# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2019

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

data_PHI-1
_database_code_depnum_ccdc_archive 'CCDC 1915476'
loop_
_audit_author_name
_audit_author_address
'Patricio Hermosilla-Ibanez'
;Universidad de Santiago de Chile
Chile
;
_audit_update_record             
;
2019-05-11 deposited with the CCDC.	2019-07-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         K4(H3O)5(V12B18O60H6)12.5H2O
_chemical_formula_sum            'H68 B36 K8 O145 V24'
_chemical_formula_weight         4244.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   20.5946(18)
_cell_length_b                   17.0697(18)
_cell_length_c                   19.444(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.231(2)
_cell_angle_gamma                90
_cell_volume                     6830.1(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    999
_cell_measurement_theta_min      5.152
_cell_measurement_theta_max      55.013

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_F_000             4088
_exptl_transmission_factor_min   0.522
_exptl_transmission_factor_max   0.616
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_absorpt_coefficient_mu    1.937
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26217
_diffrn_reflns_av_unetI/netI     0.0181
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.550
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6703
_reflns_number_gt                6296
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1097P)²+150.3010P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6703
_refine_ls_number_parameters     544
_refine_ls_number_restraints     114
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0897
_refine_ls_wR_factor_ref         0.2497
_refine_ls_wR_factor_gt          0.2473
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_restrained_S_all      1.184
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
V1 V 0.33421(6) 0.43881(7) 0.46520(7) 0.0305(3) Uani 1 1 d . . . . .
V2 V 0.35182(6) 0.36792(9) 0.60701(7) 0.0339(4) Uani 1 1 d . . . . .
V3 V 0.32268(6) 0.21711(9) 0.67871(6) 0.0348(4) Uani 1 1 d . . . . .
V4 V 0.19329(6) 0.29989(7) 0.66413(6) 0.0246(3) Uani 1 1 d . . . . .
V5 V 0.09295(6) 0.33615(7) 0.55309(7) 0.0261(3) Uani 1 1 d . . . . .
V6 V 0.20151(6) 0.44615(7) 0.52412(7) 0.0302(3) Uani 1 1 d . . . . .
B1 B 0.4449(4) 0.2285(7) 0.5908(5) 0.044(2) Uani 1 1 d . . . . .
B2 B 0.2866(5) 0.0494(6) 0.6334(5) 0.039(2) Uani 1 1 d . . . . .
B3 B 0.1951(4) 0.1213(5) 0.6831(5) 0.0320(19) Uani 1 1 d . . . . .
B4 B 0.0504(4) 0.1713(6) 0.5039(5) 0.037(2) Uani 1 1 d . . . . .
B5 B 0.1041(5) 0.4042(7) 0.4062(5) 0.043(3) Uani 1 1 d . . . . .
B6 B 0.1205(7) 0.5404(9) 0.3696(8) 0.070(4) Uani 1 1 d . . . . .
B7 B 0.4029(5) 0.3551(7) 0.2493(6) 0.045(2) Uani 1 1 d . . . . .
B8 B 0.4091(4) 0.3258(5) 0.3750(4) 0.0263(16) Uani 1 1 d . . . . .
B9 B -0.0302(7) 0.1693(11) 0.4082(9) 0.074(4) Uani 1 1 d . U . . .
O1 O 0.3545(2) 0.3844(3) 0.3773(3) 0.0288(11) Uani 1 1 d . . . . .
O2 O 0.2437(3) 0.4457(3) 0.4356(3) 0.0336(12) Uani 1 1 d . . . . .
O3 O 0.2922(3) 0.4332(3) 0.5536(3) 0.0335(12) Uani 1 1 d . . . . .
O4 O 0.3906(3) 0.3693(3) 0.5165(3) 0.0341(12) Uani 1 1 d . . . . .
O5 O 0.3693(4) 0.5237(4) 0.4610(4) 0.060(2) Uani 1 1 d . . . . .
O6 O 0.3859(3) 0.2616(4) 0.6190(3) 0.0389(13) Uani 1 1 d . . . . .
O7 O 0.2855(3) 0.3205(3) 0.6611(3) 0.0323(12) Uani 1 1 d . . . . .
O8 O 0.3919(4) 0.4261(5) 0.6592(4) 0.060(2) Uani 1 1 d . . . . .
O9 O 0.2298(3) 0.1956(3) 0.6764(3) 0.0308(11) Uani 1 1 d . . . . .
O10 O 0.3526(4) 0.2176(6) 0.7571(3) 0.069(2) Uani 1 1 d . . . . .
O11 O 0.3391(3) 0.1107(4) 0.6392(3) 0.0370(13) Uani 1 1 d . . . . .
O12 O 0.1188(2) 0.2531(3) 0.6154(3) 0.0250(10) Uani 1 1 d . . . . .
O13 O 0.1712(3) 0.3801(3) 0.5968(3) 0.0296(11) Uani 1 1 d . . . . .
O14 O 0.1701(4) 0.3321(4) 0.7377(3) 0.0520(17) Uani 1 1 d . . . . .
O15 O 0.0566(2) 0.2573(3) 0.4854(3) 0.0333(12) Uani 1 1 d . . . . .
O16 O 0.1280(3) 0.3956(3) 0.4782(3) 0.0329(12) Uani 1 1 d . . . . .
O17 O 0.0317(3) 0.3821(4) 0.5828(4) 0.0458(16) Uani 1 1 d . . . . .
O18 O 0.1793(4) 0.5345(4) 0.5410(4) 0.058(2) Uani 1 1 d . . . . .
O19 O 0.4381(3) 0.3287(3) 0.3060(3) 0.0391(14) Uani 1 1 d . . . . .
O20 O 0.3405(3) 0.3795(4) 0.2524(3) 0.0454(16) Uani 1 1 d . . . . .
O21 O 0.4310(4) 0.3573(5) 0.1863(4) 0.066(2) Uani 1 1 d . . . . .
O22 O 0.5036(3) 0.2682(6) 0.6228(4) 0.070(3) Uani 1 1 d . . . . .
O23 O 0.2392(3) 0.0572(3) 0.6849(3) 0.0398(14) Uani 1 1 d . . . . .
O24 O 0.0398(2) 0.1599(3) 0.5753(3) 0.0338(12) Uani 1 1 d . . . . .
O25 O -0.0062(3) 0.1370(5) 0.4664(4) 0.0559(19) Uani 1 1 d . . . . .
O26 O 0.0497(3) 0.3527(5) 0.3914(3) 0.0488(17) Uani 1 1 d . . . . .
O27 O 0.0806(3) 0.4858(5) 0.3952(4) 0.063(2) Uani 1 1 d . . . . .
O28 O 0.0964(5) 0.6166(6) 0.3583(7) 0.102(3) Uani 1 1 d . U . . .
O29 O 0.1834(4) 0.5290(4) 0.3559(4) 0.059(2) Uani 1 1 d . . . . .
O30 O -0.0856(6) 0.1391(8) 0.3772(6) 0.110(4) Uani 1 1 d . U . . .
O100 O 0.250000 0.750000 0.000000 0.144(8) Uani 1 2 d S . P . .
O1W O 0.4828(18) 0.001(2) 0.7839(17) 0.128(11) Uani 0.4 1 d . U P . .
O2W O 0.2114(8) 0.0800(9) 0.8727(8) 0.142(5) Uani 1 1 d . U . . .
O3W O 0.5201(7) 0.8131(9) 0.2416(10) 0.143(6) Uani 1 1 d . U . . .
O4W O 0.500000 0.6904(18) 0.250000 0.108(8) Uani 0.6 2 d S TU P . .
O5W O 0.500000 0.5282(18) 0.250000 0.106(8) Uani 0.6 2 d S TU P . .
O6W O 0.4072(15) 0.747(2) 0.5551(15) 0.059(7) Uani 0.25 1 d . U P . .
O7W O 0.2635(12) 0.3446(13) 0.9720(13) 0.104(7) Uani 0.5 1 d . U P . .
O8W O 0.000000 0.3232(12) 0.750000 0.125(6) Uani 1 2 d S TU P . .
O9W O 0.2158(16) 0.741(2) 0.3567(16) 0.142(10) Uani 0.5 1 d . U P . .
O10W O 0.1822(12) 0.3011(13) 0.0826(13) 0.104(7) Uani 0.5 1 d . U P . .
O11W O 0.3874(16) 0.692(2) 0.5526(17) 0.065(8) Uani 0.25 1 d . U P . .
O12W O 0.4436(19) 0.108(2) 0.817(2) 0.080(10) Uani 0.25 1 d . U P . .
K1 K 0.0343(5) 0.5381(6) 0.5247(6) 0.132(3) Uani 0.5 1 d . U P . .
K2 K 0.4666(6) 0.5285(6) 0.5774(6) 0.145(4) Uani 0.5 1 d . U P . .
K3 K 0.3089(5) 0.4093(6) 0.7888(4) 0.114(3) Uani 0.5 1 d . U P . .
K4 K 0.3358(5) 0.0118(6) 0.7991(5) 0.125(3) Uani 0.5 1 d . U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
V1 O5 1.623(6) . ?
V1 O4 1.914(6) . ?
V1 O2 1.933(6) . ?
V1 O3 1.957(5) . ?
V1 O1 2.003(5) . ?
V1 V6 3.0068(18) . ?
V1 V2 3.020(2) . ?
V1 K2 3.752(11) . ?
V2 O8 1.623(6) . ?
V2 O3 1.931(6) . ?
V2 O7 1.934(6) . ?
V2 O6 1.956(7) . ?
V2 O4 1.960(6) . ?
V2 V3 2.999(2) . ?
V2 K2 3.680(8) . ?
V2 K3 3.744(9) . ?
V3 O10 1.621(7) . ?
V3 O6 1.933(6) . ?
V3 O9 1.946(5) . ?
V3 O7 1.948(6) . ?
V3 O11 2.006(7) . ?
V3 V4 3.0199(19) . ?
V3 K3 3.933(9) . ?
V4 O14 1.622(6) . ?
V4 O7 1.935(5) . ?
V4 O13 1.935(5) . ?
V4 O12 1.944(5) . ?
V4 O9 1.944(6) . ?
V4 V5 2.9944(18) . ?
V4 K4 3.741(10) 4_556 ?
V4 K3 3.818(9) . ?
V5 O17 1.612(5) . ?
V5 O12 1.926(5) . ?
V5 O16 1.938(5) . ?
V5 O13 1.943(6) . ?
V5 O15 2.006(6) . ?
V5 V6 2.9898(17) . ?
V5 K1 3.668(9) 5_566 ?
V5 K1 3.688(10) . ?
V6 O18 1.613(6) . ?
V6 O13 1.931(5) . ?
V6 O16 1.932(6) . ?
V6 O3 1.945(6) . ?
V6 O2 1.958(5) . ?
V6 K4 3.724(9) 4_556 ?
V6 K1 3.785(9) . ?
B1 O26 1.431(14) 7_556 ?
B1 O6 1.465(12) . ?
B1 O22 1.500(11) . ?
B1 O15 1.502(11) 7_556 ?
B2 O23 1.431(10) . ?
B2 O2 1.461(12) 7_556 ?
B2 O29 1.484(10) 7_556 ?
B2 O11 1.505(13) . ?
B2 K4 3.400(14) . ?
B2 K3 3.480(13) 4_546 ?
B3 O23 1.421(10) . ?
B3 O9 1.465(11) . ?
B3 O20 1.479(9) 7_556 ?
B3 O1 1.530(11) 7_556 ?
B4 O24 1.428(12) . ?
B4 O4 1.466(11) 7_556 ?
B4 O25 1.472(11) . ?
B4 O15 1.517(11) . ?
B4 K2 3.340(13) 3_445 ?
B5 O26 1.444(14) . ?
B5 O16 1.473(12) . ?
B5 O27 1.488(12) . ?
B5 O11 1.515(10) 7_556 ?
B5 K1 3.346(12) 5_566 ?
B5 K1 3.587(15) . ?
B6 O29 1.347(15) . ?
B6 O27 1.350(17) . ?
B6 O28 1.406(14) . ?
B6 K4 3.550(19) 7_556 ?
B6 K1 3.558(17) . ?
B7 O20 1.353(12) . ?
B7 O19 1.373(14) . ?
B7 O21 1.376(11) . ?
B8 O24 1.423(10) 7_556 ?
B8 O12 1.478(9) 7_556 ?
B8 O19 1.491(9) . ?
B8 O1 1.506(10) . ?
B9 O25 1.336(18) . ?
B9 O22 1.351(17) 7_556 ?
B9 O30 1.372(16) . ?
O4 K2 3.332(10) . ?
O5 K2 2.965(16) . ?
O7 K3 2.932(10) . ?
O8 K2 2.854(12) . ?
O8 K3 3.113(12) . ?
O13 K4 3.033(11) 4_556 ?
O14 K4 3.153(13) 4_556 ?
O14 K3 3.266(12) . ?
O16 K1 3.255(10) . ?
O17 K1 2.800(12) 5_566 ?
O17 K1 2.894(12) . ?
O18 K1 2.991(13) . ?
O18 K4 3.160(12) 4_556 ?
O21 K2 2.989(12) 6_565 ?
O23 K3 2.768(11) 4_546 ?
O23 K4 3.024(12) . ?
O24 K2 2.702(9) 3_445 ?
O25 K2 2.914(13) 3_445 ?
O25 K2 3.072(13) 7_556 ?
O26 K1 3.057(12) 5_566 ?
O27 K1 2.870(13) . ?
O27 K1 2.913(11) 5_566 ?
O29 K4 3.103(13) 7_556 ?
O29 K3 3.123(12) 6_565 ?
O30 K3 2.839(14) 8_455 ?
O1W O1W 1.52(7) 2_656 ?
O1W K4 3.06(4) . ?
O2W K4 3.20(2) . ?
O3W O3W 0.90(3) 2_655 ?
O6W O11W 1.02(4) . ?
O11W K2 3.26(4) . ?
O12W K4 2.77(4) . ?
O12W K1 3.32(4) 4_546 ?
K1 K1 2.12(2) 5_566 ?
K2 K2 3.50(2) 5_666 ?
K3 K4 3.804(13) 4_556 ?

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
O5 V1 O4 108.5(4) . . ?
O5 V1 O2 110.9(4) . . ?
O4 V1 O2 138.7(2) . . ?
O5 V1 O3 107.5(3) . . ?
O4 V1 O3 78.0(2) . . ?
O2 V1 O3 79.1(2) . . ?
O5 V1 O1 105.3(3) . . ?
O4 V1 O1 90.8(2) . . ?
O2 V1 O1 90.3(2) . . ?
O3 V1 O1 147.2(2) . . ?
O5 V1 V6 113.3(3) . . ?
O4 V1 V6 111.66(17) . . ?
O2 V1 V6 39.70(16) . . ?
O3 V1 V6 39.45(18) . . ?
O1 V1 V6 124.57(16) . . ?
O5 V1 V2 111.5(3) . . ?
O4 V1 V2 39.34(17) . . ?
O2 V1 V2 112.10(16) . . ?
O3 V1 V2 38.72(18) . . ?
O1 V1 V2 124.82(16) . . ?
V6 V1 V2 75.37(5) . . ?
O5 V1 K2 49.4(4) . . ?
O4 V1 K2 62.5(3) . . ?
O2 V1 K2 145.0(3) . . ?
O3 V1 K2 81.1(2) . . ?
O1 V1 K2 120.9(2) . . ?
V6 V1 K2 114.34(16) . . ?
V2 V1 K2 64.79(17) . . ?
O8 V2 O3 106.3(4) . . ?
O8 V2 O7 105.6(3) . . ?
O3 V2 O7 95.0(2) . . ?
O8 V2 O6 108.8(4) . . ?
O3 V2 O6 144.8(2) . . ?
O7 V2 O6 78.7(2) . . ?
O8 V2 O4 109.8(3) . . ?
O3 V2 O4 77.5(2) . . ?
O7 V2 O4 144.5(2) . . ?
O6 V2 O4 87.8(2) . . ?
O8 V2 V3 109.9(3) . . ?
O3 V2 V3 127.65(16) . . ?
O7 V2 V3 39.57(18) . . ?
O6 V2 V3 39.25(17) . . ?
O4 V2 V3 121.54(18) . . ?
O8 V2 V1 111.5(3) . . ?
O3 V2 V1 39.35(16) . . ?
O7 V2 V1 127.06(17) . . ?
O6 V2 V1 120.70(18) . . ?
O4 V2 V1 38.23(18) . . ?
V3 V2 V1 138.52(6) . . ?
O8 V2 K2 47.7(3) . . ?
O3 V2 K2 83.4(3) . . ?
O7 V2 K2 150.3(2) . . ?
O6 V2 K2 118.7(3) . . ?
O4 V2 K2 64.2(2) . . ?
V3 V2 K2 148.6(2) . . ?
V1 V2 K2 67.3(2) . . ?
O8 V2 K3 55.1(3) . . ?
O3 V2 K3 103.3(2) . . ?
O7 V2 K3 50.8(2) . . ?
O6 V2 K3 99.1(2) . . ?
O4 V2 K3 164.7(2) . . ?
V3 V2 K3 70.37(16) . . ?
V1 V2 K3 139.65(15) . . ?
K2 V2 K3 100.6(2) . . ?
O10 V3 O6 108.8(4) . . ?
O10 V3 O9 111.1(3) . . ?
O6 V3 O9 138.1(2) . . ?
O10 V3 O7 107.0(4) . . ?
O6 V3 O7 78.9(3) . . ?
O9 V3 O7 77.8(2) . . ?
O10 V3 O11 107.5(4) . . ?
O6 V3 O11 89.9(3) . . ?
O9 V3 O11 90.0(2) . . ?
O7 V3 O11 145.5(2) . . ?
O10 V3 V2 110.9(4) . . ?
O6 V3 V2 39.8(2) . . ?
O9 V3 V2 111.43(17) . . ?
O7 V3 V2 39.23(16) . . ?
O11 V3 V2 124.01(16) . . ?
O10 V3 V4 112.8(3) . . ?
O6 V3 V4 111.85(19) . . ?
O9 V3 V4 39.05(17) . . ?
O7 V3 V4 38.79(16) . . ?
O11 V3 V4 123.27(17) . . ?
V2 V3 V4 75.32(5) . . ?
O10 V3 K3 61.1(4) . . ?
O6 V3 K3 93.6(3) . . ?
O9 V3 K3 94.5(2) . . ?
O7 V3 K3 45.9(2) . . ?
O11 V3 K3 168.7(2) . . ?
V2 V3 K3 63.71(16) . . ?
V4 V3 K3 65.08(13) . . ?
O14 V4 O7 106.7(3) . . ?
O14 V4 O13 106.7(3) . . ?
O7 V4 O13 93.2(2) . . ?
O14 V4 O12 108.4(3) . . ?
O7 V4 O12 144.8(2) . . ?
O13 V4 O12 78.5(2) . . ?
O14 V4 O9 109.1(3) . . ?
O7 V4 O9 78.1(2) . . ?
O13 V4 O9 144.1(2) . . ?
O12 V4 O9 88.7(2) . . ?
O14 V4 V5 110.3(3) . . ?
O7 V4 V5 126.28(17) . . ?
O13 V4 V5 39.57(16) . . ?
O12 V4 V5 39.10(14) . . ?
O9 V4 V5 122.04(17) . . ?
O14 V4 V3 111.4(3) . . ?
O7 V4 V3 39.10(18) . . ?
O13 V4 V3 125.26(16) . . ?
O12 V4 V3 122.01(15) . . ?
O9 V4 V3 39.09(16) . . ?
V5 V4 V3 138.25(5) . . ?
O14 V4 K4 56.6(3) . 4_556 ?
O7 V4 K4 89.7(3) . 4_556 ?
O13 V4 K4 53.9(2) . 4_556 ?
O12 V4 K4 111.2(2) . 4_556 ?
O9 V4 K4 157.9(2) . 4_556 ?
V5 V4 K4 80.02(16) . 4_556 ?
V3 V4 K4 125.60(18) . 4_556 ?
O14 V4 K3 58.1(3) . . ?
O7 V4 K3 48.8(2) . . ?
O13 V4 K3 102.0(2) . . ?
O12 V4 K3 166.3(2) . . ?
O9 V4 K3 98.1(2) . . ?
V5 V4 K3 138.80(15) . . ?
V3 V4 K3 69.09(14) . . ?
K4 V4 K3 60.4(2) 4_556 . ?
O17 V5 O12 109.6(3) . . ?
O17 V5 O16 109.5(3) . . ?
O12 V5 O16 139.2(2) . . ?
O17 V5 O13 107.7(3) . . ?
O12 V5 O13 78.7(2) . . ?
O16 V5 O13 78.5(2) . . ?
O17 V5 O15 106.5(3) . . ?
O12 V5 O15 90.3(2) . . ?
O16 V5 O15 89.9(2) . . ?
O13 V5 O15 145.8(2) . . ?
O17 V5 V6 111.3(2) . . ?
O12 V5 V6 112.98(15) . . ?
O16 V5 V6 39.34(18) . . ?
O13 V5 V6 39.33(15) . . ?
O15 V5 V6 124.06(15) . . ?
O17 V5 V4 111.7(3) . . ?
O12 V5 V4 39.52(15) . . ?
O16 V5 V4 112.58(17) . . ?
O13 V5 V4 39.37(16) . . ?
O15 V5 V4 124.29(17) . . ?
V6 V5 V4 76.44(5) . . ?
O17 V5 K1 46.0(3) . 5_566 ?
O12 V5 K1 149.9(2) . 5_566 ?
O16 V5 K1 70.4(2) . 5_566 ?
O13 V5 K1 121.5(3) . 5_566 ?
O15 V5 K1 83.1(3) . 5_566 ?
V6 V5 K1 94.72(18) . 5_566 ?
V4 V5 K1 151.7(2) . 5_566 ?
O17 V5 K1 48.8(3) . . ?
O12 V5 K1 149.7(2) . . ?
O16 V5 K1 61.8(2) . . ?
O13 V5 K1 88.1(2) . . ?
O15 V5 K1 114.7(3) . . ?
V6 V5 K1 68.14(16) . . ?
V4 V5 K1 120.94(19) . . ?
K1 V5 K1 33.5(4) 5_566 . ?
O18 V6 O13 107.2(3) . . ?
O18 V6 O16 106.7(4) . . ?
O13 V6 O16 78.9(2) . . ?
O18 V6 O3 108.8(4) . . ?
O13 V6 O3 92.9(2) . . ?
O16 V6 O3 144.4(2) . . ?
O18 V6 O2 108.8(3) . . ?
O13 V6 O2 143.9(2) . . ?
O16 V6 O2 87.6(2) . . ?
O3 V6 O2 78.7(2) . . ?
O18 V6 V5 109.2(3) . . ?
O13 V6 V5 39.64(17) . . ?
O16 V6 V5 39.48(15) . . ?
O3 V6 V5 126.14(17) . . ?
O2 V6 V5 121.59(18) . . ?
O18 V6 V1 112.7(2) . . ?
O13 V6 V1 125.36(17) . . ?
O16 V6 V1 120.87(16) . . ?
O3 V6 V1 39.75(16) . . ?
O2 V6 V1 39.08(18) . . ?
V5 V6 V1 137.99(5) . . ?
O18 V6 K4 57.3(3) . 4_556 ?
O13 V6 K4 54.3(2) . 4_556 ?
O16 V6 K4 112.0(2) . 4_556 ?
O3 V6 K4 89.6(2) . 4_556 ?
O2 V6 K4 158.0(3) . 4_556 ?
V5 V6 K4 80.35(19) . 4_556 ?
V1 V6 K4 125.99(19) . 4_556 ?
O18 V6 K1 49.2(3) . . ?
O13 V6 K1 85.4(2) . . ?
O16 V6 K1 59.3(3) . . ?
O3 V6 K1 155.4(2) . . ?
O2 V6 K1 116.1(2) . . ?
V5 V6 K1 64.72(17) . . ?
V1 V6 K1 149.19(16) . . ?
K4 V6 K1 69.6(2) 4_556 . ?
O26 B1 O6 110.0(8) 7_556 . ?
O26 B1 O22 106.5(8) 7_556 . ?
O6 B1 O22 109.7(9) . . ?
O26 B1 O15 113.2(9) 7_556 7_556 ?
O6 B1 O15 108.8(7) . 7_556 ?
O22 B1 O15 108.7(7) . 7_556 ?
O23 B2 O2 111.0(7) . 7_556 ?
O23 B2 O29 106.1(6) . 7_556 ?
O2 B2 O29 109.9(8) 7_556 7_556 ?
O23 B2 O11 113.0(8) . . ?
O2 B2 O11 107.9(6) 7_556 . ?
O29 B2 O11 108.8(7) 7_556 . ?
O23 B2 K4 62.7(5) . . ?
O2 B2 K4 169.3(6) 7_556 . ?
O29 B2 K4 65.8(5) 7_556 . ?
O11 B2 K4 82.8(5) . . ?
O23 B2 K3 49.3(4) . 4_546 ?
O2 B2 K3 102.2(6) 7_556 4_546 ?
O29 B2 K3 63.8(4) 7_556 4_546 ?
O11 B2 K3 149.5(6) . 4_546 ?
K4 B2 K3 67.1(3) . 4_546 ?
O23 B3 O9 110.8(7) . . ?
O23 B3 O20 108.1(6) . 7_556 ?
O9 B3 O20 110.1(7) . 7_556 ?
O23 B3 O1 112.2(7) . 7_556 ?
O9 B3 O1 107.5(6) . 7_556 ?
O20 B3 O1 108.2(6) 7_556 7_556 ?
O24 B4 O4 111.0(8) . 7_556 ?
O24 B4 O25 106.1(7) . . ?
O4 B4 O25 109.1(7) 7_556 . ?
O24 B4 O15 112.3(7) . . ?
O4 B4 O15 108.3(6) 7_556 . ?
O25 B4 O15 109.9(8) . . ?
O24 B4 K2 51.8(4) . 3_445 ?
O4 B4 K2 102.6(6) 7_556 3_445 ?
O25 B4 K2 60.6(5) . 3_445 ?
O15 B4 K2 148.9(6) . 3_445 ?
O26 B5 O16 110.9(7) . . ?
O26 B5 O27 107.3(7) . . ?
O16 B5 O27 108.9(9) . . ?
O26 B5 O11 113.2(9) . 7_556 ?
O16 B5 O11 107.4(6) . 7_556 ?
O27 B5 O11 109.1(7) . 7_556 ?
O26 B5 K1 66.0(5) . 5_566 ?
O16 B5 K1 84.6(5) . 5_566 ?
O27 B5 K1 60.4(4) . 5_566 ?
O11 B5 K1 166.7(6) 7_556 5_566 ?
O26 B5 K1 100.9(5) . . ?
O16 B5 K1 65.1(5) . . ?
O27 B5 K1 50.1(5) . . ?
O11 B5 K1 145.0(7) 7_556 . ?
K1 B5 K1 35.4(4) 5_566 . ?
O29 B6 O27 125.2(10) . . ?
O29 B6 O28 116.1(12) . . ?
O27 B6 O28 118.7(11) . . ?
O29 B6 K4 60.0(8) . 7_556 ?
O27 B6 K4 110.2(10) . 7_556 ?
O28 B6 K4 100.8(9) . 7_556 ?
O29 B6 K1 133.0(9) . . ?
O27 B6 K1 49.4(7) . . ?
O28 B6 K1 87.6(8) . . ?
K4 B6 K1 158.9(6) 7_556 . ?
O20 B7 O19 122.6(8) . . ?
O20 B7 O21 117.7(10) . . ?
O19 B7 O21 119.7(9) . . ?
O24 B8 O12 110.5(6) 7_556 7_556 ?
O24 B8 O19 107.1(6) 7_556 . ?
O12 B8 O19 108.4(6) 7_556 . ?
O24 B8 O1 113.5(6) 7_556 . ?
O12 B8 O1 107.8(5) 7_556 . ?
O19 B8 O1 109.3(6) . . ?
O25 B9 O22 124.1(10) . 7_556 ?
O25 B9 O30 119.4(12) . . ?
O22 B9 O30 116.5(14) 7_556 . ?
B8 O1 B3 114.3(6) . 7_556 ?
B8 O1 V1 121.0(5) . . ?
B3 O1 V1 121.9(4) 7_556 . ?
B2 O2 V1 130.5(5) 7_556 . ?
B2 O2 V6 128.3(5) 7_556 . ?
V1 O2 V6 101.2(3) . . ?
V2 O3 V6 143.8(3) . . ?
V2 O3 V1 101.9(3) . . ?
V6 O3 V1 100.8(3) . . ?
B4 O4 V1 130.1(6) 7_556 . ?
B4 O4 V2 127.4(6) 7_556 . ?
V1 O4 V2 102.4(3) . . ?
B4 O4 K2 95.7(5) 7_556 . ?
V1 O4 K2 86.9(3) . . ?
V2 O4 K2 83.9(3) . . ?
V1 O5 K2 106.0(4) . . ?
B1 O6 V3 131.3(6) . . ?
B1 O6 V2 127.8(6) . . ?
V3 O6 V2 100.9(3) . . ?
V2 O7 V4 143.8(3) . . ?
V2 O7 V3 101.2(3) . . ?
V4 O7 V3 102.1(3) . . ?
V2 O7 K3 98.5(3) . . ?
V4 O7 K3 101.4(3) . . ?
V3 O7 K3 105.6(3) . . ?
V2 O8 K2 107.4(4) . . ?
V2 O8 K3 99.7(3) . . ?
K2 O8 K3 146.4(4) . . ?
B3 O9 V4 128.0(5) . . ?
B3 O9 V3 130.1(5) . . ?
V4 O9 V3 101.9(3) . . ?
B2 O11 B5 114.2(7) . 7_556 ?
B2 O11 V3 121.8(5) . . ?
B5 O11 V3 121.3(6) 7_556 . ?
B8 O12 V5 130.6(5) 7_556 . ?
B8 O12 V4 128.0(5) 7_556 . ?
V5 O12 V4 101.4(2) . . ?
V6 O13 V4 146.5(3) . . ?
V6 O13 V5 101.0(3) . . ?
V4 O13 V5 101.1(2) . . ?
V6 O13 K4 94.6(3) . 4_556 ?
V4 O13 K4 95.1(3) . 4_556 ?
V5 O13 K4 121.2(3) . 4_556 ?
V4 O14 K4 98.0(3) . 4_556 ?
V4 O14 K3 96.9(3) . . ?
K4 O14 K3 72.7(3) 4_556 . ?
B1 O15 B4 113.0(7) 7_556 . ?
B1 O15 V5 122.1(6) 7_556 . ?
B4 O15 V5 121.8(5) . . ?
B5 O16 V6 128.5(5) . . ?
B5 O16 V5 130.3(6) . . ?
V6 O16 V5 101.2(3) . . ?
B5 O16 K1 90.6(5) . . ?
V6 O16 K1 90.0(3) . . ?
V5 O16 K1 86.6(2) . . ?
V5 O17 K1 109.5(4) . 5_566 ?
V5 O17 K1 106.4(3) . . ?
K1 O17 K1 43.7(5) 5_566 . ?
V6 O18 K1 106.7(4) . . ?
V6 O18 K4 97.2(4) . 4_556 ?
K1 O18 K4 88.3(3) . 4_556 ?
B7 O19 B8 121.1(6) . . ?
B7 O20 B3 122.6(7) . 7_556 ?
B7 O21 K2 140.5(7) . 6_565 ?
B9 O22 B1 120.4(9) 7_556 . ?
B3 O23 B2 120.5(6) . . ?
B3 O23 K3 118.3(5) . 4_546 ?
B2 O23 K3 107.6(6) . 4_546 ?
B3 O23 K4 128.1(6) . . ?
B2 O23 K4 92.4(5) . . ?
K3 O23 K4 82.0(3) 4_546 . ?
B8 O24 B4 120.0(6) 7_556 . ?
B8 O24 K2 122.0(5) 7_556 3_445 ?
B4 O24 K2 103.6(5) . 3_445 ?
B9 O25 B4 120.9(9) . . ?
B9 O25 K2 144.5(7) . 3_445 ?
B4 O25 K2 93.3(6) . 3_445 ?
B9 O25 K2 103.8(9) . 7_556 ?
B4 O25 K2 106.8(6) . 7_556 ?
K2 O25 K2 71.4(4) 3_445 7_556 ?
B1 O26 B5 119.2(6) 7_556 . ?
B1 O26 K1 120.1(6) 7_556 5_566 ?
B5 O26 K1 88.5(6) . 5_566 ?
B6 O27 B5 120.1(8) . . ?
B6 O27 K1 109.6(9) . . ?
B5 O27 K1 106.4(6) . . ?
B6 O27 K1 144.3(8) . 5_566 ?
B5 O27 K1 93.3(5) . 5_566 ?
K1 O27 K1 43.1(5) . 5_566 ?
B6 O29 B2 120.1(8) . 7_556 ?
B6 O29 K4 97.9(9) . 7_556 ?
B2 O29 K4 88.3(6) 7_556 7_556 ?
B6 O29 K3 148.4(7) . 6_565 ?
B2 O29 K3 90.9(5) 7_556 6_565 ?
K4 O29 K3 75.3(3) 7_556 6_565 ?
B9 O30 K3 168.5(11) . 8_455 ?
O1W O1W K4 125(3) 2_656 . ?
O6W O11W K2 126(3) . . ?
K4 O12W K1 89.0(11) . 4_546 ?
K1 K1 O17 70.5(5) 5_566 5_566 ?
K1 K1 O27 69.6(6) 5_566 . ?
O17 K1 O27 70.4(3) 5_566 . ?
K1 K1 O17 65.8(5) 5_566 . ?
O17 K1 O17 136.3(5) 5_566 . ?
O27 K1 O17 93.9(4) . . ?
K1 K1 O27 67.4(5) 5_566 5_566 ?
O17 K1 O27 95.0(3) 5_566 5_566 ?
O27 K1 O27 136.9(5) . 5_566 ?
O17 K1 O27 68.5(3) . 5_566 ?
K1 K1 O18 132.8(6) 5_566 . ?
O17 K1 O18 122.9(4) 5_566 . ?
O27 K1 O18 73.8(3) . . ?
O17 K1 O18 88.5(3) . . ?
O27 K1 O18 140.3(4) 5_566 . ?
K1 K1 O26 103.6(5) 5_566 5_566 ?
O17 K1 O26 80.4(3) 5_566 5_566 ?
O27 K1 O26 150.7(4) . 5_566 ?
O17 K1 O26 109.5(3) . 5_566 ?
O27 K1 O26 46.5(3) 5_566 5_566 ?
O18 K1 O26 122.6(5) . 5_566 ?
K1 K1 O16 78.9(5) 5_566 . ?
O17 K1 O16 115.6(4) 5_566 . ?
O27 K1 O16 45.8(2) . . ?
O17 K1 O16 56.0(2) . . ?
O27 K1 O16 123.1(4) 5_566 . ?
O18 K1 O16 54.1(2) . . ?
O26 K1 O16 163.3(4) 5_566 . ?
K1 K1 O12W 134.9(9) 5_566 4_556 ?
O17 K1 O12W 124.2(8) 5_566 4_556 ?
O27 K1 O12W 152.6(8) . 4_556 ?
O17 K1 O12W 88.5(7) . 4_556 ?
O27 K1 O12W 68.9(7) 5_566 4_556 ?
O18 K1 O12W 79.0(8) . 4_556 ?
O26 K1 O12W 49.1(7) 5_566 4_556 ?
O16 K1 O12W 117.8(7) . 4_556 ?
K1 K1 B5 78.5(5) 5_566 5_566 ?
O17 K1 B5 76.2(3) 5_566 5_566 ?
O27 K1 B5 139.6(5) . 5_566 ?
O17 K1 B5 94.9(3) . 5_566 ?
O27 K1 B5 26.4(2) 5_566 5_566 ?
O18 K1 B5 145.7(5) . 5_566 ?
O26 K1 B5 25.5(3) 5_566 5_566 ?
O16 K1 B5 148.8(4) . 5_566 ?
O12W K1 B5 67.0(7) 4_556 5_566 ?
K1 K1 B6 88.2(6) 5_566 . ?
O17 K1 B6 66.8(3) 5_566 . ?
O27 K1 B6 20.9(3) . . ?
O17 K1 B6 111.0(4) . . ?
O27 K1 B6 153.8(5) 5_566 . ?
O18 K1 B6 64.0(3) . . ?
O26 K1 B6 139.2(4) 5_566 . ?
O16 K1 B6 56.8(3) . . ?
O12W K1 B6 136.6(8) 4_556 . ?
B5 K1 B6 143.0(4) 5_566 . ?
K1 K1 B5 66.1(5) 5_566 . ?
O17 K1 B5 91.4(4) 5_566 . ?
O27 K1 B5 23.4(2) . . ?
O17 K1 B5 71.2(3) . . ?
O27 K1 B5 127.5(5) 5_566 . ?
O18 K1 B5 68.4(3) . . ?
O26 K1 B5 168.7(4) 5_566 . ?
O16 K1 B5 24.24(19) . . ?
O12W K1 B5 141.5(7) 4_556 . ?
B5 K1 B5 144.6(4) 5_566 . ?
B6 K1 B5 40.3(3) . . ?
O24 K2 O8 146.1(5) 3 . ?
O24 K2 O25 48.6(2) 3 3 ?
O8 K2 O25 157.7(6) . 3 ?
O24 K2 O5 111.8(5) 3 . ?
O8 K2 O5 92.6(3) . . ?
O25 K2 O5 66.2(3) 3 . ?
O24 K2 O21 67.8(3) 3 6_566 ?
O8 K2 O21 81.5(3) . 6_566 ?
O25 K2 O21 99.8(4) 3 6_566 ?
O5 K2 O21 112.4(5) . 6_566 ?
O24 K2 O25 127.2(4) 3 7_556 ?
O8 K2 O25 75.3(3) . 7_556 ?
O25 K2 O25 108.6(4) 3 7_556 ?
O5 K2 O25 86.6(3) . 7_556 ?
O21 K2 O25 150.6(5) 6_566 7_556 ?
O24 K2 O11W 64.1(7) 3 . ?
O8 K2 O11W 109.2(7) . . ?
O25 K2 O11W 57.0(7) 3 . ?
O5 K2 O11W 65.9(7) . . ?
O21 K2 O11W 53.9(6) 6_566 . ?
O25 K2 O11W 152.1(8) 7_556 . ?
O24 K2 O4 157.8(4) 3 . ?
O8 K2 O4 56.1(2) . . ?
O25 K2 O4 110.9(4) 3 . ?
O5 K2 O4 54.0(2) . . ?
O21 K2 O4 131.2(3) 6_566 . ?
O25 K2 O4 43.66(19) 7_556 . ?
O11W K2 O4 114.9(7) . . ?
O24 K2 B4 24.5(2) 3 3 ?
O8 K2 B4 169.9(4) . 3 ?
O25 K2 B4 26.1(2) 3 3 ?
O5 K2 B4 92.2(4) . 3 ?
O21 K2 B4 88.4(3) 6_566 3 ?
O25 K2 B4 113.9(4) 7_556 3 ?
O11W K2 B4 64.9(7) . 3 ?
O4 K2 B4 133.4(4) . 3 ?
O24 K2 K2 88.9(3) 3 5_666 ?
O8 K2 K2 123.2(4) . 5_666 ?
O25 K2 K2 56.4(3) 3 5_666 ?
O5 K2 K2 67.2(4) . 5_666 ?
O21 K2 K2 155.1(5) 6_566 5_666 ?
O25 K2 K2 52.2(3) 7_556 5_666 ?
O11W K2 K2 108.8(8) . 5_666 ?
O4 K2 K2 70.2(3) . 5_666 ?
B4 K2 K2 66.9(3) 3 5_666 ?
O24 K2 V2 169.2(4) 3 . ?
O8 K2 V2 24.88(15) . . ?
O25 K2 V2 137.1(4) 3 . ?
O5 K2 V2 71.3(2) . . ?
O21 K2 V2 101.4(3) 6_566 . ?
O25 K2 V2 62.41(19) 7_556 . ?
O11W K2 V2 109.9(7) . . ?
O4 K2 V2 31.98(12) . . ?
B4 K2 V2 163.0(5) 3 . ?
K2 K2 V2 101.7(3) 5_666 . ?
O24 K2 V1 136.3(5) 3 . ?
O8 K2 V1 71.2(2) . . ?
O25 K2 V1 89.2(3) 3 . ?
O5 K2 V1 24.57(14) . . ?
O21 K2 V1 119.0(4) 6_566 . ?
O25 K2 V1 70.0(2) 7_556 . ?
O11W K2 V1 85.1(7) . . ?
O4 K2 V1 30.62(14) . . ?
B4 K2 V1 115.1(4) 3 . ?
K2 K2 V1 71.8(3) 5_666 . ?
V2 K2 V1 47.94(11) . . ?
O23 K3 O30 115.1(4) 4_556 8_556 ?
O23 K3 O7 125.5(3) 4_556 . ?
O30 K3 O7 117.3(4) 8_556 . ?
O23 K3 O8 106.1(4) 4_556 . ?
O30 K3 O8 94.9(4) 8_556 . ?
O7 K3 O8 55.9(2) . . ?
O23 K3 O29 46.1(2) 4_556 6_566 ?
O30 K3 O29 118.1(4) 8_556 6_566 ?
O7 K3 O29 114.7(3) . 6_566 ?
O8 K3 O29 142.8(4) . 6_566 ?
O23 K3 O14 96.3(3) 4_556 . ?
O30 K3 O14 135.0(5) 8_556 . ?
O7 K3 O14 54.7(2) . . ?
O8 K3 O14 107.0(3) . . ?
O29 K3 O14 62.3(2) 6_566 . ?
O23 K3 B2 23.1(2) 4_556 4_556 ?
O30 K3 B2 111.6(4) 8_556 4_556 ?
O7 K3 B2 130.3(3) . 4_556 ?
O8 K3 B2 128.7(4) . 4_556 ?
O29 K3 B2 25.25(19) 6_566 4_556 ?
O14 K3 B2 84.7(3) . 4_556 ?
O23 K3 V2 116.5(3) 4_556 . ?
O30 K3 V2 108.3(4) 8_556 . ?
O7 K3 V2 30.72(14) . . ?
O8 K3 V2 25.29(13) . . ?
O29 K3 V2 133.4(3) 6_566 . ?
O14 K3 V2 82.7(2) . . ?
B2 K3 V2 134.3(3) 4_556 . ?
O23 K3 K4 51.9(2) 4_556 4_556 ?
O30 K3 K4 166.7(4) 8_556 4_556 ?
O7 K3 K4 76.0(2) . 4_556 ?
O8 K3 K4 92.3(3) . 4_556 ?
O29 K3 K4 52.1(3) 6_566 4_556 ?
O14 K3 K4 52.3(2) . 4_556 ?
B2 K3 K4 55.4(3) 4_556 4_556 ?
V2 K3 K4 82.7(2) . 4_556 ?
O23 K3 V4 110.2(3) 4_556 . ?
O30 K3 V4 133.3(4) 8_556 . ?
O7 K3 V4 29.79(14) . . ?
O8 K3 V4 83.1(2) . . ?
O29 K3 V4 85.7(3) 6_566 . ?
O14 K3 V4 24.94(12) . . ?
B2 K3 V4 105.3(3) 4_556 . ?
V2 K3 V4 58.19(12) . . ?
K4 K3 V4 58.8(2) 4_556 . ?
O23 K3 V3 153.6(3) 4_556 . ?
O30 K3 V3 91.0(3) 8_556 . ?
O7 K3 V3 28.48(14) . . ?
O8 K3 V3 65.3(2) . . ?
O29 K3 V3 126.0(3) 6_566 . ?
O14 K3 V3 65.1(2) . . ?
B2 K3 V3 149.8(3) 4_556 . ?
V2 K3 V3 45.91(10) . . ?
K4 K3 V3 102.2(2) 4_556 . ?
V4 K3 V3 45.83(10) . . ?
O12W K4 O23 116.1(9) . . ?
O12W K4 O13 114.5(9) . 4_546 ?
O23 K4 O13 129.2(4) . 4_546 ?
O12W K4 O1W 42.0(11) . . ?
O23 K4 O1W 124.7(7) . . ?
O13 K4 O1W 95.4(7) 4_546 . ?
O12W K4 O29 109.1(9) . 7_556 ?
O23 K4 O29 44.7(2) . 7_556 ?
O13 K4 O29 118.3(4) 4_546 7_556 ?
O1W K4 O29 89.0(7) . 7_556 ?
O12W K4 O14 129.0(9) . 4_546 ?
O23 K4 O14 93.7(3) . 4_546 ?
O13 K4 O14 55.1(2) 4_546 4_546 ?
O1W K4 O14 87.2(8) . 4_546 ?
O29 K4 O14 63.8(3) 7_556 4_546 ?
O12W K4 O18 85.0(9) . 4_546 ?
O23 K4 O18 127.1(4) . 4_546 ?
O13 K4 O18 54.9(2) 4_546 4_546 ?
O1W K4 O18 103.8(7) . 4_546 ?
O29 K4 O18 165.7(4) 7_556 4_546 ?
O14 K4 O18 109.8(3) 4_546 4_546 ?
O12W K4 O2W 112.2(9) . . ?
O23 K4 O2W 73.7(4) . . ?
O13 K4 O2W 84.9(4) 4_546 . ?
O1W K4 O2W 151.3(8) . . ?
O29 K4 O2W 116.2(4) 7_556 . ?
O14 K4 O2W 115.5(4) 4_546 . ?
O18 K4 O2W 53.5(3) 4_546 . ?
O12W K4 B2 102.4(9) . . ?
O23 K4 B2 24.9(2) . . ?
O13 K4 B2 138.7(4) 4_546 . ?
O1W K4 B2 100.3(7) . . ?
O29 K4 B2 25.9(2) 7_556 . ?
O14 K4 B2 87.8(3) 4_546 . ?
O18 K4 B2 150.7(5) 4_546 . ?
O2W K4 B2 98.1(4) . . ?
O12W K4 B6 92.0(9) . 7_556 ?
O23 K4 B6 64.5(3) . 7_556 ?
O13 K4 B6 116.8(4) 4_546 7_556 ?
O1W K4 B6 66.9(7) . 7_556 ?
O29 K4 B6 22.1(3) 7_556 7_556 ?
O14 K4 B6 63.5(3) 4_546 7_556 ?
O18 K4 B6 168.0(5) 4_546 7_556 ?
O2W K4 B6 137.8(5) . 7_556 ?
B2 K4 B6 41.3(3) . 7_556 ?
O12W K4 V6 104.8(9) . 4_546 ?
O23 K4 V6 127.0(4) . 4_546 ?
O13 K4 V6 31.11(13) 4_546 4_546 ?
O1W K4 V6 108.2(7) . 4_546 ?
O29 K4 V6 143.7(3) 7_556 4_546 ?
O14 K4 V6 84.8(2) 4_546 4_546 ?
O18 K4 V6 25.44(13) 4_546 4_546 ?
O2W K4 V6 60.0(3) . 4_546 ?
B2 K4 V6 150.0(4) . 4_546 ?
B6 K4 V6 147.8(4) 7_556 4_546 ?
O12W K4 V4 133.1(9) . 4_546 ?
O23 K4 V4 106.4(3) . 4_546 ?
O13 K4 V4 31.02(14) 4_546 4_546 ?
O1W K4 V4 97.4(7) . 4_546 ?
O29 K4 V4 87.3(3) 7_556 4_546 ?
O14 K4 V4 25.43(13) 4_546 4_546 ?
O18 K4 V4 84.7(2) 4_546 4_546 ?
O2W K4 V4 97.4(4) . 4_546 ?
B2 K4 V4 108.6(3) . 4_546 ?
B6 K4 V4 89.0(3) 7_556 4_546 ?
V6 K4 V4 59.47(14) 4_546 4_546 ?

_refine_diff_density_max         1.681
_refine_diff_density_min         -1.542
_refine_diff_density_rms         0.200

####################################################################### 
# 
# 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_PHI-2
_database_code_depnum_ccdc_archive 'CCDC 1915477'
loop_
_audit_author_name
_audit_author_address
'Patricio Hermosilla-Ibanez'
;Universidad de Santiago de Chile
Chile
;
_audit_update_record             
;
2019-05-11 deposited with the CCDC.	2019-07-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         K9(V12B18O60H6)19.5H2O
_chemical_formula_sum            'B36 K18 O159 V24'
_chemical_formula_weight         4859.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   22.469(2)
_cell_length_b                   18.076(2)
_cell_length_c                   16.8452(17)
_cell_angle_alpha                90
_cell_angle_beta                 98.239(2)
_cell_angle_gamma                90
_cell_volume                     6771.0(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    999
_cell_measurement_theta_min      4.507
_cell_measurement_theta_max      54.011

_exptl_crystal_description       polyhedron
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.384
_exptl_crystal_F_000             4692
_exptl_transmission_factor_min   0.611
_exptl_transmission_factor_max   0.871
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    2.277
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26529
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.452
_diffrn_reflns_theta_max         27.643
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7402
_reflns_number_gt                5867
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0421P)²+101.4567P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7402
_refine_ls_number_parameters     643
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0573
_refine_ls_wR_factor_ref         0.1405
_refine_ls_wR_factor_gt          0.1331
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_restrained_S_all      1.150
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
V1 V 0.58729(4) 0.29960(5) 0.94321(5) 0.0101(2) Uani 1 1 d . . . . .
V2 V 0.66906(4) 0.31205(5) 0.81745(5) 0.0100(2) Uani 1 1 d . . . . .
V3 V 0.79654(4) 0.26975(5) 0.79528(5) 0.0104(2) Uani 1 1 d . . . . .
V4 V 0.80936(4) 0.39919(5) 0.90699(5) 0.0109(2) Uani 1 1 d . . . . .
V5 V 0.80086(4) 0.43401(5) 1.07828(5) 0.0108(2) Uani 1 1 d . . . . .
V6 V 0.67240(4) 0.42153(5) 1.00281(5) 0.0109(2) Uani 1 1 d . . . . .
B1 B 0.8964(3) 0.0400(4) 0.8107(4) 0.0142(13) Uani 1 1 d . . . . .
B2 B 0.7980(3) 0.1015(3) 0.8158(4) 0.0126(12) Uani 1 1 d . . . . .
B3 B 0.8949(3) 0.1628(3) 0.8759(4) 0.0106(12) Uani 1 1 d . . . . .
B4 B 0.5819(3) 0.1313(3) 0.9657(4) 0.0126(12) Uani 1 1 d . U . . .
B5 B 0.6016(3) 0.1657(3) 0.8309(4) 0.0120(12) Uani 1 1 d . . . . .
B6 B 0.5957(3) 0.1627(4) 0.6824(4) 0.0145(13) Uani 1 1 d . . . . .
B7 B 0.6947(3) 0.1535(3) 0.7640(4) 0.0116(12) Uani 1 1 d . . . . .
B8 B 0.9182(3) 0.2952(3) 0.9062(4) 0.0100(12) Uani 1 1 d . . . . .
B9 B 0.5243(3) 0.0881(4) 1.0724(4) 0.0134(12) Uani 1 1 d . . . . .
O1 O 0.52085(17) 0.3307(2) 0.9090(2) 0.0159(8) Uani 1 1 d . . . . .
O2 O 0.63196(17) 0.3490(2) 0.7362(2) 0.0151(8) Uani 1 1 d . . . . .
O3 O 0.80938(17) 0.2922(2) 0.7061(2) 0.0164(8) Uani 1 1 d . . . . .
O4 O 0.83187(18) 0.4711(2) 0.8627(2) 0.0174(9) Uani 1 1 d . . . . .
O5 O 0.81977(17) 0.5191(2) 1.0997(2) 0.0151(8) Uani 1 1 d . . . . .
O6 O 0.63985(18) 0.5018(2) 0.9964(2) 0.0183(9) Uani 1 1 d . . . . .
O7 O 0.57484(16) 0.2062(2) 1.0032(2) 0.0105(8) Uani 1 1 d . . . . .
O8 O 0.61736(16) 0.3503(2) 1.0421(2) 0.0120(8) Uani 1 1 d . . . . .
O9 O 0.61587(16) 0.2422(2) 0.8591(2) 0.0115(8) Uani 1 1 d . . . . .
O10 O 0.64558(17) 0.3661(2) 0.9069(2) 0.0141(8) Uani 1 1 d . . . . .
O11 O 0.71672(16) 0.2274(2) 0.7880(2) 0.0126(8) Uani 1 1 d . . . . .
O12 O 0.74959(16) 0.3510(2) 0.8312(2) 0.0123(8) Uani 1 1 d . . . . .
O13 O 0.83484(16) 0.1705(2) 0.8217(2) 0.0112(8) Uani 1 1 d . . . . .
O14 O 0.85472(16) 0.3147(2) 0.8769(2) 0.0134(8) Uani 1 1 d . . . . .
O15 O 0.85551(16) 0.3916(2) 1.0135(2) 0.0132(8) Uani 1 1 d . . . . .
O16 O 0.75181(16) 0.4350(2) 0.9732(2) 0.0139(8) Uani 1 1 d . . . . .
O17 O 0.84008(16) 0.3756(2) 1.1723(2) 0.0107(8) Uani 1 1 d . . . . .
O18 O 0.72239(16) 0.4137(2) 1.1074(2) 0.0129(8) Uani 1 1 d . . . . .
O19 O 0.93320(16) 0.2259(2) 0.8729(2) 0.0123(8) Uani 1 1 d . . . . .
O20 O 0.74560(16) 0.1050(2) 0.7541(2) 0.0116(8) Uani 1 1 d . . . . .
O21 O 0.83491(16) 0.0388(2) 0.7940(2) 0.0133(8) Uani 1 1 d . . . . .
O22 O 0.92708(17) 0.0984(2) 0.8471(2) 0.0149(8) Uani 1 1 d . . . . .
O23 O 0.92961(17) -0.0185(2) 0.7885(3) 0.0203(9) Uani 1 1 d . . . . .
O24 O 0.56369(16) 0.1312(2) 0.8806(2) 0.0114(8) Uani 1 1 d . . . . .
O25 O 0.54295(17) 0.0770(2) 1.0007(2) 0.0135(8) Uani 1 1 d . . . . .
O26 O 0.65646(16) 0.1559(2) 0.6854(2) 0.0139(8) Uani 1 1 d . . . . .
O27 O 0.56174(18) 0.1609(3) 0.6075(2) 0.0220(9) Uani 1 1 d . . . . .
O28 O 0.56855(16) 0.1688(2) 0.7479(2) 0.0133(8) Uani 1 1 d . . . . .
O29 O 0.95891(17) 0.3516(2) 0.8814(2) 0.0150(8) Uani 1 1 d . . . . .
O30 O 0.4863(2) 0.0387(2) 1.1013(3) 0.0223(10) Uani 1 1 d . . . . .
O100 O 0.250000 0.250000 0.500000 0.130(6) Uani 1 2 d S . P . .
O1W O 0.4060(4) -0.0548(7) 0.7354(6) 0.022(2) Uani 0.5 1 d . . P . .
O2W O 0.72488(17) 0.2342(2) 0.5854(2) 0.0071(8) Uani 1 1 d . . . . .
O3W O 0.7667(2) 0.0844(3) 0.6029(3) 0.0362(12) Uani 1 1 d . . . . .
O4W O 0.6110(9) 0.6232(9) 0.8623(13) 0.043(4) Uani 0.5 1 d . . P . .
O5W O 0.6352(7) 0.3589(8) 0.5684(9) 0.050(3) Uani 0.5 1 d . . P . .
O6W O 0.6029(5) 0.1678(6) 0.3861(6) 0.040(3) Uani 0.5 1 d . . P . .
O7W O 0.6700(6) 0.3685(7) 0.5867(7) 0.037(3) Uani 0.5 1 d . . P . .
O8W O 0.3993(7) -0.0212(8) 0.7478(10) 0.051(4) Uani 0.5 1 d . U P . .
O9W O 0.7121(7) 0.2421(8) 0.5413(10) 0.066(4) Uani 0.5 1 d . . P . .
O10W O 0.6389(5) 0.2009(7) 0.4472(7) 0.048(3) Uani 0.5 1 d . . P . .
O11W O 0.6199(12) 0.6483(11) 0.854(2) 0.096(10) Uani 0.5 1 d . . P . .
O12W O 0.500000 0.1784(4) 0.250000 0.0281(15) Uani 1 2 d S TU P . .
O13W O 0.5671(4) 0.1494(6) 0.2961(5) 0.103(3) Uani 1 1 d . U . . .
O14W O 0.545(2) 0.704(3) 0.945(2) 0.049(13) Uani 0.25 1 d . U P . .
O15W O 0.5008(5) 0.5441(7) 0.9980(7) 0.048(3) Uani 0.5 1 d . . P . .
O50A O 0.5197(10) 0.3226(14) 0.2709(14) 0.065(6) Uani 0.3 1 d . U P . .
O50B O 0.5298(11) 0.2736(15) 0.2736(15) 0.035(6) Uani 0.2 1 d . U P . .
K1 K 0.500000 0.29295(11) 0.750000 0.0216(4) Uani 1 2 d S TU P . .
K2 K 0.500000 0.04346(11) 0.750000 0.0249(4) Uani 1 2 d S TU P . .
K3A K 0.7433(4) 0.4285(5) 0.6932(5) 0.068(3) Uani 0.6 1 d . . P . .
K3B K 0.7500(4) 0.4418(5) 0.7083(5) 0.0150(12) Uani 0.4 1 d . . P . .
K4A K 0.62463(18) 0.0709(2) 0.5250(2) 0.0292(8) Uani 0.5 1 d . U P . .
K4B K 0.6513(2) 0.0962(2) 0.5309(2) 0.0386(9) Uani 0.5 1 d . U P . .
K5A K 0.54632(16) 0.4917(2) 0.8736(2) 0.0275(7) Uani 0.5 1 d . U P . .
K5B K 0.5404(2) 0.5340(4) 0.8772(3) 0.0643(14) Uani 0.5 1 d . U P . .
K6A K 0.54876(19) 0.2739(3) 0.4685(4) 0.0272(10) Uani 0.4 1 d . . P . .
K6B K 0.5462(14) 0.308(2) 0.462(2) 0.042(7) Uani 0.1 1 d . U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
V1 O1 1.622(4) . ?
V1 O8 1.935(4) . ?
V1 O9 1.938(4) . ?
V1 O10 1.940(4) . ?
V1 O7 2.007(4) . ?
V1 V6 2.9955(13) . ?
V1 V2 3.0049(13) . ?
V1 K1 3.5531(9) . ?
V1 K6B 3.59(3) 2_656 ?
V1 K6A 3.616(5) 2_656 ?
V1 K5A 3.738(4) . ?
V2 O2 1.640(4) . ?
V2 O12 1.924(4) . ?
V2 O10 1.932(4) . ?
V2 O9 1.937(4) . ?
V2 O11 1.971(4) . ?
V2 V3 3.0390(13) . ?
V2 K3A 3.549(9) . ?
V2 K3B 3.626(11) . ?
V2 K1 3.8214(9) . ?
V3 O3 1.622(4) . ?
V3 O14 1.935(4) . ?
V3 O11 1.938(4) . ?
V3 O12 1.954(4) . ?
V3 O13 2.012(4) . ?
V3 V4 2.9904(13) . ?
V3 K3A 3.469(9) . ?
V3 K3B 3.533(10) . ?
V4 O4 1.616(4) . ?
V4 O12 1.924(4) . ?
V4 O16 1.936(4) . ?
V4 O14 1.944(4) . ?
V4 O15 1.944(4) . ?
V4 V5 2.9860(13) . ?
V4 K3B 3.507(8) . ?
V4 K4A 3.558(4) 4_656 ?
V4 K3A 3.732(8) . ?
V4 K4B 3.780(4) 4_656 ?
V5 O5 1.622(4) . ?
V5 O15 1.916(4) . ?
V5 O18 1.932(4) . ?
V5 O16 1.947(4) . ?
V5 O17 2.000(4) . ?
V5 V6 2.9911(13) . ?
V5 K3B 3.444(11) 6_566 ?
V5 K3A 3.509(9) 6_566 ?
V5 K4A 3.576(4) 4_656 ?
V5 K4B 3.701(4) 4_656 ?
V6 O6 1.622(4) . ?
V6 O10 1.923(4) . ?
V6 O16 1.936(4) . ?
V6 O18 1.954(4) . ?
V6 O8 1.965(4) . ?
V6 K5A 3.550(4) . ?
V6 K5B 3.952(5) . ?
B1 O22 1.358(7) . ?
B1 O21 1.369(7) . ?
B1 O23 1.377(8) . ?
B1 K5B 3.271(8) 3_545 ?
B1 K5A 3.495(7) 3_545 ?
B2 O20 1.457(7) . ?
B2 O18 1.459(7) 7_657 ?
B2 O21 1.481(7) . ?
B2 O13 1.492(7) . ?
B2 K3B 3.087(12) 4_646 ?
B2 K3A 3.259(11) 4_646 ?
B3 O19 1.433(7) . ?
B3 O8 1.467(7) 7_657 ?
B3 O22 1.488(7) . ?
B3 O13 1.523(7) . ?
B3 K6B 3.54(3) 8_556 ?
B4 O24 1.433(7) . ?
B4 O15 1.461(7) 7_657 ?
B4 O25 1.491(7) . ?
B4 O7 1.512(7) . ?
B5 O24 1.422(7) . ?
B5 O9 1.483(7) . ?
B5 O28 1.487(7) . ?
B5 O17 1.516(7) 7_657 ?
B5 K2 3.325(6) . ?
B5 K1 3.387(6) . ?
B6 O28 1.339(7) . ?
B6 O26 1.364(7) . ?
B6 O27 1.378(7) . ?
B6 K4B 3.230(8) . ?
B6 K4A 3.270(7) . ?
B6 K2 3.358(7) . ?
B6 K1 3.488(7) . ?
B7 O11 1.461(7) . ?
B7 O20 1.469(7) . ?
B7 O26 1.472(7) . ?
B7 O17 1.511(7) 7_657 ?
B8 O19 1.434(7) . ?
B8 O29 1.470(7) . ?
B8 O14 1.482(6) . ?
B8 O7 1.511(7) 7_657 ?
B8 K6A 3.224(7) 8_556 ?
B8 K6B 3.45(3) 8_556 ?
B9 O25 1.349(7) . ?
B9 O29 1.360(7) 7_657 ?
B9 O30 1.373(7) . ?
B9 K4A 3.524(7) 2_656 ?
O1 K1 2.738(4) . ?
O1 K6B 2.84(3) 2_656 ?
O1 K6A 2.947(7) 2_656 ?
O1 K5A 3.042(5) . ?
O2 K3A 3.060(10) . ?
O2 K1 3.173(4) . ?
O2 K3B 3.229(11) . ?
O3 K3A 2.868(10) . ?
O3 K3B 3.019(11) . ?
O4 K4A 2.694(5) 4_656 ?
O4 K4B 2.876(6) 4_656 ?
O4 K3B 3.010(7) . ?
O4 K3A 3.329(9) . ?
O5 K3A 2.666(10) 6_566 ?
O5 K3B 2.670(12) 6_566 ?
O5 K4A 2.758(5) 4_656 ?
O5 K4B 2.760(6) 4_656 ?
O6 K5A 2.735(5) . ?
O6 K5B 2.843(6) . ?
O7 K6A 3.133(6) 2_656 ?
O7 K6B 3.40(4) 2_656 ?
O9 K1 3.102(4) . ?
O10 K5A 3.176(5) . ?
O12 K3B 2.643(11) . ?
O12 K3A 2.701(9) . ?
O15 K4A 3.347(5) 4_656 ?
O18 K3B 3.129(11) 6_566 ?
O18 K3A 3.202(10) 6_566 ?
O19 K6B 2.83(3) 8_556 ?
O19 K6A 2.853(6) 8_556 ?
O20 K3B 3.015(10) 4_646 ?
O20 K3A 3.312(9) 4_646 ?
O21 K3B 2.586(11) 4_646 ?
O21 K3A 2.687(10) 4_646 ?
O22 K5B 2.779(6) 3_545 ?
O22 K5A 3.279(5) 3_545 ?
O23 K5A 2.809(5) 3_545 ?
O23 K5A 2.865(6) 4_646 ?
O23 K5B 2.875(6) 3_545 ?
O23 K5B 3.112(7) 4_646 ?
O24 K2 2.915(4) . ?
O25 K4A 3.236(6) 6_556 ?
O26 K4B 2.805(5) . ?
O26 K4A 3.102(5) . ?
O27 K4A 2.671(6) . ?
O27 K4B 2.798(6) . ?
O27 K6A 3.089(7) . ?
O28 K1 2.726(4) . ?
O28 K2 2.742(4) . ?
O29 K6A 3.244(7) 8_556 ?
O30 K2 2.890(4) 5_657 ?
O30 K4A 3.092(6) 2_656 ?
O1W O8W 0.668(15) . ?
O1W K2 2.743(10) . ?
O2W O9W 0.770(14) . ?
O2W K4B 3.060(6) . ?
O3W K4B 2.709(7) . ?
O3W K4A 3.283(7) . ?
O4W O11W 0.52(3) . ?
O4W K5B 2.299(17) . ?
O4W K6B 2.68(5) 6_566 ?
O4W K5A 2.806(15) . ?
O4W K6A 3.05(2) 6_566 ?
O5W O7W 0.818(14) . ?
O5W K6B 2.65(3) . ?
O5W K6A 2.832(16) . ?
O5W K3A 3.231(17) . ?
O6W O10W 1.354(16) . ?
O6W O13W 1.646(14) . ?
O6W K6A 2.751(13) . ?
O6W K4B 2.836(11) . ?
O6W K4A 2.907(11) . ?
O6W K6B 3.19(4) . ?
O7W K3A 2.501(16) . ?
O7W K3B 2.851(15) . ?
O7W K6B 3.41(3) . ?
O8W K2 2.543(16) . ?
O8W K3B 3.392(19) 3_445 ?
O9W K4B 2.963(16) . ?
O10W K4B 2.352(11) . ?
O10W K6A 2.487(14) . ?
O10W K4A 2.731(11) . ?
O10W K6B 2.89(4) . ?
O11W K6B 2.75(5) 6_566 ?
O11W K5B 2.79(2) . ?
O11W K6A 3.02(3) 6_566 ?
O11W K5A 3.318(19) . ?
O12W O13W 1.677(10) 2_655 ?
O12W O13W 1.678(11) . ?
O14W K6B 0.37(6) 6_566 ?
O14W K6A 0.56(5) 6_566 ?
O14W K5B 3.27(6) . ?
O15W O15W 1.60(2) 5_667 ?
O15W K5B 2.342(13) . ?
O15W K5A 2.621(13) 5_667 ?
O15W K5A 2.635(12) . ?
O15W K5B 2.798(14) 5_667 ?
O15W K6B 2.95(4) 6_566 ?
O50A O50B 0.91(3) . ?
O50A O50A 1.05(4) 2_655 ?
O50A O50B 1.53(3) 2_655 ?
O50A K5B 3.15(3) 6_565 ?
O50A K6B 3.20(5) . ?
O50A K6A 3.41(2) . ?
O50B O50B 1.45(5) 2_655 ?
O50B K6B 3.21(4) . ?
O50B K6A 3.25(3) . ?
K4A K4B 0.750(4) . ?
K5A K5B 0.780(6) . ?
K5B K6B 3.19(5) 6_566 ?
K6A K6B 0.63(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 V1 O8 109.40(19) . . ?
O1 V1 O9 108.05(18) . . ?
O8 V1 O9 140.42(16) . . ?
O1 V1 O10 107.55(19) . . ?
O8 V1 O10 79.04(16) . . ?
O9 V1 O10 77.97(16) . . ?
O1 V1 O7 106.43(18) . . ?
O8 V1 O7 91.21(15) . . ?
O9 V1 O7 90.18(16) . . ?
O10 V1 O7 145.98(16) . . ?
O1 V1 V6 112.04(15) . . ?
O8 V1 V6 40.19(11) . . ?
O9 V1 V6 112.10(11) . . ?
O10 V1 V6 38.95(11) . . ?
O7 V1 V6 125.32(11) . . ?
O1 V1 V2 110.35(15) . . ?
O8 V1 V2 113.44(12) . . ?
O9 V1 V2 39.15(11) . . ?
O10 V1 V2 38.99(12) . . ?
O7 V1 V2 124.16(11) . . ?
V6 V1 V2 75.86(3) . . ?
O1 V1 K1 47.68(14) . . ?
O8 V1 K1 152.00(12) . . ?
O9 V1 K1 60.63(11) . . ?
O10 V1 K1 92.36(12) . . ?
O7 V1 K1 109.54(11) . . ?
V6 V1 K1 125.03(4) . . ?
V2 V1 K1 70.72(3) . . ?
O1 V1 K6B 50.1(5) . 2_656 ?
O8 V1 K6B 79.0(7) . 2_656 ?
O9 V1 K6B 137.1(7) . 2_656 ?
O10 V1 K6B 139.2(7) . 2_656 ?
O7 V1 K6B 68.2(6) . 2_656 ?
V6 V1 K6B 110.7(7) . 2_656 ?
V2 V1 K6B 160.4(5) . 2_656 ?
K1 V1 K6B 91.2(6) . 2_656 ?
O1 V1 K6A 53.24(17) . 2_656 ?
O8 V1 K6A 85.32(14) . 2_656 ?
O9 V1 K6A 128.33(14) . 2_656 ?
O10 V1 K6A 149.08(16) . 2_656 ?
O7 V1 K6A 59.86(15) . 2_656 ?
V6 V1 K6A 119.57(9) . 2_656 ?
V2 V1 K6A 159.70(10) . 2_656 ?
K1 V1 K6A 89.09(9) . 2_656 ?
K6B V1 K6A 10.0(7) 2_656 2_656 ?
O1 V1 K5A 52.68(15) . . ?
O8 V1 K5A 82.54(12) . . ?
O9 V1 K5A 111.12(13) . . ?
O10 V1 K5A 58.16(13) . . ?
O7 V1 K5A 153.28(12) . . ?
V6 V1 K5A 62.50(6) . . ?
V2 V1 K5A 81.80(6) . . ?
K1 V1 K5A 70.45(6) . . ?
K6B V1 K5A 85.1(6) 2_656 . ?
K6A V1 K5A 93.64(12) 2_656 . ?
O2 V2 O12 107.96(18) . . ?
O2 V2 O10 106.40(18) . . ?
O12 V2 O10 94.48(16) . . ?
O2 V2 O9 107.55(18) . . ?
O12 V2 O9 144.38(16) . . ?
O10 V2 O9 78.20(16) . . ?
O2 V2 O11 109.60(18) . . ?
O12 V2 O11 77.22(15) . . ?
O10 V2 O11 143.90(17) . . ?
O9 V2 O11 88.35(16) . . ?
O2 V2 V1 109.28(14) . . ?
O12 V2 V1 127.01(12) . . ?
O10 V2 V1 39.20(11) . . ?
O9 V2 V1 39.17(11) . . ?
O11 V2 V1 121.90(12) . . ?
O2 V2 V3 112.04(14) . . ?
O12 V2 V3 38.77(11) . . ?
O10 V2 V3 126.21(12) . . ?
O9 V2 V3 121.45(11) . . ?
O11 V2 V3 38.57(11) . . ?
V1 V2 V3 138.60(4) . . ?
O2 V2 K3A 59.4(2) . . ?
O12 V2 K3A 48.76(18) . . ?
O10 V2 K3A 111.35(18) . . ?
O9 V2 K3A 165.09(17) . . ?
O11 V2 K3A 89.63(18) . . ?
V1 V2 K3A 147.87(14) . . ?
V3 V2 K3A 62.99(14) . . ?
O2 V2 K3B 62.92(18) . . ?
O12 V2 K3B 45.03(16) . . ?
O10 V2 K3B 106.32(19) . . ?
O9 V2 K3B 170.13(15) . . ?
O11 V2 K3B 92.6(2) . . ?
V1 V2 K3B 143.86(16) . . ?
V3 V2 K3B 63.30(16) . . ?
K3A V2 K3B 5.7(2) . . ?
O2 V2 K1 54.81(14) . . ?
O12 V2 K1 161.14(12) . . ?
O10 V2 K1 84.64(12) . . ?
O9 V2 K1 53.86(11) . . ?
O11 V2 K1 114.07(11) . . ?
V1 V2 K1 61.36(2) . . ?
V3 V2 K1 148.76(4) . . ?
K3A V2 K1 114.16(14) . . ?
K3B V2 K1 117.19(13) . . ?
O3 V3 O14 111.21(19) . . ?
O3 V3 O11 109.03(18) . . ?
O14 V3 O11 137.36(17) . . ?
O3 V3 O12 105.93(18) . . ?
O14 V3 O12 78.71(16) . . ?
O11 V3 O12 77.32(16) . . ?
O3 V3 O13 107.52(18) . . ?
O14 V3 O13 89.59(16) . . ?
O11 V3 O13 91.41(16) . . ?
O12 V3 O13 146.55(16) . . ?
O3 V3 V4 111.93(15) . . ?
O14 V3 V4 39.66(11) . . ?
O11 V3 V4 110.71(12) . . ?
O12 V3 V4 39.17(11) . . ?
O13 V3 V4 123.97(11) . . ?
O3 V3 V2 110.29(14) . . ?
O14 V3 V2 111.09(12) . . ?
O11 V3 V2 39.37(11) . . ?
O12 V3 V2 38.07(11) . . ?
O13 V3 V2 125.31(11) . . ?
V4 V3 V2 74.53(3) . . ?
O3 V3 K3A 55.1(2) . . ?
O14 V3 K3A 98.94(18) . . ?
O11 V3 K3A 92.56(18) . . ?
O12 V3 K3A 50.86(18) . . ?
O13 V3 K3A 162.47(18) . . ?
V4 V3 K3A 70.14(14) . . ?
V2 V3 K3A 65.70(15) . . ?
O3 V3 K3B 58.5(2) . . ?
O14 V3 K3B 93.16(16) . . ?
O11 V3 K3B 96.02(19) . . ?
O12 V3 K3B 47.6(2) . . ?
O13 V3 K3B 165.7(2) . . ?
V4 V3 K3B 64.41(12) . . ?
V2 V3 K3B 66.48(18) . . ?
K3A V3 K3B 5.9(2) . . ?
O4 V4 O12 107.03(19) . . ?
O4 V4 O16 106.01(19) . . ?
O12 V4 O16 94.20(16) . . ?
O4 V4 O14 107.56(19) . . ?
O12 V4 O14 79.24(16) . . ?
O16 V4 O14 146.26(17) . . ?
O4 V4 O15 108.77(19) . . ?
O12 V4 O15 144.09(17) . . ?
O16 V4 O15 78.70(16) . . ?
O14 V4 O15 87.43(16) . . ?
O4 V4 V5 110.12(15) . . ?
O12 V4 V5 126.98(12) . . ?
O16 V4 V5 39.87(11) . . ?
O14 V4 V5 121.75(12) . . ?
O15 V4 V5 38.98(11) . . ?
O4 V4 V3 110.32(15) . . ?
O12 V4 V3 39.92(11) . . ?
O16 V4 V3 127.74(12) . . ?
O14 V4 V3 39.44(11) . . ?
O15 V4 V3 121.08(12) . . ?
V5 V4 V3 139.40(4) . . ?
O4 V4 K3B 58.9(2) . . ?
O12 V4 K3B 48.10(19) . . ?
O16 V4 K3B 106.4(2) . . ?
O14 V4 K3B 93.8(2) . . ?
O15 V4 K3B 167.4(2) . . ?
V5 V4 K3B 143.86(17) . . ?
V3 V4 K3B 65.31(16) . . ?
O4 V4 K4A 45.81(16) . 4_656 ?
O12 V4 K4A 145.87(14) . 4_656 ?
O16 V4 K4A 78.75(13) . 4_656 ?
O14 V4 K4A 124.03(13) . 4_656 ?
O15 V4 K4A 67.76(13) . 4_656 ?
V5 V4 K4A 65.57(6) . 4_656 ?
V3 V4 K4A 152.03(7) . 4_656 ?
K3B V4 K4A 101.51(16) . 4_656 ?
O4 V4 K3A 63.11(19) . . ?
O12 V4 K3A 43.97(17) . . ?
O16 V4 K3A 107.59(18) . . ?
O14 V4 K3A 90.62(18) . . ?
O15 V4 K3A 170.58(18) . . ?
V5 V4 K3A 146.21(14) . . ?
V3 V4 K3A 60.95(13) . . ?
K3B V4 K3A 4.6(3) . . ?
K4A V4 K3A 106.07(15) 4_656 . ?
O4 V4 K4B 45.06(16) . 4_656 ?
O12 V4 K4B 136.33(14) . 4_656 ?
O16 V4 K4B 71.00(13) . 4_656 ?
O14 V4 K4B 134.60(14) . 4_656 ?
O15 V4 K4B 74.82(14) . 4_656 ?
V5 V4 K4B 65.09(6) . 4_656 ?
V3 V4 K4B 155.33(7) . 4_656 ?
K3B V4 K4B 95.67(16) . 4_656 ?
K4A V4 K4B 11.20(7) 4_656 4_656 ?
K3A V4 K4B 100.27(15) . 4_656 ?
O5 V5 O15 109.69(19) . . ?
O5 V5 O18 110.07(18) . . ?
O15 V5 O18 138.72(17) . . ?
O5 V5 O16 106.84(19) . . ?
O15 V5 O16 79.12(16) . . ?
O18 V5 O16 79.29(16) . . ?
O5 V5 O17 104.62(18) . . ?
O15 V5 O17 89.68(16) . . ?
O18 V5 O17 90.76(16) . . ?
O16 V5 O17 148.53(16) . . ?
O5 V5 V4 111.34(15) . . ?
O15 V5 V4 39.67(11) . . ?
O18 V5 V4 113.10(12) . . ?
O16 V5 V4 39.60(11) . . ?
O17 V5 V4 124.90(11) . . ?
O5 V5 V6 111.85(14) . . ?
O15 V5 V6 112.71(12) . . ?
O18 V5 V6 39.94(11) . . ?
O16 V5 V6 39.47(11) . . ?
O17 V5 V6 125.86(11) . . ?
V4 V5 V6 76.40(3) . . ?
O5 V5 K3B 48.8(2) . 6_566 ?
O15 V5 K3B 157.1(2) . 6_566 ?
O18 V5 K3B 64.2(2) . 6_566 ?
O16 V5 K3B 112.08(16) . 6_566 ?
O17 V5 K3B 89.37(15) . 6_566 ?
V4 V5 K3B 145.59(12) . 6_566 ?
V6 V5 K3B 86.06(14) . 6_566 ?
O5 V5 K3A 46.5(2) . 6_566 ?
O15 V5 K3A 156.13(19) . 6_566 ?
O18 V5 K3A 64.70(18) . 6_566 ?
O16 V5 K3A 106.83(18) . 6_566 ?
O17 V5 K3A 95.31(17) . 6_566 ?
V4 V5 K3A 139.63(14) . 6_566 ?
V6 V5 K3A 83.01(14) . 6_566 ?
K3B V5 K3A 6.0(2) 6_566 6_566 ?
O5 V5 K4A 47.66(15) . 4_656 ?
O15 V5 K4A 67.45(13) . 4_656 ?
O18 V5 K4A 139.73(13) . 4_656 ?
O16 V5 K4A 78.15(13) . 4_656 ?
O17 V5 K4A 124.52(13) . 4_656 ?
V4 V5 K4A 64.94(7) . 4_656 ?
V6 V5 K4A 109.63(7) . 4_656 ?
K3B V5 K4A 94.58(18) 6_566 4_656 ?
K3A V5 K4A 90.78(16) 6_566 4_656 ?
O5 V5 K4B 43.47(15) . 4_656 ?
O15 V5 K4B 77.19(14) . 4_656 ?
O18 V5 K4B 128.11(14) . 4_656 ?
O16 V5 K4B 73.00(13) . 4_656 ?
O17 V5 K4B 133.26(13) . 4_656 ?
V4 V5 K4B 67.88(7) . 4_656 ?
V6 V5 K4B 100.35(8) . 4_656 ?
K3B V5 K4B 86.93(18) 6_566 4_656 ?
K3A V5 K4B 82.48(16) 6_566 4_656 ?
K4A V5 K4B 11.66(7) 4_656 4_656 ?
O6 V6 O10 109.02(19) . . ?
O6 V6 O16 107.07(19) . . ?
O10 V6 O16 92.20(16) . . ?
O6 V6 O18 108.70(19) . . ?
O10 V6 O18 142.20(17) . . ?
O16 V6 O18 79.02(16) . . ?
O6 V6 O8 108.04(19) . . ?
O10 V6 O8 78.74(16) . . ?
O16 V6 O8 144.80(16) . . ?
O18 V6 O8 87.55(16) . . ?
O6 V6 V5 111.06(15) . . ?
O10 V6 V5 124.30(12) . . ?
O16 V6 V5 39.75(11) . . ?
O18 V6 V5 39.40(11) . . ?
O8 V6 V5 121.46(11) . . ?
O6 V6 V1 112.08(15) . . ?
O10 V6 V1 39.37(12) . . ?
O16 V6 V1 125.03(12) . . ?
O18 V6 V1 120.38(12) . . ?
O8 V6 V1 39.47(11) . . ?
V5 V6 V1 136.79(4) . . ?
O6 V6 K5A 47.67(15) . . ?
O10 V6 K5A 62.91(13) . . ?
O16 V6 K5A 118.75(13) . . ?
O18 V6 K5A 152.09(13) . . ?
O8 V6 K5A 87.43(12) . . ?
V5 V6 K5A 150.49(7) . . ?
V1 V6 K5A 69.05(6) . . ?
O6 V6 K5B 37.53(17) . . ?
O10 V6 K5B 72.38(15) . . ?
O16 V6 K5B 116.48(14) . . ?
O18 V6 K5B 144.16(15) . . ?
O8 V6 K5B 93.29(14) . . ?
V5 V6 K5B 142.51(10) . . ?
V1 V6 K5B 78.76(10) . . ?
K5A V6 K5B 10.25(9) . . ?
O22 B1 O21 122.5(5) . . ?
O22 B1 O23 117.3(5) . . ?
O21 B1 O23 120.1(5) . . ?
O22 B1 K5B 57.1(3) . 3_545 ?
O21 B1 K5B 171.4(4) . 3_545 ?
O23 B1 K5B 61.3(3) . 3_545 ?
O22 B1 K5A 69.6(3) . 3_545 ?
O21 B1 K5A 163.4(4) . 3_545 ?
O23 B1 K5A 49.7(3) . 3_545 ?
K5B B1 K5A 12.69(11) 3_545 3_545 ?
O20 B2 O18 108.4(4) . 7_657 ?
O20 B2 O21 106.3(4) . . ?
O18 B2 O21 109.6(5) 7_657 . ?
O20 B2 O13 113.3(5) . . ?
O18 B2 O13 109.9(4) 7_657 . ?
O21 B2 O13 109.4(4) . . ?
O20 B2 K3B 73.4(3) . 4_646 ?
O18 B2 K3B 78.0(3) 7_657 4_646 ?
O21 B2 K3B 56.6(3) . 4_646 ?
O13 B2 K3B 166.0(4) . 4_646 ?
O20 B2 K3A 79.2(3) . 4_646 ?
O18 B2 K3A 74.8(3) 7_657 4_646 ?
O21 B2 K3A 54.6(3) . 4_646 ?
O13 B2 K3A 163.1(4) . 4_646 ?
K3B B2 K3A 5.9(2) 4_646 4_646 ?
O19 B3 O8 110.8(4) . 7_657 ?
O19 B3 O22 106.8(4) . . ?
O8 B3 O22 110.3(4) 7_657 . ?
O19 B3 O13 113.0(4) . . ?
O8 B3 O13 108.0(4) 7_657 . ?
O22 B3 O13 107.8(4) . . ?
O19 B3 K6B 49.5(6) . 8_556 ?
O8 B3 K6B 86.3(6) 7_657 8_556 ?
O22 B3 K6B 76.5(8) . 8_556 ?
O13 B3 K6B 161.6(6) . 8_556 ?
O24 B4 O15 111.4(5) . 7_657 ?
O24 B4 O25 107.1(4) . . ?
O15 B4 O25 108.5(4) 7_657 . ?
O24 B4 O7 112.8(5) . . ?
O15 B4 O7 108.0(4) 7_657 . ?
O25 B4 O7 108.8(4) . . ?
O24 B5 O9 109.9(5) . . ?
O24 B5 O28 108.1(4) . . ?
O9 B5 O28 108.8(4) . . ?
O24 B5 O17 113.5(5) . 7_657 ?
O9 B5 O17 108.8(4) . 7_657 ?
O28 B5 O17 107.6(4) . 7_657 ?
O24 B5 K2 61.0(3) . . ?
O9 B5 K2 148.8(4) . . ?
O28 B5 K2 54.5(2) . . ?
O17 B5 K2 101.8(3) 7_657 . ?
O24 B5 K1 96.2(3) . . ?
O9 B5 K1 66.3(3) . . ?
O28 B5 K1 51.6(2) . . ?
O17 B5 K1 149.0(4) 7_657 . ?
K2 B5 K1 84.43(14) . . ?
O28 B6 O26 123.2(5) . . ?
O28 B6 O27 119.9(5) . . ?
O26 B6 O27 116.9(5) . . ?
O28 B6 K4B 162.6(4) . . ?
O26 B6 K4B 59.9(3) . . ?
O27 B6 K4B 59.6(3) . . ?
O28 B6 K4A 151.1(4) . . ?
O26 B6 K4A 70.8(3) . . ?
O27 B6 K4A 52.7(3) . . ?
K4B B6 K4A 13.22(8) . . ?
O28 B6 K2 51.9(3) . . ?
O26 B6 K2 128.0(4) . . ?
O27 B6 K2 89.9(3) . . ?
K4B B6 K2 111.6(2) . . ?
K4A B6 K2 99.23(18) . . ?
O28 B6 K1 45.6(3) . . ?
O26 B6 K1 135.2(4) . . ?
O27 B6 K1 91.6(3) . . ?
K4B B6 K1 146.7(2) . . ?
K4A B6 K1 144.1(2) . . ?
K2 B6 K1 82.39(15) . . ?
O11 B7 O20 109.9(4) . . ?
O11 B7 O26 110.7(4) . . ?
O20 B7 O26 106.2(4) . . ?
O11 B7 O17 108.1(4) . 7_657 ?
O20 B7 O17 111.3(4) . 7_657 ?
O26 B7 O17 110.7(4) . 7_657 ?
O19 B8 O29 107.7(4) . . ?
O19 B8 O14 110.3(4) . . ?
O29 B8 O14 110.5(4) . . ?
O19 B8 O7 112.5(4) . 7_657 ?
O29 B8 O7 108.7(4) . 7_657 ?
O14 B8 O7 107.3(4) . 7_657 ?
O19 B8 K6A 62.2(3) . 8_556 ?
O29 B8 K6A 77.6(3) . 8_556 ?
O14 B8 K6A 170.9(4) . 8_556 ?
O7 B8 K6A 72.9(3) 7_657 8_556 ?
O19 B8 K6B 53.0(8) . 8_556 ?
O29 B8 K6B 85.6(7) . 8_556 ?
O14 B8 K6B 160.8(8) . 8_556 ?
O7 B8 K6B 75.6(7) 7_657 8_556 ?
K6A B8 K6B 10.1(7) 8_556 8_556 ?
O25 B9 O29 122.4(5) . 7_657 ?
O25 B9 O30 120.6(5) . . ?
O29 B9 O30 117.0(5) 7_657 . ?
O25 B9 K4A 88.0(3) . 2_656 ?
O29 B9 K4A 120.2(4) 7_657 2_656 ?
O30 B9 K4A 60.6(3) . 2_656 ?
V1 O1 K1 106.35(19) . . ?
V1 O1 K6B 103.9(7) . 2_656 ?
K1 O1 K6B 132.5(8) . 2_656 ?
V1 O1 K6A 100.6(2) . 2_656 ?
K1 O1 K6A 124.37(18) . 2_656 ?
K6B O1 K6A 12.3(9) 2_656 2_656 ?
V1 O1 K5A 102.23(18) . . ?
K1 O1 K5A 93.31(14) . . ?
K6B O1 K5A 114.9(9) 2_656 . ?
K6A O1 K5A 127.15(19) 2_656 . ?
V2 O2 K3A 93.1(2) . . ?
V2 O2 K1 100.21(17) . . ?
K3A O2 K1 166.2(2) . . ?
V2 O2 K3B 90.2(2) . . ?
K3A O2 K3B 6.0(3) . . ?
K1 O2 K3B 166.4(2) . . ?
V3 O3 K3A 97.2(2) . . ?
V3 O3 K3B 94.3(3) . . ?
K3A O3 K3B 6.5(2) . . ?
V4 O4 K4A 108.7(2) . 4_656 ?
V4 O4 K4B 111.5(2) . 4_656 ?
K4A O4 K4B 15.01(10) 4_656 4_656 ?
V4 O4 K3B 93.7(3) . . ?
K4A O4 K3B 147.1(3) 4_656 . ?
K4B O4 K3B 133.3(3) 4_656 . ?
V4 O4 K3A 91.2(2) . . ?
K4A O4 K3A 150.4(2) 4_656 . ?
K4B O4 K3A 136.5(2) 4_656 . ?
K3B O4 K3A 3.3(3) . . ?
V5 O5 K3A 107.4(3) . 6_566 ?
V5 O5 K3B 104.0(3) . 6_566 ?
K3A O5 K3B 7.9(3) 6_566 6_566 ?
V5 O5 K4A 106.6(2) . 4_656 ?
K3A O5 K4A 136.9(3) 6_566 4_656 ?
K3B O5 K4A 143.8(3) 6_566 4_656 ?
V5 O5 K4B 112.7(2) . 4_656 ?
K3A O5 K4B 122.4(3) 6_566 4_656 ?
K3B O5 K4B 129.9(3) 6_566 4_656 ?
K4A O5 K4B 15.61(10) 4_656 4_656 ?
V6 O6 K5A 106.3(2) . . ?
V6 O6 K5B 122.1(2) . . ?
K5A O6 K5B 15.93(12) . . ?
B4 O7 B8 113.8(4) . 7_657 ?
B4 O7 V1 120.8(3) . . ?
B8 O7 V1 121.4(3) 7_657 . ?
B4 O7 K6A 124.1(3) . 2_656 ?
B8 O7 K6A 79.6(3) 7_657 2_656 ?
V1 O7 K6A 86.50(17) . 2_656 ?
B4 O7 K6B 133.6(8) . 2_656 ?
B8 O7 K6B 78.9(7) 7_657 2_656 ?
V1 O7 K6B 78.7(6) . 2_656 ?
K6A O7 K6B 10.0(6) 2_656 2_656 ?
B3 O8 V1 130.2(3) 7_657 . ?
B3 O8 V6 129.4(3) 7_657 . ?
V1 O8 V6 100.35(17) . . ?
B5 O9 V2 127.4(3) . . ?
B5 O9 V1 130.9(3) . . ?
V2 O9 V1 101.68(17) . . ?
B5 O9 K1 87.8(3) . . ?
V2 O9 K1 95.85(14) . . ?
V1 O9 K1 86.39(13) . . ?
V6 O10 V2 146.2(2) . . ?
V6 O10 V1 101.67(18) . . ?
V2 O10 V1 101.80(18) . . ?
V6 O10 K5A 84.46(15) . . ?
V2 O10 K5A 119.18(17) . . ?
V1 O10 K5A 90.57(15) . . ?
B7 O11 V3 130.7(3) . . ?
B7 O11 V2 127.2(3) . . ?
V3 O11 V2 102.07(17) . . ?
V4 O12 V2 143.2(2) . . ?
V4 O12 V3 100.91(17) . . ?
V2 O12 V3 103.16(17) . . ?
V4 O12 K3B 99.1(2) . . ?
V2 O12 K3B 104.0(2) . . ?
V3 O12 K3B 99.3(3) . . ?
V4 O12 K3A 106.4(2) . . ?
V2 O12 K3A 98.8(2) . . ?
V3 O12 K3A 95.0(2) . . ?
K3B O12 K3A 7.8(3) . . ?
B2 O13 B3 113.5(4) . . ?
B2 O13 V3 121.0(3) . . ?
B3 O13 V3 121.9(3) . . ?
B8 O14 V3 131.1(3) . . ?
B8 O14 V4 127.9(3) . . ?
V3 O14 V4 100.90(17) . . ?
B4 O15 V5 130.6(3) 7_657 . ?
B4 O15 V4 127.5(3) 7_657 . ?
V5 O15 V4 101.36(17) . . ?
B4 O15 K4A 99.9(3) 7_657 4_656 ?
V5 O15 K4A 80.64(14) . 4_656 ?
V4 O15 K4A 79.72(14) . 4_656 ?
V6 O16 V4 145.4(2) . . ?
V6 O16 V5 100.78(18) . . ?
V4 O16 V5 100.53(17) . . ?
B7 O17 B5 113.1(4) 7_657 7_657 ?
B7 O17 V5 122.2(3) 7_657 . ?
B5 O17 V5 121.1(3) 7_657 . ?
B2 O18 V5 132.5(3) 7_657 . ?
B2 O18 V6 126.8(3) 7_657 . ?
V5 O18 V6 100.66(18) . . ?
B2 O18 K3B 74.8(3) 7_657 6_566 ?
V5 O18 K3B 82.1(2) . 6_566 ?
V6 O18 K3B 118.22(19) . 6_566 ?
B2 O18 K3A 79.1(3) 7_657 6_566 ?
V5 O18 K3A 82.3(2) . 6_566 ?
V6 O18 K3A 111.7(2) . 6_566 ?
K3B O18 K3A 6.5(2) 6_566 6_566 ?
B3 O19 B8 120.4(4) . . ?
B3 O19 K6B 107.8(8) . 8_556 ?
B8 O19 K6B 103.1(10) . 8_556 ?
B3 O19 K6A 118.9(3) . 8_556 ?
B8 O19 K6A 91.4(3) . 8_556 ?
K6B O19 K6A 12.7(8) 8_556 8_556 ?
B2 O20 B7 120.5(4) . . ?
B2 O20 K3B 78.9(3) . 4_646 ?
B7 O20 K3B 124.3(4) . 4_646 ?
B2 O20 K3A 75.2(3) . 4_646 ?
B7 O20 K3A 125.1(3) . 4_646 ?
K3B O20 K3A 3.9(3) 4_646 4_646 ?
B1 O21 B2 121.4(4) . . ?
B1 O21 K3B 137.2(4) . 4_646 ?
B2 O21 K3B 94.9(4) . 4_646 ?
B1 O21 K3A 130.3(4) . 4_646 ?
B2 O21 K3A 98.8(4) . 4_646 ?
K3B O21 K3A 7.7(3) 4_646 4_646 ?
B1 O22 B3 121.1(4) . . ?
B1 O22 K5B 98.6(4) . 3_545 ?
B3 O22 K5B 138.0(3) . 3_545 ?
B1 O22 K5A 87.5(3) . 3_545 ?
B3 O22 K5A 147.3(3) . 3_545 ?
K5B O22 K5A 11.39(14) 3_545 3_545 ?
B1 O23 K5A 108.3(3) . 3_545 ?
B1 O23 K5A 113.1(4) . 4_646 ?
K5A O23 K5A 101.09(15) 3_545 4_646 ?
B1 O23 K5B 93.9(4) . 3_545 ?
K5A O23 K5B 15.73(11) 3_545 3_545 ?
K5A O23 K5B 101.89(18) 4_646 3_545 ?
B1 O23 K5B 101.8(4) . 4_646 ?
K5A O23 K5B 97.54(17) 3_545 4_646 ?
K5A O23 K5B 14.24(11) 4_646 4_646 ?
K5B O23 K5B 94.71(19) 3_545 4_646 ?
B5 O24 B4 118.7(4) . . ?
B5 O24 K2 93.7(3) . . ?
B4 O24 K2 142.6(3) . . ?
B9 O25 B4 122.0(5) . . ?
B9 O25 K4A 104.6(3) . 6_556 ?
B4 O25 K4A 103.9(3) . 6_556 ?
B6 O26 B7 119.3(5) . . ?
B6 O26 K4B 95.3(3) . . ?
B7 O26 K4B 139.8(3) . . ?
B6 O26 K4A 84.7(3) . . ?
B7 O26 K4A 143.2(3) . . ?
K4B O26 K4A 13.40(10) . . ?
B6 O27 K4A 103.1(4) . . ?
B6 O27 K4B 95.2(4) . . ?
K4A O27 K4B 15.53(10) . . ?
B6 O27 K6A 131.1(4) . . ?
K4A O27 K6A 90.47(18) . . ?
K4B O27 K6A 85.59(17) . . ?
B6 O28 B5 123.1(4) . . ?
B6 O28 K1 113.8(3) . . ?
B5 O28 K1 103.0(3) . . ?
B6 O28 K2 105.5(3) . . ?
B5 O28 K2 99.3(3) . . ?
K1 O28 K2 111.13(13) . . ?
B9 O29 B8 121.7(5) 7_657 . ?
B9 O29 K6A 101.4(3) 7_657 8_556 ?
B8 O29 K6A 76.1(3) . 8_556 ?
B9 O30 K2 130.3(4) . 5_657 ?
B9 O30 K4A 96.6(3) . 2_656 ?
K2 O30 K4A 131.95(16) 5_657 2_656 ?
O8W O1W K2 65.8(19) . . ?
O9W O2W K4B 75.6(12) . . ?
K4B O3W K4A 9.28(11) . . ?
O11W O4W K5B 159(5) . . ?
O11W O4W K6B 92(6) . 6_566 ?
K5B O4W K6B 79.1(11) . 6_566 ?
O11W O4W K5A 167(5) . . ?
K5B O4W K5A 13.42(19) . . ?
K6B O4W K5A 90.9(11) 6_566 . ?
O11W O4W K6A 82(6) . 6_566 ?
K5B O4W K6A 89.0(8) . 6_566 ?
K6B O4W K6A 10.2(8) 6_566 6_566 ?
K5A O4W K6A 101.0(7) . 6_566 ?
O7W O5W K6B 157(2) . . ?
O7W O5W K6A 151.3(19) . . ?
K6B O5W K6A 12.6(9) . . ?
O7W O5W K3A 23.4(14) . . ?
K6B O5W K3A 177.2(12) . . ?
K6A O5W K3A 170.1(6) . . ?
O10W O6W O13W 161.8(10) . . ?
O10W O6W K6A 64.4(7) . . ?
O13W O6W K6A 114.4(6) . . ?
O10W O6W K4B 55.5(6) . . ?
O13W O6W K4B 141.0(7) . . ?
K6A O6W K4B 91.6(4) . . ?
O10W O6W K4A 69.0(6) . . ?
O13W O6W K4A 128.6(7) . . ?
K6A O6W K4A 92.8(3) . . ?
K4B O6W K4A 14.93(11) . . ?
O10W O6W K6B 64.7(9) . . ?
O13W O6W K6B 111.1(9) . . ?
K6A O6W K6B 8.8(8) . . ?
K4B O6W K6B 98.3(8) . . ?
K4A O6W K6B 100.8(8) . . ?
O5W O7W K3A 149.2(18) . . ?
O5W O7W K3B 147.2(18) . . ?
K3A O7W K3B 2.4(4) . . ?
O5W O7W K6B 17.9(15) . . ?
K3A O7W K6B 166.8(8) . . ?
K3B O7W K6B 164.6(7) . . ?
O1W O8W K2 100(2) . . ?
O1W O8W K3B 91(2) . 3_445 ?
K2 O8W K3B 161.2(6) . 3_445 ?
O2W O9W K4B 89.9(12) . . ?
O6W O10W K4B 96.1(8) . . ?
O6W O10W K6A 86.2(7) . . ?
K4B O10W K6A 111.7(5) . . ?
O6W O10W K4A 83.5(7) . . ?
K4B O10W K4A 14.66(14) . . ?
K6A O10W K4A 103.5(4) . . ?
O6W O10W K6B 90.1(10) . . ?
K4B O10W K6B 120.9(10) . . ?
K6A O10W K6B 10.5(8) . . ?
K4A O10W K6B 113.6(9) . . ?
O4W O11W K6B 77(6) . 6_566 ?
O4W O11W K5B 17(4) . . ?
K6B O11W K5B 70.2(11) 6_566 . ?
O4W O11W K6A 89(6) . 6_566 ?
K6B O11W K6A 11.3(8) 6_566 6_566 ?
K5B O11W K6A 81.2(8) . 6_566 ?
O4W O11W K5A 11(5) . . ?
K6B O11W K5A 79.7(11) 6_566 . ?
K5B O11W K5A 10.90(16) . . ?
K6A O11W K5A 91.0(8) 6_566 . ?
O13W O12W O13W 143.5(8) 2_655 . ?
O6W O13W O12W 130.6(7) . . ?
K6B O14W K6A 83(10) 6_566 6_566 ?
K6B O14W K5B 73(10) 6_566 . ?
K6A O14W K5B 155(6) 6_566 . ?
O15W O15W K5B 88.5(9) 5_667 . ?
O15W O15W K5A 72.8(8) 5_667 5_667 ?
K5B O15W K5A 161.2(6) . 5_667 ?
O15W O15W K5A 71.9(8) 5_667 . ?
K5B O15W K5A 16.74(17) . . ?
K5A O15W K5A 144.7(5) 5_667 . ?
O15W O15W K5B 56.8(8) 5_667 5_667 ?
K5B O15W K5B 145.3(5) . 5_667 ?
K5A O15W K5B 16.13(14) 5_667 5_667 ?
K5A O15W K5B 128.6(5) . 5_667 ?
O15W O15W K6B 157.3(12) 5_667 6_566 ?
K5B O15W K6B 73.0(9) . 6_566 ?
K5A O15W K6B 125.7(9) 5_667 6_566 ?
K5A O15W K6B 88.7(9) . 6_566 ?
K5B O15W K6B 140.5(9) 5_667 6_566 ?
O50B O50A O50A 102(2) . 2_655 ?
O50B O50A O50B 68(3) . 2_655 ?
O50A O50A O50B 35.7(12) 2_655 2_655 ?
O50B O50A K5B 139(3) . 6_565 ?
O50A O50A K5B 115.1(13) 2_655 6_565 ?
O50B O50A K5B 142.5(14) 2_655 6_565 ?
O50B O50A K6B 82(2) . . ?
O50A O50A K6B 134(3) 2_655 . ?
O50B O50A K6B 117.6(15) 2_655 . ?
K5B O50A K6B 60.2(8) 6_565 . ?
O50B O50A K6A 72(2) . . ?
O50A O50A K6A 133(3) 2_655 . ?
O50B O50A K6A 110.6(14) 2_655 . ?
K5B O50A K6A 70.5(5) 6_565 . ?
K6B O50A K6A 10.3(7) . . ?
O50A O50B O50B 77(2) . 2_655 ?
O50A O50B O50A 42(2) . 2_655 ?
O50B O50B O50A 35.5(11) 2_655 2_655 ?
O50A O50B K6B 82(2) . . ?
O50B O50B K6B 121(2) 2_655 . ?
O50A O50B K6B 110.2(15) 2_655 . ?
O50A O50B K6A 93(2) . . ?
O50B O50B K6A 122(2) 2_655 . ?
O50A O50B K6A 118.4(14) 2_655 . ?
K6B O50B K6A 11.2(7) . . ?
O28 K1 O28 69.11(16) 2_656 . ?
O28 K1 O1 101.56(12) 2_656 2_656 ?
O28 K1 O1 102.13(12) . 2_656 ?
O28 K1 O1 102.12(12) 2_656 . ?
O28 K1 O1 101.56(12) . . ?
O1 K1 O1 151.15(18) 2_656 . ?
O28 K1 O9 48.44(10) 2_656 2_656 ?
O28 K1 O9 100.18(11) . 2_656 ?
O1 K1 O9 58.85(11) 2_656 2_656 ?
O1 K1 O9 131.64(11) . 2_656 ?
O28 K1 O9 100.18(11) 2_656 . ?
O28 K1 O9 48.44(10) . . ?
O1 K1 O9 131.64(11) 2_656 . ?
O1 K1 O9 58.85(11) . . ?
O9 K1 O9 145.63(15) 2_656 . ?
O28 K1 O2 74.11(11) 2_656 2_656 ?
O28 K1 O2 143.10(12) . 2_656 ?
O1 K1 O2 87.79(11) 2_656 2_656 ?
O1 K1 O2 83.08(11) . 2_656 ?
O9 K1 O2 54.84(10) 2_656 2_656 ?
O9 K1 O2 139.86(10) . 2_656 ?
O28 K1 O2 143.10(12) 2_656 . ?
O28 K1 O2 74.11(11) . . ?
O1 K1 O2 83.08(11) 2_656 . ?
O1 K1 O2 87.79(11) . . ?
O9 K1 O2 139.86(10) 2_656 . ?
O9 K1 O2 54.84(10) . . ?
O2 K1 O2 142.76(15) 2_656 . ?
O28 K1 B5 25.34(13) 2_656 2_656 ?
O28 K1 B5 77.57(14) . 2_656 ?
O1 K1 B5 76.39(13) 2_656 2_656 ?
O1 K1 B5 125.01(14) . 2_656 ?
O9 K1 B5 25.96(12) 2_656 2_656 ?
O9 K1 B5 119.85(14) . 2_656 ?
O2 K1 B5 70.33(13) 2_656 2_656 ?
O2 K1 B5 140.39(13) . 2_656 ?
O28 K1 B5 77.57(14) 2_656 . ?
O28 K1 B5 25.34(13) . . ?
O1 K1 B5 125.01(14) 2_656 . ?
O1 K1 B5 76.40(13) . . ?
O9 K1 B5 119.84(14) 2_656 . ?
O9 K1 B5 25.96(12) . . ?
O2 K1 B5 140.39(13) 2_656 . ?
O2 K1 B5 70.33(13) . . ?
B5 K1 B5 94.4(2) 2_656 . ?
O28 K1 B6 20.57(13) 2_656 2_656 ?
O28 K1 B6 79.90(14) . 2_656 ?
O1 K1 B6 117.42(14) 2_656 2_656 ?
O1 K1 B6 82.87(14) . 2_656 ?
O9 K1 B6 59.31(13) 2_656 2_656 ?
O9 K1 B6 96.40(13) . 2_656 ?
O2 K1 B6 64.22(13) 2_656 2_656 ?
O2 K1 B6 149.97(13) . 2_656 ?
B5 K1 B6 42.38(15) 2_656 2_656 ?
B5 K1 B6 79.74(15) . 2_656 ?
O28 K1 B6 79.90(14) 2_656 . ?
O28 K1 B6 20.57(13) . . ?
O1 K1 B6 82.87(14) 2_656 . ?
O1 K1 B6 117.42(13) . . ?
O9 K1 B6 96.40(13) 2_656 . ?
O9 K1 B6 59.31(13) . . ?
O2 K1 B6 149.97(13) 2_656 . ?
O2 K1 B6 64.22(13) . . ?
B5 K1 B6 79.74(15) 2_656 . ?
B5 K1 B6 42.38(15) . . ?
B6 K1 B6 95.1(2) 2_656 . ?
O8W K2 O8W 125.3(7) 2_656 . ?
O8W K2 O28 83.1(4) 2_656 . ?
O8W K2 O28 151.6(4) . . ?
O8W K2 O28 151.6(4) 2_656 2_656 ?
O8W K2 O28 83.1(4) . 2_656 ?
O28 K2 O28 68.63(16) . 2_656 ?
O8W K2 O1W 13.9(4) 2_656 2_656 ?
O8W K2 O1W 112.1(5) . 2_656 ?
O28 K2 O1W 96.3(3) . 2_656 ?
O28 K2 O1W 163.8(3) 2_656 2_656 ?
O8W K2 O1W 112.1(5) 2_656 . ?
O8W K2 O1W 13.9(4) . . ?
O28 K2 O1W 163.8(3) . . ?
O28 K2 O1W 96.3(3) 2_656 . ?
O1W K2 O1W 99.3(5) 2_656 . ?
O8W K2 O30 76.1(4) 2_656 6 ?
O8W K2 O30 76.6(4) . 6 ?
O28 K2 O30 113.77(12) . 6 ?
O28 K2 O30 116.46(11) 2_656 6 ?
O1W K2 O30 74.3(2) 2_656 6 ?
O1W K2 O30 66.7(2) . 6 ?
O8W K2 O30 76.6(4) 2_656 5_657 ?
O8W K2 O30 76.1(4) . 5_657 ?
O28 K2 O30 116.46(11) . 5_657 ?
O28 K2 O30 113.77(12) 2_656 5_657 ?
O1W K2 O30 66.7(2) 2_656 5_657 ?
O1W K2 O30 74.3(2) . 5_657 ?
O30 K2 O30 118.17(18) 6 5_657 ?
O8W K2 O24 84.2(4) 2_656 . ?
O8W K2 O24 126.9(4) . . ?
O28 K2 O24 49.07(11) . . ?
O28 K2 O24 75.92(11) 2_656 . ?
O1W K2 O24 89.8(2) 2_656 . ?
O1W K2 O24 135.1(2) . . ?
O30 K2 O24 155.95(11) 6 . ?
O30 K2 O24 69.25(11) 5_657 . ?
O8W K2 O24 126.9(4) 2_656 2_656 ?
O8W K2 O24 84.2(4) . 2_656 ?
O28 K2 O24 75.92(11) . 2_656 ?
O28 K2 O24 49.07(11) 2_656 2_656 ?
O1W K2 O24 135.1(2) 2_656 2_656 ?
O1W K2 O24 89.8(2) . 2_656 ?
O30 K2 O24 69.25(11) 6 2_656 ?
O30 K2 O24 155.95(11) 5_657 2_656 ?
O24 K2 O24 114.11(16) . 2_656 ?
O8W K2 B5 75.0(4) 2_656 . ?
O8W K2 B5 150.3(4) . . ?
O28 K2 B5 26.19(13) . . ?
O28 K2 B5 78.45(14) 2_656 . ?
O1W K2 B5 85.4(3) 2_656 . ?
O1W K2 B5 160.3(2) . . ?
O30 K2 B5 132.68(14) 6 . ?
O30 K2 B5 90.27(13) 5_657 . ?
O24 K2 B5 25.25(13) . . ?
O24 K2 B5 100.47(14) 2_656 . ?
O8W K2 B5 150.3(4) 2_656 2_656 ?
O8W K2 B5 75.0(4) . 2_656 ?
O28 K2 B5 78.45(14) . 2_656 ?
O28 K2 B5 26.20(13) 2_656 2_656 ?
O1W K2 B5 160.3(2) 2_656 2_656 ?
O1W K2 B5 85.4(3) . 2_656 ?
O30 K2 B5 90.27(13) 6 2_656 ?
O30 K2 B5 132.68(14) 5_657 2_656 ?
O24 K2 B5 100.47(14) . 2_656 ?
O24 K2 B5 25.25(13) 2_656 2_656 ?
B5 K2 B5 96.7(2) . 2_656 ?
O7W K3A O5 98.3(4) . 6_565 ?
O7W K3A O21 90.5(4) . 4_656 ?
O5 K3A O21 105.5(3) 6_565 4_656 ?
O7W K3A O12 109.9(4) . . ?
O5 K3A O12 137.2(4) 6_565 . ?
O21 K3A O12 105.6(3) 4_656 . ?
O7W K3A O3 87.9(4) . . ?
O5 K3A O3 88.8(3) 6_565 . ?
O21 K3A O3 165.6(4) 4_656 . ?
O12 K3A O3 61.8(2) . . ?
O7W K3A O2 59.3(3) . . ?
O5 K3A O2 157.6(3) 6_565 . ?
O21 K3A O2 76.3(2) 4_656 . ?
O12 K3A O2 59.8(2) . . ?
O3 K3A O2 90.6(3) . . ?
O7W K3A O18 91.3(4) . 6_565 ?
O5 K3A O18 58.8(2) 6_565 6_565 ?
O21 K3A O18 47.14(17) 4_656 6_565 ?
O12 K3A O18 146.8(3) . 6_565 ?
O3 K3A O18 147.1(3) . 6_565 ?
O2 K3A O18 116.9(3) . 6_565 ?
O7W K3A O5W 7.5(4) . . ?
O5 K3A O5W 104.0(4) 6_565 . ?
O21 K3A O5W 84.4(4) 4_656 . ?
O12 K3A O5W 107.5(4) . . ?
O3 K3A O5W 92.7(4) . . ?
O2 K3A O5W 53.7(3) . . ?
O18 K3A O5W 90.3(3) 6_565 . ?
O7W K3A B2 103.2(4) . 4_656 ?
O5 K3A B2 80.5(3) 6_565 4_656 ?
O21 K3A B2 26.68(16) 4_656 4_656 ?
O12 K3A B2 121.1(3) . 4_656 ?
O3 K3A B2 165.5(3) . 4_656 ?
O2 K3A B2 103.0(3) . 4_656 ?
O18 K3A B2 26.09(15) 6_565 4_656 ?
O5W K3A B2 99.2(4) . 4_656 ?
O7W K3A O20 128.8(4) . 4_656 ?
O5 K3A O20 77.6(2) 6_565 4_656 ?
O21 K3A O20 44.64(16) 4_656 4_656 ?
O12 K3A O20 106.0(3) . 4_656 ?
O3 K3A O20 142.1(3) . 4_656 ?
O2 K3A O20 114.9(3) . 4_656 ?
O18 K3A O20 42.55(14) 6_565 4_656 ?
O5W K3A O20 124.8(4) . 4_656 ?
B2 K3A O20 25.61(14) 4_656 4_656 ?
O7W K3A O4 165.2(5) . . ?
O5 K3A O4 93.9(3) 6_565 . ?
O21 K3A O4 94.4(3) 4_656 . ?
O12 K3A O4 55.27(18) . . ?
O3 K3A O4 83.9(2) . . ?
O2 K3A O4 108.3(3) . . ?
O18 K3A O4 102.2(2) 6_565 . ?
O5W K3A O4 161.8(4) . . ?
B2 K3A O4 87.1(2) 4_656 . ?
O20 K3A O4 62.21(17) 4_656 . ?
O7W K3A V3 98.2(4) . . ?
O5 K3A V3 112.4(3) 6_565 . ?
O21 K3A V3 139.2(3) 4_656 . ?
O12 K3A V3 34.14(13) . . ?
O3 K3A V3 27.64(11) . . ?
O2 K3A V3 74.3(2) . . ?
O18 K3A V3 168.1(3) 6_565 . ?
O5W K3A V3 100.1(3) . . ?
B2 K3A V3 153.2(3) 4_656 . ?
O20 K3A V3 131.0(3) 4_656 . ?
O4 K3A V3 69.20(18) . . ?
O21 K3B O12 110.3(4) 4_656 . ?
O21 K3B O5 108.3(4) 4_656 6_565 ?
O12 K3B O5 140.3(4) . 6_565 ?
O21 K3B O7W 85.2(3) 4_656 . ?
O12 K3B O7W 101.6(4) . . ?
O5 K3B O7W 90.1(4) 6_565 . ?
O21 K3B O4 104.6(3) 4_656 . ?
O12 K3B O4 60.17(19) . . ?
O5 K3B O4 101.5(3) 6_565 . ?
O7W K3B O4 161.3(5) . . ?
O21 K3B O20 48.9(2) 4_656 4_656 ?
O12 K3B O20 116.5(3) . 4_656 ?
O5 K3B O20 83.1(3) 6_565 4_656 ?
O7W K3B O20 127.2(4) . 4_656 ?
O4 K3B O20 69.42(18) . 4_656 ?
O21 K3B O3 159.0(4) 4_656 . ?
O12 K3B O3 60.3(2) . . ?
O5 K3B O3 85.7(3) 6_565 . ?
O7W K3B O3 79.0(3) . . ?
O4 K3B O3 87.2(3) . . ?
O20 K3B O3 151.3(3) 4_656 . ?
O21 K3B B2 28.55(17) 4_656 4_656 ?
O12 K3B B2 130.1(4) . 4_656 ?
O5 K3B B2 83.7(3) 6_565 4_656 ?
O7W K3B B2 99.7(4) . 4_656 ?
O4 K3B B2 96.2(3) . 4_656 ?
O20 K3B B2 27.60(16) 4_656 4_656 ?
O3 K3B B2 169.3(4) . 4_656 ?
O21 K3B O18 48.6(2) 4_656 6_565 ?
O12 K3B O18 157.1(4) . 6_565 ?
O5 K3B O18 59.8(2) 6_565 6_565 ?
O7W K3B O18 86.7(3) . 6_565 ?
O4 K3B O18 111.8(3) . 6_565 ?
O20 K3B O18 45.25(18) 4_656 6_565 ?
O3 K3B O18 142.6(4) . 6_565 ?
B2 K3B O18 27.15(16) 4_656 6_565 ?
O21 K3B O2 74.7(3) 4_656 . ?
O12 K3B O2 57.9(2) . . ?
O5 K3B O2 144.3(3) 6_565 . ?
O7W K3B O2 54.3(3) . . ?
O4 K3B O2 112.3(3) . . ?
O20 K3B O2 118.8(4) 4_656 . ?
O3 K3B O2 84.8(3) . . ?
B2 K3B O2 103.1(3) 4_656 . ?
O18 K3B O2 114.2(3) 6_565 . ?
O21 K3B O8W 125.2(4) 4_656 3 ?
O12 K3B O8W 94.7(4) . 3 ?
O5 K3B O8W 54.6(3) 6_565 3 ?
O7W K3B O8W 137.4(5) . 3 ?
O4 K3B O8W 48.0(3) . 3 ?
O20 K3B O8W 76.3(3) 4_656 3 ?
O3 K3B O8W 75.7(3) . 3 ?
B2 K3B O8W 99.1(4) 4_656 3 ?
O18 K3B O8W 93.2(4) 6_565 3 ?
O2 K3B O8W 152.1(4) . 3 ?
O21 K3B V5 82.0(3) 4_656 6_565 ?
O12 K3B V5 160.3(3) . 6_565 ?
O5 K3B V5 27.19(14) 6_565 6_565 ?
O7W K3B V5 94.5(3) . 6_565 ?
O4 K3B V5 102.5(3) . 6_565 ?
O20 K3B V5 59.5(2) 4_656 6_565 ?
O3 K3B V5 112.8(3) . 6_565 ?
B2 K3B V5 56.6(2) 4_656 6_565 ?
O18 K3B V5 33.75(13) 6_565 6_565 ?
O2 K3B V5 141.8(3) . 6_565 ?
O8W K3B V5 65.6(3) 3 6_565 ?
K4B K4A O27 91.9(5) . . ?
K4B K4A O4 96.5(5) . 4_646 ?
O27 K4A O4 102.03(18) . 4_646 ?
K4B K4A O10W 52.5(5) . . ?
O27 K4A O10W 80.4(3) . . ?
O4 K4A O10W 149.0(3) 4_646 . ?
K4B K4A O5 82.3(5) . 4_646 ?
O27 K4A O5 159.12(19) . 4_646 ?
O4 K4A O5 98.57(16) 4_646 4_646 ?
O10W K4A O5 80.2(3) . 4_646 ?
K4B K4A O6W 77.2(5) . . ?
O27 K4A O6W 90.6(3) . . ?
O4 K4A O6W 166.1(3) 4_646 . ?
O10W K4A O6W 27.6(3) . . ?
O5 K4A O6W 68.5(3) 4_646 . ?
K4B K4A O30 139.2(5) . 2_656 ?
O27 K4A O30 92.19(16) . 2_656 ?
O4 K4A O30 122.19(18) 4_646 2_656 ?
O10W K4A O30 88.3(3) . 2_656 ?
O5 K4A O30 79.64(15) 4_646 2_656 ?
O6W K4A O30 62.2(2) . 2_656 ?
K4B K4A O26 60.2(5) . . ?
O27 K4A O26 47.03(13) . . ?
O4 K4A O26 72.83(14) 4_646 . ?
O10W K4A O26 87.9(3) . . ?
O5 K4A O26 139.38(18) 4_646 . ?
O6W K4A O26 113.2(3) . . ?
O30 K4A O26 139.06(16) 2_656 . ?
K4B K4A O25 161.7(5) . 6 ?
O27 K4A O25 103.66(17) . 6 ?
O4 K4A O25 71.20(14) 4_646 6 ?
O10W K4A O25 138.9(3) . 6 ?
O5 K4A O25 86.18(15) 4_646 6 ?
O6W K4A O25 111.7(3) . 6 ?
O30 K4A O25 50.99(12) 2_656 6 ?
O26 K4A O25 125.12(16) . 6 ?
K4B K4A B6 80.3(5) . . ?
O27 K4A B6 24.24(15) . . ?
O4 K4A B6 82.23(17) 4_646 . ?
O10W K4A B6 90.2(3) . . ?
O5 K4A B6 162.6(2) 4_646 . ?
O6W K4A B6 108.5(3) . . ?
O30 K4A B6 114.78(17) 2_656 . ?
O26 K4A B6 24.53(13) . . ?
O25 K4A B6 110.30(17) 6 . ?
K4B K4A O3W 35.6(5) . . ?
O27 K4A O3W 107.66(18) . . ?
O4 K4A O3W 62.28(15) 4_646 . ?
O10W K4A O3W 87.3(3) . . ?
O5 K4A O3W 79.00(15) 4_646 . ?
O6W K4A O3W 108.6(3) . . ?
O30 K4A O3W 158.63(17) 2_656 . ?
O26 K4A O3W 61.65(13) . . ?
O25 K4A O3W 127.86(16) 6 . ?
B6 K4A O3W 86.15(17) . . ?
K4B K4A O15 119.3(5) . 4_646 ?
O27 K4A O15 141.76(19) . 4_646 ?
O4 K4A O15 56.14(12) 4_646 4_646 ?
O10W K4A O15 135.4(3) . 4_646 ?
O5 K4A O15 55.65(12) 4_646 4_646 ?
O6W K4A O15 116.0(3) . 4_646 ?
O30 K4A O15 78.52(13) 2_656 4_646 ?
O26 K4A O15 128.90(15) . 4_646 ?
O25 K4A O15 42.64(10) 6 4_646 ?
B6 K4A O15 134.09(18) . 4_646 ?
O3W K4A O15 90.03(14) . 4_646 ?
K4A K4B O10W 112.8(6) . . ?
K4A K4B O3W 135.1(5) . . ?
O10W K4B O3W 110.8(4) . . ?
K4A K4B O5 82.1(5) . 4_646 ?
O10W K4B O5 87.1(3) . 4_646 ?
O3W K4B O5 89.89(17) . 4_646 ?
K4A K4B O27 72.6(5) . . ?
O10W K4B O27 84.8(3) . . ?
O3W K4B O27 122.1(2) . . ?
O5 K4B O27 147.7(2) 4_646 . ?
K4A K4B O26 106.4(5) . . ?
O10W K4B O26 103.4(3) . . ?
O3W K4B O26 72.85(16) . . ?
O5 K4B O26 162.0(2) 4_646 . ?
O27 K4B O26 49.30(13) . . ?
K4A K4B O6W 87.9(5) . . ?
O10W K4B O6W 28.3(4) . . ?
O3W K4B O6W 130.2(3) . . ?
O5 K4B O6W 69.5(3) 4_646 . ?
O27 K4B O6W 89.6(3) . . ?
O26 K4B O6W 125.6(3) . . ?
K4A K4B O4 68.5(5) . 4_646 ?
O10W K4B O4 178.2(4) . 4_646 ?
O3W K4B O4 68.13(16) . 4_646 ?
O5 K4B O4 94.29(16) 4_646 4_646 ?
O27 K4B O4 94.59(17) . 4_646 ?
O26 K4B O4 74.92(15) . 4_646 ?
O6W K4B O4 153.4(3) . 4_646 ?
K4A K4B O9W 154.7(6) . . ?
O10W K4B O9W 48.2(4) . . ?
O3W K4B O9W 68.9(3) . . ?
O5 K4B O9W 109.7(4) 4_646 . ?
O27 K4B O9W 87.5(3) . . ?
O26 K4B O9W 69.2(3) . . ?
O6W K4B O9W 76.2(4) . . ?
O4 K4B O9W 130.1(4) 4_646 . ?
K4A K4B O2W 157.6(5) . . ?
O10W K4B O2W 62.4(3) . . ?
O3W K4B O2W 59.24(17) . . ?
O5 K4B O2W 118.19(19) 4_646 . ?
O27 K4B O2W 85.09(16) . . ?
O26 K4B O2W 57.28(14) . . ?
O6W K4B O2W 90.6(3) . . ?
O4 K4B O2W 115.92(18) 4_646 . ?
O9W K4B O2W 14.6(3) . . ?
K4A K4B B6 86.5(5) . . ?
O10W K4B B6 98.5(4) . . ?
O3W K4B B6 97.42(19) . . ?
O5 K4B B6 168.5(2) 4_646 . ?
O27 K4B B6 25.15(14) . . ?
O26 K4B B6 24.86(14) . . ?
O6W K4B B6 111.4(3) . . ?
O4 K4B B6 80.29(17) 4_646 . ?
O9W K4B B6 81.3(3) . . ?
O2W K4B B6 73.32(16) . . ?
K4A K4B V5 74.6(5) . 4_646 ?
O10W K4B V5 110.9(3) . 4_646 ?
O3W K4B V5 80.40(14) . 4_646 ?
O5 K4B V5 23.85(9) 4_646 4_646 ?
O27 K4B V5 147.1(2) . 4_646 ?
O26 K4B V5 142.16(15) . 4_646 ?
O6W K4B V5 92.1(3) . 4_646 ?
O4 K4B V5 70.46(11) 4_646 4_646 ?
O9W K4B V5 124.8(3) . 4_646 ?
O2W K4B V5 127.75(16) . 4_646 ?
B6 K4B V5 149.34(18) . 4_646 ?
K5B K5A O15W 94.9(6) . 5_667 ?
K5B K5A O15W 59.8(6) . . ?
O15W K5A O15W 35.3(5) 5_667 . ?
K5B K5A O6 89.9(5) . . ?
O15W K5A O6 75.5(3) 5_667 . ?
O15W K5A O6 73.7(3) . . ?
K5B K5A O4W 43.2(7) . . ?
O15W K5A O4W 122.6(6) 5_667 . ?
O15W K5A O4W 90.8(6) . . ?
O6 K5A O4W 69.3(4) . . ?
K5B K5A O23 86.9(5) . 3_455 ?
O15W K5A O23 87.0(3) 5_667 3_455 ?
O15W K5A O23 89.4(3) . 3_455 ?
O6 K5A O23 161.9(2) . 3_455 ?
O4W K5A O23 118.4(4) . 3_455 ?
K5B K5A O23 101.2(6) . 4_656 ?
O15W K5A O23 157.5(3) 5_667 4_656 ?
O15W K5A O23 158.2(3) . 4_656 ?
O6 K5A O23 119.69(17) . 4_656 ?
O4W K5A O23 79.6(5) . 4_656 ?
O23 K5A O23 78.41(15) 3_455 4_656 ?
K5B K5A O1 152.2(6) . . ?
O15W K5A O1 59.5(3) 5_667 . ?
O15W K5A O1 94.7(3) . . ?
O6 K5A O1 93.54(15) . . ?
O4W K5A O1 159.6(4) . . ?
O23 K5A O1 81.30(14) 3_455 . ?
O23 K5A O1 101.02(16) 4_656 . ?
K5B K5A O10 144.2(5) . . ?
O15W K5A O10 92.0(3) 5_667 . ?
O15W K5A O10 117.3(3) . . ?
O6 K5A O10 58.01(13) . . ?
O4W K5A O10 105.1(4) . . ?
O23 K5A O10 128.59(16) 3_455 . ?
O23 K5A O10 84.16(14) 4_656 . ?
O1 K5A O10 55.13(12) . . ?
K5B K5A O22 44.7(5) . 3_455 ?
O15W K5A O22 80.7(3) 5_667 3_455 ?
O15W K5A O22 59.6(3) . 3_455 ?
O6 K5A O22 126.02(16) . 3_455 ?
O4W K5A O22 85.0(4) . 3_455 ?
O23 K5A O22 44.30(12) 3_455 3_455 ?
O23 K5A O22 99.79(14) 4_656 3_455 ?
O1 K5A O22 114.61(15) . 3_455 ?
O10 K5A O22 169.71(16) . 3_455 ?
K5B K5A O11W 42.6(7) . . ?
O15W K5A O11W 123.9(7) 5_667 . ?
O15W K5A O11W 91.6(6) . . ?
O6 K5A O11W 71.2(6) . . ?
O4W K5A O11W 2.0(9) . . ?
O23 K5A O11W 116.6(6) 3_455 . ?
O23 K5A O11W 78.2(6) 4_656 . ?
O1 K5A O11W 161.1(5) . . ?
O10 K5A O11W 106.3(5) . . ?
O22 K5A O11W 83.9(5) 3_455 . ?
K5B K5A B1 67.1(5) . 3_455 ?
O15W K5A B1 80.0(3) 5_667 3_455 ?
O15W K5A B1 71.6(3) . 3_455 ?
O6 K5A B1 144.65(19) . 3_455 ?
O4W K5A B1 104.7(4) . 3_455 ?
O23 K5A B1 21.97(14) 3_455 3_455 ?
O23 K5A B1 91.86(16) 4_656 3_455 ?
O1 K5A B1 95.64(16) . 3_455 ?
O10 K5A B1 148.68(17) . 3_455 ?
O22 K5A B1 22.84(13) 3_455 3_455 ?
O11W K5A B1 103.3(5) . 3_455 ?
K5A K5B O4W 123.4(8) . . ?
K5A K5B O15W 103.4(7) . . ?
O4W K5B O15W 113.2(7) . . ?
K5A K5B O22 124.0(6) . 3_455 ?
O4W K5B O22 108.4(5) . 3_455 ?
O15W K5B O22 71.0(3) . 3_455 ?
K5A K5B O11W 126.5(8) . . ?
O4W K5B O11W 3.8(10) . . ?
O15W K5B O11W 113.2(8) . . ?
O22 K5B O11W 104.6(6) 3_455 . ?
K5A K5B O15W 69.0(6) . 5_667 ?
O4W K5B O15W 138.0(6) . 5_667 ?
O15W K5B O15W 34.7(5) . 5_667 ?
O22 K5B O15W 87.4(3) 3_455 5_667 ?
O11W K5B O15W 139.9(8) . 5_667 ?
K5A K5B O6 74.2(5) . . ?
O4W K5B O6 74.7(5) . . ?
O15W K5B O6 76.1(3) . . ?
O22 K5B O6 145.2(3) 3_455 . ?
O11W K5B O6 78.2(7) . . ?
O15W K5B O6 71.1(3) 5_667 . ?
K5A K5B O23 77.3(5) . 3_455 ?
O4W K5B O23 137.3(5) . 3_455 ?
O15W K5B O23 93.9(3) . 3_455 ?
O22 K5B O23 48.78(13) 3_455 3_455 ?
O11W K5B O23 134.1(7) . 3_455 ?
O15W K5B O23 82.5(3) 5_667 3_455 ?
O6 K5B O23 146.5(3) . 3_455 ?
K5A K5B O23 64.6(5) . 4_656 ?
O4W K5B O23 82.8(6) . 4_656 ?
O15W K5B O23 163.9(4) . 4_656 ?
O22 K5B O23 105.95(19) 3_455 4_656 ?
O11W K5B O23 82.9(7) . 4_656 ?
O15W K5B O23 131.1(3) 5_667 4_656 ?
O6 K5B O23 108.8(2) . 4_656 ?
O23 K5B O23 73.50(18) 3_455 4_656 ?
K5A K5B O50A 141.0(8) . 6_566 ?
O4W K5B O50A 53.7(6) . 6_566 ?
O15W K5B O50A 112.8(6) . 6_566 ?
O22 K5B O50A 59.7(5) 3_455 6_566 ?
O11W K5B O50A 50.0(8) . 6_566 ?
O15W K5B O50A 143.7(6) 5_667 6_566 ?
O6 K5B O50A 127.4(5) . 6_566 ?
O23 K5B O50A 86.0(4) 3_455 6_566 ?
O23 K5B O50A 77.0(5) 4_656 6_566 ?
K5A K5B K6B 156.3(8) . 6_566 ?
O4W K5B K6B 55.8(8) . 6_566 ?
O15W K5B K6B 62.4(7) . 6_566 ?
O22 K5B K6B 71.6(6) 3_455 6_566 ?
O11W K5B K6B 54.2(9) . 6_566 ?
O15W K5B K6B 96.3(7) 5_667 6_566 ?
O6 K5B K6B 83.6(6) . 6_566 ?
O23 K5B K6B 120.4(6) 3_455 6_566 ?
O23 K5B K6B 132.6(6) 4_656 6_566 ?
O50A K5B K6B 60.8(7) 6_566 6_566 ?
K5A K5B B1 100.2(6) . 3_455 ?
O4W K5B B1 127.1(5) . 3_455 ?
O15W K5B B1 79.3(3) . 3_455 ?
O22 K5B B1 24.24(14) 3_455 3_455 ?
O11W K5B B1 123.3(7) . 3_455 ?
O15W K5B B1 81.8(3) 5_667 3_455 ?
O6 K5B B1 152.6(2) . 3_455 ?
O23 K5B B1 24.84(14) 3_455 3_455 ?
O23 K5B B1 91.94(19) 4_656 3_455 ?
O50A K5B B1 73.7(4) 6_566 3_455 ?
K6B K5B B1 95.7(6) 6_566 3_455 ?
O14W K6A K6B 35(5) 6_565 . ?
O14W K6A O10W 108(5) 6_565 . ?
K6B K6A O10W 124(3) . . ?
O14W K6A O6W 99(5) 6_565 . ?
K6B K6A O6W 130(3) . . ?
O10W K6A O6W 29.4(3) . . ?
O14W K6A O5W 93(5) 6_565 . ?
K6B K6A O5W 67(3) . . ?
O10W K6A O5W 82.5(4) . . ?
O6W K6A O5W 111.3(4) . . ?
O14W K6A O19 65(5) 6_565 8_455 ?
K6B K6A O19 81(3) . 8_455 ?
O10W K6A O19 127.9(4) . 8_455 ?
O6W K6A O19 98.5(3) . 8_455 ?
O5W K6A O19 145.6(4) . 8_455 ?
O14W K6A O1 103(5) 6_565 2_656 ?
K6B K6A O1 74(3) . 2_656 ?
O10W K6A O1 144.2(3) . 2_656 ?
O6W K6A O1 156.0(3) . 2_656 ?
O5W K6A O1 77.5(4) . 2_656 ?
O19 K6A O1 82.15(16) 8_455 2_656 ?
O14W K6A O11W 41(5) 6_565 6_565 ?
K6B K6A O11W 59(3) . 6_565 ?
O10W K6A O11W 68.8(4) . 6_565 ?
O6W K6A O11W 71.9(5) . 6_565 ?
O5W K6A O11W 75.3(7) . 6_565 ?
O19 K6A O11W 99.3(6) 8_455 6_565 ?
O1 K6A O11W 131.9(5) 2_656 6_565 ?
O14W K6A O4W 35(5) 6_565 6_565 ?
K6B K6A O4W 49(3) . 6_565 ?
O10W K6A O4W 77.8(4) . 6_565 ?
O6W K6A O4W 81.8(4) . 6_565 ?
O5W K6A O4W 71.7(5) . 6_565 ?
O19 K6A O4W 97.1(4) 8_455 6_565 ?
O1 K6A O4W 122.1(4) 2_656 6_565 ?
O11W K6A O4W 9.9(5) 6_565 6_565 ?
O14W K6A O27 175(5) 6_565 . ?
K6B K6A O27 141(4) . . ?
O10W K6A O27 76.6(3) . . ?
O6W K6A O27 85.4(3) . . ?
O5W K6A O27 85.8(3) . . ?
O19 K6A O27 114.09(19) 8_455 . ?
O1 K6A O27 72.64(17) 2_656 . ?
O11W K6A O27 142.2(5) 6_565 . ?
O4W K6A O27 147.7(3) 6_565 . ?
O14W K6A O7 110(5) 6_565 2_656 ?
K6B K6A O7 110(3) . 2_656 ?
O10W K6A O7 125.0(4) . 2_656 ?
O6W K6A O7 105.7(3) . 2_656 ?
O5W K6A O7 132.0(4) . 2_656 ?
O19 K6A O7 48.03(12) 8_455 2_656 ?
O1 K6A O7 57.21(13) 2_656 2_656 ?
O11W K6A O7 147.1(6) 6_565 2_656 ?
O4W K6A O7 144.7(4) 6_565 2_656 ?
O27 K6A O7 67.43(15) . 2_656 ?
O14W K6A B8 91(5) 6_565 8_455 ?
K6B K6A B8 106(3) . 8_455 ?
O10W K6A B8 118.0(4) . 8_455 ?
O6W K6A B8 90.7(3) . 8_455 ?
O5W K6A B8 156.7(4) . 8_455 ?
O19 K6A B8 26.39(14) 8_455 8_455 ?
O1 K6A B8 79.24(17) 2_656 8_455 ?
O11W K6A B8 120.8(6) 6_565 8_455 ?
O4W K6A B8 121.1(4) 6_565 8_455 ?
O27 K6A B8 88.45(19) . 8_455 ?
O7 K6A B8 27.46(13) 2_656 8_455 ?
O14W K6B K6A 62(10) 6_565 . ?
O14W K6B O5W 135(10) 6_565 . ?
K6A K6B O5W 101(4) . . ?
O14W K6B O4W 76(10) 6_565 6_565 ?
K6A K6B O4W 121(3) . 6_565 ?
O5W K6B O4W 80.7(10) . 6_565 ?
O14W K6B O11W 67(10) 6_565 6_565 ?
K6A K6B O11W 110(3) . 6_565 ?
O5W K6B O11W 83.1(12) . 6_565 ?
O4W K6B O11W 11.0(5) 6_565 6_565 ?
O14W K6B O19 60(10) 6_565 8_455 ?
K6A K6B O19 86(3) . 8_455 ?
O5W K6B O19 165.6(14) . 8_455 ?
O4W K6B O19 107.1(14) 6_565 8_455 ?
O11W K6B O19 106.9(14) 6_565 8_455 ?
O14W K6B O1 136(10) 6_565 2_656 ?
K6A K6B O1 93(4) . 2_656 ?
O5W K6B O1 82.3(10) . 2_656 ?
O4W K6B O1 143.9(16) 6_565 2_656 ?
O11W K6B O1 154.3(16) 6_565 2_656 ?
O19 K6B O1 84.5(9) 8_455 2_656 ?
O14W K6B O10W 59(10) 6_565 . ?
K6A K6B O10W 46(3) . . ?
O5W K6B O10W 78.8(10) . . ?
O4W K6B O10W 78.0(9) 6_565 . ?
O11W K6B O10W 67.8(8) 6_565 . ?
O19 K6B O10W 114.3(12) 8_455 . ?
O1 K6B O10W 129.2(16) 2_656 . ?
O14W K6B O15W 137(10) 6_565 6_565 ?
K6A K6B O15W 152(4) . 6_565 ?
O5W K6B O15W 78.4(10) . 6_565 ?
O4W K6B O15W 86.8(13) 6_565 6_565 ?
O11W K6B O15W 97.8(14) 6_565 6_565 ?
O19 K6B O15W 89.8(11) 8_455 6_565 ?
O1 K6B O15W 58.6(7) 2_656 6_565 ?
O10W K6B O15W 154.3(13) . 6_565 ?
O14W K6B K5B 101(10) 6_565 6_565 ?
K6A K6B K5B 162(4) . 6_565 ?
O5W K6B K5B 88.4(11) . 6_565 ?
O4W K6B K5B 45.1(8) 6_565 6_565 ?
O11W K6B K5B 55.6(9) 6_565 6_565 ?
O19 K6B K5B 88.9(11) 8_455 6_565 ?
O1 K6B K5B 102.9(11) 2_656 6_565 ?
O10W K6B K5B 123.1(12) . 6_565 ?
O15W K6B K5B 44.7(7) 6_565 6_565 ?
O14W K6B O6W 35(10) 6_565 . ?
K6A K6B O6W 42(3) . . ?
O5W K6B O6W 103.9(12) . . ?
O4W K6B O6W 80.3(9) 6_565 . ?
O11W K6B O6W 69.4(8) 6_565 . ?
O19 K6B O6W 89.6(9) 8_455 . ?
O1 K6B O6W 134.9(16) 2_656 . ?
O10W K6B O6W 25.1(4) . . ?
O15W K6B O6W 166.3(16) 6_565 . ?
K5B K6B O6W 121.6(12) 6_565 . ?
O14W K6B O50A 42(10) 6_565 . ?
K6A K6B O50A 104(3) . . ?
O5W K6B O50A 131.6(15) . . ?
O4W K6B O50A 50.9(9) 6_565 . ?
O11W K6B O50A 49.6(10) 6_565 . ?
O19 K6B O50A 57.3(8) 8_455 . ?
O1 K6B O50A 135.6(13) 2_656 . ?
O10W K6B O50A 89.9(10) . . ?
O15W K6B O50A 96.4(13) 6_565 . ?
K5B K6B O50A 59.0(9) 6_565 . ?
O6W K6B O50A 71.8(8) . . ?

_refine_diff_density_max         1.168
_refine_diff_density_min         -1.198
_refine_diff_density_rms         0.152

