) . 2_676 ?
O20I Mg20 C17F 92.6(3) . 2_676 ?
C18F Mg20 C17F 29.0(3) 2_676 2_676 ?
C25D Mg20 C17F 176.0(3) . 2_676 ?
O11D Mg20 C24D 55.3(3) . . ?
O7F Mg20 C24D 120.3(3) 2_676 . ?
O8F Mg20 C24D 157.9(3) 2_676 . ?
O10D Mg20 C24D 26.7(2) . . ?
O20O Mg20 C24D 91.4(3) . . ?
O20I Mg20 C24D 90.5(3) . . ?
C18F Mg20 C24D 175.6(3) 2_676 . ?
C25D Mg20 C24D 29.2(2) . . ?
C17F Mg20 C24D 146.8(3) 2_676 . ?
O2B Mg2 O2A 100.7(3) . . ?
O2B Mg2 O3B 83.1(2) . . ?
O2A Mg2 O3B 175.6(3) . . ?
O2B Mg2 O1A 174.3(3) . . ?
O2A Mg2 O1A 81.6(2) . . ?
O3B Mg2 O1A 94.5(2) . . ?
O2B Mg2 O2O 93.5(3) . . ?
O2A Mg2 O2O 92.2(3) . . ?
O3B Mg2 O2O 89.8(3) . . ?
O1A Mg2 O2O 91.7(3) . . ?
O2B Mg2 O2I 86.5(4) . . ?
O2A Mg2 O2I 84.7(3) . . ?
O3B Mg2 O2I 93.3(3) . . ?
O1A Mg2 O2I 88.5(3) . . ?
O2O Mg2 O2I 176.9(4) . . ?
O2B Mg2 C4B 27.3(2) . . ?
O2A Mg2 C4B 127.9(3) . . ?
O3B Mg2 C4B 56.0(2) . . ?
O1A Mg2 C4B 150.4(3) . . ?
O2O Mg2 C4B 89.6(3) . . ?
O2I Mg2 C4B 91.8(3) . . ?
O2B Mg2 C4A 126.6(3) . . ?
O2A Mg2 C4A 26.0(2) . . ?
O3B Mg2 C4A 149.9(3) . . ?
O1A Mg2 C4A 55.5(2) . . ?
O2O Mg2 C4A 92.5(3) . . ?
O2I Mg2 C4A 85.0(3) . . ?
C4B Mg2 C4A 153.9(3) . . ?
O2B Mg2 C5B 56.0(2) . . ?
O2A Mg2 C5B 156.7(3) . . ?
O3B Mg2 C5B 27.3(2) . . ?
O1A Mg2 C5B 121.8(3) . . ?
O2O Mg2 C5B 88.1(3) . . ?
O2I Mg2 C5B 94.5(3) . . ?
C4B Mg2 C5B 28.7(2) . . ?
C4A Mg2 C5B 177.2(3) . . ?
O2B Mg2 C3A 155.3(3) . . ?
O2A Mg2 C3A 54.9(2) . . ?
O3B Mg2 C3A 121.2(3) . . ?
O1A Mg2 C3A 26.7(2) . . ?
O2O Mg2 C3A 91.2(3) . . ?
O2I Mg2 C3A 87.6(3) . . ?
C4B Mg2 C3A 177.0(3) . . ?
C4A Mg2 C3A 28.9(2) . . ?
C5B Mg2 C3A 148.4(3) . . ?
O8D Mg24 O11E 102.4(3) . 2_676 ?
O8D Mg24 O10E 174.1(3) . 2_676 ?
O11E Mg24 O10E 82.2(3) 2_676 2_676 ?
O8D Mg24 O7D 81.4(3) . . ?
O11E Mg24 O7D 175.9(3) 2_676 . ?
O10E Mg24 O7D 94.1(3) 2_676 . ?
O8D Mg24 O24O 93.6(3) . . ?
O11E Mg24 O24O 91.3(3) 2_676 . ?
O10E Mg24 O24O 89.9(3) 2_676 . ?
O7D Mg24 O24O 86.8(3) . . ?
O8D Mg24 O24I 86.8(4) . . ?
O11E Mg24 O24I 85.3(3) 2_676 . ?
O10E Mg24 O24I 90.0(3) 2_676 . ?
O7D Mg24 O24I 96.6(3) . . ?
O24O Mg24 O24I 176.6(4) . . ?
O8D Mg24 C18D 25.3(2) . . ?
O11E Mg24 C18D 127.3(3) 2_676 . ?
O10E Mg24 C18D 150.5(3) 2_676 . ?
O7D Mg24 C18D 56.4(3) . . ?
O24O Mg24 C18D 88.4(3) . . ?
O24I Mg24 C18D 93.4(3) . . ?
O8D Mg24 C25E 128.8(3) . 2_676 ?
O11E Mg24 C25E 26.6(2) 2_676 2_676 ?
O10E Mg24 C25E 55.7(2) 2_676 2_676 ?
O7D Mg24 C25E 149.7(3) . 2_676 ?
O24O Mg24 C25E 91.4(3) . 2_676 ?
O24I Mg24 C25E 85.7(3) . 2_676 ?
C18D Mg24 C25E 153.8(3) . 2_676 ?
O8D Mg24 C24E 157.6(3) . 2_676 ?
O11E Mg24 C24E 55.4(2) 2_676 2_676 ?
O10E Mg24 C24E 26.8(2) 2_676 2_676 ?
O7D Mg24 C24E 120.9(3) . 2_676 ?
O24O Mg24 C24E 90.3(3) . 2_676 ?
O24I Mg24 C24E 88.0(3) . 2_676 ?
C18D Mg24 C24E 177.1(3) . 2_676 ?
C25E Mg24 C24E 28.9(2) 2_676 2_676 ?
O8D Mg24 C17D 55.0(2) . . ?
O11E Mg24 C17D 156.7(3) 2_676 . ?
O10E Mg24 C17D 120.7(3) 2_676 . ?
O7D Mg24 C17D 26.7(2) . . ?
O24O Mg24 C17D 85.6(3) . . ?
O24I Mg24 C17D 97.4(3) . . ?
C18D Mg24 C17D 29.8(2) . . ?
C25E Mg24 C17D 175.4(3) 2_676 . ?
C24E Mg24 C17D 147.4(3) 2_676 . ?
O11A Mg7 O5B 101.0(3) . . ?
O11A Mg7 O4B 175.7(3) . . ?
O5B Mg7 O4B 82.7(3) . . ?
O11A Mg7 O7O 91.1(3) . . ?
O5B Mg7 O7O 93.1(3) . . ?
O4B Mg7 O7O 90.9(3) . . ?
O11A Mg7 O12A 81.5(3) . . ?
O5B Mg7 O12A 177.1(3) . . ?
O4B Mg7 O12A 94.8(3) . . ?
O7O Mg7 O12A 88.5(3) . . ?
O11A Mg7 O7I 86.8(4) . . ?
O5B Mg7 O7I 86.8(4) . . ?
O4B Mg7 O7I 91.2(4) . . ?
O7O Mg7 O7I 177.9(4) . . ?
O12A Mg7 O7I 91.8(3) . . ?
O11A Mg7 C11B 128.0(3) . . ?
O5B Mg7 C11B 27.1(2) . . ?
O4B Mg7 C11B 55.6(2) . . ?
O7O Mg7 C11B 93.2(3) . . ?
O12A Mg7 C11B 150.4(3) . . ?
O7I Mg7 C11B 87.7(4) . . ?
O11A Mg7 C25A 26.4(3) . . ?
O5B Mg7 C25A 127.4(3) . . ?
O4B Mg7 C25A 149.9(3) . . ?
O7O Mg7 C25A 88.8(3) . . ?
O12A Mg7 C25A 55.1(3) . . ?
O7I Mg7 C25A 89.6(4) . . ?
C11B Mg7 C25A 154.4(3) . . ?
O11A Mg7 C26A 55.7(3) . . ?
O5B Mg7 C26A 156.6(3) . . ?
O4B Mg7 C26A 120.7(3) . . ?
O7O Mg7 C26A 86.8(3) . . ?
O12A Mg7 C26A 25.9(2) . . ?
O7I Mg7 C26A 92.5(4) . . ?
C11B Mg7 C26A 176.3(3) . . ?
C25A Mg7 C26A 29.3(3) . . ?
O11A Mg7 C10B 156.7(3) . . ?
O5B Mg7 C10B 55.8(2) . . ?
O4B Mg7 C10B 26.9(2) . . ?
O7O Mg7 C10B 91.5(3) . . ?
O12A Mg7 C10B 121.7(3) . . ?
O7I Mg7 C10B 90.2(4) . . ?
C11B Mg7 C10B 28.8(2) . . ?
C25A Mg7 C10B 176.8(3) . . ?
C26A Mg7 C10B 147.5(3) . . ?
O5F Mg23 O9D 176.3(3) 2_676 . ?
O5F Mg23 O8D 101.5(3) 2_676 . ?
O9D Mg23 O8D 82.0(2) . . ?
O5F Mg23 O6F 82.5(2) 2_676 2_676 ?
O9D Mg23 O6F 94.0(3) . 2_676 ?
O8D Mg23 O6F 175.7(3) . 2_676 ?
O5F Mg23 O23O 92.1(4) 2_676 . ?
O9D Mg23 O23O 88.7(4) . . ?
O8D Mg23 O23O 93.5(4) . . ?
O6F Mg23 O23O 88.0(3) 2_676 . ?
O5F Mg23 O23I 85.7(3) 2_676 . ?
O9D Mg23 O23I 93.4(3) . . ?
O8D Mg23 O23I 87.1(3) . . ?
O6F Mg23 O23I 91.5(3) 2_676 . ?
O23O Mg23 O23I 177.8(4) . . ?
O5F Mg23 C18D 127.4(3) 2_676 . ?
O9D Mg23 C18D 56.1(2) . . ?
O8D Mg23 C18D 26.1(2) . . ?
O6F Mg23 C18D 150.0(3) 2_676 . ?
O23O Mg23 C18D 89.3(3) . . ?
O23I Mg23 C18D 92.2(3) . . ?
O5F Mg23 C11F 26.7(2) 2_676 2_676 ?
O9D Mg23 C11F 149.9(3) . 2_676 ?
O8D Mg23 C11F 128.1(3) . 2_676 ?
O6F Mg23 C11F 55.9(2) 2_676 2_676 ?
O23O Mg23 C11F 89.6(3) . 2_676 ?
O23I Mg23 C11F 88.3(3) . 2_676 ?
C18D Mg23 C11F 154.0(3) . 2_676 ?
O5F Mg23 C19D 157.1(3) 2_676 . ?
O9D Mg23 C19D 26.5(2) . . ?
O8D Mg23 C19D 55.9(2) . . ?
O6F Mg23 C19D 120.2(3) 2_676 . ?
O23O Mg23 C19D 86.6(3) . . ?
O23I Mg23 C19D 95.5(3) . . ?
C18D Mg23 C19D 29.8(3) . . ?
C11F Mg23 C19D 174.7(3) 2_676 . ?
O5F Mg23 C12F 55.8(2) 2_676 2_676 ?
O9D Mg23 C12F 120.6(3) . 2_676 ?
O8D Mg23 C12F 157.3(3) . 2_676 ?
O6F Mg23 C12F 26.7(2) 2_676 2_676 ?
O23O Mg23 C12F 88.2(3) . 2_676 ?
O23I Mg23 C12F 90.5(3) . 2_676 ?
C18D Mg23 C12F 175.9(3) . 2_676 ?
C11F Mg23 C12F 29.2(2) 2_676 2_676 ?
C19D Mg23 C12F 146.7(3) . 2_676 ?
O2C Mg1 O3A 174.8(3) . . ?
O2C Mg1 O2A 101.8(3) . . ?
O3A Mg1 O2A 82.4(3) . . ?
O2C Mg1 O1C 81.2(3) . . ?
O3A Mg1 O1C 94.7(3) . . ?
O2A Mg1 O1C 176.5(3) . . ?
O2C Mg1 O1O 93.3(4) . . ?
O3A Mg1 O1O 89.5(3) . . ?
O2A Mg1 O1O 91.4(3) . . ?
O1C Mg1 O1O 86.7(4) . . ?
O2C Mg1 O1I 87.7(4) . . ?
O3A Mg1 O1I 89.8(4) . . ?
O2A Mg1 O1I 84.8(4) . . ?
O1C Mg1 O1I 97.1(4) . . ?
O1O Mg1 O1I 176.2(4) . . ?
O2C Mg1 C4A 128.5(3) . . ?
O3A Mg1 C4A 55.8(3) . . ?
O2A Mg1 C4A 26.7(2) . . ?
O1C Mg1 C4A 150.4(3) . . ?
O1O Mg1 C4A 91.3(3) . . ?
O1I Mg1 C4A 85.2(4) . . ?
O2C Mg1 C4C 26.2(2) . . ?
O3A Mg1 C4C 149.7(3) . . ?
O2A Mg1 C4C 127.9(3) . . ?
O1C Mg1 C4C 55.0(3) . . ?
O1O Mg1 C4C 89.0(3) . . ?
O1I Mg1 C4C 93.5(4) . . ?
C4A Mg1 C4C 154.5(3) . . ?
O2C Mg1 C5A 157.3(3) . . ?
O3A Mg1 C5A 26.9(2) . . ?
O2A Mg1 C5A 55.5(2) . . ?
O1C Mg1 C5A 121.5(3) . . ?
O1O Mg1 C5A 89.7(3) . . ?
O1I Mg1 C5A 88.0(4) . . ?
C4A Mg1 C5A 28.8(2) . . ?
C4C Mg1 C5A 176.4(3) . . ?
O2C Mg1 C3C 55.3(3) . . ?
O3A Mg1 C3C 120.7(3) . . ?
O2A Mg1 C3C 156.7(3) . . ?
O1C Mg1 C3C 26.0(3) . . ?
O1O Mg1 C3C 86.1(3) . . ?
O1I Mg1 C3C 97.4(4) . . ?
C4A Mg1 C3C 175.7(3) . . ?
C4C Mg1 C3C 29.1(3) . . ?
C5A Mg1 C3C 147.5(3) . . ?
O11D Mg19 O12D 82.5(3) . . ?
O11D Mg19 O5E 102.1(3) . . ?
O12D Mg19 O5E 174.7(3) . . ?
O11D Mg19 O19O 93.9(3) . . ?
O12D Mg19 O19O 90.0(3) . . ?
O5E Mg19 O19O 92.2(3) . . ?
O11D Mg19 O4E 176.3(3) . . ?
O12D Mg19 O4E 94.6(3) . . ?
O5E Mg19 O4E 80.7(3) . . ?
O19O Mg19 O4E 88.4(3) . . ?
O11D Mg19 O19I 86.8(3) . . ?
O12D Mg19 O19I 90.5(3) . . ?
O5E Mg19 O19I 87.3(4) . . ?
O19O Mg19 O19I 179.2(4) . . ?
O4E Mg19 O19I 91.0(3) . . ?
O11D Mg19 C25D 26.9(3) . . ?
O12D Mg19 C25D 55.7(3) . . ?
O5E Mg19 C25D 129.0(3) . . ?
O19O Mg19 C25D 92.7(3) . . ?
O4E Mg19 C25D 150.2(3) . . ?
O19I Mg19 C25D 88.1(3) . . ?
O11D Mg19 C11E 127.4(3) . . ?
O12D Mg19 C11E 149.9(3) . . ?
O5E Mg19 C11E 25.3(3) . . ?
O19O Mg19 C11E 90.5(3) . . ?
O4E Mg19 C11E 55.4(3) . . ?
O19I Mg19 C11E 88.8(3) . . ?
C25D Mg19 C11E 154.2(3) . . ?
O11D Mg19 C26D 55.6(3) . . ?
O12D Mg19 C26D 26.9(3) . . ?
O5E Mg19 C26D 157.7(3) . . ?
O19O Mg19 C26D 91.3(3) . . ?
O4E Mg19 C26D 121.5(3) . . ?
O19I Mg19 C26D 89.5(3) . . ?
C25D Mg19 C26D 28.8(2) . . ?
C11E Mg19 C26D 176.4(3) . . ?
O11D Mg19 C10E 156.3(3) . . ?
O12D Mg19 C10E 121.1(3) . . ?
O5E Mg19 C10E 54.2(3) . . ?
O19O Mg19 C10E 88.2(3) . . ?
O4E Mg19 C10E 26.5(2) . . ?
O19I Mg19 C10E 91.1(3) . . ?
C25D Mg19 C10E 176.6(3) . . ?
C11E Mg19 C10E 28.9(3) . . ?
C26D Mg19 C10E 148.0(3) . . ?
O2C Mg3 O1B 176.7(3) . . ?
O2C Mg3 O2B 101.1(3) . . ?
O1B Mg3 O2B 82.0(3) . . ?
O2C Mg3 O3C 82.2(3) . . ?
O1B Mg3 O3C 94.6(3) . . ?
O2B Mg3 O3C 176.1(3) . . ?
O2C Mg3 O3O 91.4(4) . . ?
O1B Mg3 O3O 89.3(4) . . ?
O2B Mg3 O3O 92.6(4) . . ?
O3C Mg3 O3O 89.3(4) . . ?
O2C Mg3 O3I 87.0(3) . . ?
O1B Mg3 O3I 92.4(3) . . ?
O2B Mg3 O3I 85.5(4) . . ?
O3C Mg3 O3I 92.7(3) . . ?
O3O Mg3 O3I 177.2(4) . . ?
O2C Mg3 C4C 26.3(3) . . ?
O1B Mg3 C4C 150.6(3) . . ?
O2B Mg3 C4C 127.4(3) . . ?
O3C Mg3 C4C 56.1(3) . . ?
O3O Mg3 C4C 88.5(4) . . ?
O3I Mg3 C4C 91.0(3) . . ?
O2C Mg3 C4B 128.1(3) . . ?
O1B Mg3 C4B 55.1(2) . . ?
O2B Mg3 C4B 27.0(2) . . ?
O3C Mg3 C4B 149.7(3) . . ?
O3O Mg3 C4B 90.3(4) . . ?
O3I Mg3 C4B 88.9(3) . . ?
C4C Mg3 C4B 154.2(3) . . ?
O2C Mg3 C5C 55.5(3) . . ?
O1B Mg3 C5C 121.3(3) . . ?
O2B Mg3 C5C 156.6(3) . . ?
O3C Mg3 C5C 27.0(3) . . ?
O3O Mg3 C5C 86.7(4) . . ?
O3I Mg3 C5C 94.3(3) . . ?
C4C Mg3 C5C 29.2(3) . . ?
C4B Mg3 C5C 175.4(3) . . ?
O2C Mg3 C3B 156.7(3) . . ?
O1B Mg3 C3B 26.5(2) . . ?
O2B Mg3 C3B 55.6(2) . . ?
O3C Mg3 C3B 121.1(3) . . ?
O3O Mg3 C3B 89.2(4) . . ?
O3I Mg3 C3B 91.4(3) . . ?
C4C Mg3 C3B 176.4(3) . . ?
C4B Mg3 C3B 28.7(2) . . ?
C5C Mg3 C3B 147.7(3) . . ?
O8F Mg21 O9F 81.2(3) . . ?
O8F Mg21 O5E 102.6(3) . 2_676 ?
O9F Mg21 O5E 176.2(3) . 2_676 ?
O8F Mg21 O6E 176.0(3) . 2_676 ?
O9F Mg21 O6E 95.0(3) . 2_676 ?
O5E Mg21 O6E 81.3(3) 2_676 2_676 ?
O8F Mg21 O21O 92.1(4) . . ?
O9F Mg21 O21O 88.5(3) . . ?
O5E Mg21 O21O 92.2(4) 2_676 . ?
O6E Mg21 O21O 89.0(3) 2_676 . ?
O8F Mg21 O21I 86.5(4) . . ?
O9F Mg21 O21I 93.6(3) . . ?
O5E Mg21 O21I 85.9(4) 2_676 . ?
O6E Mg21 O21I 92.6(3) 2_676 . ?
O21O Mg21 O21I 177.3(4) . . ?
O8F Mg21 C11E 128.2(3) . 2_676 ?
O9F Mg21 C11E 150.6(3) . 2_676 ?
O5E Mg21 C11E 25.7(3) 2_676 2_676 ?
O6E Mg21 C11E 55.6(3) 2_676 2_676 ?
O21O Mg21 C11E 91.1(3) . 2_676 ?
O21I Mg21 C11E 88.0(3) . 2_676 ?
O8F Mg21 C18F 25.2(2) . . ?
O9F Mg21 C18F 56.0(3) . . ?
O5E Mg21 C18F 127.8(3) 2_676 . ?
O6E Mg21 C18F 150.9(3) 2_676 . ?
O21O Mg21 C18F 92.0(3) . . ?
O21I Mg21 C18F 87.7(3) . . ?
C11E Mg21 C18F 153.4(3) 2_676 . ?
O8F Mg21 C19F 54.4(2) . . ?
O9F Mg21 C19F 26.8(2) . . ?
O5E Mg21 C19F 156.9(3) 2_676 . ?
O6E Mg21 C19F 121.8(3) 2_676 . ?
O21O Mg21 C19F 89.9(3) . . ?
O21I Mg21 C19F 91.1(3) . . ?
C11E Mg21 C19F 177.1(3) 2_676 . ?
C18F Mg21 C19F 29.2(2) . . ?
O8F Mg21 C12E 157.4(3) . 2_676 ?
O9F Mg21 C12E 121.4(3) . 2_676 ?
O5E Mg21 C12E 54.8(3) 2_676 2_676 ?
O6E Mg21 C12E 26.5(2) 2_676 2_676 ?
O21O Mg21 C12E 88.9(3) . 2_676 ?
O21I Mg21 C12E 91.5(3) . 2_676 ?
C11E Mg21 C12E 29.1(3) 2_676 2_676 ?
C18F Mg21 C12E 177.2(3) . 2_676 ?
C19F Mg21 C12E 148.2(3) . 2_676 ?
O8E Mg17 O11F 102.0(3) 2_676 . ?
O8E Mg17 O10F 176.8(3) 2_676 . ?
O11F Mg17 O10F 81.2(3) . . ?
O8E Mg17 O7E 81.8(3) 2_676 2_676 ?
O11F Mg17 O7E 175.4(3) . 2_676 ?
O10F Mg17 O7E 95.1(3) . 2_676 ?
O8E Mg17 O17O 88.0(3) 2_676 . ?
O11F Mg17 O17O 90.5(4) . . ?
O10F Mg17 O17O 91.9(3) . . ?
O7E Mg17 O17O 92.3(3) 2_676 . ?
O8E Mg17 O17I 88.1(4) 2_676 . ?
O11F Mg17 O17I 86.0(4) . . ?
O10F Mg17 O17I 92.2(3) . . ?
O7E Mg17 O17I 91.6(3) 2_676 . ?
O17O Mg17 O17I 174.1(4) . . ?
O8E Mg17 C25F 128.4(3) 2_676 . ?
O11F Mg17 C25F 26.5(2) . . ?
O10F Mg17 C25F 54.8(3) . . ?
O7E Mg17 C25F 149.8(3) 2_676 . ?
O17O Mg17 C25F 89.0(3) . . ?
O17I Mg17 C25F 89.9(3) . . ?
O8E Mg17 C18E 26.7(2) 2_676 2_676 ?
O11F Mg17 C18E 128.6(3) . 2_676 ?
O10F Mg17 C18E 150.1(3) . 2_676 ?
O7E Mg17 C18E 55.1(2) 2_676 2_676 ?
O17O Mg17 C18E 90.5(3) . 2_676 ?
O17I Mg17 C18E 88.1(3) . 2_676 ?
C25F Mg17 C18E 155.0(3) . 2_676 ?
O8E Mg17 C17E 56.0(3) 2_676 2_676 ?
O11F Mg17 C17E 157.9(3) . 2_676 ?
O10F Mg17 C17E 120.8(3) . 2_676 ?
O7E Mg17 C17E 25.7(2) 2_676 2_676 ?
O17O Mg17 C17E 91.2(3) . 2_676 ?
O17I Mg17 C17E 90.4(3) . 2_676 ?
C25F Mg17 C17E 175.6(3) . 2_676 ?
C18E Mg17 C17E 29.4(3) 2_676 2_676 ?
O8E Mg17 C24F 156.8(3) 2_676 . ?
O11F Mg17 C24F 55.1(2) . . ?
O10F Mg17 C24F 26.3(2) . . ?
O7E Mg17 C24F 121.3(3) 2_676 . ?
O17O Mg17 C24F 88.7(3) . . ?
O17I Mg17 C24F 93.2(3) . . ?
C25F Mg17 C24F 28.6(2) . . ?
C18E Mg17 C24F 176.3(3) 2_676 . ?
C17E Mg17 C24F 147.0(3) 2_676 . ?
O5C Mg10 O12B 175.9(4) . . ?
O5C Mg10 O11B 102.7(3) . . ?
O12B Mg10 O11B 81.1(3) . . ?
O5C Mg10 O4C 80.2(3) . . ?
O12B Mg10 O4C 96.0(3) . . ?
O11B Mg10 O4C 175.6(3) . . ?
O5C Mg10 O10O 92.2(3) . . ?
O12B Mg10 O10O 89.3(3) . . ?
O11B Mg10 O10O 92.1(3) . . ?
O4C Mg10 O10O 91.2(3) . . ?
O5C Mg10 O10I 86.3(3) . . ?
O12B Mg10 O10I 92.4(3) . . ?
O11B Mg10 O10I 84.4(4) . . ?
O4C Mg10 O10I 92.5(4) . . ?
O10O Mg10 O10I 175.8(4) . . ?
O5C Mg10 C25B 128.9(3) . . ?
O12B Mg10 C25B 54.9(3) . . ?
O11B Mg10 C25B 26.3(2) . . ?
O4C Mg10 C25B 150.9(3) . . ?
O10O Mg10 C25B 89.4(3) . . ?
O10I Mg10 C25B 88.4(3) . . ?
O5C Mg10 C11C 25.4(3) . . ?
O12B Mg10 C11C 150.8(3) . . ?
O11B Mg10 C11C 128.0(3) . . ?
O4C Mg10 C11C 54.8(3) . . ?
O10O Mg10 C11C 91.9(3) . . ?
O10I Mg10 C11C 88.5(3) . . ?
C25B Mg10 C11C 154.3(3) . . ?
O5C Mg10 C26B 158.0(3) . . ?
O12B Mg10 C26B 25.7(3) . . ?
O11B Mg10 C26B 55.4(2) . . ?
O4C Mg10 C26B 121.8(3) . . ?
O10O Mg10 C26B 89.1(3) . . ?
O10I Mg10 C26B 90.8(3) . . ?
C25B Mg10 C26B 29.2(3) . . ?
C11C Mg10 C26B 176.4(3) . . ?
O5C Mg10 C10C 54.1(3) . . ?
O12B Mg10 C10C 122.1(3) . . ?
O11B Mg10 C10C 156.6(3) . . ?
O4C Mg10 C10C 26.1(3) . . ?
O10O Mg10 C10C 91.0(3) . . ?
O10I Mg10 C10C 91.4(4) . . ?
C25B Mg10 C10C 177.0(3) . . ?
C11C Mg10 C10C 28.7(3) . . ?
C26B Mg10 C10C 147.9(3) . . ?
O11E Mg22 O5F 101.0(3) . . ?
O11E Mg22 O4F 175.3(3) . . ?
O5F Mg22 O4F 82.7(2) . . ?
O11E Mg22 O12E 81.3(3) . . ?
O5F Mg22 O12E 174.9(3) . . ?
O4F Mg22 O12E 94.7(3) . . ?
O11E Mg22 O22O 93.1(3) . . ?
O5F Mg22 O22O 93.0(3) . . ?
O4F Mg22 O22O 89.5(3) . . ?
O12E Mg22 O22O 91.4(3) . . ?
O11E Mg22 O22I 83.8(3) . . ?
O5F Mg22 O22I 86.8(4) . . ?
O4F Mg22 O22I 93.7(3) . . ?
O12E Mg22 O22I 88.9(4) . . ?
O22O Mg22 O22I 176.8(4) . . ?
O11E Mg22 C11F 127.9(3) . . ?
O5F Mg22 C11F 27.0(2) . . ?
O4F Mg22 C11F 56.0(2) . . ?
O12E Mg22 C11F 150.7(3) . . ?
O22O Mg22 C11F 88.8(3) . . ?
O22I Mg22 C11F 92.5(3) . . ?
O11E Mg22 C25E 26.8(2) . . ?
O5F Mg22 C25E 127.7(3) . . ?
O4F Mg22 C25E 149.2(3) . . ?
O12E Mg22 C25E 54.5(2) . . ?
O22O Mg22 C25E 92.7(3) . . ?
O22I Mg22 C25E 84.8(3) . . ?
C11F Mg22 C25E 154.7(3) . . ?
O11E Mg22 C10F 156.9(3) . . ?
O5F Mg22 C10F 55.9(2) . . ?
O4F Mg22 C10F 27.1(2) . . ?
O12E Mg22 C10F 121.8(3) . . ?
O22O Mg22 C10F 87.2(3) . . ?
O22I Mg22 C10F 95.4(3) . . ?
C11F Mg22 C10F 29.0(2) . . ?
C25E Mg22 C10F 176.3(3) . . ?
O11E Mg22 C26E 54.8(2) . . ?
O5F Mg22 C26E 155.6(3) . . ?
O4F Mg22 C26E 121.3(3) . . ?
O12E Mg22 C26E 26.6(2) . . ?
O22O Mg22 C26E 91.3(3) . . ?
O22I Mg22 C26E 87.5(3) . . ?
C11F Mg22 C26E 177.3(3) . . ?
C25E Mg22 C26E 28.0(2) . . ?
C10F Mg22 C26E 148.3(3) . . ?
O2F Mg15 O1E 175.7(3) . . ?
O2F Mg15 O3F 82.7(2) . . ?
O1E Mg15 O3F 94.0(3) . . ?
O2F Mg15 O2E 100.9(3) . . ?
O1E Mg15 O2E 82.3(3) . . ?
O3F Mg15 O2E 175.9(3) . . ?
O2F Mg15 O15O 92.7(4) . . ?
O1E Mg15 O15O 90.1(3) . . ?
O3F Mg15 O15O 90.5(3) . . ?
O2E Mg15 O15O 91.3(3) . . ?
O2F Mg15 O15I 84.9(4) . . ?
O1E Mg15 O15I 92.3(4) . . ?
O3F Mg15 O15I 89.8(4) . . ?
O2E Mg15 O15I 88.6(4) . . ?
O15O Mg15 O15I 177.5(4) . . ?
O2F Mg15 C4F 26.4(2) . . ?
O1E Mg15 C4F 150.2(3) . . ?
O3F Mg15 C4F 56.3(2) . . ?
O2E Mg15 C4F 127.3(3) . . ?
O15O Mg15 C4F 91.9(3) . . ?
O15I Mg15 C4F 86.2(4) . . ?
O2F Mg15 C4E 127.7(3) . . ?
O1E Mg15 C4E 55.6(2) . . ?
O3F Mg15 C4E 149.6(3) . . ?
O2E Mg15 C4E 26.8(2) . . ?
O15O Mg15 C4E 88.7(3) . . ?
O15I Mg15 C4E 92.3(4) . . ?
C4F Mg15 C4E 154.1(3) . . ?
O2F Mg15 C5F 55.3(2) . . ?
O1E Mg15 C5F 121.5(3) . . ?
O3F Mg15 C5F 27.5(2) . . ?
O2E Mg15 C5F 156.2(3) . . ?
O15O Mg15 C5F 89.7(3) . . ?
O15I Mg15 C5F 89.4(4) . . ?
C4F Mg15 C5F 28.9(2) . . ?
C4E Mg15 C5F 176.7(3) . . ?
O2F Mg15 C3E 156.2(3) . . ?
O1E Mg15 C3E 27.2(2) . . ?
O3F Mg15 C3E 121.1(3) . . ?
O2E Mg15 C3E 55.3(3) . . ?
O15O Mg15 C3E 87.3(3) . . ?
O15I Mg15 C3E 94.7(4) . . ?
C4F Mg15 C3E 177.3(3) . . ?
C4E Mg15 C3E 28.5(3) . . ?
C5F Mg15 C3E 148.5(3) . . ?
O11C Mg4 O12C 81.7(3) . . ?
O11C Mg4 O5A 101.7(3) . . ?
O12C Mg4 O5A 175.9(3) . . ?
O11C Mg4 O4A 174.5(4) . . ?
O12C Mg4 O4A 94.1(3) . . ?
O5A Mg4 O4A 82.3(3) . . ?
O11C Mg4 O4I 86.4(4) . . ?
O12C Mg4 O4I 93.6(4) . . ?
O5A Mg4 O4I 84.6(4) . . ?
O4A Mg4 O4I 90.3(3) . . ?
O11C Mg4 O4O 92.9(4) . . ?
O12C Mg4 O4O 88.4(4) . . ?
O5A Mg4 O4O 93.5(4) . . ?
O4A Mg4 O4O 90.5(3) . . ?
O4I Mg4 O4O 177.8(4) . . ?
O11C Mg4 C25C 26.2(3) . . ?
O12C Mg4 C25C 55.5(3) . . ?
O5A Mg4 C25C 128.0(3) . . ?
O4A Mg4 C25C 149.5(3) . . ?
O4I Mg4 C25C 89.9(4) . . ?
O4O Mg4 C25C 90.5(4) . . ?
O11C Mg4 C11A 128.2(3) . . ?
O12C Mg4 C11A 150.1(3) . . ?
O5A Mg4 C11A 26.5(3) . . ?
O4A Mg4 C11A 56.0(3) . . ?
O4I Mg4 C11A 87.9(4) . . ?
O4O Mg4 C11A 90.8(4) . . ?
C25C Mg4 C11A 154.4(3) . . ?
O11C Mg4 C26C 54.4(3) . . ?
O12C Mg4 C26C 27.4(3) . . ?
O5A Mg4 C26C 156.1(3) . . ?
O4A Mg4 C26C 121.5(3) . . ?
O4I Mg4 C26C 92.4(4) . . ?
O4O Mg4 C26C 88.8(4) . . ?
C25C Mg4 C26C 28.2(3) . . ?
C11A Mg4 C26C 177.4(3) . . ?
O11C Mg4 C10A 157.2(3) . . ?
O12C Mg4 C10A 121.1(3) . . ?
O5A Mg4 C10A 55.4(2) . . ?
O4A Mg4 C10A 27.0(3) . . ?
O4I Mg4 C10A 90.3(3) . . ?
O4O Mg4 C10A 89.5(4) . . ?
C25C Mg4 C10A 176.6(3) . . ?
C11A Mg4 C10A 29.0(3) . . ?
C26C Mg4 C10A 148.4(3) . . ?
O11O Mg11 O5C 93.5(3) . . ?
O11O Mg11 O6C 92.1(4) . . ?
O5C Mg11 O6C 81.1(3) . . ?
O11O Mg11 O8A 91.9(4) . 2_565 ?
O5C Mg11 O8A 102.1(3) . 2_565 ?
O6C Mg11 O8A 174.7(3) . 2_565 ?
O11O Mg11 O9A 88.9(3) . 2_565 ?
O5C Mg11 O9A 175.5(4) . 2_565 ?
O6C Mg11 O9A 94.9(3) . 2_565 ?
O8A Mg11 O9A 81.6(3) 2_565 2_565 ?
O11O Mg11 O11I 175.8(4) . . ?
O5C Mg11 O11I 85.9(4) . . ?
O6C Mg11 O11I 91.9(4) . . ?
O8A Mg11 O11I 84.2(4) 2_565 . ?
O9A Mg11 O11I 92.0(3) 2_565 . ?
O11O Mg11 C11C 93.7(3) . . ?
O5C Mg11 C11C 26.1(3) . . ?
O6C Mg11 C11C 55.0(3) . . ?
O8A Mg11 C11C 128.2(3) 2_565 . ?
O9A Mg11 C11C 149.9(3) 2_565 . ?
O11I Mg11 C11C 87.6(3) . . ?
O11O Mg11 C18A 89.2(3) . 2_565 ?
O5C Mg11 C18A 129.1(3) . 2_565 ?
O6C Mg11 C18A 149.6(3) . 2_565 ?
O8A Mg11 C18A 27.0(3) 2_565 2_565 ?
O9A Mg11 C18A 54.7(3) 2_565 2_565 ?
O11I Mg11 C18A 88.0(4) . 2_565 ?
C11C Mg11 C18A 155.2(3) . 2_565 ?
O11O Mg11 C12C 94.0(3) . . ?
O5C Mg11 C12C 55.4(3) . . ?
O6C Mg11 C12C 25.8(2) . . ?
O8A Mg11 C12C 157.0(3) 2_565 . ?
O9A Mg11 C12C 120.6(3) 2_565 . ?
O11I Mg11 C12C 89.1(4) . . ?
C11C Mg11 C12C 29.2(3) . . ?
C18A Mg11 C12C 174.4(3) 2_565 . ?
O8A Mg12 O11B 101.0(3) . 2_565 ?
O8A Mg12 O10B 176.3(3) . 2_565 ?
O11B Mg12 O10B 81.5(3) 2_565 2_565 ?
O8A Mg12 O7A 82.5(3) . . ?
O11B Mg12 O7A 175.5(3) 2_565 . ?
O10B Mg12 O7A 94.9(3) 2_565 . ?
O8A Mg12 O12I 85.4(4) . . ?
O11B Mg12 O12I 84.8(3) 2_565 . ?
O10B Mg12 O12I 92.2(4) 2_565 . ?
O7A Mg12 O12I 92.7(3) . . ?
O8A Mg12 O12O 92.2(4) . . ?
O11B Mg12 O12O 90.4(4) 2_565 . ?
O10B Mg12 O12O 90.5(4) 2_565 . ?
O7A Mg12 O12O 92.3(4) . . ?
O12I Mg12 O12O 174.1(5) . . ?
O8A Mg12 C25B 127.1(3) . 2_565 ?
O11B Mg12 C25B 26.1(3) 2_565 2_565 ?
O10B Mg12 C25B 55.4(3) 2_565 2_565 ?
O7A Mg12 C25B 150.3(3) . 2_565 ?
O12I Mg12 C25B 87.6(3) . 2_565 ?
O12O Mg12 C25B 89.6(3) . 2_565 ?
O8A Mg12 C18A 27.0(3) . . ?
O11B Mg12 C18A 128.0(3) 2_565 . ?
O10B Mg12 C18A 150.4(3) 2_565 . ?
O7A Mg12 C18A 55.6(3) . . ?
O12I Mg12 C18A 88.7(3) . . ?
O12O Mg12 C18A 91.5(3) . . ?
C25B Mg12 C18A 154.1(3) 2_565 . ?
O8A Mg12 C17A 55.4(3) . . ?
O11B Mg12 C17A 156.3(3) 2_565 . ?
O10B Mg12 C17A 122.1(3) 2_565 . ?
O7A Mg12 C17A 27.3(3) . . ?
O12I Mg12 C17A 92.5(3) . . ?
O12O Mg12 C17A 90.5(3) . . ?
C25B Mg12 C17A 177.5(3) 2_565 . ?
C18A Mg12 C17A 28.4(3) . . ?
O8A Mg12 C24B 155.7(3) . 2_565 ?
O11B Mg12 C24B 54.8(3) 2_565 2_565 ?
O10B Mg12 C24B 26.8(2) 2_565 2_565 ?
O7A Mg12 C24B 121.6(3) . 2_565 ?
O12I Mg12 C24B 90.5(3) . 2_565 ?
O12O Mg12 C24B 89.5(3) . 2_565 ?
C25B Mg12 C24B 28.7(3) 2_565 2_565 ?
C18A Mg12 C24B 177.1(3) . 2_565 ?
C17A Mg12 C24B 148.9(3) . 2_565 ?
O2F Mg13 O2D 103.1(3) . . ?
O2F Mg13 O1F 82.2(2) . . ?
O2D Mg13 O1F 174.4(3) . . ?
O2F Mg13 O3D 174.2(3) . . ?
O2D Mg13 O3D 82.1(3) . . ?
O1F Mg13 O3D 92.5(3) . . ?
O2F Mg13 O13O 93.8(4) . . ?
O2D Mg13 O13O 91.9(4) . . ?
O1F Mg13 O13O 89.7(3) . . ?
O3D Mg13 O13O 88.4(3) . . ?
O2F Mg13 O13I 85.2(4) . . ?
O2D Mg13 O13I 86.5(4) . . ?
O1F Mg13 O13I 92.1(4) . . ?
O3D Mg13 O13I 92.8(4) . . ?
O13O Mg13 O13I 177.9(5) . . ?
O2F Mg13 C4D 129.4(3) . . ?
O2D Mg13 C4D 26.3(3) . . ?
O1F Mg13 C4D 148.5(3) . . ?
O3D Mg13 C4D 56.0(3) . . ?
O13O Mg13 C4D 88.4(3) . . ?
O13I Mg13 C4D 90.7(4) . . ?
O2F Mg13 C4F 26.1(2) . . ?
O2D Mg13 C4F 129.2(3) . . ?
O1F Mg13 C4F 56.0(2) . . ?
O3D Mg13 C4F 148.5(3) . . ?
O13O Mg13 C4F 92.8(3) . . ?
O13I Mg13 C4F 87.2(3) . . ?
C4D Mg13 C4F 155.5(3) . . ?
O2F Mg13 C5D 158.4(3) . . ?
O2D Mg13 C5D 55.3(3) . . ?
O1F Mg13 C5D 119.4(3) . . ?
O3D Mg13 C5D 27.1(2) . . ?
O13O Mg13 C5D 86.5(3) . . ?
O13I Mg13 C5D 93.7(3) . . ?
C4D Mg13 C5D 29.1(3) . . ?
C4F Mg13 C5D 175.4(3) . . ?
O2D Mg14 O2E 100.9(3) . . ?
O2D Mg14 O3E 176.7(3) . . ?
O2E Mg14 O3E 82.2(3) . . ?
O2D Mg14 O1D 81.5(3) . . ?
O2E Mg14 O1D 177.2(3) . . ?
O3E Mg14 O1D 95.3(3) . . ?
O2D Mg14 O14O 91.3(4) . . ?
O2E Mg14 O14O 91.7(4) . . ?
O3E Mg14 O14O 89.6(4) . . ?
O1D Mg14 O14O 89.7(3) . . ?
O2D Mg14 O14I 86.3(4) . . ?
O2E Mg14 O14I 86.8(4) . . ?
O3E Mg14 O14I 93.0(4) . . ?
O1D Mg14 O14I 91.9(4) . . ?
O14O Mg14 O14I 176.8(4) . . ?
O2D Mg14 C4D 26.0(3) . . ?
O2E Mg14 C4D 126.9(3) . . ?
O3E Mg14 C4D 150.9(3) . . ?
O1D Mg14 C4D 55.6(3) . . ?
O14O Mg14 C4D 89.2(4) . . ?
O14I Mg14 C4D 89.5(4) . . ?
O2D Mg14 C4E 127.7(3) . . ?
O2E Mg14 C4E 26.7(3) . . ?
O3E Mg14 C4E 55.5(2) . . ?
O1D Mg14 C4E 150.8(3) . . ?
O14O Mg14 C4E 90.1(3) . . ?
O14I Mg14 C4E 89.8(4) . . ?
C4D Mg14 C4E 153.6(3) . . ?
O2D Mg14 C5E 156.5(3) . . ?
O2E Mg14 C5E 55.6(3) . . ?
O3E Mg14 C5E 26.6(3) . . ?
O1D Mg14 C5E 121.9(3) . . ?
O14O Mg14 C5E 89.2(4) . . ?
O14I Mg14 C5E 92.3(4) . . ?
C4D Mg14 C5E 177.0(3) . . ?
C4E Mg14 C5E 28.9(3) . . ?
O2D Mg14 C3D 55.1(3) . . ?
O2E Mg14 C3D 156.1(3) . . ?
O3E Mg14 C3D 121.7(3) . . ?
O1D Mg14 C3D 26.5(3) . . ?
O14O Mg14 C3D 88.5(3) . . ?
O14I Mg14 C3D 91.8(4) . . ?
C4D Mg14 C3D 29.2(3) . . ?
C4E Mg14 C3D 176.9(3) . . ?
C5E Mg14 C3D 148.3(3) . . ?
O8C Mg9 O11A 100.6(3) . 2_565 ?
O8C Mg9 O10A 176.7(3) . 2_565 ?
O11A Mg9 O10A 82.1(3) 2_565 2_565 ?
O8C Mg9 O7C 81.9(3) . . ?
O11A Mg9 O7C 177.3(4) 2_565 . ?
O10A Mg9 O7C 95.3(3) 2_565 . ?
O8C Mg9 O9O 91.2(5) . . ?
O11A Mg9 O9O 91.3(4) 2_565 . ?
O10A Mg9 O9O 90.5(4) 2_565 . ?
O7C Mg9 O9O 89.6(4) . . ?
O8C Mg9 O9I 86.2(4) . . ?
O11A Mg9 O9I 86.1(4) 2_565 . ?
O10A Mg9 O9I 92.2(3) 2_565 . ?
O7C Mg9 O9I 93.2(3) . . ?
O9O Mg9 O9I 175.9(5) . . ?
O8C Mg9 C18C 26.3(3) . . ?
O11A Mg9 C18C 126.8(3) 2_565 . ?
O10A Mg9 C18C 151.1(3) 2_565 . ?
O7C Mg9 C18C 55.8(3) . . ?
O9O Mg9 C18C 88.2(4) . . ?
O9I Mg9 C18C 90.9(4) . . ?
O8C Mg9 C25A 127.4(3) . 2_565 ?
O11A Mg9 C25A 26.8(3) 2_565 2_565 ?
O10A Mg9 C25A 55.3(3) 2_565 2_565 ?
O7C Mg9 C25A 150.6(3) . 2_565 ?
O9O Mg9 C25A 91.1(4) . 2_565 ?
O9I Mg9 C25A 87.9(3) . 2_565 ?
C18C Mg9 C25A 153.6(3) . 2_565 ?
O8C Mg9 C17C 55.4(3) . . ?
O11A Mg9 C17C 155.9(3) 2_565 . ?
O10A Mg9 C17C 122.0(3) 2_565 . ?
O7C Mg9 C17C 26.7(3) . . ?
O9O Mg9 C17C 87.5(4) . . ?
O9I Mg9 C17C 93.7(3) . . ?
C18C Mg9 C17C 29.1(3) . . ?
C25A Mg9 C17C 176.9(3) 2_565 . ?
O8C Mg9 C24A 156.6(3) . 2_565 ?
O11A Mg9 C24A 56.0(3) 2_565 2_565 ?
O10A Mg9 C24A 26.2(2) 2_565 2_565 ?
O7C Mg9 C24A 121.5(3) . 2_565 ?
O9O Mg9 C24A 89.8(4) . 2_565 ?
O9I Mg9 C24A 91.3(3) . 2_565 ?
C18C Mg9 C24A 176.6(3) . 2_565 ?
C25A Mg9 C24A 29.1(3) 2_565 2_565 ?
C17C Mg9 C24A 148.1(3) . 2_565 ?
O5A Mg5 O6A 82.3(3) . . ?
O5A Mg5 O8B 101.1(3) . 2_565 ?
O6A Mg5 O8B 175.4(3) . 2_565 ?
O5A Mg5 O9B 176.9(3) . 2_565 ?
O6A Mg5 O9B 94.6(3) . 2_565 ?
O8B Mg5 O9B 82.0(3) 2_565 2_565 ?
O5A Mg5 O5O 89.2(4) . . ?
O6A Mg5 O5O 91.7(4) . . ?
O8B Mg5 O5O 91.6(4) 2_565 . ?
O9B Mg5 O5O 91.2(4) 2_565 . ?
O5A Mg5 O5I 86.2(4) . . ?
O6A Mg5 O5I 91.4(4) . . ?
O8B Mg5 O5I 85.7(4) 2_565 . ?
O9B Mg5 O5I 93.6(4) 2_565 . ?
O5O Mg5 O5I 174.1(5) . . ?
O5A Mg5 C11A 27.3(3) . . ?
O6A Mg5 C11A 55.0(3) . . ?
O8B Mg5 C11A 128.3(3) 2_565 . ?
O9B Mg5 C11A 149.6(3) 2_565 . ?
O5O Mg5 C11A 89.5(4) . . ?
O5I Mg5 C11A 88.1(4) . . ?
O5A Mg5 C18B 128.1(3) . 2_565 ?
O6A Mg5 C18B 149.7(3) . 2_565 ?
O8B Mg5 C18B 27.1(3) 2_565 2_565 ?
O9B Mg5 C18B 55.0(3) 2_565 2_565 ?
O5O Mg5 C18B 89.3(4) . 2_565 ?
O5I Mg5 C18B 90.6(4) . 2_565 ?
C11A Mg5 C18B 155.4(3) . 2_565 ?
O5A Mg5 C12A 55.7(3) . . ?
O6A Mg5 C12A 26.6(2) . . ?
O8B Mg5 C12A 156.8(3) 2_565 . ?
O9B Mg5 C12A 121.2(3) 2_565 . ?
O5O Mg5 C12A 89.3(4) . . ?
O5I Mg5 C12A 91.1(3) . . ?
C11A Mg5 C12A 28.4(3) . . ?
C18B Mg5 C12A 175.9(3) 2_565 . ?
O5A Mg5 C19B 155.8(3) . 2_565 ?
O6A Mg5 C19B 121.9(3) . 2_565 ?
O8B Mg5 C19B 54.9(3) 2_565 2_565 ?
O9B Mg5 C19B 27.3(3) 2_565 2_565 ?
O5O Mg5 C19B 88.5(4) . 2_565 ?
O5I Mg5 C19B 94.2(3) . 2_565 ?
C11A Mg5 C19B 176.2(3) . 2_565 ?
C18B Mg5 C19B 27.8(3) 2_565 2_565 ?
C12A Mg5 C19B 148.3(3) . 2_565 ?
O11F Mg16 O5D 101.4(3) . . ?
O11F Mg16 O12F 81.8(3) . . ?
O5D Mg16 O12F 176.8(3) . . ?
O11F Mg16 O4D 175.7(3) . . ?
O5D Mg16 O4D 82.9(3) . . ?
O12F Mg16 O4D 93.9(3) . . ?
O11F Mg16 O16O 90.2(4) . . ?
O5D Mg16 O16O 88.3(3) . . ?
O12F Mg16 O16O 92.3(3) . . ?
O4D Mg16 O16O 90.4(4) . . ?
O11F Mg16 O16I 87.7(4) . . ?
O5D Mg16 O16I 87.3(4) . . ?
O12F Mg16 O16I 92.2(4) . . ?
O4D Mg16 O16I 92.1(4) . . ?
O16O Mg16 O16I 174.7(4) . . ?
O11F Mg16 C11D 128.4(3) . . ?
O5D Mg16 C11D 27.0(3) . . ?
O12F Mg16 C11D 149.8(3) . . ?
O4D Mg16 C11D 55.9(3) . . ?
O16O Mg16 C11D 88.7(3) . . ?
O16I Mg16 C11D 88.7(4) . . ?
O11F Mg16 C25F 25.9(3) . . ?
O5D Mg16 C25F 127.2(3) . . ?
O12F Mg16 C25F 56.0(3) . . ?
O4D Mg16 C25F 149.9(3) . . ?
O16O Mg16 C25F 88.7(4) . . ?
O16I Mg16 C25F 91.5(4) . . ?
C11D Mg16 C25F 154.1(3) . . ?
O11F Mg16 C26F 55.5(3) . . ?
O5D Mg16 C26F 156.7(3) . . ?
O12F Mg16 C26F 26.5(2) . . ?
O4D Mg16 C26F 120.2(3) . . ?
O16O Mg16 C26F 88.7(3) . . ?
O16I Mg16 C26F 94.1(4) . . ?
C11D Mg16 C26F 175.3(3) . . ?
C25F Mg16 C26F 29.7(3) . . ?
O11F Mg16 C10D 157.6(3) . . ?
O5D Mg16 C10D 56.2(3) . . ?
O12F Mg16 C10D 120.6(3) . . ?
O4D Mg16 C10D 26.7(2) . . ?
O16O Mg16 C10D 89.6(4) . . ?
O16I Mg16 C10D 90.5(4) . . ?
C11D Mg16 C10D 29.2(3) . . ?
C25F Mg16 C10D 176.2(3) . . ?
C26F Mg16 C10D 146.9(3) . . ?
O8B Mg6 O7B 82.7(3) . . ?
O8B Mg6 O11C 101.2(3) . 2_565 ?
O7B Mg6 O11C 176.1(4) . 2_565 ?
O8B Mg6 O10C 175.9(3) . 2_565 ?
O7B Mg6 O10C 93.4(3) . 2_565 ?
O11C Mg6 O10C 82.8(3) 2_565 2_565 ?
O8B Mg6 O6O 93.1(4) . . ?
O7B Mg6 O6O 90.4(4) . . ?
O11C Mg6 O6O 89.9(4) 2_565 . ?
O10C Mg6 O6O 88.2(4) 2_565 . ?
O8B Mg6 O6I 85.8(5) . . ?
O7B Mg6 O6I 92.3(4) . . ?
O11C Mg6 O6I 87.5(4) 2_565 . ?
O10C Mg6 O6I 93.0(4) 2_565 . ?
O6O Mg6 O6I 176.9(4) . . ?
O8B Mg6 C18B 26.8(3) . . ?
O7B Mg6 C18B 56.2(3) . . ?
O11C Mg6 C18B 127.7(3) 2_565 . ?
O10C Mg6 C18B 149.4(3) 2_565 . ?
O6O Mg6 C18B 89.5(4) . . ?
O6I Mg6 C18B 90.9(4) . . ?
O8B Mg6 C25C 127.7(3) . 2_565 ?
O7B Mg6 C25C 149.5(3) . 2_565 ?
O11C Mg6 C25C 26.6(3) 2_565 2_565 ?
O10C Mg6 C25C 56.2(3) 2_565 2_565 ?
O6O Mg6 C25C 88.9(4) . 2_565 ?
O6I Mg6 C25C 89.5(4) . 2_565 ?
C18B Mg6 C25C 154.2(3) . 2_565 ?
O8B Mg6 C17B 56.5(3) . . ?
O7B Mg6 C17B 26.6(3) . . ?
O11C Mg6 C17B 157.3(3) 2_565 . ?
O10C Mg6 C17B 119.7(3) 2_565 . ?
O6O Mg6 C17B 87.6(4) . . ?
O6I Mg6 C17B 94.3(4) . . ?
C18B Mg6 C17B 29.7(3) . . ?
C25C Mg6 C17B 174.7(3) 2_565 . ?
O8B Mg6 C24C 156.7(3) . 2_565 ?
O7B Mg6 C24C 120.5(3) . 2_565 ?
O11C Mg6 C24C 55.6(3) 2_565 2_565 ?
O10C Mg6 C24C 27.2(3) 2_565 2_565 ?
O6O Mg6 C24C 88.5(4) . 2_565 ?
O6I Mg6 C24C 91.3(4) . 2_565 ?
C18B Mg6 C24C 176.1(3) . 2_565 ?
C25C Mg6 C24C 29.0(3) 2_565 2_565 ?
C17B Mg6 C24C 146.8(3) . 2_565 ?
O5B Mg8 O8C 102.0(3) . 2_565 ?
O5B Mg8 O9C 175.3(3) . 2_565 ?
O8C Mg8 O9C 82.6(3) 2_565 2_565 ?
O5B Mg8 O6B 83.1(3) . . ?
O8C Mg8 O6B 174.4(3) 2_565 . ?
O9C Mg8 O6B 92.3(3) 2_565 . ?
O5B Mg8 O8O 92.2(4) . . ?
O8C Mg8 O8O 91.1(4) 2_565 . ?
O9C Mg8 O8O 88.6(3) 2_565 . ?
O6B Mg8 O8O 91.0(3) . . ?
O5B Mg8 O8I 86.4(4) . . ?
O8C Mg8 O8I 86.1(4) 2_565 . ?
O9C Mg8 O8I 93.0(4) 2_565 . ?
O6B Mg8 O8I 91.9(4) . . ?
O8O Mg8 O8I 176.6(4) . . ?
O5B Mg8 C18C 128.8(3) . 2_565 ?
O8C Mg8 C18C 27.1(3) 2_565 2_565 ?
O9C Mg8 C18C 55.8(3) 2_565 2_565 ?
O6B Mg8 C18C 148.1(3) . 2_565 ?
O8O Mg8 C18C 86.7(4) . 2_565 ?
O8I Mg8 C18C 91.7(4) . 2_565 ?
O5B Mg8 C11B 26.7(3) . . ?
O8C Mg8 C11B 128.6(3) 2_565 . ?
O9C Mg8 C11B 148.6(3) 2_565 . ?
O6B Mg8 C11B 56.4(3) . . ?
O8O Mg8 C11B 92.9(3) . . ?
O8I Mg8 C11B 87.3(3) . . ?
C18C Mg8 C11B 155.5(3) 2_565 . ?
O5B Mg8 C19C 157.8(3) . 2_565 ?
O8C Mg8 C19C 56.0(3) 2_565 2_565 ?
O9C Mg8 C19C 26.9(3) 2_565 2_565 ?
O6B Mg8 C19C 119.0(3) . 2_565 ?
O8O Mg8 C19C 86.0(4) . 2_565 ?
O8I Mg8 C19C 94.1(4) . 2_565 ?
C18C Mg8 C19C 29.1(3) 2_565 2_565 ?
C11B Mg8 C19C 175.3(3) . 2_565 ?
C24D O10D Mg20 110.5(5) . . ?
C5B O3B Mg2 109.3(5) . . ?
C19F O9F Mg21 111.0(5) . . ?
C10F O4F Mg22 109.5(5) . . ?
C26A O12A Mg7 111.3(5) . . ?
C24B O10B Mg12 111.4(5) . 2_565 ?
C12E O6E Mg21 110.7(5) . 2_676 ?
C3A O1A Mg2 110.5(5) . . ?
C19E O9E Mg18 111.2(5) . 2_676 ?
C5A O3A Mg1 109.9(5) . . ?
C3F O1F Mg13 110.5(5) . . ?
C18F O8F Mg21 113.8(6) . . ?
C18F O8F Mg20 109.0(5) . 2_676 ?
Mg21 O8F Mg20 136.9(3) . 2_676 ?
C3E O1E Mg15 110.9(5) . . ?
C24F O10F Mg17 111.7(5) . . ?
C10B O4B Mg7 110.9(5) . . ?
C26D O12D Mg19 110.2(5) . . ?
C25E O11E Mg22 110.6(5) . . ?
C25E O11E Mg24 111.0(5) . 2_676 ?
Mg22 O11E Mg24 138.2(3) . 2_676 ?
C25B O11B Mg12 111.3(6) . 2_565 ?
C25B O11B Mg10 110.1(5) . . ?
Mg12 O11B Mg10 138.6(3) 2_565 . ?
C10D O4D Mg16 110.6(5) . . ?
C24E O10E Mg24 110.4(5) . 2_676 ?
C19D O9D Mg23 111.6(5) . . ?
C5F O3F Mg15 109.9(5) . . ?
C17E O7E Mg17 111.5(5) . 2_676 ?
C26E O12E Mg22 110.8(5) . . ?
C26B O12B Mg10 112.3(5) . . ?
C10C O4C Mg10 110.6(6) . . ?
C12F O6F Mg23 110.8(5) . 2_676 ?
C17F O7F Mg20 110.5(5) . 2_676 ?
C18E O8E Mg17 111.1(5) . 2_676 ?
C18E O8E Mg18 110.9(5) . 2_676 ?
Mg17 O8E Mg18 137.8(4) 2_676 2_676 ?
C17A O7A Mg12 109.8(6) . . ?
C26F O12F Mg16 110.4(5) . . ?
C12B O6B Mg8 109.8(5) . . ?
C18A O8A Mg12 111.0(6) . . ?
C18A O8A Mg11 109.5(5) . 2_565 ?
Mg12 O8A Mg11 139.3(3) . 2_565 ?
C4A O2A Mg2 111.8(5) . . ?
C4A O2A Mg1 109.5(5) . . ?
Mg2 O2A Mg1 138.5(3) . . ?
C12D O6D Mg18 111.0(5) . . ?
C12C O6C Mg11 111.8(5) . . ?
C5E O3E Mg14 111.7(5) . . ?
C12A O6A Mg5 111.4(6) . . ?
C10E O4E Mg19 110.3(5) . . ?
C19B O9B Mg5 109.5(6) . 2_565 ?
C3D O1D Mg14 110.7(5) . . ?
C25D O11D Mg19 110.4(5) . . ?
C25D O11D Mg20 111.5(5) . . ?
Mg19 O11D Mg20 138.0(4) . . ?
C3B O1B Mg3 112.6(5) . . ?
C11B O5B Mg8 111.7(5) . . ?
C11B O5B Mg7 109.4(5) . . ?
Mg8 O5B Mg7 138.6(3) . . ?
C4F O2F Mg15 110.8(5) . . ?
C4F O2F Mg13 111.4(5) . . ?
Mg15 O2F Mg13 137.7(3) . . ?
C10A O4A Mg4 110.9(5) . . ?
C24A O10A Mg9 112.2(5) . 2_565 ?
C26C O12C Mg4 111.5(6) . . ?
C4C O2C Mg3 110.8(6) . . ?
C4C O2C Mg1 110.9(6) . . ?
Mg3 O2C Mg1 137.9(3) . . ?
C5C O3C Mg3 110.4(6) . . ?
C17D O7D Mg24 111.1(5) . . ?
C3C O1C Mg1 111.3(6) . . ?
C5D O3D Mg13 109.8(6) . . ?
C17C O7C Mg9 111.0(6) . . ?
C11F O5F Mg23 110.9(5) . 2_676 ?
C11F O5F Mg22 109.3(5) . . ?
Mg23 O5F Mg22 139.3(3) 2_676 . ?
C24C O10C Mg6 109.6(6) . 2_565 ?
C11E O5E Mg21 110.8(6) . 2_676 ?
C11E O5E Mg19 111.5(6) . . ?
Mg21 O5E Mg19 137.6(4) 2_676 . ?
C17B O7B Mg6 110.7(6) . . ?
C11A O5A Mg5 109.5(6) . . ?
C11A O5A Mg4 111.6(6) . . ?
Mg5 O5A Mg4 138.9(3) . . ?
C4B O2B Mg2 109.5(5) . . ?
C4B O2B Mg3 110.3(5) . . ?
Mg2 O2B Mg3 139.5(3) . . ?
C19A O9A Mg11 111.2(5) . 2_565 ?
C18D O8D Mg24 112.3(5) . . ?
C18D O8D Mg23 109.2(5) . . ?
Mg24 O8D Mg23 137.1(3) . . ?
C11C O5C Mg10 113.1(6) . . ?
C11C O5C Mg11 110.6(6) . . ?
Mg10 O5C Mg11 136.1(4) . . ?
C25A O11A Mg7 111.3(6) . . ?
C25A O11A Mg9 110.0(6) . 2_565 ?
Mg7 O11A Mg9 138.7(4) . 2_565 ?
C19C O9C Mg8 110.3(6) . 2_565 ?
C4D O2D Mg14 111.7(6) . . ?
C4D O2D Mg13 110.3(6) . . ?
Mg14 O2D Mg13 137.8(4) . . ?
C4E O2E Mg14 110.9(5) . . ?
C4E O2E Mg15 109.6(5) . . ?
Mg14 O2E Mg15 139.4(4) . . ?
C11D O5D Mg18 111.5(6) . . ?
C11D O5D Mg16 109.7(6) . . ?
Mg18 O5D Mg16 138.8(3) . . ?
C18C O8C Mg9 111.6(7) . . ?
C18C O8C Mg8 109.1(7) . 2_565 ?
Mg9 O8C Mg8 139.0(4) . 2_565 ?
C18B O8B Mg6 110.9(6) . . ?
C18B O8B Mg5 109.4(6) . 2_565 ?
Mg6 O8B Mg5 138.8(3) . 2_565 ?
C25F O11F Mg16 112.1(6) . . ?
C25F O11F Mg17 109.7(6) . . ?
Mg16 O11F Mg17 137.7(3) . . ?
C2F C1F C6F 121.5(7) . . ?
C2F C1F H1F 119.2 . . ?
C6F C1F H1F 119.2 . . ?
C1B C6B C5B 118.2(7) . . ?
C1B C6B C7B 123.6(7) . . ?
C5B C6B C7B 118.1(7) . . ?
O6C C12C C13C 126.7(8) . . ?
O6C C12C C11C 116.7(8) . . ?
C13C C12C C11C 116.1(8) . . ?
O6C C12C Mg11 42.4(4) . . ?
C13C C12C Mg11 168.2(7) . . ?
C11C C12C Mg11 74.3(5) . . ?
C1F C2F C3F 119.9(7) . . ?
C1F C2F C28F 120.6(7) . . ?
C3F C2F C28F 119.4(7) . . ?
C25C O11C Mg4 111.9(6) . . ?
C25C O11C Mg6 110.1(6) . 2_565 ?
Mg4 O11C Mg6 138.0(4) . 2_565 ?
C8E C13E C12E 118.6(8) . . ?
C8E C13E C14E 123.3(8) . . ?
C12E C13E C14E 117.8(8) . . ?
C8F C9F C10F 118.1(7) . . ?
C8F C9F C7F 122.7(7) . . ?
C10F C9F C7F 119.2(7) . . ?
O12B C26B C27B 123.6(8) . . ?
O12B C26B C25B 115.7(8) . . ?
C27B C26B C25B 120.5(8) . . ?
O12B C26B Mg10 42.0(4) . . ?
C27B C26B Mg10 164.8(7) . . ?
C25B C26B Mg10 73.7(5) . . ?
C22F C27F C26F 118.0(8) . . ?
C22F C27F C28F 124.1(8) . . ?
C26F C27F C28F 117.9(7) . . ?
C29B C7B C9B 113.4(7) . . ?
C29B C7B C6B 112.0(7) . . ?
C9B C7B C6B 107.7(6) . . ?
C29B C7B H7B 107.8 . . ?
C9B C7B H7B 107.8 . . ?
C6B C7B H7B 107.8 . . ?
C10B C9B C8B 117.3(7) . . ?
C10B C9B C7B 119.8(7) . . ?
C8B C9B C7B 122.9(7) . . ?
C19F C20F C15F 120.0(7) . . ?
C19F C20F C21F 120.6(7) . . ?
C15F C20F C21F 119.3(7) . . ?
C24B C23B C22B 119.1(8) . . ?
C24B C23B C21B 121.7(8) . . ?
C22B C23B C21B 119.1(7) . . ?
C17F C16F C15F 119.4(8) . . ?
C17F C16F C14F 118.9(7) . . ?
C15F C16F C14F 121.6(7) . . ?
C5F C6F C1F 118.6(8) . . ?
C5F C6F C7F 120.1(7) . . ?
C1F C6F C7F 121.2(7) . . ?
C23D C22D C27D 124.2(8) . . ?
C23D C22D H22D 117.9 . . ?
C27D C22D H22D 117.9 . . ?
C9F C8F C13F 124.4(7) . . ?
C9F C8F H8F 117.8 . . ?
C13F C8F H8F 117.8 . . ?
C22D C27D C26D 117.1(8) . . ?
C22D C27D C28D 122.6(8) . . ?
C26D C27D C28D 120.2(8) . . ?
C16F C15F C20F 121.3(8) . . ?
C16F C15F H15F 119.3 . . ?
C20F C15F H15F 119.3 . . ?
C6F C5F O3F 123.5(7) . . ?
C6F C5F C4F 120.9(8) . . ?
O3F C5F C4F 115.5(7) . . ?
C6F C5F Mg15 165.9(6) . . ?
O3F C5F Mg15 42.6(3) . . ?
C4F C5F Mg15 73.1(5) . . ?
C15B C16B C17B 119.1(8) . . ?
C15B C16B C14B 121.1(8) . . ?
C17B C16B C14B 119.7(8) . . ?
O12A C26A C27A 124.2(8) . . ?
O12A C26A C25A 116.9(8) . . ?
C27A C26A C25A 118.8(8) . . ?
O12A C26A Mg7 42.8(4) . . ?
C27A C26A Mg7 165.9(7) . . ?
C25A C26A Mg7 74.4(5) . . ?
C27B C22B C23B 121.4(8) . . ?
C27B C22B H22B 119.3 . . ?
C23B C22B H22B 119.3 . . ?
C8B C13B C12B 119.1(8) . . ?
C8B C13B C14B 120.9(8) . . ?
C12B C13B C14B 120.0(8) . . ?
C13B C8B C9B 122.6(8) . . ?
C13B C8B H8B 118.7 . . ?
C9B C8B H8B 118.7 . . ?
C27F C28F C38F 114.7(7) . . ?
C27F C28F C2F 111.5(7) . . ?
C38F C28F C2F 111.4(7) . . ?
C27F C28F H28F 106.2 . . ?
C38F C28F H28F 106.2 . . ?
C2F C28F H28F 106.2 . . ?
O12D C26D C25D 115.6(8) . . ?
O12D C26D C27D 123.7(8) . . ?
C25D C26D C27D 120.6(8) . . ?
O12D C26D Mg19 42.9(4) . . ?
C25D C26D Mg19 72.7(5) . . ?
C27D C26D Mg19 166.4(6) . . ?
C5D C6D C1D 117.3(8) . . ?
C5D C6D C7D 120.9(8) . . ?
C1D C6D C7D 121.8(8) . . ?
C22F C23F C24F 118.1(8) . . ?
C22F C23F C21F 122.9(8) . . ?
C24F C23F C21F 119.0(7) . . ?
C6F C7F C29F 114.7(7) . . ?
C6F C7F C9F 110.3(6) . . ?
C29F C7F C9F 112.7(7) . . ?
C6F C7F H7F 106.1 . . ?
C29F C7F H7F 106.1 . . ?
C9F C7F H7F 106.1 . . ?
C8D C13D C12D 117.0(8) . . ?
C8D C13D C14D 123.1(8) . . ?
C12D C13D C14D 119.7(8) . . ?
C33B C32B C14B 116.1(9) . . ?
C33B C32B H32A 108.3 . . ?
C14B C32B H32A 108.3 . . ?
C33B C32B H32B 108.3 . . ?
C14B C32B H32B 108.3 . . ?
H32A C32B H32B 107.4 . . ?
C23D C21D C20D 112.6(7) . . ?
C23D C21D C35D 114.9(7) . . ?
C20D C21D C35D 112.8(7) . . ?
C23D C21D H21D 105.1 . . ?
C20D C21D H21D 105.1 . . ?
C35D C21D H21D 105.1 . . ?
O4F C10F C11F 117.5(7) . . ?
O4F C10F C9F 122.7(7) . . ?
C11F C10F C9F 119.8(7) . . ?
O4F C10F Mg22 43.4(4) . . ?
C11F C10F Mg22 74.5(5) . . ?
C9F C10F Mg22 165.2(6) . . ?
O12E C26E C25E 116.6(7) . . ?
O12E C26E C27E 122.3(8) . . ?
C25E C26E C27E 121.0(8) . . ?
O12E C26E Mg22 42.6(4) . . ?
C25E C26E Mg22 74.1(5) . . ?
C27E C26E Mg22 164.9(6) . . ?
C26E C27E C22E 118.2(8) . . ?
C26E C27E C28E 121.2(8) . . ?
C22E C27E C28E 120.6(8) . . ?
C27B C28B C38B 114.6(7) . . ?
C27B C28B C2B 110.8(7) . . ?
C38B C28B C2B 113.1(7) . . ?
C27B C28B H28B 105.9 . . ?
C38B C28B H28B 105.9 . . ?
C2B C28B H28B 105.9 . . ?
C13B C12B C11B 121.9(8) . . ?
C13B C12B O6B 123.6(8) . . ?
C11B C12B O6B 114.4(8) . . ?
C35F C21F C20F 114.5(7) . . ?
C35F C21F C23F 113.2(7) . . ?
C20F C21F C23F 110.2(6) . . ?
C35F C21F H21F 106.1 . . ?
C20F C21F H21F 106.1 . . ?
C23F C21F H21F 106.1 . . ?
C20F C19F O9F 124.4(7) . . ?
C20F C19F C18F 119.1(8) . . ?
O9F C19F C18F 116.4(7) . . ?
C20F C19F Mg21 166.1(6) . . ?
O9F C19F Mg21 42.3(4) . . ?
C18F C19F Mg21 74.1(5) . . ?
C12F C13F C8F 116.3(7) . . ?
C12F C13F C14F 120.4(7) . . ?
C8F C13F C14F 123.2(7) . . ?
C19D C20D C15D 117.9(8) . . ?
C19D C20D C21D 119.2(7) . . ?
C15D C20D C21D 122.8(8) . . ?
O1A C3A C2A 122.3(7) . . ?
O1A C3A C4A 116.5(7) . . ?
C2A C3A C4A 121.2(8) . . ?
O1A C3A Mg2 42.8(4) . . ?
C2A C3A Mg2 165.0(6) . . ?
C4A C3A Mg2 73.8(5) . . ?
O2A C4A C5A 120.3(7) . . ?
O2A C4A C3A 119.4(7) . . ?
C5A C4A C3A 120.3(8) . . ?
O2A C4A Mg1 43.8(4) . . ?
C5A C4A Mg1 76.5(5) . . ?
C3A C4A Mg1 163.2(6) . . ?
O2A C4A Mg2 42.2(4) . . ?
C5A C4A Mg2 162.4(6) . . ?
C3A C4A Mg2 77.3(5) . . ?
Mg1 C4A Mg2 85.9(3) . . ?
C22A C27A C26A 117.5(8) . . ?
C22A C27A C28A 123.2(8) . . ?
C26A C27A C28A 119.1(8) . . ?
C27D C28D C2D 110.5(7) . . ?
C27D C28D C38D 112.8(7) . . ?
C2D C28D C38D 112.9(8) . . ?
C27D C28D H28D 106.7 . . ?
C2D C28D H28D 106.7 . . ?
C38D C28D H28D 106.7 . . ?
C2F C3F C4F 121.6(8) . . ?
C2F C3F O1F 124.3(7) . . ?
C4F C3F O1F 114.0(7) . . ?
C23B C24B O10B 123.1(8) . . ?
C23B C24B C25B 121.3(9) . . ?
O10B C24B C25B 115.6(8) . . ?
C23B C24B Mg12 164.9(7) . 2_565 ?
O10B C24B Mg12 41.9(4) . 2_565 ?
C25B C24B Mg12 73.8(6) . 2_565 ?
C18A C19A C20A 122.6(9) . . ?
C18A C19A O9A 115.5(8) . . ?
C20A C19A O9A 121.9(8) . . ?
O10E C24E C23E 121.8(7) . . ?
O10E C24E C25E 117.9(7) . . ?
C23E C24E C25E 120.3(8) . . ?
O10E C24E Mg24 42.8(3) . 2_676 ?
C23E C24E Mg24 164.5(6) . 2_676 ?
C25E C24E Mg24 75.1(5) . 2_676 ?
O6E C12E C11E 115.6(8) . . ?
O6E C12E C13E 123.9(8) . . ?
C11E C12E C13E 120.4(8) . . ?
O6E C12E Mg21 42.8(4) . 2_676 ?
C11E C12E Mg21 72.9(5) . 2_676 ?
C13E C12E Mg21 166.0(6) . 2_676 ?
O4E C10E C11E 116.5(8) . . ?
O4E C10E C9E 121.4(8) . . ?
C11E C10E C9E 122.0(8) . . ?
O4E C10E Mg19 43.2(4) . . ?
C11E C10E Mg19 73.5(5) . . ?
C9E C10E Mg19 164.1(6) . . ?
C26B C27B C22B 118.3(8) . . ?
C26B C27B C28B 120.1(8) . . ?
C22B C27B C28B 121.3(8) . . ?
C2B C3B O1B 124.2(8) . . ?
C2B C3B C4B 121.3(8) . . ?
O1B C3B C4B 114.5(7) . . ?
C2B C3B Mg3 164.5(6) . . ?
O1B C3B Mg3 40.9(4) . . ?
C4B C3B Mg3 73.6(5) . . ?
C16D C15D C20D 124.6(8) . . ?
C16D C15D H15D 117.7 . . ?
C20D C15D H15D 117.7 . . ?
C24D C23D C22D 117.3(8) . . ?
C24D C23D C21D 120.4(8) . . ?
C22D C23D C21D 122.0(7) . . ?
C23F C22F C27F 124.9(8) . . ?
C23F C22F H22F 117.6 . . ?
C27F C22F H22F 117.6 . . ?
C27E C22E C23E 122.7(8) . . ?
C27E C22E H22E 118.7 . . ?
C23E C22E H22E 118.7 . . ?
C3B C2B C1B 118.2(8) . . ?
C3B C2B C28B 121.0(7) . . ?
C1B C2B C28B 120.8(7) . . ?
C13F C14F C32F 114.6(7) . . ?
C13F C14F C16F 111.0(6) . . ?
C32F C14F C16F 113.1(7) . . ?
C13F C14F H14F 105.8 . . ?
C32F C14F H14F 105.8 . . ?
C16F C14F H14F 105.8 . . ?
C9B C10B O4B 123.0(7) . . ?
C9B C10B C11B 121.8(8) . . ?
O4B C10B C11B 115.1(8) . . ?
C9B C10B Mg7 165.2(6) . . ?
O4B C10B Mg7 42.2(4) . . ?
C11B C10B Mg7 72.9(5) . . ?
C2A C28A C38A 115.1(8) . . ?
C2A C28A C27A 108.9(6) . . ?
C38A C28A C27A 110.6(8) . . ?
C2A C28A H28A 107.3 . . ?
C38A C28A H28A 107.3 . . ?
C27A C28A H28A 107.3 . . ?
O7F C17F C16F 124.0(7) . . ?
O7F C17F C18F 116.7(7) . . ?
C16F C17F C18F 119.3(8) . . ?
O7F C17F Mg20 43.0(4) . 2_676 ?
C16F C17F Mg20 166.5(6) . 2_676 ?
C18F C17F Mg20 74.0(5) . 2_676 ?
C13E C8E C9E 124.8(9) . . ?
C13E C8E H8E 117.6 . . ?
C9E C8E H8E 117.6 . . ?
O5E C11E C12E 121.4(8) . . ?
O5E C11E C10E 120.8(8) . . ?
C12E C11E C10E 117.8(8) . . ?
O5E C11E Mg21 43.5(4) . 2_676 ?
C12E C11E Mg21 78.0(5) . 2_676 ?
C10E C11E Mg21 164.2(7) . 2_676 ?
O5E C11E Mg19 43.2(4) . . ?
C12E C11E Mg19 164.6(7) . . ?
C10E C11E Mg19 77.6(5) . . ?
Mg21 C11E Mg19 86.6(3) 2_676 . ?
C9A C10A O4A 124.0(8) . . ?
C9A C10A C11A 120.6(8) . . ?
O4A C10A C11A 115.3(7) . . ?
C9A C10A Mg4 165.0(6) . . ?
O4A C10A Mg4 42.0(3) . . ?
C11A C10A Mg4 73.4(5) . . ?
C36F C35F C21F 111.3(10) . . ?
C36F C35F H35A 109.4 . . ?
C21F C35F H35A 109.4 . . ?
C36F C35F H35B 109.4 . . ?
C21F C35F H35B 109.4 . . ?
H35A C35F H35B 108.0 . . ?
O9D C19D C20D 125.3(8) . . ?
O9D C19D C18D 113.4(7) . . ?
C20D C19D C18D 121.3(8) . . ?
O9D C19D Mg23 41.9(4) . . ?
C20D C19D Mg23 165.4(6) . . ?
C18D C19D Mg23 72.0(5) . . ?
C16D C14D C13D 109.9(7) . . ?
C16D C14D C32D 115.3(7) . . ?
C13D C14D C32D 112.2(7) . . ?
C16D C14D H14D 106.3 . . ?
C13D C14D H14D 106.3 . . ?
C32D C14D H14D 106.3 . . ?
C6A C1A C2A 123.0(9) . . ?
C6A C1A H1A 118.5 . . ?
C2A C1A H1A 118.5 . . ?
O4D C10D C9D 123.7(8) . . ?
O4D C10D C11D 116.6(8) . . ?
C9D C10D C11D 119.7(9) . . ?
O4D C10D Mg16 42.7(4) . . ?
C9D C10D Mg16 166.3(7) . . ?
C11D C10D Mg16 73.9(5) . . ?
O3B C5B C4B 117.9(7) . . ?
O3B C5B C6B 122.7(7) . . ?
C4B C5B C6B 119.3(8) . . ?
O3B C5B Mg2 43.3(3) . . ?
C4B C5B Mg2 74.8(5) . . ?
C6B C5B Mg2 164.5(6) . . ?
O11B C25B C24B 120.1(8) . . ?
O11B C25B C26B 120.6(8) . . ?
C24B C25B C26B 119.0(9) . . ?
O11B C25B Mg12 42.6(4) . 2_565 ?
C24B C25B Mg12 77.6(6) . 2_565 ?
C26B C25B Mg12 162.9(7) . 2_565 ?
O11B C25B Mg10 43.6(4) . . ?
C24B C25B Mg10 163.8(7) . . ?
C26B C25B Mg10 77.1(5) . . ?
Mg12 C25B Mg10 86.2(3) 2_565 . ?
C2E C3E O1E 122.5(8) . . ?
C2E C3E C4E 121.4(8) . . ?
O1E C3E C4E 116.1(7) . . ?
C2E C3E Mg15 163.8(7) . . ?
O1E C3E Mg15 41.8(4) . . ?
C4E C3E Mg15 74.6(5) . . ?
C15E C20E C19E 117.0(8) . . ?
C15E C20E C21E 123.0(8) . . ?
C19E C20E C21E 120.1(8) . . ?
O11D C25D C26D 121.3(8) . . ?
O11D C25D C24D 119.6(8) . . ?
C26D C25D C24D 118.8(8) . . ?
O11D C25D Mg19 42.8(4) . . ?
C26D C25D Mg19 78.5(5) . . ?
C24D C25D Mg19 162.1(6) . . ?
O11D C25D Mg20 42.4(4) . . ?
C26D C25D Mg20 163.4(6) . . ?
C24D C25D Mg20 77.2(5) . . ?
Mg19 C25D Mg20 85.2(3) . . ?
O8F C18F C17F 121.7(8) . . ?
O8F C18F C19F 117.6(8) . . ?
C17F C18F C19F 120.7(8) . . ?
O8F C18F Mg20 44.6(4) . 2_676 ?
C17F C18F Mg20 77.1(5) . 2_676 ?
C19F C18F Mg20 162.2(6) . 2_676 ?
O8F C18F Mg21 41.0(4) . . ?
C17F C18F Mg21 162.6(7) . . ?
C19F C18F Mg21 76.7(5) . . ?
Mg20 C18F Mg21 85.5(3) 2_676 . ?
C6D C1D C2D 124.3(8) . . ?
C6D C1D H1D 117.8 . . ?
C2D C1D H1D 117.8 . . ?
C3A C2A C1A 117.0(8) . . ?
C3A C2A C28A 121.0(7) . . ?
C1A C2A C28A 122.0(8) . . ?
O1D C3D C2D 122.9(8) . . ?
O1D C3D C4D 115.7(8) . . ?
C2D C3D C4D 121.3(8) . . ?
O1D C3D Mg14 42.9(4) . . ?
C2D C3D Mg14 164.8(7) . . ?
C4D C3D Mg14 72.8(5) . . ?
O10F C24F C23F 124.6(8) . . ?
O10F C24F C25F 114.4(8) . . ?
C23F C24F C25F 121.0(8) . . ?
O10F C24F Mg17 42.0(4) . . ?
C23F C24F Mg17 165.9(6) . . ?
C25F C24F Mg17 72.8(5) . . ?
O11E C25E C26E 120.6(7) . . ?
O11E C25E C24E 118.4(7) . . ?
C26E C25E C24E 121.0(8) . . ?
O11E C25E Mg22 42.6(4) . . ?
C26E C25E Mg22 78.0(5) . . ?
C24E C25E Mg22 161.0(6) . . ?
O11E C25E Mg24 42.4(4) . 2_676 ?
C26E C25E Mg24 162.8(6) . 2_676 ?
C24E C25E Mg24 76.1(5) . 2_676 ?
Mg22 C25E Mg24 85.0(2) . 2_676 ?
O3A C5A C4A 117.7(8) . . ?
O3A C5A C6A 122.7(8) . . ?
C4A C5A C6A 119.7(8) . . ?
O3A C5A Mg1 43.1(4) . . ?
C4A C5A Mg1 74.6(5) . . ?
C6A C5A Mg1 165.6(6) . . ?
C13D C12D C11D 121.8(8) . . ?
C13D C12D O6D 123.4(8) . . ?
C11D C12D O6D 114.8(8) . . ?
C13D C12D Mg18 164.8(7) . . ?
C11D C12D Mg18 73.2(5) . . ?
O6D C12D Mg18 41.7(3) . . ?
C35B C21B C23B 114.7(8) . . ?
C35B C21B C20B 112.4(9) . . ?
C23B C21B C20B 109.6(7) . . ?
C35B C21B H21B 106.5 . . ?
C23B C21B H21B 106.5 . . ?
C20B C21B H21B 106.5 . . ?
C15D C16D C17D 117.6(8) . . ?
C15D C16D C14D 122.7(8) . . ?
C17D C16D C14D 119.7(8) . . ?
O8E C18E C19E 118.6(8) . . ?
O8E C18E C17E 119.2(8) . . ?
C19E C18E C17E 122.1(8) . . ?
O8E C18E Mg17 42.2(4) . 2_676 ?
C19E C18E Mg17 160.8(7) . 2_676 ?
C17E C18E Mg17 77.1(5) . 2_676 ?
O8E C18E Mg18 42.4(4) . 2_676 ?
C19E C18E Mg18 76.2(5) . 2_676 ?
C17E C18E Mg18 161.7(7) . 2_676 ?
Mg17 C18E Mg18 84.6(3) 2_676 2_676 ?
O7E C17E C16E 125.2(8) . . ?
O7E C17E C18E 116.2(8) . . ?
C16E C17E C18E 118.6(8) . . ?
O7E C17E Mg17 42.7(4) . 2_676 ?
C16E C17E Mg17 167.7(7) . 2_676 ?
C18E C17E Mg17 73.5(5) . 2_676 ?
C10D C9D C8D 118.0(8) . . ?
C10D C9D C7D 120.4(8) . . ?
C8D C9D C7D 121.5(8) . . ?
C8A C13A C12A 118.5(8) . . ?
C8A C13A C14A 121.5(8) . . ?
C12A C13A C14A 119.8(8) . . ?
C2E C1E C6E 124.2(8) . . ?
C2E C1E H1E 117.9 . . ?
C6E C1E H1E 117.9 . . ?
O6F C12F C13F 122.9(7) . . ?
O6F C12F C11F 116.2(7) . . ?
C13F C12F C11F 120.8(8) . . ?
O6F C12F Mg23 42.6(4) . 2_676 ?
C13F C12F Mg23 165.1(6) . 2_676 ?
C11F C12F Mg23 73.7(5) . 2_676 ?
C30F C29F C7F 114.0(7) . . ?
C30F C29F H29A 108.8 . . ?
C7F C29F H29A 108.8 . . ?
C30F C29F H29B 108.8 . . ?
C7F C29F H29B 108.8 . . ?
H29A C29F H29B 107.7 . . ?
C20A C15A C16A 123.4(10) . . ?
C20A C15A H15A 118.3 . . ?
C16A C15A H15A 118.3 . . ?
C20E C15E C16E 125.0(8) . . ?
C20E C15E H15E 117.5 . . ?
C16E C15E H15E 117.5 . . ?
C39B C38B C28B 113.9(9) . . ?
C39B C38B H38A 108.8 . . ?
C28B C38B H38A 108.8 . . ?
C39B C38B H38B 108.8 . . ?
C28B C38B H38B 108.8 . . ?
H38A C38B H38B 107.7 . . ?
C9D C7D C6D 109.1(7) . . ?
C9D C7D C29D 114.5(8) . . ?
C6D C7D C29D 112.8(7) . . ?
C9D C7D H7D 106.7 . . ?
C6D C7D H7D 106.7 . . ?
C29D C7D H7D 106.7 . . ?
C33F C32F C14F 115.3(9) . . ?
C33F C32F H32C 108.4 . . ?
C14F C32F H32C 108.4 . . ?
C33F C32F H32D 108.4 . . ?
C14F C32F H32D 108.4 . . ?
H32C C32F H32D 107.5 . . ?
O5C C11C C10C 118.2(8) . . ?
O5C C11C C12C 119.7(8) . . ?
C10C C11C C12C 121.8(9) . . ?
O5C C11C Mg11 43.3(4) . . ?
C10C C11C Mg11 161.2(7) . . ?
C12C C11C Mg11 76.4(5) . . ?
O5C C11C Mg10 41.5(4) . . ?
C10C C11C Mg10 76.7(6) . . ?
C12C C11C Mg10 160.5(7) . . ?
Mg11 C11C Mg10 84.7(3) . . ?
C18B C19B O9B 117.4(8) . . ?
C18B C19B C20B 120.0(9) . . ?
O9B C19B C20B 122.5(8) . . ?
C18B C19B Mg5 74.6(6) . 2_565 ?
O9B C19B Mg5 43.2(4) . 2_565 ?
C20B C19B Mg5 165.0(7) . 2_565 ?
C6B C1B C2B 122.8(8) . . ?
C6B C1B H1B 118.6 . . ?
C2B C1B H1B 118.6 . . ?
O10A C24A C23A 126.5(8) . . ?
O10A C24A C25A 114.8(8) . . ?
C23A C24A C25A 118.7(9) . . ?
O10A C24A Mg9 41.6(4) . 2_565 ?
C23A C24A Mg9 167.7(7) . 2_565 ?
C25A C24A Mg9 73.2(5) . 2_565 ?
C30B C29B C7B 112.1(8) . . ?
C30B C29B H1 109.2 . . ?
C7B C29B H1 109.2 . . ?
C30B C29B H2 109.2 . . ?
C7B C29B H2 109.2 . . ?
H1 C29B H2 107.9 . . ?
C29F C30F C31F 111.8(8) . . ?
C29F C30F H30A 109.3 . . ?
C31F C30F H30A 109.3 . . ?
C29F C30F H30B 109.3 . . ?
C31F C30F H30B 109.3 . . ?
H30A C30F H30B 107.9 . . ?
C9A C8A C13A 123.8(9) . . ?
C9A C8A H8A 118.1 . . ?
C13A C8A H8A 118.1 . . ?
C16B C15B C20B 123.3(9) . . ?
C16B C15B H15B 118.3 . . ?
C20B C15B H15B 118.3 . . ?
C13D C8D C9D 123.8(8) . . ?
C13D C8D H8D 118.1 . . ?
C9D C8D H8D 118.1 . . ?
O10D C24D C23D 122.2(8) . . ?
O10D C24D C25D 116.4(7) . . ?
C23D C24D C25D 121.4(8) . . ?
O10D C24D Mg20 42.8(4) . . ?
C23D C24D Mg20 164.8(7) . . ?
C25D C24D Mg20 73.6(5) . . ?
C8E C9E C10E 115.9(8) . . ?
C8E C9E C7E 123.4(8) . . ?
C10E C9E C7E 120.5(8) . . ?
C39F C38F C28F 116.0(8) . . ?
C39F C38F H38C 108.3 . . ?
C28F C38F H38C 108.3 . . ?
C39F C38F H38D 108.3 . . ?
C28F C38F H38D 108.3 . . ?
H38C C38F H38D 107.4 . . ?
O2F C4F C5F 120.7(8) . . ?
O2F C4F C3F 121.7(8) . . ?
C5F C4F C3F 117.5(8) . . ?
O2F C4F Mg15 42.8(4) . . ?
C5F C4F Mg15 78.0(5) . . ?
C3F C4F Mg15 164.5(6) . . ?
O2F C4F Mg13 42.5(4) . . ?
C5F C4F Mg13 163.2(6) . . ?
C3F C4F Mg13 79.3(5) . . ?
Mg15 C4F Mg13 85.2(3) . . ?
C24E C23E C22E 116.7(8) . . ?
C24E C23E C21E 121.5(8) . . ?
C22E C23E C21E 121.6(8) . . ?
C15A C20A C19A 116.7(9) . . ?
C15A C20A C21A 123.0(9) . . ?
C19A C20A C21A 120.2(8) . . ?
O5D C11D C12D 120.2(8) . . ?
O5D C11D C10D 120.3(8) . . ?
C12D C11D C10D 119.5(9) . . ?
O5D C11D Mg16 43.3(4) . . ?
C12D C11D Mg16 163.5(7) . . ?
C10D C11D Mg16 76.9(6) . . ?
O5D C11D Mg18 42.0(4) . . ?
C12D C11D Mg18 78.3(5) . . ?
C10D C11D Mg18 162.2(7) . . ?
Mg16 C11D Mg18 85.3(3) . . ?
C3E C2E C1E 116.3(8) . . ?
C3E C2E C28E 120.7(8) . . ?
C1E C2E C28E 122.9(8) . . ?
C29B C30B C31B 111.1(8) . . ?
C29B C30B H3 109.4 . . ?
C31B C30B H3 109.4 . . ?
C29B C30B H4 109.4 . . ?
C31B C30B H4 109.4 . . ?
H3 C30B H4 108.0 . . ?
O7B C17B C16B 124.3(8) . . ?
O7B C17B C18B 116.3(8) . . ?
C16B C17B C18B 119.3(9) . . ?
O7B C17B Mg6 42.6(4) . . ?
C16B C17B Mg6 166.3(7) . . ?
C18B C17B Mg6 74.2(5) . . ?
C5E C6E C1E 118.3(8) . . ?
C5E C6E C7E 119.9(8) . . ?
C1E C6E C7E 121.8(8) . . ?
C8A C9A C10A 117.9(8) . . ?
C8A C9A C7A 123.6(8) . . ?
C10A C9A C7A 118.4(8) . . ?
C1D C2D C3D 116.3(8) . . ?
C1D C2D C28D 122.9(8) . . ?
C3D C2D C28D 120.8(8) . . ?
C15C C16C C17C 118.8(10) . . ?
C15C C16C C14C 125.1(10) . . ?
C17C C16C C14C 115.8(9) . . ?
C38E C28E C2E 112.8(7) . . ?
C38E C28E C27E 114.2(8) . . ?
C2E C28E C27E 109.3(7) . . ?
C38E C28E H28E 106.7 . . ?
C2E C28E H28E 106.7 . . ?
C27E C28E H28E 106.7 . . ?
C16C C14C C13C 112.6(9) . . ?
C16C C14C C32C 110.3(9) . . ?
C13C C14C C32C 112.4(8) . . ?
C16C C14C H14C 107.1 . . ?
C13C C14C H14C 107.1 . . ?
C32C C14C H14C 107.1 . . ?
O5B C11B C10B 121.8(8) . . ?
O5B C11B C12B 120.9(8) . . ?
C10B C11B C12B 117.3(8) . . ?
O5B C11B Mg8 41.7(4) . . ?
C10B C11B Mg8 163.3(7) . . ?
C12B C11B Mg8 79.3(5) . . ?
O5B C11B Mg7 43.5(4) . . ?
C10B C11B Mg7 78.3(5) . . ?
C12B C11B Mg7 164.4(7) . . ?
Mg8 C11B Mg7 85.1(3) . . ?
C9C C8C C13C 121.1(9) . . ?
C9C C8C H8C 119.4 . . ?
C13C C8C H8C 119.4 . . ?
C17E C16E C15E 118.3(8) . . ?
C17E C16E C14E 120.1(8) . . ?
C15E C16E C14E 121.5(8) . . ?
O5A C11A C12A 121.0(9) . . ?
O5A C11A C10A 119.4(8) . . ?
C12A C11A C10A 119.5(9) . . ?
O5A C11A Mg5 43.2(4) . . ?
C12A C11A Mg5 77.8(6) . . ?
C10A C11A Mg5 162.6(7) . . ?
O5A C11A Mg4 41.9(4) . . ?
C12A C11A Mg4 162.8(7) . . ?
C10A C11A Mg4 77.6(5) . . ?
Mg5 C11A Mg4 85.1(3) . . ?
O5F C11F C10F 120.0(7) . . ?
O5F C11F C12F 119.5(7) . . ?
C10F C11F C12F 120.4(8) . . ?
O5F C11F Mg22 43.7(4) . . ?
C10F C11F Mg22 76.6(5) . . ?
C12F C11F Mg22 162.9(6) . . ?
O5F C11F Mg23 42.4(4) . 2_676 ?
C10F C11F Mg23 162.4(6) . 2_676 ?
C12F C11F Mg23 77.1(5) . 2_676 ?
Mg22 C11F Mg23 85.9(2) . 2_676 ?
C13E C14E C32E 115.0(8) . . ?
C13E C14E C16E 111.2(7) . . ?
C32E C14E C16E 111.8(8) . . ?
C13E C14E H14E 106.0 . . ?
C32E C14E H14E 106.0 . . ?
C16E C14E H14E 106.0 . . ?
O9E C19E C18E 117.4(8) . . ?
O9E C19E C20E 123.6(8) . . ?
C18E C19E C20E 119.0(8) . . ?
O9E C19E Mg18 43.0(4) . 2_676 ?
C18E C19E Mg18 74.7(5) . 2_676 ?
C20E C19E Mg18 166.1(6) . 2_676 ?
C32B C14B C13B 114.2(7) . . ?
C32B C14B C16B 115.6(8) . . ?
C13B C14B C16B 109.7(7) . . ?
C32B C14B H14B 105.5 . . ?
C13B C14B H14B 105.5 . . ?
C16B C14B H14B 105.5 . . ?
C2C C28C C27C 108.7(8) . . ?
C2C C28C C38C 112.9(9) . . ?
C27C C28C C38C 112.6(8) . . ?
C2C C28C H28C 107.4 . . ?
C27C C28C H28C 107.4 . . ?
C38C C28C H28C 107.4 . . ?
C15B C20B C19B 117.6(9) . . ?
C15B C20B C21B 122.7(8) . . ?
C19B C20B C21B 119.7(8) . . ?
C6C C7C C9C 113.8(8) . . ?
C6C C7C C29C 113.3(10) . . ?
C9C C7C C29C 108.9(8) . . ?
C6C C7C H7C 106.8 . . ?
C9C C7C H7C 106.8 . . ?
C29C C7C H7C 106.8 . . ?
O6A C12A C11A 115.6(8) . . ?
O6A C12A C13A 124.9(8) . . ?
C11A C12A C13A 119.4(9) . . ?
O6A C12A Mg5 42.0(4) . . ?
C11A C12A Mg5 73.8(6) . . ?
C13A C12A Mg5 166.6(7) . . ?
O11A C25A C24A 120.8(8) . . ?
O11A C25A C26A 118.6(8) . . ?
C24A C25A C26A 120.6(9) . . ?
O11A C25A Mg9 43.1(4) . 2_565 ?
C24A C25A Mg9 77.6(5) . 2_565 ?
C26A C25A Mg9 161.7(7) . 2_565 ?
O11A C25A Mg7 42.3(4) . . ?
C24A C25A Mg7 162.9(7) . . ?
C26A C25A Mg7 76.3(5) . . ?
Mg9 C25A Mg7 85.4(3) 2_565 . ?
O12F C26F C27F 124.4(8) . . ?
O12F C26F C25F 117.8(8) . . ?
C27F C26F C25F 117.7(8) . . ?
O12F C26F Mg16 43.1(4) . . ?
C27F C26F Mg16 166.7(6) . . ?
C25F C26F Mg16 75.1(5) . . ?
C23C C24C O10C 123.3(9) . . ?
C23C C24C C25C 120.1(10) . . ?
O10C C24C C25C 116.6(9) . . ?
C23C C24C Mg6 166.5(8) . 2_565 ?
O10C C24C Mg6 43.2(4) . 2_565 ?
C25C C24C Mg6 73.3(6) . 2_565 ?
C36D C35D C21D 113.5(8) . . ?
C36D C35D H35C 108.9 . . ?
C21D C35D H35C 108.9 . . ?
C36D C35D H35D 108.9 . . ?
C21D C35D H35D 108.9 . . ?
H35C C35D H35D 107.7 . . ?
C22C C27C C26C 118.5(9) . . ?
C22C C27C C28C 122.9(9) . . ?
C26C C27C C28C 118.5(9) . . ?
O1C C3C C4C 116.1(8) . . ?
O1C C3C C2C 124.5(9) . . ?
C4C C3C C2C 119.3(9) . . ?
O1C C3C Mg1 42.6(4) . . ?
C4C C3C Mg1 73.6(5) . . ?
C2C C3C Mg1 165.8(7) . . ?
C24C C23C C22C 118.8(9) . . ?
C24C C23C C21C 119.3(9) . . ?
C22C C23C C21C 121.9(9) . . ?
C15A C16A C17A 117.7(8) . . ?
C15A C16A C14A 121.6(8) . . ?
C17A C16A C14A 120.7(8) . . ?
C23A C22A C27A 124.4(9) . . ?
C23A C22A H22A 117.8 . . ?
C27A C22A H22A 117.8 . . ?
C29A C7A C9A 114.0(8) . . ?
C29A C7A C6A 110.9(8) . . ?
C9A C7A C6A 108.7(7) . . ?
C29A C7A H7A 107.6 . . ?
C9A C7A H7A 107.6 . . ?
C6A C7A H7A 107.6 . . ?
C15C C20C C19C 116.9(9) . . ?
C15C C20C C21C 125.7(9) . . ?
C19C C20C C21C 117.4(9) . . ?
C33D C32D C14D 116.4(8) . . ?
C33D C32D H32E 108.2 . . ?
C14D C32D H32E 108.2 . . ?
C33D C32D H32F 108.2 . . ?
C14D C32D H32F 108.2 . . ?
H32E C32D H32F 107.3 . . ?
O8A C18A C17A 118.9(9) . . ?
O8A C18A C19A 122.0(8) . . ?
C17A C18A C19A 119.1(9) . . ?
O8A C18A Mg12 42.0(4) . . ?
C17A C18A Mg12 76.9(6) . . ?
C19A C18A Mg12 163.9(7) . . ?
O8A C18A Mg11 43.6(4) . 2_565 ?
C17A C18A Mg11 162.2(7) . 2_565 ?
C19A C18A Mg11 78.4(6) . 2_565 ?
Mg12 C18A Mg11 85.5(3) . 2_565 ?
O7C C17C C16C 125.2(9) . . ?
O7C C17C C18C 115.2(9) . . ?
C16C C17C C18C 119.6(9) . . ?
O7C C17C Mg9 42.3(4) . . ?
C16C C17C Mg9 166.5(8) . . ?
C18C C17C Mg9 73.1(6) . . ?
O7D C17D C16D 124.1(8) . . ?
O7D C17D C18D 114.1(7) . . ?
C16D C17D C18D 121.7(8) . . ?
O7D C17D Mg24 42.3(4) . . ?
C16D C17D Mg24 164.5(6) . . ?
C18D C17D Mg24 72.1(5) . . ?
O4C C10C C9C 122.6(10) . . ?
O4C C10C C11C 117.9(9) . . ?
C9C C10C C11C 119.6(10) . . ?
O4C C10C Mg10 43.3(5) . . ?
C9C C10C Mg10 165.7(8) . . ?
C11C C10C Mg10 74.6(6) . . ?
C1A C6A C5A 118.8(8) . . ?
C1A C6A C7A 122.8(9) . . ?
C5A C6A C7A 118.3(8) . . ?
O8D C18D C19D 122.8(8) . . ?
O8D C18D C17D 120.3(8) . . ?
C19D C18D C17D 116.9(8) . . ?
O8D C18D Mg23 44.7(4) . . ?
C19D C18D Mg23 78.2(5) . . ?
C17D C18D Mg23 164.6(6) . . ?
O8D C18D Mg24 42.4(4) . . ?
C19D C18D Mg24 164.4(6) . . ?
C17D C18D Mg24 78.2(5) . . ?
Mg23 C18D Mg24 86.5(3) . . ?
O2E C4E C3E 120.4(8) . . ?
O2E C4E C5E 119.0(8) . . ?
C3E C4E C5E 120.6(8) . . ?
O2E C4E Mg14 42.3(4) . . ?
C3E C4E Mg14 162.7(6) . . ?
C5E C4E Mg14 76.7(6) . . ?
O2E C4E Mg15 43.6(4) . . ?
C3E C4E Mg15 76.9(5) . . ?
C5E C4E Mg15 162.5(7) . . ?
Mg14 C4E Mg15 85.9(3) . . ?
C20E C21E C23E 111.8(7) . . ?
C20E C21E C35E 112.5(7) . . ?
C23E C21E C35E 114.6(7) . . ?
C20E C21E H21E 105.7 . . ?
C23E C21E H21E 105.7 . . ?
C35E C21E H21E 105.7 . . ?
O7A C17A C18A 117.3(8) . . ?
O7A C17A C16A 122.1(8) . . ?
C18A C17A C16A 120.5(9) . . ?
O7A C17A Mg12 42.9(4) . . ?
C18A C17A Mg12 74.7(6) . . ?
C16A C17A Mg12 164.7(7) . . ?
C1C C2C C3C 117.7(9) . . ?
C1C C2C C28C 124.2(9) . . ?
C3C C2C C28C 118.1(9) . . ?
O11F C25F C24F 122.5(8) . . ?
O11F C25F C26F 117.1(8) . . ?
C24F C25F C26F 120.4(8) . . ?
O11F C25F Mg17 43.9(4) . . ?
C24F C25F Mg17 78.6(5) . . ?
C26F C25F Mg17 160.8(6) . . ?
O11F C25F Mg16 42.0(4) . . ?
C24F C25F Mg16 164.1(7) . . ?
C26F C25F Mg16 75.2(5) . . ?
Mg17 C25F Mg16 85.7(3) . . ?
C14E C32E C33E 116.2(12) . . ?
C14E C32E H32G 108.2 . . ?
C33E C32E H32G 108.2 . . ?
C14E C32E H32H 108.2 . . ?
C33E C32E H32H 108.2 . . ?
H32G C32E H32H 107.4 . . ?
C21B C35B C36B 113.8(10) . . ?
C21B C35B H5 108.8 . . ?
C36B C35B H5 108.8 . . ?
C21B C35B H6 108.8 . . ?
C36B C35B H6 108.8 . . ?
H5 C35B H6 107.7 . . ?
O3D C5D C6D 122.1(8) . . ?
O3D C5D C4D 115.6(8) . . ?
C6D C5D C4D 122.3(9) . . ?
O3D C5D Mg13 43.1(4) . . ?
C6D C5D Mg13 164.0(7) . . ?
C4D C5D Mg13 72.7(6) . . ?
O2D C4D C5D 121.6(9) . . ?
O2D C4D C3D 120.3(8) . . ?
C5D C4D C3D 118.1(9) . . ?
O2D C4D Mg13 43.4(4) . . ?
C5D C4D Mg13 78.2(6) . . ?
C3D C4D Mg13 163.7(7) . . ?
O2D C4D Mg14 42.3(4) . . ?
C5D C4D Mg14 163.9(7) . . ?
C3D C4D Mg14 78.0(6) . . ?
Mg13 C4D Mg14 85.7(3) . . ?
O2B C4B C5B 119.5(8) . . ?
O2B C4B C3B 120.5(7) . . ?
C5B C4B C3B 120.1(8) . . ?
O2B C4B Mg2 43.1(4) . . ?
C5B C4B Mg2 76.5(5) . . ?
C3B C4B Mg2 163.3(6) . . ?
O2B C4B Mg3 42.7(4) . . ?
C5B C4B Mg3 162.1(6) . . ?
C3B C4B Mg3 77.8(5) . . ?
Mg2 C4B Mg3 85.7(2) . . ?
C2C C1C C6C 126.4(10) . . ?
C2C C1C H1C 116.8 . . ?
C6C C1C H1C 116.8 . . ?
C10C C9C C8C 119.6(9) . . ?
C10C C9C C7C 118.1(9) . . ?
C8C C9C C7C 121.7(8) . . ?
O3E C5E C6E 124.8(9) . . ?
O3E C5E C4E 116.1(8) . . ?
C6E C5E C4E 119.1(9) . . ?
O3E C5E Mg14 41.7(4) . . ?
C6E C5E Mg14 166.2(7) . . ?
C4E C5E Mg14 74.5(5) . . ?
C27C C22C C23C 122.2(10) . . ?
C27C C22C H22C 118.9 . . ?
C23C C22C H22C 118.9 . . ?
O3C C5C C6C 123.3(8) . . ?
O3C C5C C4C 115.1(8) . . ?
C6C C5C C4C 121.6(9) . . ?
O3C C5C Mg3 42.6(4) . . ?
C6C C5C Mg3 164.3(7) . . ?
C4C C5C Mg3 72.9(5) . . ?
C29E C7E C6E 114.2(7) . . ?
C29E C7E C9E 113.0(8) . . ?
C6E C7E C9E 109.6(7) . . ?
C29E C7E H7E 106.5 . . ?
C6E C7E H7E 106.5 . . ?
C9E C7E H7E 106.5 . . ?
O2C C4C C3C 120.1(8) . . ?
O2C C4C C5C 120.8(8) . . ?
C3C C4C C5C 119.0(9) . . ?
O2C C4C Mg3 43.0(4) . . ?
C3C C4C Mg3 162.9(7) . . ?
C5C C4C Mg3 77.9(5) . . ?
O2C C4C Mg1 42.9(4) . . ?
C3C C4C Mg1 77.3(6) . . ?
C5C C4C Mg1 163.4(7) . . ?
Mg3 C4C Mg1 85.7(3) . . ?
C19B C18B O8B 121.0(9) . . ?
C19B C18B C17B 120.7(9) . . ?
O8B C18B C17B 118.3(8) . . ?
C19B C18B Mg5 77.6(6) . 2_565 ?
O8B C18B Mg5 43.5(4) . 2_565 ?
C17B C18B Mg5 161.5(7) . 2_565 ?
C19B C18B Mg6 162.8(7) . . ?
O8B C18B Mg6 42.3(4) . . ?
C17B C18B Mg6 76.1(5) . . ?
Mg5 C18B Mg6 85.5(3) 2_565 . ?
O8C C18C C19C 121.5(10) . . ?
O8C C18C C17C 119.8(9) . . ?
C19C C18C C17C 118.4(10) . . ?
O8C C18C Mg8 43.9(5) . 2_565 ?
C19C C18C Mg8 77.9(6) . 2_565 ?
C17C C18C Mg8 163.7(8) . 2_565 ?
O8C C18C Mg9 42.1(5) . . ?
C19C C18C Mg9 163.5(8) . . ?
C17C C18C Mg9 77.8(6) . . ?
Mg8 C18C Mg9 85.9(3) 2_565 . ?
C12C C13C C8C 120.8(9) . . ?
C12C C13C C14C 117.6(9) . . ?
C8C C13C C14C 121.2(9) . . ?
O11C C25C C26C 119.9(9) . . ?
O11C C25C C24C 121.0(9) . . ?
C26C C25C C24C 119.0(9) . . ?
O11C C25C Mg4 41.9(4) . . ?
C26C C25C Mg4 78.0(6) . . ?
C24C C25C Mg4 162.8(7) . . ?
O11C C25C Mg6 43.4(4) . 2_565 ?
C26C C25C Mg6 163.0(7) . 2_565 ?
C24C C25C Mg6 77.6(6) . 2_565 ?
Mg4 C25C Mg6 85.2(3) . 2_565 ?
C7D C29D C30D 112.9(9) . . ?
C7D C29D H29C 109.0 . . ?
C30D C29D H29C 109.0 . . ?
C7D C29D H29D 109.0 . . ?
C30D C29D H29D 109.0 . . ?
H29C C29D H29D 107.8 . . ?
C24A C23A C22A 119.6(9) . . ?
C24A C23A C21A 117.5(8) . . ?
C22A C23A C21A 122.8(9) . . ?
C16C C15C C20C 126.0(10) . . ?
C16C C15C H15C 117.0 . . ?
C20C C15C H15C 117.0 . . ?
C28E C38E C39E 120.4(10) . . ?
C28E C38E H38E 107.2 . . ?
C39E C38E H38E 107.2 . . ?
C28E C38E H38F 107.2 . . ?
C39E C38E H38F 107.2 . . ?
H38E C38E H38F 106.8 . . ?
C35A C21A C23A 113.5(8) . . ?
C35A C21A C20A 112.0(8) . . ?
C23A C21A C20A 108.9(7) . . ?
C35A C21A H21A 107.4 . . ?
C23A C21A H21A 107.4 . . ?
C20A C21A H21A 107.4 . . ?
C7A C29A C30A 109.5(9) . . ?
C7A C29A H7 109.8 . . ?
C30A C29A H7 109.8 . . ?
C7A C29A H8 109.8 . . ?
C30A C29A H8 109.8 . . ?
H7 C29A H8 108.2 . . ?
C35C C21C C23C 112.7(8) . . ?
C35C C21C C20C 114.1(10) . . ?
C23C C21C C20C 108.2(8) . . ?
C35C C21C H21C 107.2 . . ?
C23C C21C H21C 107.2 . . ?
C20C C21C H21C 107.2 . . ?
C1C C6C C5C 115.9(9) . . ?
C1C C6C C7C 125.6(9) . . ?
C5C C6C C7C 118.4(9) . . ?
O9C C19C C18C 115.7(9) . . ?
O9C C19C C20C 124.4(9) . . ?
C18C C19C C20C 119.9(10) . . ?
O9C C19C Mg8 42.8(4) . 2_565 ?
C18C C19C Mg8 73.1(6) . 2_565 ?
C20C C19C Mg8 166.0(8) . 2_565 ?
C25C C26C O12C 114.9(9) . . ?
C25C C26C C27C 121.2(9) . . ?
O12C C26C C27C 123.8(9) . . ?
C25C C26C Mg4 73.8(6) . . ?
O12C C26C Mg4 41.2(4) . . ?
C27C C26C Mg4 165.0(7) . . ?
C30B C31B H31A 109.5 . . ?
C30B C31B H31B 109.5 . . ?
H31A C31B H31B 109.5 . . ?
C30B C31B H31C 109.5 . . ?
H31A C31B H31C 109.5 . . ?
H31B C31B H31C 109.5 . . ?
C36E C35E C21E 109.1(8) . . ?
C36E C35E H35E 109.9 . . ?
C21E C35E H35E 109.9 . . ?
C36E C35E H35F 109.9 . . ?
C21E C35E H35F 109.9 . . ?
H35E C35E H35F 108.3 . . ?
C28A C38A C39A 110.9(10) . . ?
C28A C38A H9 109.5 . . ?
C39A C38A H9 109.5 . . ?
C28A C38A H10 109.5 . . ?
C39A C38A H10 109.5 . . ?
H9 C38A H10 108.0 . . ?
C39D C38D C28D 114.4(8) . . ?
C39D C38D H38G 108.7 . . ?
C28D C38D H38G 108.7 . . ?
C39D C38D H38H 108.7 . . ?
C28D C38D H38H 108.7 . . ?
H38G C38D H38H 107.6 . . ?
C7E C29E C30E 114.1(9) . . ?
C7E C29E H29E 108.7 . . ?
C30E C29E H29E 108.7 . . ?
C7E C29E H29F 108.7 . . ?
C30E C29E H29F 108.7 . . ?
H29E C29E H29F 107.6 . . ?
C30F C31F H31D 109.5 . . ?
C30F C31F H31E 109.5 . . ?
H31D C31F H31E 109.5 . . ?
C30F C31F H31F 109.5 . . ?
H31D C31F H31F 109.5 . . ?
H31E C31F H31F 109.5 . . ?
C36A C35A C21A 113.7(10) . . ?
C36A C35A H11 108.8 . . ?
C21A C35A H11 108.8 . . ?
C36A C35A H12 108.8 . . ?
C21A C35A H12 108.8 . . ?
H11 C35A H12 107.7 . . ?
C39C C38C C28C 112.3(12) . . ?
C39C C38C H13 109.2 . . ?
C28C C38C H13 109.2 . . ?
C39C C38C H14 109.2 . . ?
C28C C38C H14 109.2 . . ?
H13 C38C H14 107.9 . . ?
C14A C32A C33A 116.5(9) . . ?
C14A C32A H15 108.2 . . ?
C33A C32A H15 108.2 . . ?
C14A C32A H16 108.2 . . ?
C33A C32A H16 108.2 . . ?
H15 C32A H16 107.3 . . ?
C32A C14A C16A 116.9(10) . . ?
C32A C14A C13A 110.9(10) . . ?
C16A C14A C13A 110.4(7) . . ?
C32A C14A H14A 105.9 . . ?
C16A C14A H14A 105.9 . . ?
C13A C14A H14A 105.9 . . ?
C32B C33B C34B 113.0(10) . . ?
C32B C33B H33A 109.0 . . ?
C34B C33B H33A 109.0 . . ?
C32B C33B H33B 109.0 . . ?
C34B C33B H33B 109.0 . . ?
H33A C33B H33B 107.8 . . ?
C21C C35C C36C 110.6(10) . . ?
C21C C35C H17 109.5 . . ?
C36C C35C H17 109.5 . . ?
C21C C35C H18 109.5 . . ?
C36C C35C H18 109.5 . . ?
H17 C35C H18 108.1 . . ?
C40D C39D C38D 112.8(9) . . ?
C40D C39D H39A 109.0 . . ?
C38D C39D H39A 109.0 . . ?
C40D C39D H39B 109.0 . . ?
C38D C39D H39B 109.0 . . ?
H39A C39D H39B 107.8 . . ?
C35A C36A C37A 110.9(12) . . ?
C35A C36A H36A 109.5 . . ?
C37A C36A H36A 109.5 . . ?
C35A C36A H36B 109.5 . . ?
C37A C36A H36B 109.5 . . ?
H36A C36A H36B 108.0 . . ?
C30C C29C C7C 111.5(9) . . ?
C30C C29C H19 109.3 . . ?
C7C C29C H19 109.3 . . ?
C30C C29C H20 109.3 . . ?
C7C C29C H20 109.3 . . ?
H19 C29C H20 108.0 . . ?
C32D C33D C34D 112.7(10) . . ?
C32D C33D H33C 109.1 . . ?
C34D C33D H33C 109.1 . . ?
C32D C33D H33D 109.1 . . ?
C34D C33D H33D 109.1 . . ?
H33C C33D H33D 107.8 . . ?
C38F C39F C40F 116.2(12) . . ?
C38F C39F H39C 108.2 . . ?
C40F C39F H39C 108.2 . . ?
C38F C39F H39D 108.2 . . ?
C40F C39F H39D 108.2 . . ?
H39C C39F H39D 107.4 . . ?
C31A C30A C29A 107.4(11) . . ?
C31A C30A H30C 110.2 . . ?
C29A C30A H30C 110.2 . . ?
C31A C30A H30D 110.2 . . ?
C29A C30A H30D 110.2 . . ?
H30C C30A H30D 108.5 . . ?
C33C C32C C14C 110.3(9) . . ?
C33C C32C H21 109.6 . . ?
C14C C32C H21 109.6 . . ?
C33C C32C H22 109.6 . . ?
C14C C32C H22 109.6 . . ?
H21 C32C H22 108.1 . . ?
C39D C40D H40A 109.5 . . ?
C39D C40D H40B 109.5 . . ?
H40A C40D H40B 109.5 . . ?
C39D C40D H40C 109.5 . . ?
H40A C40D H40C 109.5 . . ?
H40B C40D H40C 109.5 . . ?
N1P C2P C3P 123.1(10) . . ?
N1P C2P H2P 118.4 . . ?
C3P C2P H2P 118.4 . . ?
C2P N1P C6P 118.0(10) . . ?
C31E C30E C29E 110.9(11) . . ?
C31E C30E H30E 109.5 . . ?
C29E C30E H30E 109.5 . . ?
C31E C30E H30F 109.5 . . ?
C29E C30E H30F 109.5 . . ?
H30E C30E H30F 108.1 . . ?
C29D C30D C31D 110.0(11) . . ?
C29D C30D H30G 109.7 . . ?
C31D C30D H30G 109.7 . . ?
C29D C30D H30H 109.7 . . ?
C31D C30D H30H 109.7 . . ?
H30G C30D H30H 108.2 . . ?
C35B C36B C37B 106.0(15) . . ?
C35B C36B H36C 110.5 . . ?
C37B C36B H36C 110.5 . . ?
C35B C36B H36D 110.5 . . ?
C37B C36B H36D 110.5 . . ?
H36C C36B H36D 108.7 . . ?
C38C C39C C40C 113.8(16) . . ?
C38C C39C H23 108.8 . . ?
C40C C39C H23 108.8 . . ?
C38C C39C H24 108.8 . . ?
C40C C39C H24 108.8 . . ?
H23 C39C H24 107.7 . . ?
C40B C39B C38B 112.9(13) . . ?
C40B C39B H25 109.0 . . ?
C38B C39B H25 109.0 . . ?
C40B C39B H26 109.0 . . ?
C38B C39B H26 109.0 . . ?
H25 C39B H26 107.8 . . ?
C30A C31A H31G 109.5 . . ?
C30A C31A H31H 109.5 . . ?
H31G C31A H31H 109.5 . . ?
C30A C31A H31I 109.5 . . ?
H31G C31A H31I 109.5 . . ?
H31H C31A H31I 109.5 . . ?
C33B C34B H34A 109.5 . . ?
C33B C34B H34B 109.5 . . ?
H34A C34B H34B 109.5 . . ?
C33B C34B H34C 109.5 . . ?
H34A C34B H34C 109.5 . . ?
H34B C34B H34C 109.5 . . ?
C34F C33F C32F 115.9(14) . . ?
C34F C33F H33E 108.3 . . ?
C32F C33F H33E 108.3 . . ?
C34F C33F H33F 108.3 . . ?
C32F C33F H33F 108.3 . . ?
H33E C33F H33F 107.4 . . ?
C32A C33A C34A 107.6(10) . . ?
C32A C33A H27 110.2 . . ?
C34A C33A H27 110.2 . . ?
C32A C33A H28 110.2 . . ?
C34A C33A H28 110.2 . . ?
H27 C33A H28 108.5 . . ?
C35E C36E C37E 109.1(11) . . ?
C35E C36E H36E 109.9 . . ?
C37E C36E H36E 109.9 . . ?
C35E C36E H36F 109.9 . . ?
C37E C36E H36F 109.9 . . ?
H36E C36E H36F 108.3 . . ?
C40A C39A C38A 115.5(14) . . ?
C40A C39A H39E 108.4 . . ?
C38A C39A H39E 108.4 . . ?
C40A C39A H39F 108.4 . . ?
C38A C39A H39F 108.4 . . ?
H39E C39A H39F 107.5 . . ?
C33A C34A H34D 109.5 . . ?
C33A C34A H34E 109.5 . . ?
H34D C34A H34E 109.5 . . ?
C33A C34A H34F 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C9P C8P N2P 123.4(19) . . ?
C9P C8P H8P 118.3 . . ?
N2P C8P H8P 118.3 . . ?
C39F C40F H40D 109.5 . . ?
C39F C40F H40E 109.5 . . ?
H40D C40F H40E 109.5 . . ?
C39F C40F H40F 109.5 . . ?
H40D C40F H40F 109.5 . . ?
H40E C40F H40F 109.5 . . ?
C2P C3P C4P 118.6(10) . . ?
C2P C3P H3P 120.7 . . ?
C4P C3P H3P 120.7 . . ?
C12P N2P C8P 114(2) . . ?
C33D C34D H34G 109.5 . . ?
C33D C34D H34H 109.5 . . ?
H34G C34D H34H 109.5 . . ?
C33D C34D H34I 109.5 . . ?
H34G C34D H34I 109.5 . . ?
H34H C34D H34I 109.5 . . ?
C36A C37A H37A 109.5 . . ?
C36A C37A H37B 109.5 . . ?
H37A C37A H37B 109.5 . . ?
C36A C37A H37C 109.5 . . ?
H37A C37A H37C 109.5 . . ?
H37B C37A H37C 109.5 . . ?
C31C C30C C29C 114.9(12) . . ?
C31C C30C H29 108.5 . . ?
C29C C30C H29 108.5 . . ?
C31C C30C H30 108.5 . . ?
C29C C30C H30 108.5 . . ?
H29 C30C H30 107.5 . . ?
C35D C36D C37D 107.2(10) . . ?
C35D C36D H36G 110.3 . . ?
C37D C36D H36G 110.3 . . ?
C35D C36D H36H 110.3 . . ?
C37D C36D H36H 110.3 . . ?
H36G C36D H36H 108.5 . . ?
C8P C9P C10P 123(2) . . ?
C8P C9P H9P 118.3 . . ?
C10P C9P H9P 118.3 . . ?
N1P C6P C5P 119.9(11) . . ?
N1P C6P H6P 120.0 . . ?
C5P C6P H6P 120.0 . . ?
C5P C4P C3P 118.1(10) . . ?
C5P C4P H4P 121.0 . . ?
C3P C4P H4P 121.0 . . ?
C6P C5P C4P 121.3(11) . . ?
C6P C5P H5P 119.4 . . ?
C4P C5P H5P 119.4 . . ?
C37F C36F C35F 110(2) . . ?
C37F C36F H36I 109.7 . . ?
C35F C36F H36I 109.7 . . ?
C37F C36F H36J 109.7 . . ?
C35F C36F H36J 109.7 . . ?
H36I C36F H36J 108.2 . . ?
C39C C40C H40G 109.5 . . ?
C39C C40C H40H 109.5 . . ?
H40G C40C H40H 109.5 . . ?
C39C C40C H40I 109.5 . . ?
H40G C40C H40I 109.5 . . ?
H40H C40C H40I 109.5 . . ?
C36E C37E H37D 109.5 . . ?
C36E C37E H37E 109.5 . . ?
H37D C37E H37E 109.5 . . ?
C36E C37E H37F 109.5 . . ?
H37D C37E H37F 109.5 . . ?
H37E C37E H37F 109.5 . . ?
C38E C39E C40E 104.4(10) . . ?
C38E C39E H39G 110.9 . . ?
C40E C39E H39G 110.9 . . ?
C38E C39E H39H 110.9 . . ?
C40E C39E H39H 110.9 . . ?
H39G C39E H39H 108.9 . . ?
C39B C40B H40J 109.5 . . ?
C39B C40B H40K 109.5 . . ?
H40J C40B H40K 109.5 . . ?
C39B C40B H40L 109.5 . . ?
H40J C40B H40L 109.5 . . ?
H40K C40B H40L 109.5 . . ?
C33F C34F H34J 109.5 . . ?
C33F C34F H34K 109.5 . . ?
H34J C34F H34K 109.5 . . ?
C33F C34F H34L 109.5 . . ?
H34J C34F H34L 109.5 . . ?
H34K C34F H34L 109.5 . . ?
C32C C33C C34C 108.8(12) . . ?
C32C C33C H31 109.9 . . ?
C34C C33C H31 109.9 . . ?
C32C C33C H32 109.9 . . ?
C34C C33C H32 109.9 . . ?
H31 C33C H32 108.3 . . ?
C30D C31D H31J 109.5 . . ?
C30D C31D H31K 109.5 . . ?
H31J C31D H31K 109.5 . . ?
C30D C31D H31L 109.5 . . ?
H31J C31D H31L 109.5 . . ?
H31K C31D H31L 109.5 . . ?
C36B C37B H37G 109.5 . . ?
C36B C37B H37H 109.5 . . ?
H37G C37B H37H 109.5 . . ?
C36B C37B H37I 109.5 . . ?
H37G C37B H37I 109.5 . . ?
H37H C37B H37I 109.5 . . ?
C37C C36C C35C 111.1(12) . . ?
C37C C36C H33 109.4 . . ?
C35C C36C H33 109.4 . . ?
C37C C36C H34 109.4 . . ?
C35C C36C H34 109.4 . . ?
H33 C36C H34 108.0 . . ?
C36D C37D H37J 109.5 . . ?
C36D C37D H37K 109.5 . . ?
H37J C37D H37K 109.5 . . ?
C36D C37D H37L 109.5 . . ?
H37J C37D H37L 109.5 . . ?
H37K C37D H37L 109.5 . . ?
C39A C40A H40M 109.5 . . ?
C39A C40A H40N 109.5 . . ?
H40M C40A H40N 109.5 . . ?
C39A C40A H40O 109.5 . . ?
H40M C40A H40O 109.5 . . ?
H40N C40A H40O 109.5 . . ?
C33C C34C H34M 109.5 . . ?
C33C C34C H34N 109.5 . . ?
H34M C34C H34N 109.5 . . ?
C33C C34C H34O 109.5 . . ?
H34M C34C H34O 109.5 . . ?
H34N C34C H34O 109.5 . . ?
C39E C40E H40P 109.5 . . ?
C39E C40E H40Q 109.5 . . ?
H40P C40E H40Q 109.5 . . ?
C39E C40E H40R 109.5 . . ?
H40P C40E H40R 109.5 . . ?
H40Q C40E H40R 109.5 . . ?
C30E C31E H31M 109.5 . . ?
C30E C31E H31N 109.5 . . ?
H31M C31E H31N 109.5 . . ?
C30E C31E H31O 109.5 . . ?
H31M C31E H31O 109.5 . . ?
H31N C31E H31O 109.5 . . ?
C30C C31C H31P 109.5 . . ?
C30C C31C H31Q 109.5 . . ?
H31P C31C H31Q 109.5 . . ?
C30C C31C H31R 109.5 . . ?
H31P C31C H31R 109.5 . . ?
H31Q C31C H31R 109.5 . . ?
C36F C37F H37M 109.5 . . ?
C36F C37F H37N 109.5 . . ?
H37M C37F H37N 109.5 . . ?
C36F C37F H37O 109.5 . . ?
H37M C37F H37O 109.5 . . ?
H37N C37F H37O 109.5 . . ?
N2P C12P C11P 125(3) . . ?
N2P C12P H12P 117.5 . . ?
C11P C12P H12P 117.5 . . ?
C36C C37C H37P 109.5 . . ?
C36C C37C H37Q 109.5 . . ?
H37P C37C H37Q 109.5 . . ?
C36C C37C H37R 109.5 . . ?
H37P C37C H37R 109.5 . . ?
H37Q C37C H37R 109.5 . . ?
C11P C10P C9P 114(2) . . ?
C11P C10P H10P 123.0 . . ?
C9P C10P H10P 123.0 . . ?
C10P C11P C12P 120(3) . . ?
C10P C11P H11P 120.0 . . ?
C12P C11P H11P 120.0 . . ?
C33E C34E H34P 109.5 . . ?
C33E C34E H34Q 109.5 . . ?
H34P C34E H34Q 109.5 . . ?
C33E C34E H34R 109.5 . . ?
H34P C34E H34R 109.5 . . ?
H34Q C34E H34R 109.5 . . ?
C32E C33E C34E 106.9(11) . . ?
C32E C33E H33G 110.3 . . ?
C34E C33E H33G 110.3 . . ?
C32E C33E H33H 110.3 . . ?
C34E C33E H33H 110.3 . . ?
H33G C33E H33H 108.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Mg11 O6C C12C C13C -174.1(8) . . . . ?
Mg11 O6C C12C C11C -3.4(10) . . . . ?
C6F C1F C2F C3F 1.0(12) . . . . ?
C6F C1F C2F C28F 177.3(7) . . . . ?
Mg10 O12B C26B C27B -173.5(7) . . . . ?
Mg10 O12B C26B C25B 0.9(10) . . . . ?
C1B C6B C7B C29B -35.5(11) . . . . ?
C5B C6B C7B C29B 149.3(8) . . . . ?
C1B C6B C7B C9B 89.9(9) . . . . ?
C5B C6B C7B C9B -85.3(9) . . . . ?
C29B C7B C9B C10B -144.9(8) . . . . ?
C6B C7B C9B C10B 90.6(9) . . . . ?
C29B C7B C9B C8B 35.4(11) . . . . ?
C6B C7B C9B C8B -89.2(9) . . . . ?
C2F C1F C6F C5F -0.1(12) . . . . ?
C2F C1F C6F C7F -176.6(7) . . . . ?
C10F C9F C8F C13F -0.5(12) . . . . ?
C7F C9F C8F C13F 176.7(7) . . . . ?
C23D C22D C27D C26D -4.3(13) . . . . ?
C23D C22D C27D C28D -178.9(8) . . . . ?
C17F C16F C15F C20F 0.5(12) . . . . ?
C14F C16F C15F C20F 177.2(7) . . . . ?
C19F C20F C15F C16F -2.1(12) . . . . ?
C21F C20F C15F C16F -177.4(7) . . . . ?
C1F C6F C5F O3F -176.5(8) . . . . ?
C7F C6F C5F O3F 0.0(13) . . . . ?
C1F C6F C5F C4F -0.1(13) . . . . ?
C7F C6F C5F C4F 176.4(8) . . . . ?
C1F C6F C5F Mg15 175(2) . . . . ?
C7F C6F C5F Mg15 -9(3) . . . . ?
Mg15 O3F C5F C6F -176.9(7) . . . . ?
Mg15 O3F C5F C4F 6.5(9) . . . . ?
Mg7 O12A C26A C27A -172.6(7) . . . . ?
Mg7 O12A C26A C25A 6.8(9) . . . . ?
C24B C23B C22B C27B 1.0(13) . . . . ?
C21B C23B C22B C27B 178.4(8) . . . . ?
C12B C13B C8B C9B 1.7(13) . . . . ?
C14B C13B C8B C9B -178.1(7) . . . . ?
C10B C9B C8B C13B -0.6(12) . . . . ?
C7B C9B C8B C13B 179.2(7) . . . . ?
C22F C27F C28F C38F -36.4(11) . . . . ?
C26F C27F C28F C38F 145.7(8) . . . . ?
C22F C27F C28F C2F 91.3(9) . . . . ?
C26F C27F C28F C2F -86.6(9) . . . . ?
C1F C2F C28F C27F -89.5(9) . . . . ?
C3F C2F C28F C27F 86.8(9) . . . . ?
C1F C2F C28F C38F 40.0(11) . . . . ?
C3F C2F C28F C38F -143.7(8) . . . . ?
Mg19 O12D C26D C25D 0.7(9) . . . . ?
Mg19 O12D C26D C27D -176.5(7) . . . . ?
C22D C27D C26D O12D -176.8(8) . . . . ?
C28D C27D C26D O12D -2.0(13) . . . . ?
C22D C27D C26D C25D 6.1(12) . . . . ?
C28D C27D C26D C25D -179.1(8) . . . . ?
C22D C27D C26D Mg19 173(2) . . . . ?
C28D C27D C26D Mg19 -12(3) . . . . ?
C5F C6F C7F C29F 144.4(8) . . . . ?
C1F C6F C7F C29F -39.3(11) . . . . ?
C5F C6F C7F C9F -87.0(9) . . . . ?
C1F C6F C7F C9F 89.3(9) . . . . ?
C8F C9F C7F C6F -91.7(9) . . . . ?
C10F C9F C7F C6F 85.5(9) . . . . ?
C8F C9F C7F C29F 37.9(11) . . . . ?
C10F C9F C7F C29F -144.8(8) . . . . ?
Mg22 O4F C10F C11F -7.7(9) . . . . ?
Mg22 O4F C10F C9F 173.3(7) . . . . ?
C8F C9F C10F O4F 178.6(8) . . . . ?
C7F C9F C10F O4F 1.2(12) . . . . ?
C8F C9F C10F C11F -0.5(12) . . . . ?
C7F C9F C10F C11F -177.8(7) . . . . ?
C8F C9F C10F Mg22 -163(2) . . . . ?
C7F C9F C10F Mg22 19(3) . . . . ?
Mg22 O12E C26E C25E 4.1(9) . . . . ?
Mg22 O12E C26E C27E -178.5(7) . . . . ?
O12E C26E C27E C22E -178.0(8) . . . . ?
C25E C26E C27E C22E -0.8(13) . . . . ?
Mg22 C26E C27E C22E 178(2) . . . . ?
O12E C26E C27E C28E 0.3(13) . . . . ?
C25E C26E C27E C28E 177.5(8) . . . . ?
Mg22 C26E C27E C28E -3(3) . . . . ?
C8B C13B C12B C11B -1.2(13) . . . . ?
C14B C13B C12B C11B 178.5(8) . . . . ?
C8B C13B C12B O6B -176.7(8) . . . . ?
C14B C13B C12B O6B 3.1(13) . . . . ?
Mg8 O6B C12B C13B -179.9(7) . . . . ?
Mg8 O6B C12B C11B 4.4(9) . . . . ?
C19F C20F C21F C35F 144.7(8) . . . . ?
C15F C20F C21F C35F -40.0(10) . . . . ?
C19F C20F C21F C23F -86.3(9) . . . . ?
C15F C20F C21F C23F 89.0(9) . . . . ?
C22F C23F C21F C35F 37.1(11) . . . . ?
C24F C23F C21F C35F -145.6(8) . . . . ?
C22F C23F C21F C20F -92.5(9) . . . . ?
C24F C23F C21F C20F 84.8(9) . . . . ?
C15F C20F C19F O9F -179.6(7) . . . . ?
C21F C20F C19F O9F -4.3(12) . . . . ?
C15F C20F C19F C18F 4.5(12) . . . . ?
C21F C20F C19F C18F 179.8(7) . . . . ?
C15F C20F C19F Mg21 166(2) . . . . ?
C21F C20F C19F Mg21 -19(3) . . . . ?
Mg21 O9F C19F C20F -175.0(7) . . . . ?
Mg21 O9F C19F C18F 1.0(9) . . . . ?
C9F C8F C13F C12F -0.8(12) . . . . ?
C9F C8F C13F C14F -179.5(8) . . . . ?
C23D C21D C20D C19D -83.9(10) . . . . ?
C35D C21D C20D C19D 144.1(8) . . . . ?
C23D C21D C20D C15D 92.8(10) . . . . ?
C35D C21D C20D C15D -39.3(12) . . . . ?
Mg2 O1A C3A C2A 178.0(7) . . . . ?
Mg2 O1A C3A C4A -4.7(9) . . . . ?
Mg2 O2A C4A C5A 179.0(7) . . . . ?
Mg1 O2A C4A C5A 2.7(10) . . . . ?
Mg2 O2A C4A C3A -2.3(10) . . . . ?
Mg1 O2A C4A C3A -178.6(6) . . . . ?
Mg2 O2A C4A Mg1 176.3(7) . . . . ?
Mg1 O2A C4A Mg2 -176.3(7) . . . . ?
O1A C3A C4A O2A 4.9(12) . . . . ?
C2A C3A C4A O2A -177.8(8) . . . . ?
Mg2 C3A C4A O2A 1.6(7) . . . . ?
O1A C3A C4A C5A -176.4(8) . . . . ?
C2A C3A C4A C5A 0.9(13) . . . . ?
Mg2 C3A C4A C5A -179.7(8) . . . . ?
O1A C3A C4A Mg1 2(3) . . . . ?
C2A C3A C4A Mg1 178.9(17) . . . . ?
Mg2 C3A C4A Mg1 -2(2) . . . . ?
O1A C3A C4A Mg2 3.4(6) . . . . ?
C2A C3A C4A Mg2 -179.4(8) . . . . ?
O12A C26A C27A C22A -176.2(8) . . . . ?
C25A C26A C27A C22A 4.3(12) . . . . ?
Mg7 C26A C27A C22A 163(2) . . . . ?
O12A C26A C27A C28A -1.6(13) . . . . ?
C25A C26A C27A C28A 178.9(8) . . . . ?
Mg7 C26A C27A C28A -23(3) . . . . ?
C22D C27D C28D C2D 88.0(10) . . . . ?
C26D C27D C28D C2D -86.5(10) . . . . ?
C22D C27D C28D C38D -39.5(12) . . . . ?
C26D C27D C28D C38D 146.0(9) . . . . ?
C1F C2F C3F C4F -1.6(13) . . . . ?
C28F C2F C3F C4F -178.0(8) . . . . ?
C1F C2F C3F O1F 179.0(8) . . . . ?
C28F C2F C3F O1F 2.6(13) . . . . ?
Mg13 O1F C3F C2F 176.1(7) . . . . ?
Mg13 O1F C3F C4F -3.4(9) . . . . ?
C22B C23B C24B O10B 177.3(8) . . . . ?
C21B C23B C24B O10B 0.0(14) . . . . ?
C22B C23B C24B C25B -2.4(14) . . . . ?
C21B C23B C24B C25B -179.7(9) . . . . ?
C22B C23B C24B Mg12 -178(2) . . . 2_565 ?
C21B C23B C24B Mg12 5(3) . . . 2_565 ?
Mg12 O10B C24B C23B 178.2(7) 2_565 . . . ?
Mg12 O10B C24B C25B -2.1(10) 2_565 . . . ?
Mg11 O9A C19A C18A 5.2(10) 2_565 . . . ?
Mg11 O9A C19A C20A -172.7(7) 2_565 . . . ?
Mg24 O10E C24E C23E 177.3(7) 2_676 . . . ?
Mg24 O10E C24E C25E -1.3(9) 2_676 . . . ?
Mg21 O6E C12E C11E 4.1(9) 2_676 . . . ?
Mg21 O6E C12E C13E -174.2(7) 2_676 . . . ?
C8E C13E C12E O6E -175.5(8) . . . . ?
C14E C13E C12E O6E -1.4(13) . . . . ?
C8E C13E C12E C11E 6.2(13) . . . . ?
C14E C13E C12E C11E -179.6(8) . . . . ?
C8E C13E C12E Mg21 168(2) . . . 2_676 ?
C14E C13E C12E Mg21 -18(3) . . . 2_676 ?
Mg19 O4E C10E C11E -4.7(9) . . . . ?
Mg19 O4E C10E C9E 174.4(7) . . . . ?
O12B C26B C27B C22B -179.3(8) . . . . ?
C25B C26B C27B C22B 6.5(13) . . . . ?
Mg10 C26B C27B C22B 164(2) . . . . ?
O12B C26B C27B C28B -5.0(13) . . . . ?
C25B C26B C27B C28B -179.1(8) . . . . ?
Mg10 C26B C27B C28B -22(3) . . . . ?
C23B C22B C27B C26B -3.1(13) . . . . ?
C23B C22B C27B C28B -177.3(8) . . . . ?
C38B C28B C27B C26B 145.2(9) . . . . ?
C2B C28B C27B C26B -85.4(10) . . . . ?
C38B C28B C27B C22B -40.6(12) . . . . ?
C2B C28B C27B C22B 88.7(10) . . . . ?
Mg3 O1B C3B C2B 174.4(7) . . . . ?
Mg3 O1B C3B C4B -2.2(9) . . . . ?
C19D C20D C15D C16D -0.8(14) . . . . ?
C21D C20D C15D C16D -177.5(8) . . . . ?
C27D C22D C23D C24D 3.8(13) . . . . ?
C27D C22D C23D C21D 177.3(8) . . . . ?
C20D C21D C23D C24D 87.6(10) . . . . ?
C35D C21D C23D C24D -141.4(8) . . . . ?
C20D C21D C23D C22D -85.7(10) . . . . ?
C35D C21D C23D C22D 45.3(11) . . . . ?
C24F C23F C22F C27F 0.6(13) . . . . ?
C21F C23F C22F C27F 177.9(8) . . . . ?
C26F C27F C22F C23F -0.7(13) . . . . ?
C28F C27F C22F C23F -178.6(8) . . . . ?
C26E C27E C22E C23E 1.0(14) . . . . ?
C28E C27E C22E C23E -177.4(8) . . . . ?
O1B C3B C2B C1B -178.3(8) . . . . ?
C4B C3B C2B C1B -2.0(13) . . . . ?
Mg3 C3B C2B C1B -164(2) . . . . ?
O1B C3B C2B C28B 1.2(13) . . . . ?
C4B C3B C2B C28B 177.5(8) . . . . ?
Mg3 C3B C2B C28B 15(3) . . . . ?
C27B C28B C2B C3B 84.9(10) . . . . ?
C38B C28B C2B C3B -144.9(9) . . . . ?
C27B C28B C2B C1B -95.6(9) . . . . ?
C38B C28B C2B C1B 34.6(11) . . . . ?
C12F C13F C14F C32F 144.7(8) . . . . ?
C8F C13F C14F C32F -36.7(11) . . . . ?
C12F C13F C14F C16F -85.8(9) . . . . ?
C8F C13F C14F C16F 92.8(9) . . . . ?
C17F C16F C14F C13F 88.1(9) . . . . ?
C15F C16F C14F C13F -88.6(9) . . . . ?
C17F C16F C14F C32F -141.6(8) . . . . ?
C15F C16F C14F C32F 41.7(11) . . . . ?
C8B C9B C10B O4B 177.8(7) . . . . ?
C7B C9B C10B O4B -1.9(12) . . . . ?
C8B C9B C10B C11B -1.1(12) . . . . ?
C7B C9B C10B C11B 179.1(7) . . . . ?
C8B C9B C10B Mg7 -176(2) . . . . ?
C7B C9B C10B Mg7 4(3) . . . . ?
Mg7 O4B C10B C9B 177.8(7) . . . . ?
Mg7 O4B C10B C11B -3.3(9) . . . . ?
C22A C27A C28A C2A 89.2(10) . . . . ?
C26A C27A C28A C2A -85.1(10) . . . . ?
C22A C27A C28A C38A -38.2(12) . . . . ?
C26A C27A C28A C38A 147.5(9) . . . . ?
Mg20 O7F C17F C16F 175.2(7) 2_676 . . . ?
Mg20 O7F C17F C18F -6.3(9) 2_676 . . . ?
C15F C16F C17F O7F 177.0(8) . . . . ?
C14F C16F C17F O7F 0.2(12) . . . . ?
C15F C16F C17F C18F -1.5(12) . . . . ?
C14F C16F C17F C18F -178.2(7) . . . . ?
C15F C16F C17F Mg20 -169(2) . . . 2_676 ?
C14F C16F C17F Mg20 15(3) . . . 2_676 ?
C12E C13E C8E C9E -6.3(14) . . . . ?
C14E C13E C8E C9E 179.8(8) . . . . ?
Mg21 O5E C11E C12E 1.5(11) 2_676 . . . ?
Mg19 O5E C11E C12E 179.6(7) . . . . ?
Mg21 O5E C11E C10E -178.8(7) 2_676 . . . ?
Mg19 O5E C11E C10E -0.7(11) . . . . ?
Mg19 O5E C11E Mg21 178.1(8) . . . 2_676 ?
Mg21 O5E C11E Mg19 -178.1(8) 2_676 . . . ?
O6E C12E C11E O5E -4.0(13) . . . . ?
C13E C12E C11E O5E 174.4(8) . . . . ?
Mg21 C12E C11E O5E -1.0(8) 2_676 . . . ?
O6E C12E C11E C10E 176.3(7) . . . . ?
C13E C12E C11E C10E -5.3(13) . . . . ?
Mg21 C12E C11E C10E 179.2(8) 2_676 . . . ?
O6E C12E C11E Mg21 -2.9(7) . . . 2_676 ?
C13E C12E C11E Mg21 175.5(8) . . . 2_676 ?
O6E C12E C11E Mg19 -3(3) . . . . ?
C13E C12E C11E Mg19 175(2) . . . . ?
Mg21 C12E C11E Mg19 0(2) 2_676 . . . ?
O4E C10E C11E O5E 3.9(13) . . . . ?
C9E C10E C11E O5E -175.3(8) . . . . ?
Mg19 C10E C11E O5E 0.5(8) . . . . ?
O4E C10E C11E C12E -176.4(8) . . . . ?
C9E C10E C11E C12E 4.4(13) . . . . ?
Mg19 C10E C11E C12E -179.8(8) . . . . ?
O4E C10E C11E Mg21 1(3) . . . 2_676 ?
C9E C10E C11E Mg21 -178.3(19) . . . 2_676 ?
Mg19 C10E C11E Mg21 -3(2) . . . 2_676 ?
O4E C10E C11E Mg19 3.4(7) . . . . ?
C9E C10E C11E Mg19 -175.8(8) . . . . ?
Mg4 O4A C10A C9A 172.5(7) . . . . ?
Mg4 O4A C10A C11A -5.0(9) . . . . ?
C20F C21F C35F C36F -170.6(12) . . . . ?
C23F C21F C35F C36F 62.0(14) . . . . ?
Mg23 O9D C19D C20D -170.6(7) . . . . ?
Mg23 O9D C19D C18D 8.9(9) . . . . ?
C15D C20D C19D O9D -178.2(8) . . . . ?
C21D C20D C19D O9D -1.4(13) . . . . ?
C15D C20D C19D C18D 2.3(13) . . . . ?
C21D C20D C19D C18D 179.1(8) . . . . ?
C15D C20D C19D Mg23 156(2) . . . . ?
C21D C20D C19D Mg23 -27(3) . . . . ?
C8D C13D C14D C16D 88.1(10) . . . . ?
C12D C13D C14D C16D -86.9(10) . . . . ?
C8D C13D C14D C32D -41.6(12) . . . . ?
C12D C13D C14D C32D 143.4(8) . . . . ?
Mg16 O4D C10D C9D 179.1(7) . . . . ?
Mg16 O4D C10D C11D 0.0(10) . . . . ?
Mg2 O3B C5B C4B 6.4(9) . . . . ?
Mg2 O3B C5B C6B -171.2(7) . . . . ?
C1B C6B C5B O3B -179.7(7) . . . . ?
C7B C6B C5B O3B -4.2(12) . . . . ?
C1B C6B C5B C4B 2.7(12) . . . . ?
C7B C6B C5B C4B 178.2(7) . . . . ?
C1B C6B C5B Mg2 157.1(19) . . . . ?
C7B C6B C5B Mg2 -27(3) . . . . ?
Mg12 O11B C25B C24B 1.8(11) 2_565 . . . ?
Mg10 O11B C25B C24B -179.7(7) . . . . ?
Mg12 O11B C25B C26B 175.9(7) 2_565 . . . ?
Mg10 O11B C25B C26B -5.6(11) . . . . ?
Mg10 O11B C25B Mg12 178.6(7) . . . 2_565 ?
Mg12 O11B C25B Mg10 -178.6(7) 2_565 . . . ?
C23B C24B C25B O11B 179.9(9) . . . . ?
O10B C24B C25B O11B 0.2(13) . . . . ?
Mg12 C24B C25B O11B -1.2(8) 2_565 . . . ?
C23B C24B C25B C26B 5.8(14) . . . . ?
O10B C24B C25B C26B -174.0(8) . . . . ?
Mg12 C24B C25B C26B -175.4(9) 2_565 . . . ?
C23B C24B C25B Mg12 -178.8(9) . . . 2_565 ?
O10B C24B C25B Mg12 1.4(7) . . . 2_565 ?
C23B C24B C25B Mg10 179(2) . . . . ?
O10B C24B C25B Mg10 -1(3) . . . . ?
Mg12 C24B C25B Mg10 -2(2) 2_565 . . . ?
O12B C26B C25B O11B 3.3(13) . . . . ?
C27B C26B C25B O11B 177.9(8) . . . . ?
Mg10 C26B C25B O11B 4.0(8) . . . . ?
O12B C26B C25B C24B 177.5(8) . . . . ?
C27B C26B C25B C24B -7.9(14) . . . . ?
Mg10 C26B C25B C24B 178.1(9) . . . . ?
O12B C26B C25B Mg12 13(3) . . . 2_565 ?
C27B C26B C25B Mg12 -172.5(18) . . . 2_565 ?
Mg10 C26B C25B Mg12 14(2) . . . 2_565 ?
O12B C26B C25B Mg10 -0.6(7) . . . . ?
C27B C26B C25B Mg10 174.0(8) . . . . ?
Mg15 O1E C3E C2E 174.5(7) . . . . ?
Mg15 O1E C3E C4E -8.3(10) . . . . ?
Mg19 O11D C25D C26D -1.2(10) . . . . ?
Mg20 O11D C25D C26D 175.5(7) . . . . ?
Mg19 O11D C25D C24D -176.0(6) . . . . ?
Mg20 O11D C25D C24D 0.7(10) . . . . ?
Mg20 O11D C25D Mg19 176.7(7) . . . . ?
Mg19 O11D C25D Mg20 -176.7(7) . . . . ?
O12D C26D C25D O11D 0.3(12) . . . . ?
C27D C26D C25D O11D 177.7(8) . . . . ?
Mg19 C26D C25D O11D 0.8(7) . . . . ?
O12D C26D C25D C24D 175.1(7) . . . . ?
C27D C26D C25D C24D -7.5(13) . . . . ?
Mg19 C26D C25D C24D 175.6(8) . . . . ?
O12D C26D C25D Mg19 -0.5(6) . . . . ?
C27D C26D C25D Mg19 176.8(8) . . . . ?
O12D C26D C25D Mg20 11(3) . . . . ?
C27D C26D C25D Mg20 -171.6(17) . . . . ?
Mg19 C26D C25D Mg20 12(2) . . . . ?
Mg21 O8F C18F C17F -177.9(7) . . . . ?
Mg20 O8F C18F C17F -3.1(10) 2_676 . . . ?
Mg21 O8F C18F C19F 3.4(10) . . . . ?
Mg20 O8F C18F C19F 178.2(6) 2_676 . . . ?
Mg21 O8F C18F Mg20 -174.8(8) . . . 2_676 ?
Mg20 O8F C18F Mg21 174.8(8) 2_676 . . . ?
O7F C17F C18F O8F 6.7(13) . . . . ?
C16F C17F C18F O8F -174.7(8) . . . . ?
Mg20 C17F C18F O8F 2.2(8) 2_676 . . . ?
O7F C17F C18F C19F -174.6(7) . . . . ?
C16F C17F C18F C19F 4.0(13) . . . . ?
Mg20 C17F C18F C19F -179.1(8) 2_676 . . . ?
O7F C17F C18F Mg20 4.5(6) . . . 2_676 ?
C16F C17F C18F Mg20 -176.9(8) . . . 2_676 ?
O7F C17F C18F Mg21 2(3) . . . . ?
C16F C17F C18F Mg21 -179.4(17) . . . . ?
Mg20 C17F C18F Mg21 -2(2) 2_676 . . . ?
C20F C19F C18F O8F 173.2(8) . . . . ?
O9F C19F C18F O8F -3.0(12) . . . . ?
Mg21 C19F C18F O8F -2.3(7) . . . . ?
C20F C19F C18F C17F -5.5(13) . . . . ?
O9F C19F C18F C17F 178.3(7) . . . . ?
Mg21 C19F C18F C17F 179.0(8) . . . . ?
C20F C19F C18F Mg20 177.4(16) . . . 2_676 ?
O9F C19F C18F Mg20 1(2) . . . 2_676 ?
Mg21 C19F C18F Mg20 2(2) . . . 2_676 ?
C20F C19F C18F Mg21 175.5(8) . . . . ?
O9F C19F C18F Mg21 -0.7(6) . . . . ?
C5D C6D C1D C2D 1.2(13) . . . . ?
C7D C6D C1D C2D -177.2(8) . . . . ?
O1A C3A C2A C1A 176.8(8) . . . . ?
C4A C3A C2A C1A -0.3(12) . . . . ?
Mg2 C3A C2A C1A -178(2) . . . . ?
O1A C3A C2A C28A -1.1(13) . . . . ?
C4A C3A C2A C28A -178.3(8) . . . . ?
Mg2 C3A C2A C28A 4(3) . . . . ?
C6A C1A C2A C3A 1.4(13) . . . . ?
C6A C1A C2A C28A 179.3(8) . . . . ?
C38A C28A C2A C3A -146.9(8) . . . . ?
C27A C28A C2A C3A 88.3(10) . . . . ?
C38A C28A C2A C1A 35.3(12) . . . . ?
C27A C28A C2A C1A -89.6(10) . . . . ?
Mg14 O1D C3D C2D 172.8(7) . . . . ?
Mg14 O1D C3D C4D -3.7(10) . . . . ?
Mg17 O10F C24F C23F 174.3(7) . . . . ?
Mg17 O10F C24F C25F -7.7(9) . . . . ?
C22F C23F C24F O10F 177.5(8) . . . . ?
C21F C23F C24F O10F 0.0(12) . . . . ?
C22F C23F C24F C25F -0.4(12) . . . . ?
C21F C23F C24F C25F -177.8(7) . . . . ?
C22F C23F C24F Mg17 -167(2) . . . . ?
C21F C23F C24F Mg17 16(3) . . . . ?
Mg22 O11E C25E C26E 1.1(10) . . . . ?
Mg24 O11E C25E C26E 177.5(7) 2_676 . . . ?
Mg22 O11E C25E C24E -178.2(6) . . . . ?
Mg24 O11E C25E C24E -1.8(10) 2_676 . . . ?
Mg24 O11E C25E Mg22 176.4(7) 2_676 . . . ?
Mg22 O11E C25E Mg24 -176.4(7) . . . 2_676 ?
O12E C26E C25E O11E -3.7(12) . . . . ?
C27E C26E C25E O11E 179.0(8) . . . . ?
Mg22 C26E C25E O11E -0.8(7) . . . . ?
O12E C26E C25E C24E 175.6(8) . . . . ?
C27E C26E C25E C24E -1.7(14) . . . . ?
Mg22 C26E C25E C24E 178.5(8) . . . . ?
O12E C26E C25E Mg22 -2.9(7) . . . . ?
C27E C26E C25E Mg22 179.7(9) . . . . ?
O12E C26E C25E Mg24 2(3) . . . 2_676 ?
C27E C26E C25E Mg24 -175.4(17) . . . 2_676 ?
Mg22 C26E C25E Mg24 5(2) . . . 2_676 ?
O10E C24E C25E O11E 2.2(12) . . . . ?
C23E C24E C25E O11E -176.5(8) . . . . ?
Mg24 C24E C25E O11E 1.2(7) 2_676 . . . ?
O10E C24E C25E C26E -177.1(8) . . . . ?
C23E C24E C25E C26E 4.2(13) . . . . ?
Mg24 C24E C25E C26E -178.1(9) 2_676 . . . ?
O10E C24E C25E Mg22 -2(2) . . . . ?
C23E C24E C25E Mg22 179.8(15) . . . . ?
Mg24 C24E C25E Mg22 -2.5(18) 2_676 . . . ?
O10E C24E C25E Mg24 0.9(6) . . . 2_676 ?
C23E C24E C25E Mg24 -177.7(8) . . . 2_676 ?
Mg1 O3A C5A C4A 2.9(10) . . . . ?
Mg1 O3A C5A C6A -177.4(7) . . . . ?
O2A C4A C5A O3A -4.0(13) . . . . ?
C3A C4A C5A O3A 177.4(8) . . . . ?
Mg1 C4A C5A O3A -2.0(7) . . . . ?
Mg2 C4A C5A O3A -2(3) . . . . ?
O2A C4A C5A C6A 176.3(8) . . . . ?
C3A C4A C5A C6A -2.4(13) . . . . ?
Mg1 C4A C5A C6A 178.2(8) . . . . ?
Mg2 C4A C5A C6A 178.5(16) . . . . ?
O2A C4A C5A Mg1 -1.9(7) . . . . ?
C3A C4A C5A Mg1 179.4(8) . . . . ?
Mg2 C4A C5A Mg1 0(2) . . . . ?
C8D C13D C12D C11D 1.0(13) . . . . ?
C14D C13D C12D C11D 176.2(8) . . . . ?
C8D C13D C12D O6D -177.8(8) . . . . ?
C14D C13D C12D O6D -2.6(13) . . . . ?
C8D C13D C12D Mg18 173(2) . . . . ?
C14D C13D C12D Mg18 -12(3) . . . . ?
Mg18 O6D C12D C13D -176.5(7) . . . . ?
Mg18 O6D C12D C11D 4.6(9) . . . . ?
C24B C23B C21B C35B -144.3(9) . . . . ?
C22B C23B C21B C35B 38.4(12) . . . . ?
C24B C23B C21B C20B 88.2(10) . . . . ?
C22B C23B C21B C20B -89.1(9) . . . . ?
C20D C15D C16D C17D 0.7(14) . . . . ?
C20D C15D C16D C14D 178.4(8) . . . . ?
C13D C14D C16D C15D -93.2(10) . . . . ?
C32D C14D C16D C15D 34.8(13) . . . . ?
C13D C14D C16D C17D 84.5(10) . . . . ?
C32D C14D C16D C17D -147.5(9) . . . . ?
Mg17 O8E C18E C19E 178.5(6) 2_676 . . . ?
Mg18 O8E C18E C19E 2.0(10) 2_676 . . . ?
Mg17 O8E C18E C17E -4.3(10) 2_676 . . . ?
Mg18 O8E C18E C17E 179.2(6) 2_676 . . . ?
Mg18 O8E C18E Mg17 -176.5(7) 2_676 . . 2_676 ?
Mg17 O8E C18E Mg18 176.5(7) 2_676 . . 2_676 ?
Mg17 O7E C17E C16E 176.8(7) 2_676 . . . ?
Mg17 O7E C17E C18E -1.8(9) 2_676 . . . ?
O8E C18E C17E O7E 4.3(12) . . . . ?
C19E C18E C17E O7E -178.6(8) . . . . ?
Mg17 C18E C17E O7E 1.3(7) 2_676 . . . ?
Mg18 C18E C17E O7E 6(2) 2_676 . . . ?
O8E C18E C17E C16E -174.5(8) . . . . ?
C19E C18E C17E C16E 2.6(13) . . . . ?
Mg17 C18E C17E C16E -177.5(8) 2_676 . . . ?
Mg18 C18E C17E C16E -172.8(16) 2_676 . . . ?
O8E C18E C17E Mg17 3.0(7) . . . 2_676 ?
C19E C18E C17E Mg17 -179.9(9) . . . 2_676 ?
Mg18 C18E C17E Mg17 4.7(19) 2_676 . . 2_676 ?
O4D C10D C9D C8D 180.0(8) . . . . ?
C11D C10D C9D C8D -1.0(13) . . . . ?
Mg16 C10D C9D C8D -177(2) . . . . ?
O4D C10D C9D C7D 0.2(14) . . . . ?
C11D C10D C9D C7D 179.3(8) . . . . ?
Mg16 C10D C9D C7D 3(3) . . . . ?
Mg23 O6F C12F C13F -175.7(7) 2_676 . . . ?
Mg23 O6F C12F C11F 1.9(9) 2_676 . . . ?
C8F C13F C12F O6F -179.3(7) . . . . ?
C14F C13F C12F O6F -0.7(13) . . . . ?
C8F C13F C12F C11F 3.2(12) . . . . ?
C14F C13F C12F C11F -178.2(8) . . . . ?
C8F C13F C12F Mg23 169(2) . . . 2_676 ?
C14F C13F C12F Mg23 -12(3) . . . 2_676 ?
C6F C7F C29F C30F -62.9(10) . . . . ?
C9F C7F C29F C30F 169.8(7) . . . . ?
C19E C20E C15E C16E 2.4(13) . . . . ?
C21E C20E C15E C16E -176.9(8) . . . . ?
C27B C28B C38B C39B -63.3(13) . . . . ?
C2B C28B C38B C39B 168.4(10) . . . . ?
C10D C9D C7D C6D 88.4(10) . . . . ?
C8D C9D C7D C6D -91.4(9) . . . . ?
C10D C9D C7D C29D -144.2(9) . . . . ?
C8D C9D C7D C29D 36.1(12) . . . . ?
C5D C6D C7D C9D -85.0(10) . . . . ?
C1D C6D C7D C9D 93.4(9) . . . . ?
C5D C6D C7D C29D 146.7(9) . . . . ?
C1D C6D C7D C29D -35.0(12) . . . . ?
C13F C14F C32F C33F -167.7(9) . . . . ?
C16F C14F C32F C33F 63.9(11) . . . . ?
Mg10 O5C C11C C10C -0.2(11) . . . . ?
Mg11 O5C C11C C10C -176.0(7) . . . . ?
Mg10 O5C C11C C12C 173.5(6) . . . . ?
Mg11 O5C C11C C12C -2.3(10) . . . . ?
Mg10 O5C C11C Mg11 175.8(8) . . . . ?
Mg11 O5C C11C Mg10 -175.8(8) . . . . ?
O6C C12C C11C O5C 4.0(12) . . . . ?
C13C C12C C11C O5C 175.7(9) . . . . ?
Mg11 C12C C11C O5C 1.6(7) . . . . ?
O6C C12C C11C C10C 177.5(9) . . . . ?
C13C C12C C11C C10C -10.8(14) . . . . ?
Mg11 C12C C11C C10C 175.1(9) . . . . ?
O6C C12C C11C Mg11 2.4(7) . . . . ?
C13C C12C C11C Mg11 174.1(8) . . . . ?
O6C C12C C11C Mg10 17(2) . . . . ?
C13C C12C C11C Mg10 -171.4(16) . . . . ?
Mg11 C12C C11C Mg10 14.5(18) . . . . ?
Mg5 O9B C19B C18B 7.7(10) 2_565 . . . ?
Mg5 O9B C19B C20B -174.3(7) 2_565 . . . ?
C5B C6B C1B C2B -0.6(12) . . . . ?
C7B C6B C1B C2B -175.8(7) . . . . ?
C3B C2B C1B C6B 0.2(13) . . . . ?
C28B C2B C1B C6B -179.3(7) . . . . ?
Mg9 O10A C24A C23A 175.7(8) 2_565 . . . ?
Mg9 O10A C24A C25A -4.5(9) 2_565 . . . ?
C9B C7B C29B C30B 67.1(9) . . . . ?
C6B C7B C29B C30B -170.7(7) . . . . ?
C7F C29F C30F C31F -178.3(8) . . . . ?
C12A C13A C8A C9A -0.8(14) . . . . ?
C14A C13A C8A C9A -176.2(9) . . . . ?
C17B C16B C15B C20B -1.7(14) . . . . ?
C14B C16B C15B C20B -180.0(8) . . . . ?
C12D C13D C8D C9D 0.3(13) . . . . ?
C14D C13D C8D C9D -174.8(8) . . . . ?
C10D C9D C8D C13D -0.3(13) . . . . ?
C7D C9D C8D C13D 179.5(8) . . . . ?
Mg20 O10D C24D C23D 177.0(7) . . . . ?
Mg20 O10D C24D C25D -1.9(9) . . . . ?
C22D C23D C24D O10D 176.1(8) . . . . ?
C21D C23D C24D O10D 2.5(13) . . . . ?
C22D C23D C24D C25D -5.1(13) . . . . ?
C21D C23D C24D C25D -178.7(8) . . . . ?
C22D C23D C24D Mg20 -176(2) . . . . ?
C21D C23D C24D Mg20 10(3) . . . . ?
O11D C25D C24D O10D 0.8(12) . . . . ?
C26D C25D C24D O10D -174.1(8) . . . . ?
Mg19 C25D C24D O10D -8(2) . . . . ?
Mg20 C25D C24D O10D 1.3(6) . . . . ?
O11D C25D C24D C23D -178.0(8) . . . . ?
C26D C25D C24D C23D 7.1(13) . . . . ?
Mg19 C25D C24D C23D 173.1(15) . . . . ?
Mg20 C25D C24D C23D -177.5(8) . . . . ?
O11D C25D C24D Mg20 -0.5(7) . . . . ?
C26D C25D C24D Mg20 -175.4(8) . . . . ?
Mg19 C25D C24D Mg20 -9(2) . . . . ?
C13E C8E C9E C10E 5.3(14) . . . . ?
C13E C8E C9E C7E -179.7(8) . . . . ?
O4E C10E C9E C8E 176.7(8) . . . . ?
C11E C10E C9E C8E -4.2(13) . . . . ?
Mg19 C10E C9E C8E -169.3(18) . . . . ?
O4E C10E C9E C7E 1.5(13) . . . . ?
C11E C10E C9E C7E -179.4(8) . . . . ?
Mg19 C10E C9E C7E 15(3) . . . . ?
C27F C28F C38F C39F -169.2(9) . . . . ?
C2F C28F C38F C39F 63.0(11) . . . . ?
Mg15 O2F C4F C5F 2.2(10) . . . . ?
Mg13 O2F C4F C5F -178.7(7) . . . . ?
Mg15 O2F C4F C3F 179.8(7) . . . . ?
Mg13 O2F C4F C3F -1.1(11) . . . . ?
Mg13 O2F C4F Mg15 179.1(8) . . . . ?
Mg15 O2F C4F Mg13 -179.1(8) . . . . ?
C6F C5F C4F O2F 177.2(8) . . . . ?
O3F C5F C4F O2F -6.1(12) . . . . ?
Mg15 C5F C4F O2F -1.5(7) . . . . ?
C6F C5F C4F C3F -0.5(13) . . . . ?
O3F C5F C4F C3F 176.2(8) . . . . ?
Mg15 C5F C4F C3F -179.2(8) . . . . ?
C6F C5F C4F Mg15 178.7(8) . . . . ?
O3F C5F C4F Mg15 -4.6(6) . . . . ?
C6F C5F C4F Mg13 174.2(17) . . . . ?
O3F C5F C4F Mg13 -9(3) . . . . ?
Mg15 C5F C4F Mg13 -5(2) . . . . ?
C2F C3F C4F O2F -176.3(8) . . . . ?
O1F C3F C4F O2F 3.2(12) . . . . ?
C2F C3F C4F C5F 1.3(13) . . . . ?
O1F C3F C4F C5F -179.2(7) . . . . ?
C2F C3F C4F Mg15 -175.8(19) . . . . ?
O1F C3F C4F Mg15 4(3) . . . . ?
C2F C3F C4F Mg13 -177.1(8) . . . . ?
O1F C3F C4F Mg13 2.4(6) . . . . ?
O10E C24E C23E C22E 177.5(8) . . . . ?
C25E C24E C23E C22E -3.9(13) . . . . ?
Mg24 C24E C23E C22E -175.6(19) 2_676 . . . ?
O10E C24E C23E C21E 1.7(13) . . . . ?
C25E C24E C23E C21E -179.8(8) . . . . ?
Mg24 C24E C23E C21E 9(3) 2_676 . . . ?
C27E C22E C23E C24E 1.4(13) . . . . ?
C27E C22E C23E C21E 177.2(8) . . . . ?
C16A C15A C20A C19A -1.0(15) . . . . ?
C16A C15A C20A C21A -178.3(9) . . . . ?
C18A C19A C20A C15A 2.5(14) . . . . ?
O9A C19A C20A C15A -179.8(8) . . . . ?
C18A C19A C20A C21A 179.9(9) . . . . ?
O9A C19A C20A C21A -2.4(14) . . . . ?
Mg18 O5D C11D C12D -1.8(11) . . . . ?
Mg16 O5D C11D C12D 178.7(7) . . . . ?
Mg18 O5D C11D C10D 179.5(7) . . . . ?
Mg16 O5D C11D C10D 0.0(11) . . . . ?
Mg18 O5D C11D Mg16 179.5(8) . . . . ?
Mg16 O5D C11D Mg18 -179.5(8) . . . . ?
C13D C12D C11D O5D 179.1(8) . . . . ?
O6D C12D C11D O5D -2.0(12) . . . . ?
Mg18 C12D C11D O5D 1.2(7) . . . . ?
C13D C12D C11D C10D -2.2(14) . . . . ?
O6D C12D C11D C10D 176.7(8) . . . . ?
Mg18 C12D C11D C10D 179.9(9) . . . . ?
C13D C12D C11D Mg16 -177.7(19) . . . . ?
O6D C12D C11D Mg16 1(3) . . . . ?
Mg18 C12D C11D Mg16 4(2) . . . . ?
C13D C12D C11D Mg18 177.9(8) . . . . ?
O6D C12D C11D Mg18 -3.2(6) . . . . ?
O4D C10D C11D O5D 0.0(13) . . . . ?
C9D C10D C11D O5D -179.1(8) . . . . ?
Mg16 C10D C11D O5D 0.0(8) . . . . ?
O4D C10D C11D C12D -178.7(8) . . . . ?
C9D C10D C11D C12D 2.2(14) . . . . ?
Mg16 C10D C11D C12D -178.7(9) . . . . ?
O4D C10D C11D Mg16 0.0(7) . . . . ?
C9D C10D C11D Mg16 -179.1(9) . . . . ?
O4D C10D C11D Mg18 1(3) . . . . ?
C9D C10D C11D Mg18 -178.1(17) . . . . ?
Mg16 C10D C11D Mg18 1(2) . . . . ?
O1E C3E C2E C1E 174.1(8) . . . . ?
C4E C3E C2E C1E -2.9(13) . . . . ?
Mg15 C3E C2E C1E -173(2) . . . . ?
O1E C3E C2E C28E -3.0(13) . . . . ?
C4E C3E C2E C28E 179.9(8) . . . . ?
Mg15 C3E C2E C28E 10(3) . . . . ?
C6E C1E C2E C3E 3.0(13) . . . . ?
C6E C1E C2E C28E -179.9(8) . . . . ?
C7B C29B C30B C31B 178.2(8) . . . . ?
Mg6 O7B C17B C16B 174.7(7) . . . . ?
Mg6 O7B C17B C18B -9.8(10) . . . . ?
C15B C16B C17B O7B 177.7(8) . . . . ?
C14B C16B C17B O7B -3.9(14) . . . . ?
C15B C16B C17B C18B 2.3(13) . . . . ?
C14B C16B C17B C18B -179.3(8) . . . . ?
C15B C16B C17B Mg6 -167(2) . . . . ?
C14B C16B C17B Mg6 11(3) . . . . ?
C2E C1E C6E C5E -3.5(14) . . . . ?
C2E C1E C6E C7E 178.8(8) . . . . ?
C13A C8A C9A C10A 0.6(14) . . . . ?
C13A C8A C9A C7A -179.4(8) . . . . ?
O4A C10A C9A C8A -179.6(8) . . . . ?
C11A C10A C9A C8A -2.2(13) . . . . ?
Mg4 C10A C9A C8A -160(2) . . . . ?
O4A C10A C9A C7A 0.4(13) . . . . ?
C11A C10A C9A C7A 177.8(8) . . . . ?
Mg4 C10A C9A C7A 20(3) . . . . ?
C6D C1D C2D C3D -0.9(13) . . . . ?
C6D C1D C2D C28D 177.4(8) . . . . ?
O1D C3D C2D C1D -179.6(8) . . . . ?
C4D C3D C2D C1D -3.4(13) . . . . ?
Mg14 C3D C2D C1D -161(2) . . . . ?
O1D C3D C2D C28D 2.1(14) . . . . ?
C4D C3D C2D C28D 178.4(8) . . . . ?
Mg14 C3D C2D C28D 21(3) . . . . ?
C27D C28D C2D C1D -94.4(10) . . . . ?
C38D C28D C2D C1D 33.1(12) . . . . ?
C27D C28D C2D C3D 83.8(11) . . . . ?
C38D C28D C2D C3D -148.8(9) . . . . ?
C3E C2E C28E C38E -145.2(9) . . . . ?
C1E C2E C28E C38E 37.8(12) . . . . ?
C3E C2E C28E C27E 86.6(10) . . . . ?
C1E C2E C28E C27E -90.4(10) . . . . ?
C26E C27E C28E C38E 144.2(9) . . . . ?
C22E C27E C28E C38E -37.5(11) . . . . ?
C26E C27E C28E C2E -88.3(10) . . . . ?
C22E C27E C28E C2E 90.0(10) . . . . ?
C15C C16C C14C C13C -88.2(13) . . . . ?
C17C C16C C14C C13C 85.0(12) . . . . ?
C15C C16C C14C C32C 38.2(14) . . . . ?
C17C C16C C14C C32C -148.6(9) . . . . ?
Mg8 O5B C11B C10B -177.3(7) . . . . ?
Mg7 O5B C11B C10B -2.6(10) . . . . ?
Mg8 O5B C11B C12B 4.4(11) . . . . ?
Mg7 O5B C11B C12B 179.1(7) . . . . ?
Mg7 O5B C11B Mg8 174.7(8) . . . . ?
Mg8 O5B C11B Mg7 -174.7(8) . . . . ?
C9B C10B C11B O5B -176.9(8) . . . . ?
O4B C10B C11B O5B 4.1(12) . . . . ?
Mg7 C10B C11B O5B 1.8(7) . . . . ?
C9B C10B C11B C12B 1.5(13) . . . . ?
O4B C10B C11B C12B -177.5(7) . . . . ?
Mg7 C10B C11B C12B -179.8(8) . . . . ?
C9B C10B C11B Mg8 176.8(17) . . . . ?
O4B C10B C11B Mg8 -2(3) . . . . ?
Mg7 C10B C11B Mg8 -5(2) . . . . ?
C9B C10B C11B Mg7 -178.7(8) . . . . ?
O4B C10B C11B Mg7 2.3(6) . . . . ?
C13B C12B C11B O5B 178.1(8) . . . . ?
O6B C12B C11B O5B -6.1(12) . . . . ?
C13B C12B C11B C10B -0.3(13) . . . . ?
O6B C12B C11B C10B 175.5(7) . . . . ?
C13B C12B C11B Mg8 -178.9(9) . . . . ?
O6B C12B C11B Mg8 -3.1(7) . . . . ?
C13B C12B C11B Mg7 -179.6(19) . . . . ?
O6B C12B C11B Mg7 -4(3) . . . . ?
O7E C17E C16E C15E -180.0(8) . . . . ?
C18E C17E C16E C15E -1.3(12) . . . . ?
Mg17 C17E C16E C15E -170(3) 2_676 . . . ?
O7E C17E C16E C14E 3.0(13) . . . . ?
C18E C17E C16E C14E -178.4(8) . . . . ?
Mg17 C17E C16E C14E 13(3) 2_676 . . . ?
C20E C15E C16E C17E -1.2(13) . . . . ?
C20E C15E C16E C14E 175.8(8) . . . . ?
Mg5 O5A C11A C12A 1.2(11) . . . . ?
Mg4 O5A C11A C12A -176.9(7) . . . . ?
Mg5 O5A C11A C10A -177.9(7) . . . . ?
Mg4 O5A C11A C10A 4.0(11) . . . . ?
Mg4 O5A C11A Mg5 -178.1(8) . . . . ?
Mg5 O5A C11A Mg4 178.1(8) . . . . ?
C9A C10A C11A O5A -176.9(8) . . . . ?
O4A C10A C11A O5A 0.7(12) . . . . ?
Mg4 C10A C11A O5A -2.8(7) . . . . ?
C9A C10A C11A C12A 4.0(14) . . . . ?
O4A C10A C11A C12A -178.3(8) . . . . ?
Mg4 C10A C11A C12A 178.2(9) . . . . ?
C9A C10A C11A Mg5 178.2(18) . . . . ?
O4A C10A C11A Mg5 -4(3) . . . . ?
Mg4 C10A C11A Mg5 -8(2) . . . . ?
C9A C10A C11A Mg4 -174.1(8) . . . . ?
O4A C10A C11A Mg4 3.5(6) . . . . ?
Mg23 O5F C11F C10F 179.7(6) 2_676 . . . ?
Mg22 O5F C11F C10F 5.9(10) . . . . ?
Mg23 O5F C11F C12F -2.7(10) 2_676 . . . ?
Mg22 O5F C11F C12F -176.5(6) . . . . ?
Mg23 O5F C11F Mg22 173.8(7) 2_676 . . . ?
Mg22 O5F C11F Mg23 -173.8(7) . . . 2_676 ?
O4F C10F C11F O5F 1.3(12) . . . . ?
C9F C10F C11F O5F -179.6(8) . . . . ?
Mg22 C10F C11F O5F -4.2(7) . . . . ?
O4F C10F C11F C12F -176.3(7) . . . . ?
C9F C10F C11F C12F 2.8(13) . . . . ?
Mg22 C10F C11F C12F 178.2(8) . . . . ?
O4F C10F C11F Mg22 5.5(7) . . . . ?
C9F C10F C11F Mg22 -175.5(8) . . . . ?
O4F C10F C11F Mg23 2(3) . . . 2_676 ?
C9F C10F C11F Mg23 -178.9(16) . . . 2_676 ?
Mg22 C10F C11F Mg23 -3(2) . . . 2_676 ?
O6F C12F C11F O5F 0.5(12) . . . . ?
C13F C12F C11F O5F 178.2(8) . . . . ?
Mg23 C12F C11F O5F 1.9(7) 2_676 . . . ?
O6F C12F C11F C10F 178.1(8) . . . . ?
C13F C12F C11F C10F -4.2(13) . . . . ?
Mg23 C12F C11F C10F 179.5(8) 2_676 . . . ?
O6F C12F C11F Mg22 -8(3) . . . . ?
C13F C12F C11F Mg22 170.0(17) . . . . ?
Mg23 C12F C11F Mg22 -6(2) 2_676 . . . ?
O6F C12F C11F Mg23 -1.4(6) . . . 2_676 ?
C13F C12F C11F Mg23 176.3(8) . . . 2_676 ?
C8E C13E C14E C32E -39.9(12) . . . . ?
C12E C13E C14E C32E 146.2(8) . . . . ?
C8E C13E C14E C16E 88.5(10) . . . . ?
C12E C13E C14E C16E -85.4(9) . . . . ?
C17E C16E C14E C13E 86.7(10) . . . . ?
C15E C16E C14E C13E -90.3(10) . . . . ?
C17E C16E C14E C32E -143.2(9) . . . . ?
C15E C16E C14E C32E 39.8(11) . . . . ?
Mg18 O9E C19E C18E 7.3(10) 2_676 . . . ?
Mg18 O9E C19E C20E -175.1(7) 2_676 . . . ?
O8E C18E C19E O9E -6.5(12) . . . . ?
C17E C18E C19E O9E 176.3(8) . . . . ?
Mg17 C18E C19E O9E -3(2) 2_676 . . . ?
Mg18 C18E C19E O9E -5.2(7) 2_676 . . . ?
O8E C18E C19E C20E 175.8(8) . . . . ?
C17E C18E C19E C20E -1.4(13) . . . . ?
Mg17 C18E C19E C20E 178.9(15) 2_676 . . . ?
Mg18 C18E C19E C20E 177.1(8) 2_676 . . . ?
O8E C18E C19E Mg18 -1.4(7) . . . 2_676 ?
C17E C18E C19E Mg18 -178.5(8) . . . 2_676 ?
Mg17 C18E C19E Mg18 1.7(18) 2_676 . . 2_676 ?
C15E C20E C19E O9E -178.6(8) . . . . ?
C21E C20E C19E O9E 0.7(13) . . . . ?
C15E C20E C19E C18E -1.1(12) . . . . ?
C21E C20E C19E C18E 178.3(7) . . . . ?
C15E C20E C19E Mg18 167(2) . . . 2_676 ?
C21E C20E C19E Mg18 -13(3) . . . 2_676 ?
C33B C32B C14B C13B -62.6(12) . . . . ?
C33B C32B C14B C16B 168.8(9) . . . . ?
C8B C13B C14B C32B -40.8(12) . . . . ?
C12B C13B C14B C32B 139.4(9) . . . . ?
C8B C13B C14B C16B 90.7(9) . . . . ?
C12B C13B C14B C16B -89.0(10) . . . . ?
C15B C16B C14B C32B 36.7(12) . . . . ?
C17B C16B C14B C32B -141.7(9) . . . . ?
C15B C16B C14B C13B -94.2(10) . . . . ?
C17B C16B C14B C13B 87.5(10) . . . . ?
C16B C15B C20B C19B 0.1(14) . . . . ?
C16B C15B C20B C21B -176.6(8) . . . . ?
C18B C19B C20B C15B 0.8(14) . . . . ?
O9B C19B C20B C15B -177.2(8) . . . . ?
Mg5 C19B C20B C15B 167(2) 2_565 . . . ?
C18B C19B C20B C21B 177.6(8) . . . . ?
O9B C19B C20B C21B -0.4(13) . . . . ?
Mg5 C19B C20B C21B -16(3) 2_565 . . . ?
C35B C21B C20B C15B -36.3(12) . . . . ?
C23B C21B C20B C15B 92.4(10) . . . . ?
C35B C21B C20B C19B 147.1(9) . . . . ?
C23B C21B C20B C19B -84.2(10) . . . . ?
Mg5 O6A C12A C11A 5.4(10) . . . . ?
Mg5 O6A C12A C13A -176.0(7) . . . . ?
O5A C11A C12A O6A -4.6(13) . . . . ?
C10A C11A C12A O6A 174.4(8) . . . . ?
Mg5 C11A C12A O6A -3.8(7) . . . . ?
Mg4 C11A C12A O6A -12(3) . . . . ?
O5A C11A C12A C13A 176.8(8) . . . . ?
C10A C11A C12A C13A -4.2(14) . . . . ?
Mg5 C11A C12A C13A 177.6(8) . . . . ?
Mg4 C11A C12A C13A 169.8(19) . . . . ?
O5A C11A C12A Mg5 -0.8(8) . . . . ?
C10A C11A C12A Mg5 178.2(9) . . . . ?
Mg4 C11A C12A Mg5 -8(2) . . . . ?
C8A C13A C12A O6A -175.9(8) . . . . ?
C14A C13A C12A O6A -0.4(14) . . . . ?
C8A C13A C12A C11A 2.7(14) . . . . ?
C14A C13A C12A C11A 178.1(9) . . . . ?
C8A C13A C12A Mg5 173(2) . . . . ?
C14A C13A C12A Mg5 -12(3) . . . . ?
Mg7 O11A C25A C24A 177.6(7) . . . . ?
Mg9 O11A C25A C24A -2.0(11) 2_565 . . . ?
Mg7 O11A C25A C26A -0.5(11) . . . . ?
Mg9 O11A C25A C26A 179.9(7) 2_565 . . . ?
Mg7 O11A C25A Mg9 179.6(8) . . . 2_565 ?
Mg9 O11A C25A Mg7 -179.6(8) 2_565 . . . ?
O10A C24A C25A O11A 4.5(13) . . . . ?
C23A C24A C25A O11A -175.7(9) . . . . ?
Mg9 C24A C25A O11A 1.4(8) 2_565 . . . ?
O10A C24A C25A C26A -177.4(8) . . . . ?
C23A C24A C25A C26A 2.3(13) . . . . ?
Mg9 C24A C25A C26A 179.4(9) 2_565 . . . ?
O10A C24A C25A Mg9 3.2(6) . . . 2_565 ?
C23A C24A C25A Mg9 -177.1(8) . . . 2_565 ?
O10A C24A C25A Mg7 10(3) . . . . ?
C23A C24A C25A Mg7 -170.2(18) . . . . ?
Mg9 C24A C25A Mg7 7(2) 2_565 . . . ?
O12A C26A C25A O11A -4.5(13) . . . . ?
C27A C26A C25A O11A 175.0(8) . . . . ?
Mg7 C26A C25A O11A 0.3(7) . . . . ?
O12A C26A C25A C24A 177.4(8) . . . . ?
C27A C26A C25A C24A -3.1(13) . . . . ?
Mg7 C26A C25A C24A -177.7(9) . . . . ?
O12A C26A C25A Mg9 -4(3) . . . 2_565 ?
C27A C26A C25A Mg9 175.2(17) . . . 2_565 ?
Mg7 C26A C25A Mg9 1(2) . . . 2_565 ?
O12A C26A C25A Mg7 -4.8(7) . . . . ?
C27A C26A C25A Mg7 174.7(8) . . . . ?
Mg16 O12F C26F C27F -174.1(7) . . . . ?
Mg16 O12F C26F C25F 8.3(10) . . . . ?
C22F C27F C26F O12F -177.1(8) . . . . ?
C28F C27F C26F O12F 0.9(13) . . . . ?
C22F C27F C26F C25F 0.5(12) . . . . ?
C28F C27F C26F C25F 178.5(7) . . . . ?
C22F C27F C26F Mg16 165(2) . . . . ?
C28F C27F C26F Mg16 -17(3) . . . . ?
Mg6 O10C C24C C23C 178.5(8) 2_565 . . . ?
Mg6 O10C C24C C25C 0.7(10) 2_565 . . . ?
C23D C21D C35D C36D 66.8(12) . . . . ?
C20D C21D C35D C36D -162.4(10) . . . . ?
C2C C28C C27C C22C 89.0(11) . . . . ?
C38C C28C C27C C22C -36.9(14) . . . . ?
C2C C28C C27C C26C -89.9(11) . . . . ?
C38C C28C C27C C26C 144.2(10) . . . . ?
Mg1 O1C C3C C4C -5.7(11) . . . . ?
Mg1 O1C C3C C2C 171.9(8) . . . . ?
O10C C24C C23C C22C 178.5(9) . . . . ?
C25C C24C C23C C22C -3.7(15) . . . . ?
Mg6 C24C C23C C22C -177(3) 2_565 . . . ?
O10C C24C C23C C21C 0.8(15) . . . . ?
C25C C24C C23C C21C 178.6(9) . . . . ?
Mg6 C24C C23C C21C 5(4) 2_565 . . . ?
C20A C15A C16A C17A -0.4(15) . . . . ?
C20A C15A C16A C14A 177.7(9) . . . . ?
C26A C27A C22A C23A -5.3(14) . . . . ?
C28A C27A C22A C23A -179.7(8) . . . . ?
C8A C9A C7A C29A 33.0(13) . . . . ?
C10A C9A C7A C29A -147.0(9) . . . . ?
C8A C9A C7A C6A -91.4(10) . . . . ?
C10A C9A C7A C6A 88.6(10) . . . . ?
C16D C14D C32D C33D 172.9(9) . . . . ?
C13D C14D C32D C33D -60.3(12) . . . . ?
Mg12 O8A C18A C17A 0.0(11) . . . . ?
Mg11 O8A C18A C17A 176.0(7) 2_565 . . . ?
Mg12 O8A C18A C19A -178.6(8) . . . . ?
Mg11 O8A C18A C19A -2.6(11) 2_565 . . . ?
Mg11 O8A C18A Mg12 176.0(7) 2_565 . . . ?
Mg12 O8A C18A Mg11 -176.0(7) . . . 2_565 ?
C20A C19A C18A O8A 176.1(9) . . . . ?
O9A C19A C18A O8A -1.8(14) . . . . ?
C20A C19A C18A C17A -2.5(15) . . . . ?
O9A C19A C18A C17A 179.6(8) . . . . ?
C20A C19A C18A Mg12 173(2) . . . . ?
O9A C19A C18A Mg12 -5(3) . . . . ?
C20A C19A C18A Mg11 174.3(9) . . . 2_565 ?
O9A C19A C18A Mg11 -3.6(7) . . . 2_565 ?
Mg9 O7C C17C C16C 173.0(8) . . . . ?
Mg9 O7C C17C C18C -5.2(10) . . . . ?
C15C C16C C17C O7C 175.6(9) . . . . ?
C14C C16C C17C O7C 2.0(15) . . . . ?
C15C C16C C17C C18C -6.2(15) . . . . ?
C14C C16C C17C C18C -179.8(9) . . . . ?
C15C C16C C17C Mg9 -164(3) . . . . ?
C14C C16C C17C Mg9 22(4) . . . . ?
Mg24 O7D C17D C16D 170.2(7) . . . . ?
Mg24 O7D C17D C18D -6.4(9) . . . . ?
C15D C16D C17D O7D -178.4(8) . . . . ?
C14D C16D C17D O7D 3.9(14) . . . . ?
C15D C16D C17D C18D -2.1(13) . . . . ?
C14D C16D C17D C18D -179.8(8) . . . . ?
C15D C16D C17D Mg24 -153(2) . . . . ?
C14D C16D C17D Mg24 29(3) . . . . ?
Mg10 O4C C10C C9C 177.0(9) . . . . ?
Mg10 O4C C10C C11C -3.1(12) . . . . ?
O5C C11C C10C O4C 2.3(14) . . . . ?
C12C C11C C10C O4C -171.2(9) . . . . ?
Mg11 C11C C10C O4C -6(3) . . . . ?
Mg10 C11C C10C O4C 2.2(8) . . . . ?
O5C C11C C10C C9C -177.7(9) . . . . ?
C12C C11C C10C C9C 8.7(15) . . . . ?
Mg11 C11C C10C C9C 173.8(16) . . . . ?
Mg10 C11C C10C C9C -177.9(10) . . . . ?
O5C C11C C10C Mg10 0.1(8) . . . . ?
C12C C11C C10C Mg10 -173.5(9) . . . . ?
Mg11 C11C C10C Mg10 -8(2) . . . . ?
C2A C1A C6A C5A -2.8(14) . . . . ?
C2A C1A C6A C7A -179.6(8) . . . . ?
O3A C5A C6A C1A -176.4(8) . . . . ?
C4A C5A C6A C1A 3.3(13) . . . . ?
Mg1 C5A C6A C1A 176(2) . . . . ?
O3A C5A C6A C7A 0.5(13) . . . . ?
C4A C5A C6A C7A -179.8(8) . . . . ?
Mg1 C5A C6A C7A -7(3) . . . . ?
C29A C7A C6A C1A -37.7(13) . . . . ?
C9A C7A C6A C1A 88.5(11) . . . . ?
C29A C7A C6A C5A 145.5(9) . . . . ?
C9A C7A C6A C5A -88.3(10) . . . . ?
Mg24 O8D C18D C19D -173.6(7) . . . . ?
Mg23 O8D C18D C19D -4.5(11) . . . . ?
Mg24 O8D C18D C17D 6.6(11) . . . . ?
Mg23 O8D C18D C17D 175.6(7) . . . . ?
Mg24 O8D C18D Mg23 -169.0(8) . . . . ?
Mg23 O8D C18D Mg24 169.0(8) . . . . ?
O9D C19D C18D O8D -3.0(13) . . . . ?
C20D C19D C18D O8D 176.5(8) . . . . ?
Mg23 C19D C18D O8D 3.2(8) . . . . ?
O9D C19D C18D C17D 176.9(7) . . . . ?
C20D C19D C18D C17D -3.6(13) . . . . ?
Mg23 C19D C18D C17D -176.9(8) . . . . ?
O9D C19D C18D Mg23 -6.2(6) . . . . ?
C20D C19D C18D Mg23 173.3(8) . . . . ?
O9D C19D C18D Mg24 -19(3) . . . . ?
C20D C19D C18D Mg24 160.2(19) . . . . ?
Mg23 C19D C18D Mg24 -13(2) . . . . ?
O7D C17D C18D O8D 0.0(12) . . . . ?
C16D C17D C18D O8D -176.7(9) . . . . ?
Mg24 C17D C18D O8D -4.5(7) . . . . ?
O7D C17D C18D C19D -179.9(7) . . . . ?
C16D C17D C18D C19D 3.5(13) . . . . ?
Mg24 C17D C18D C19D 175.6(8) . . . . ?
O7D C17D C18D Mg23 12(3) . . . . ?
C16D C17D C18D Mg23 -165(2) . . . . ?
Mg24 C17D C18D Mg23 7(2) . . . . ?
O7D C17D C18D Mg24 4.5(6) . . . . ?
C16D C17D C18D Mg24 -172.1(9) . . . . ?
Mg14 O2E C4E C3E -179.6(7) . . . . ?
Mg15 O2E C4E C3E 2.5(10) . . . . ?
Mg14 O2E C4E C5E -1.7(10) . . . . ?
Mg15 O2E C4E C5E -179.6(7) . . . . ?
Mg15 O2E C4E Mg14 -177.9(7) . . . . ?
Mg14 O2E C4E Mg15 177.9(7) . . . . ?
C2E C3E C4E O2E -178.9(8) . . . . ?
O1E C3E C4E O2E 3.9(13) . . . . ?
Mg15 C3E C4E O2E -1.8(7) . . . . ?
C2E C3E C4E C5E 3.3(14) . . . . ?
O1E C3E C4E C5E -173.9(8) . . . . ?
Mg15 C3E C4E C5E -179.6(9) . . . . ?
C2E C3E C4E Mg14 -179.8(17) . . . . ?
O1E C3E C4E Mg14 3(3) . . . . ?
Mg15 C3E C4E Mg14 -3(2) . . . . ?
C2E C3E C4E Mg15 -177.1(9) . . . . ?
O1E C3E C4E Mg15 5.7(7) . . . . ?
C15E C20E C21E C23E 92.4(10) . . . . ?
C19E C20E C21E C23E -86.9(10) . . . . ?
C15E C20E C21E C35E -38.2(12) . . . . ?
C19E C20E C21E C35E 142.5(8) . . . . ?
C24E C23E C21E C20E 84.9(11) . . . . ?
C22E C23E C21E C20E -90.7(10) . . . . ?
C24E C23E C21E C35E -145.6(9) . . . . ?
C22E C23E C21E C35E 38.7(12) . . . . ?
Mg12 O7A C17A C18A -7.0(10) . . . . ?
Mg12 O7A C17A C16A 175.7(7) . . . . ?
O8A C18A C17A O7A 4.9(13) . . . . ?
C19A C18A C17A O7A -176.5(8) . . . . ?
Mg12 C18A C17A O7A 4.9(7) . . . . ?
Mg11 C18A C17A O7A 14(3) 2_565 . . . ?
O8A C18A C17A C16A -177.7(8) . . . . ?
C19A C18A C17A C16A 0.9(14) . . . . ?
Mg12 C18A C17A C16A -177.7(9) . . . . ?
Mg11 C18A C17A C16A -168.6(19) 2_565 . . . ?
O8A C18A C17A Mg12 0.0(8) . . . . ?
C19A C18A C17A Mg12 178.6(9) . . . . ?
Mg11 C18A C17A Mg12 9(2) 2_565 . . . ?
C15A C16A C17A O7A 177.8(8) . . . . ?
C14A C16A C17A O7A -0.4(14) . . . . ?
C15A C16A C17A C18A 0.5(14) . . . . ?
C14A C16A C17A C18A -177.7(9) . . . . ?
C15A C16A C17A Mg12 -171(2) . . . . ?
C14A C16A C17A Mg12 11(3) . . . . ?
O1C C3C C2C C1C -179.0(9) . . . . ?
C4C C3C C2C C1C -1.5(15) . . . . ?
Mg1 C3C C2C C1C -156(2) . . . . ?
O1C C3C C2C C28C 3.0(15) . . . . ?
C4C C3C C2C C28C -179.5(8) . . . . ?
Mg1 C3C C2C C28C 26(3) . . . . ?
C27C C28C C2C C1C -91.0(12) . . . . ?
C38C C28C C2C C1C 34.7(14) . . . . ?
C27C C28C C2C C3C 86.8(11) . . . . ?
C38C C28C C2C C3C -147.5(9) . . . . ?
Mg16 O11F C25F C24F 175.8(7) . . . . ?
Mg17 O11F C25F C24F 2.5(11) . . . . ?
Mg16 O11F C25F C26F -2.9(11) . . . . ?
Mg17 O11F C25F C26F -176.1(6) . . . . ?
Mg16 O11F C25F Mg17 173.2(9) . . . . ?
Mg17 O11F C25F Mg16 -173.2(9) . . . . ?
O10F C24F C25F O11F 3.6(13) . . . . ?
C23F C24F C25F O11F -178.3(8) . . . . ?
Mg17 C24F C25F O11F -1.8(8) . . . . ?
O10F C24F C25F C26F -177.8(7) . . . . ?
C23F C24F C25F C26F 0.3(13) . . . . ?
Mg17 C24F C25F C26F 176.8(8) . . . . ?
O10F C24F C25F Mg17 5.4(6) . . . . ?
C23F C24F C25F Mg17 -176.5(8) . . . . ?
O10F C24F C25F Mg16 14(3) . . . . ?
C23F C24F C25F Mg16 -167.9(19) . . . . ?
Mg17 C24F C25F Mg16 9(2) . . . . ?
O12F C26F C25F O11F -3.9(12) . . . . ?
C27F C26F C25F O11F 178.3(8) . . . . ?
Mg16 C26F C25F O11F 2.0(7) . . . . ?
O12F C26F C25F C24F 177.5(8) . . . . ?
C27F C26F C25F C24F -0.3(12) . . . . ?
Mg16 C26F C25F C24F -176.7(8) . . . . ?
O12F C26F C25F Mg17 -12(2) . . . . ?
C27F C26F C25F Mg17 170.1(15) . . . . ?
Mg16 C26F C25F Mg17 -6.3(18) . . . . ?
O12F C26F C25F Mg16 -5.9(7) . . . . ?
C27F C26F C25F Mg16 176.4(8) . . . . ?
C13E C14E C32E C33E -161.5(11) . . . . ?
C16E C14E C32E C33E 70.4(12) . . . . ?
C23B C21B C35B C36B 169.8(10) . . . . ?
C20B C21B C35B C36B -64.1(12) . . . . ?
Mg13 O3D C5D C6D -172.1(7) . . . . ?
Mg13 O3D C5D C4D 6.8(10) . . . . ?
C1D C6D C5D O3D -178.5(8) . . . . ?
C7D C6D C5D O3D 0.0(14) . . . . ?
C1D C6D C5D C4D 2.7(14) . . . . ?
C7D C6D C5D C4D -178.8(8) . . . . ?
C1D C6D C5D Mg13 161(2) . . . . ?
C7D C6D C5D Mg13 -20(3) . . . . ?
Mg14 O2D C4D C5D -180.0(8) . . . . ?
Mg13 O2D C4D C5D -3.6(12) . . . . ?
Mg14 O2D C4D C3D 3.3(12) . . . . ?
Mg13 O2D C4D C3D 179.7(7) . . . . ?
Mg14 O2D C4D Mg13 -176.4(9) . . . . ?
Mg13 O2D C4D Mg14 176.4(9) . . . . ?
O3D C5D C4D O2D -2.4(14) . . . . ?
C6D C5D C4D O2D 176.5(9) . . . . ?
Mg13 C5D C4D O2D 2.5(8) . . . . ?
O3D C5D C4D C3D 174.4(8) . . . . ?
C6D C5D C4D C3D -6.7(15) . . . . ?
Mg13 C5D C4D C3D 179.3(9) . . . . ?
O3D C5D C4D Mg13 -4.9(7) . . . . ?
C6D C5D C4D Mg13 174.0(9) . . . . ?
O3D C5D C4D Mg14 -2(3) . . . . ?
C6D C5D C4D Mg14 176(2) . . . . ?
Mg13 C5D C4D Mg14 2(3) . . . . ?
O1D C3D C4D O2D 0.3(14) . . . . ?
C2D C3D C4D O2D -176.2(9) . . . . ?
Mg14 C3D C4D O2D -2.3(8) . . . . ?
O1D C3D C4D C5D -176.5(8) . . . . ?
C2D C3D C4D C5D 7.0(14) . . . . ?
Mg14 C3D C4D C5D -179.1(9) . . . . ?
O1D C3D C4D Mg13 1(3) . . . . ?
C2D C3D C4D Mg13 -176(2) . . . . ?
Mg14 C3D C4D Mg13 -2(2) . . . . ?
O1D C3D C4D Mg14 2.6(7) . . . . ?
C2D C3D C4D Mg14 -173.9(9) . . . . ?
Mg2 O2B C4B C5B -5.7(10) . . . . ?
Mg3 O2B C4B C5B -178.3(6) . . . . ?
Mg2 O2B C4B C3B 175.9(7) . . . . ?
Mg3 O2B C4B C3B 3.2(10) . . . . ?
Mg3 O2B C4B Mg2 -172.7(7) . . . . ?
Mg2 O2B C4B Mg3 172.7(7) . . . . ?
O3B C5B C4B O2B -0.6(12) . . . . ?
C6B C5B C4B O2B 177.1(8) . . . . ?
Mg2 C5B C4B O2B 4.0(7) . . . . ?
O3B C5B C4B C3B 177.9(7) . . . . ?
C6B C5B C4B C3B -4.4(13) . . . . ?
Mg2 C5B C4B C3B -177.6(8) . . . . ?
O3B C5B C4B Mg2 -4.6(7) . . . . ?
C6B C5B C4B Mg2 173.1(8) . . . . ?
O3B C5B C4B Mg3 -4(3) . . . . ?
C6B C5B C4B Mg3 173.4(16) . . . . ?
Mg2 C5B C4B Mg3 0(2) . . . . ?
C2B C3B C4B O2B -177.4(8) . . . . ?
O1B C3B C4B O2B -0.7(12) . . . . ?
Mg3 C3B C4B O2B -2.3(7) . . . . ?
C2B C3B C4B C5B 4.2(13) . . . . ?
O1B C3B C4B C5B -179.2(8) . . . . ?
Mg3 C3B C4B C5B 179.3(8) . . . . ?
C2B C3B C4B Mg2 -167.6(17) . . . . ?
O1B C3B C4B Mg2 9(3) . . . . ?
Mg3 C3B C4B Mg2 8(2) . . . . ?
C2B C3B C4B Mg3 -175.2(8) . . . . ?
O1B C3B C4B Mg3 1.5(6) . . . . ?
C3C C2C C1C C6C 1.2(16) . . . . ?
C28C C2C C1C C6C 179.0(9) . . . . ?
O4C C10C C9C C8C 174.7(9) . . . . ?
C11C C10C C9C C8C -5.2(16) . . . . ?
Mg10 C10C C9C C8C -177(3) . . . . ?
O4C C10C C9C C7C 3.1(16) . . . . ?
C11C C10C C9C C7C -176.8(9) . . . . ?
Mg10 C10C C9C C7C 11(4) . . . . ?
C13C C8C C9C C10C 4.4(15) . . . . ?
C13C C8C C9C C7C 175.7(9) . . . . ?
C6C C7C C9C C10C 89.6(12) . . . . ?
C29C C7C C9C C10C -143.0(11) . . . . ?
C6C C7C C9C C8C -81.8(12) . . . . ?
C29C C7C C9C C8C 45.6(13) . . . . ?
Mg14 O3E C5E C6E -176.4(8) . . . . ?
Mg14 O3E C5E C4E 2.6(10) . . . . ?
C1E C6E C5E O3E -177.3(9) . . . . ?
C7E C6E C5E O3E 0.4(15) . . . . ?
C1E C6E C5E C4E 3.6(14) . . . . ?
C7E C6E C5E C4E -178.6(8) . . . . ?
C1E C6E C5E Mg14 173(3) . . . . ?
C7E C6E C5E Mg14 -9(4) . . . . ?
O2E C4E C5E O3E -0.6(13) . . . . ?
C3E C4E C5E O3E 177.2(8) . . . . ?
Mg14 C4E C5E O3E -1.8(7) . . . . ?
Mg15 C4E C5E O3E -1(3) . . . . ?
O2E C4E C5E C6E 178.5(9) . . . . ?
C3E C4E C5E C6E -3.6(14) . . . . ?
Mg14 C4E C5E C6E 177.3(9) . . . . ?
Mg15 C4E C5E C6E 177.6(17) . . . . ?
O2E C4E C5E Mg14 1.2(7) . . . . ?
C3E C4E C5E Mg14 179.0(9) . . . . ?
Mg15 C4E C5E Mg14 0(2) . . . . ?
C26C C27C C22C C23C 1.4(15) . . . . ?
C28C C27C C22C C23C -177.4(9) . . . . ?
C24C C23C C22C C27C 0.4(15) . . . . ?
C21C C23C C22C C27C 178.0(9) . . . . ?
Mg3 O3C C5C C6C -170.8(8) . . . . ?
Mg3 O3C C5C C4C 8.5(10) . . . . ?
C5E C6E C7E C29E 144.9(9) . . . . ?
C1E C6E C7E C29E -37.4(12) . . . . ?
C5E C6E C7E C9E -87.1(11) . . . . ?
C1E C6E C7E C9E 90.6(10) . . . . ?
C8E C9E C7E C29E 40.5(12) . . . . ?
C10E C9E C7E C29E -144.7(9) . . . . ?
C8E C9E C7E C6E -88.2(10) . . . . ?
C10E C9E C7E C6E 86.6(10) . . . . ?
Mg3 O2C C4C C3C 177.0(7) . . . . ?
Mg1 O2C C4C C3C 3.6(11) . . . . ?
Mg3 O2C C4C C5C -2.3(11) . . . . ?
Mg1 O2C C4C C5C -175.7(7) . . . . ?
Mg1 O2C C4C Mg3 -173.4(7) . . . . ?
Mg3 O2C C4C Mg1 173.4(7) . . . . ?
O1C C3C C4C O2C 1.5(14) . . . . ?
C2C C3C C4C O2C -176.2(9) . . . . ?
Mg1 C3C C4C O2C -2.5(8) . . . . ?
O1C C3C C4C C5C -179.2(8) . . . . ?
C2C C3C C4C C5C 3.0(14) . . . . ?
Mg1 C3C C4C C5C 176.8(9) . . . . ?
O1C C3C C4C Mg3 9(3) . . . . ?
C2C C3C C4C Mg3 -169.1(19) . . . . ?
Mg1 C3C C4C Mg3 5(2) . . . . ?
O1C C3C C4C Mg1 4.0(8) . . . . ?
C2C C3C C4C Mg1 -173.7(9) . . . . ?
O3C C5C C4C O2C -4.4(13) . . . . ?
C6C C5C C4C O2C 174.9(9) . . . . ?
Mg3 C5C C4C O2C 1.6(8) . . . . ?
O3C C5C C4C C3C 176.3(8) . . . . ?
C6C C5C C4C C3C -4.3(15) . . . . ?
Mg3 C5C C4C C3C -177.7(9) . . . . ?
O3C C5C C4C Mg3 -6.0(7) . . . . ?
C6C C5C C4C Mg3 173.3(9) . . . . ?
O3C C5C C4C Mg1 -15(3) . . . . ?
C6C C5C C4C Mg1 164.6(19) . . . . ?
Mg3 C5C C4C Mg1 -9(2) . . . . ?
O9B C19B C18B O8B -3.2(14) . . . . ?
C20B C19B C18B O8B 178.7(8) . . . . ?
Mg5 C19B C18B O8B 2.3(8) 2_565 . . . ?
O9B C19B C18B C17B 178.0(8) . . . . ?
C20B C19B C18B C17B -0.1(14) . . . . ?
Mg5 C19B C18B C17B -176.5(9) 2_565 . . . ?
O9B C19B C18B Mg5 -5.4(7) . . . 2_565 ?
C20B C19B C18B Mg5 176.5(9) . . . 2_565 ?
O9B C19B C18B Mg6 -16(3) . . . . ?
C20B C19B C18B Mg6 166.2(19) . . . . ?
Mg5 C19B C18B Mg6 -10(2) 2_565 . . . ?
Mg6 O8B C18B C19B -174.5(7) . . . . ?
Mg5 O8B C18B C19B -3.2(11) 2_565 . . . ?
Mg6 O8B C18B C17B 4.3(11) . . . . ?
Mg5 O8B C18B C17B 175.6(7) 2_565 . . . ?
Mg6 O8B C18B Mg5 -171.3(8) . . . 2_565 ?
Mg5 O8B C18B Mg6 171.3(8) 2_565 . . . ?
O7B C17B C18B C19B -177.3(9) . . . . ?
C16B C17B C18B C19B -1.5(14) . . . . ?
Mg6 C17B C18B C19B 175.9(9) . . . . ?
O7B C17B C18B O8B 3.9(13) . . . . ?
C16B C17B C18B O8B 179.6(9) . . . . ?
Mg6 C17B C18B O8B -3.0(7) . . . . ?
O7B C17B C18B Mg5 13(3) . . . 2_565 ?
C16B C17B C18B Mg5 -170.8(16) . . . 2_565 ?
Mg6 C17B C18B Mg5 7(2) . . . 2_565 ?
O7B C17B C18B Mg6 6.9(7) . . . . ?
C16B C17B C18B Mg6 -177.4(9) . . . . ?
Mg9 O8C C18C C19C 178.3(8) . . . . ?
Mg8 O8C C18C C19C -7.6(12) 2_565 . . . ?
Mg9 O8C C18C C17C 5.1(12) . . . . ?
Mg8 O8C C18C C17C 179.2(8) 2_565 . . . ?
Mg9 O8C C18C Mg8 -174.1(9) . . . 2_565 ?
Mg8 O8C C18C Mg9 174.1(9) 2_565 . . . ?
O7C C17C C18C O8C 0.1(14) . . . . ?
C16C C17C C18C O8C -178.2(9) . . . . ?
Mg9 C17C C18C O8C -3.5(8) . . . . ?
O7C C17C C18C C19C -173.3(9) . . . . ?
C16C C17C C18C C19C 8.4(15) . . . . ?
Mg9 C17C C18C C19C -176.9(10) . . . . ?
O7C C17C C18C Mg8 2(3) . . . 2_565 ?
C16C C17C C18C Mg8 -176(2) . . . 2_565 ?
Mg9 C17C C18C Mg8 -2(3) . . . 2_565 ?
O7C C17C C18C Mg9 3.7(7) . . . . ?
C16C C17C C18C Mg9 -174.7(9) . . . . ?
O6C C12C C13C C8C -179.4(9) . . . . ?
C11C C12C C13C C8C 9.8(14) . . . . ?
Mg11 C12C C13C C8C 161(3) . . . . ?
O6C C12C C13C C14C -7.0(15) . . . . ?
C11C C12C C13C C14C -177.7(9) . . . . ?
Mg11 C12C C13C C14C -27(4) . . . . ?
C9C C8C C13C C12C -7.0(15) . . . . ?
C9C C8C C13C C14C -179.2(9) . . . . ?
C16C C14C C13C C12C -88.3(12) . . . . ?
C32C C14C C13C C12C 146.4(10) . . . . ?
C16C C14C C13C C8C 84.2(12) . . . . ?
C32C C14C C13C C8C -41.1(14) . . . . ?
Mg4 O11C C25C C26C -2.6(11) . . . . ?
Mg6 O11C C25C C26C 176.6(7) 2_565 . . . ?
Mg4 O11C C25C C24C -178.2(7) . . . . ?
Mg6 O11C C25C C24C 1.0(11) 2_565 . . . ?
Mg6 O11C C25C Mg4 179.3(8) 2_565 . . . ?
Mg4 O11C C25C Mg6 -179.3(8) . . . 2_565 ?
C23C C24C C25C O11C -179.1(9) . . . . ?
O10C C24C C25C O11C -1.2(14) . . . . ?
Mg6 C24C C25C O11C -0.7(8) 2_565 . . . ?
C23C C24C C25C C26C 5.2(15) . . . . ?
O10C C24C C25C C26C -176.9(9) . . . . ?
Mg6 C24C C25C C26C -176.4(9) 2_565 . . . ?
C23C C24C C25C Mg4 176.8(18) . . . . ?
O10C C24C C25C Mg4 -5(3) . . . . ?
Mg6 C24C C25C Mg4 -5(2) 2_565 . . . ?
C23C C24C C25C Mg6 -178.4(10) . . . 2_565 ?
O10C C24C C25C Mg6 -0.5(7) . . . 2_565 ?
C9D C7D C29D C30D 64.0(14) . . . . ?
C6D C7D C29D C30D -170.5(11) . . . . ?
O10A C24A C23A C22A 176.7(8) . . . . ?
C25A C24A C23A C22A -3.0(14) . . . . ?
Mg9 C24A C23A C22A -170(3) 2_565 . . . ?
O10A C24A C23A C21A -0.8(14) . . . . ?
C25A C24A C23A C21A 179.5(8) . . . . ?
Mg9 C24A C23A C21A 13(4) 2_565 . . . ?
C27A C22A C23A C24A 4.7(14) . . . . ?
C27A C22A C23A C21A -178.0(8) . . . . ?
C17C C16C C15C C20C 2.8(17) . . . . ?
C14C C16C C15C C20C 175.7(10) . . . . ?
C19C C20C C15C C16C -1.5(16) . . . . ?
C21C C20C C15C C16C 178.1(10) . . . . ?
C2E C28E C38E C39E 174.8(12) . . . . ?
C27E C28E C38E C39E -59.5(14) . . . . ?
C24A C23A C21A C35A -146.6(10) . . . . ?
C22A C23A C21A C35A 36.0(13) . . . . ?
C24A C23A C21A C20A 88.0(11) . . . . ?
C22A C23A C21A C20A -89.4(11) . . . . ?
C15A C20A C21A C35A -36.5(13) . . . . ?
C19A C20A C21A C35A 146.2(10) . . . . ?
C15A C20A C21A C23A 89.9(11) . . . . ?
C19A C20A C21A C23A -87.4(11) . . . . ?
C9A C7A C29A C30A 69.1(12) . . . . ?
C6A C7A C29A C30A -167.7(9) . . . . ?
C24C C23C C21C C35C -143.5(11) . . . . ?
C22C C23C C21C C35C 38.8(15) . . . . ?
C24C C23C C21C C20C 89.4(11) . . . . ?
C22C C23C C21C C20C -88.2(11) . . . . ?
C15C C20C C21C C35C -33.8(14) . . . . ?
C19C C20C C21C C35C 145.7(10) . . . . ?
C15C C20C C21C C23C 92.5(12) . . . . ?
C19C C20C C21C C23C -88.0(11) . . . . ?
C2C C1C C6C C5C -2.4(16) . . . . ?
C2C C1C C6C C7C -178.7(10) . . . . ?
O3C C5C C6C C1C -176.9(9) . . . . ?
C4C C5C C6C C1C 3.9(14) . . . . ?
Mg3 C5C C6C C1C 160(2) . . . . ?
O3C C5C C6C C7C -0.3(14) . . . . ?
C4C C5C C6C C7C -179.6(9) . . . . ?
Mg3 C5C C6C C7C -24(3) . . . . ?
C9C C7C C6C C1C 90.3(12) . . . . ?
C29C C7C C6C C1C -34.8(14) . . . . ?
C9C C7C C6C C5C -85.9(11) . . . . ?
C29C C7C C6C C5C 149.0(9) . . . . ?
Mg8 O9C C19C C18C 5.6(11) 2_565 . . . ?
Mg8 O9C C19C C20C -172.5(8) 2_565 . . . ?
O8C C18C C19C O9C 1.3(15) . . . . ?
C17C C18C C19C O9C 174.6(9) . . . . ?
Mg8 C18C C19C O9C -4.0(8) 2_565 . . . ?
Mg9 C18C C19C O9C 5(3) . . . . ?
O8C C18C C19C C20C 179.6(9) . . . . ?
C17C C18C C19C C20C -7.1(15) . . . . ?
Mg8 C18C C19C C20C 174.2(9) 2_565 . . . ?
Mg9 C18C C19C C20C -176(2) . . . . ?
O8C C18C C19C Mg8 5.3(9) . . . 2_565 ?
C17C C18C C19C Mg8 178.6(9) . . . 2_565 ?
Mg9 C18C C19C Mg8 9(3) . . . 2_565 ?
C15C C20C C19C O9C -178.3(9) . . . . ?
C21C C20C C19C O9C 2.2(15) . . . . ?
C15C C20C C19C C18C 3.7(15) . . . . ?
C21C C20C C19C C18C -175.9(9) . . . . ?
C15C C20C C19C Mg8 160(3) . . . 2_565 ?
C21C C20C C19C Mg8 -19(4) . . . 2_565 ?
O11C C25C C26C O12C 0.4(13) . . . . ?
C24C C25C C26C O12C 176.1(8) . . . . ?
Mg4 C25C C26C O12C -1.3(7) . . . . ?
Mg6 C25C C26C O12C 8(3) 2_565 . . . ?
O11C C25C C26C C27C -179.1(9) . . . . ?
C24C C25C C26C C27C -3.4(15) . . . . ?
Mg4 C25C C26C C27C 179.1(9) . . . . ?
Mg6 C25C C26C C27C -171.2(19) 2_565 . . . ?
O11C C25C C26C Mg4 1.8(8) . . . . ?
C24C C25C C26C Mg4 177.5(9) . . . . ?
Mg6 C25C C26C Mg4 10(2) 2_565 . . . ?
Mg4 O12C C26C C25C 2.0(10) . . . . ?
Mg4 O12C C26C C27C -178.5(8) . . . . ?
C22C C27C C26C C25C 0.2(15) . . . . ?
C28C C27C C26C C25C 179.1(9) . . . . ?
C22C C27C C26C O12C -179.4(9) . . . . ?
C28C C27C C26C O12C -0.4(14) . . . . ?
C22C C27C C26C Mg4 177(2) . . . . ?
C28C C27C C26C Mg4 -4(3) . . . . ?
C20E C21E C35E C36E -66.9(11) . . . . ?
C23E C21E C35E C36E 163.9(9) . . . . ?
C2A C28A C38A C39A 172.1(11) . . . . ?
C27A C28A C38A C39A -64.0(12) . . . . ?
C27D C28D C38D C39D -58.7(12) . . . . ?
C2D C28D C38D C39D 175.1(9) . . . . ?
C6E C7E C29E C30E -61.1(12) . . . . ?
C9E C7E C29E C30E 172.7(9) . . . . ?
C23A C21A C35A C36A 63.8(13) . . . . ?
C20A C21A C35A C36A -172.4(10) . . . . ?
C2C C28C C38C C39C 169.4(10) . . . . ?
C27C C28C C38C C39C -67.0(13) . . . . ?
C33A C32A C14A C16A 70.0(15) . . . . ?
C33A C32A C14A C13A -162.2(13) . . . . ?
C15A C16A C14A C32A 36.8(13) . . . . ?
C17A C16A C14A C32A -145.1(9) . . . . ?
C15A C16A C14A C13A -91.2(10) . . . . ?
C17A C16A C14A C13A 86.9(10) . . . . ?
C8A C13A C14A C32A -40.7(13) . . . . ?
C12A C13A C14A C32A 144.1(10) . . . . ?
C8A C13A C14A C16A 90.6(10) . . . . ?
C12A C13A C14A C16A -84.7(10) . . . . ?
C14B C32B C33B C34B -179.1(10) . . . . ?
C23C C21C C35C C36C 172.8(15) . . . . ?
C20C C21C C35C C36C -63.3(17) . . . . ?
C28D C38D C39D C40D 169.0(10) . . . . ?
C21A C35A C36A C37A 177.2(12) . . . . ?
C6C C7C C29C C30C -63.4(14) . . . . ?
C9C C7C C29C C30C 168.9(11) . . . . ?
C14D C32D C33D C34D -179.1(13) . . . . ?
C28F C38F C39F C40F 175.2(11) . . . . ?
C7A C29A C30A C31A -176.7(11) . . . . ?
C16C C14C C32C C33C 61.1(17) . . . . ?
C13C C14C C32C C33C -172.3(15) . . . . ?
C3P C2P N1P C6P 0.0(16) . . . . ?
C7E C29E C30E C31E 168.0(15) . . . . ?
C7D C29D C30D C31D 179.2(15) . . . . ?
C21B C35B C36B C37B -172.7(14) . . . . ?
C28C C38C C39C C40C -179.7(15) . . . . ?
C28B C38B C39B C40B -172.9(13) . . . . ?
C14F C32F C33F C34F 173.6(13) . . . . ?
C14A C32A C33A C34A 171.2(15) . . . . ?
C21E C35E C36E C37E -174.4(15) . . . . ?
C28A C38A C39A C40A -178.4(17) . . . . ?
N1P C2P C3P C4P 1.0(16) . . . . ?
C9P C8P N2P C12P -1(2) . . . . ?
C7C C29C C30C C31C -171.3(17) . . . . ?
C21D C35D C36D C37D 171.3(13) . . . . ?
N2P C8P C9P C10P -3.1(19) . . . . ?
C2P N1P C6P C5P -6(2) . . . . ?
C2P C3P C4P C5P 4(3) . . . . ?
N1P C6P C5P C4P 12(3) . . . . ?
C3P C4P C5P C6P -11(3) . . . . ?
C21F C35F C36F C37F -177.3(18) . . . . ?
C28E C38E C39E C40E -166.9(13) . . . . ?
C14C C32C C33C C34C -175.4(19) . . . . ?
C21C C35C C36C C37C -158.8(19) . . . . ?
C8P N2P C12P C11P 1(4) . . . . ?
C8P C9P C10P C11P 6(3) . . . . ?
C9P C10P C11P C12P -5(4) . . . . ?
N2P C12P C11P C10P 2(5) . . . . ?
C14E C32E C33E C34E 70(2) . . . . ?

_refine_diff_density_max         1.952
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.150


_diffrn_standards_decay_%        0.0



