#------------------------------------------------------------------------------
#$Date: 2019-12-23 18:56:10 +0200 (Mon, 23 Dec 2019) $
#$Revision: 245505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/72/4517246.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4517246
loop_
_publ_author_name
'Alice Heskia'
'Thierry Maris'
'James D. Wuest'
_publ_contact_author_email       thierry.maris@umontreal.ca
_publ_contact_author_id_orcid    0000-0001-9731-4046
_publ_contact_author_name        'Thierry Maris'
_publ_contact_author_phone       '514 340 4177 2579'
_publ_section_title
;
 Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with
 Phosphangulene Chalcogenides
;
_journal_name_full               'Crystal growth and Design'
_journal_page_first              5418
_journal_paper_doi               10.1021/acs.cgd.9b00954
_journal_volume                  19
_journal_year                    2019
_chemical_formula_moiety         '2(C18 H9 O3 P Se), 2(C60), C6 H5 Cl'
_chemical_formula_sum            'C162 H23 Cl O6 P2 Se2'
_chemical_formula_weight         2320.11
_chemical_name_systematic
;
12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-selenone
C60 fullerene chlorobenzene solvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-10-17
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_cell_angle_alpha                90
_cell_angle_beta                 98.284(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.7484(5)
_cell_length_b                   13.2732(4)
_cell_length_c                   42.7568(13)
_cell_measurement_reflns_used    4664
_cell_measurement_temperature    100
_cell_measurement_theta_max      60.581
_cell_measurement_theta_min      3.807
_cell_volume                     8844.3(5)
_computing_cell_refinement
;
SAINT (2013) V8.37A; Integration Software for Single Crystal Data.
Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_data_collection
;
APEX 2 (2013) Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_data_reduction
;
SAINT (2013) V8.37A; Integration Software for Single Crystal Data.
Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CMOS Area detector'
_diffrn_detector_area_resol_mean 10.24
_diffrn_detector_type            'Bruker Photon 100 CMOS Detector'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device       'k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Venture Metaljet'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_collimation    'Focusing mirrors'
_diffrn_radiation_monochromator  'Helios MX Mirror Optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_unetI/netI     0.1074
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            19868
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.664
_diffrn_reflns_theta_min         1.817
_diffrn_source                   'Metal Jet'
_diffrn_source_target            Ga
_diffrn_source_type              'Gallium Liquid Metal Jet Source'
_exptl_absorpt_coefficient_mu    1.527
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1471 before and 0.0944 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
 
For component 2:
 wR2(int) was 0.1551 before and 0.1059 after correction.
 The Ratio of minimum to maximum transmission is 0.42.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 100620 reflections, Rint = 0.1486
 (40511 with I > 3sig(I), Rint = 0.1174)
;
_exptl_crystal_colour            'metallic dark brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             4632
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.880
_refine_diff_density_min         -1.124
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1599
_refine_ls_number_reflns         19868
_refine_ls_number_restraints     885
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.2034
_refine_ls_R_factor_gt           0.1393
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1854P)²+54.5182P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3330
_refine_ls_wR_factor_ref         0.3816
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11911
_reflns_number_total             19868
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jw1870_phangse_c60_phcl.cif
_cod_data_source_block           jw1870
_cod_database_code               4517246
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Se1A Se -0.01468(9) 0.64347(9) 0.67436(4) 0.0591(4) Uani 1 1 d . . . . .
P1A P -0.08277(17) 0.51112(18) 0.67839(7) 0.0397(6) Uani 1 1 d . . . . .
O1A O -0.1101(6) 0.4716(7) 0.7449(2) 0.066(2) Uani 1 1 d . . . . .
C1A C -0.1837(10) 0.5169(9) 0.6935(4) 0.067(4) Uani 1 1 d . U . . .
O2A O -0.2570(6) 0.5210(6) 0.6406(3) 0.072(3) Uani 1 1 d . U . . .
C2A C -0.2604(6) 0.5309(8) 0.6724(3) 0.051(3) Uani 1 1 d . U . . .
O3A O 0.0027(6) 0.3321(6) 0.6563(2) 0.063(2) Uani 1 1 d . U . . .
C3A C -0.3372(8) 0.5344(9) 0.6837(5) 0.077(4) Uani 1 1 d . U . . .
H3A H -0.3899 0.5385 0.6698 0.092 Uiso 1 1 calc R . . . .
C4A C -0.3351(13) 0.5317(9) 0.7155(6) 0.092(5) Uani 1 1 d . U . . .
H4A H -0.3875 0.5433 0.7235 0.110 Uiso 1 1 calc R . . . .
C5A C -0.2620(11) 0.5134(9) 0.7374(5) 0.084(5) Uani 1 1 d . U . . .
H5A H -0.2641 0.5089 0.7595 0.101 Uiso 1 1 calc R . . . .
C6A C -0.1839(10) 0.5017(9) 0.7245(4) 0.074(4) Uani 1 1 d . U . . .
C7A C -0.0373(8) 0.4108(9) 0.7022(4) 0.062(3) Uani 1 1 d . U . . .
C8A C -0.0519(9) 0.4032(9) 0.7347(3) 0.059(3) Uani 1 1 d . U . . .
C9A C -0.0237(11) 0.3250(11) 0.7522(4) 0.078(4) Uani 1 1 d . U . . .
H9A H -0.0358 0.3169 0.7732 0.094 Uiso 1 1 calc R . . . .
C10A C 0.0257(9) 0.2536(11) 0.7379(5) 0.080(5) Uani 1 1 d . U . . .
H10A H 0.0524 0.2008 0.7508 0.096 Uiso 1 1 calc R . . . .
C11A C 0.0368(7) 0.2560(9) 0.7082(4) 0.059(3) Uani 1 1 d . U . . .
H11A H 0.0682 0.2043 0.6997 0.071 Uiso 1 1 calc R . . . .
C12A C 0.0017(8) 0.3358(10) 0.6892(4) 0.066(4) Uani 1 1 d . U . . .
C13A C -0.1207(10) 0.4439(10) 0.6452(3) 0.069(4) Uani 1 1 d . U . . .
C14A C -0.1995(12) 0.4580(11) 0.6287(3) 0.077(4) Uani 1 1 d . U . . .
C15A C -0.2246(15) 0.4071(11) 0.5988(3) 0.091(6) Uani 1 1 d . U . . .
H15A H -0.2778 0.4206 0.5860 0.109 Uiso 1 1 calc R . . . .
C16A C -0.1686(14) 0.3401(12) 0.5903(4) 0.087(5) Uani 1 1 d . U . . .
H16A H -0.1840 0.3069 0.5706 0.105 Uiso 1 1 calc R . . . .
C17A C -0.0897(11) 0.3147(10) 0.6077(3) 0.070(4) Uani 1 1 d . U . . .
H17A H -0.0544 0.2645 0.6004 0.084 Uiso 1 1 calc R . . . .
C18A C -0.0653(10) 0.3624(9) 0.6348(4) 0.065(3) Uani 1 1 d . U . . .
Se1B Se 0.21321(9) -0.10983(9) 0.44909(3) 0.0518(4) Uani 1 1 d . . . . .
P1B P 0.22482(17) 0.02698(17) 0.47294(6) 0.0363(5) Uani 1 1 d . . . . .
O1B O 0.2533(5) -0.0075(5) 0.54305(16) 0.0404(16) Uani 1 1 d . . . . .
C1B C 0.3188(6) 0.0510(6) 0.4985(2) 0.033(2) Uani 1 1 d . . . . .
O2B O 0.3716(4) 0.1494(5) 0.45671(16) 0.0371(15) Uani 1 1 d . . . . .
C2B C 0.3257(7) 0.0281(7) 0.5304(2) 0.040(2) Uani 1 1 d . . . . .
O3B O 0.0667(4) 0.1510(5) 0.45794(17) 0.0392(15) Uani 1 1 d . . . . .
C3B C 0.4024(7) 0.0414(7) 0.5501(2) 0.040(2) Uani 1 1 d . . . . .
H3B H 0.4088 0.0219 0.5717 0.048 Uiso 1 1 calc R . . . .
C4B C 0.4690(7) 0.0841(7) 0.5373(3) 0.043(2) Uani 1 1 d . . . . .
H4B H 0.5234 0.0886 0.5501 0.052 Uiso 1 1 calc R . . . .
C5B C 0.4611(7) 0.1207(7) 0.5068(3) 0.043(2) Uani 1 1 d . . . . .
H5B H 0.5075 0.1539 0.4992 0.052 Uiso 1 1 calc R . . . .
C6B C 0.3831(7) 0.1073(7) 0.4875(2) 0.040(2) Uani 1 1 d . . . . .
C7B C 0.2172(7) 0.1407(7) 0.4518(2) 0.037(2) Uani 1 1 d . . . . .
C8B C 0.2913(6) 0.1877(6) 0.4454(2) 0.036(2) Uani 1 1 d . . . . .
C9B C 0.2858(7) 0.2745(6) 0.4273(2) 0.037(2) Uani 1 1 d . . . . .
H9B H 0.3355 0.3061 0.4216 0.045 Uiso 1 1 calc R . . . .
C10B C 0.2037(7) 0.3136(7) 0.4178(2) 0.043(2) Uani 1 1 d . . . . .
H10B H 0.1979 0.3708 0.4043 0.051 Uiso 1 1 calc R . . . .
C11B C 0.1312(7) 0.2736(7) 0.4270(3) 0.042(2) Uani 1 1 d . . . . .
H11B H 0.0769 0.3043 0.4209 0.051 Uiso 1 1 calc R . . . .
C12B C 0.1383(7) 0.1876(7) 0.4455(2) 0.039(2) Uani 1 1 d . . . . .
C13B C 0.1522(7) 0.0575(7) 0.4991(3) 0.039(2) Uani 1 1 d . . . . .
C14B C 0.0797(7) 0.1121(7) 0.4881(2) 0.037(2) Uani 1 1 d . . . . .
C15B C 0.0197(7) 0.1289(8) 0.5090(3) 0.045(3) Uani 1 1 d . . . . .
H15B H -0.0310 0.1669 0.5026 0.054 Uiso 1 1 calc R . . . .
C16B C 0.0364(7) 0.0886(8) 0.5388(3) 0.043(2) Uani 1 1 d . . . . .
H16B H -0.0078 0.0917 0.5517 0.051 Uiso 1 1 calc R . . . .
C17B C 0.1115(8) 0.0449(8) 0.5512(3) 0.049(3) Uani 1 1 d . . . . .
H17B H 0.1226 0.0260 0.5728 0.059 Uiso 1 1 calc R . . . .
C18B C 0.1717(7) 0.0290(7) 0.5309(2) 0.038(2) Uani 1 1 d . . . . .
C1C C 0.0516(7) 0.5287(9) 0.5616(4) 0.059(2) Uani 1 1 d . U . . .
C2C C 0.0702(6) 0.6212(9) 0.5450(3) 0.054(2) Uani 1 1 d . U . . .
C3C C 0.0983(8) 0.6119(9) 0.5166(3) 0.056(2) Uani 1 1 d . U . . .
C4C C 0.1147(9) 0.5119(11) 0.5037(4) 0.066(3) Uani 1 1 d . U . . .
C5C C 0.0974(8) 0.4277(10) 0.5194(4) 0.066(3) Uani 1 1 d . U . . .
C6C C 0.0663(7) 0.4353(10) 0.5484(4) 0.066(3) Uani 1 1 d . U . . .
C7C C 0.1056(8) 0.3526(8) 0.5694(4) 0.062(2) Uani 1 1 d . U . . .
C8C C 0.1636(8) 0.3000(9) 0.5502(4) 0.060(2) Uani 1 1 d . U . . .
C9C C 0.1590(9) 0.3412(9) 0.5204(4) 0.063(2) Uani 1 1 d . U . . .
C10C C 0.2264(10) 0.3518(9) 0.5064(3) 0.063(3) Uani 1 1 d . U . . .
C11C C 0.3146(9) 0.3110(8) 0.5223(3) 0.059(2) Uani 1 1 d . U . . .
C12C C 0.3177(7) 0.2684(7) 0.5523(3) 0.051(2) Uani 1 1 d . U . . .
C13C C 0.2395(8) 0.2615(7) 0.5657(3) 0.055(2) Uani 1 1 d . U . . .
C14C C 0.2623(10) 0.2797(8) 0.6005(4) 0.064(2) Uani 1 1 d . U . . .
C15C C 0.2097(10) 0.3301(9) 0.6165(4) 0.068(3) Uani 1 1 d . U . . .
C16C C 0.1286(9) 0.3693(9) 0.6003(4) 0.067(3) Uani 1 1 d . U . . .
C17C C 0.1151(9) 0.4666(10) 0.6152(4) 0.067(3) Uani 1 1 d . U . . .
C18C C 0.1858(10) 0.4900(11) 0.6384(4) 0.070(3) Uani 1 1 d . U . . .
C19C C 0.2465(11) 0.4047(10) 0.6405(3) 0.067(3) Uani 1 1 d . U . . .
C20C C 0.3362(11) 0.4232(11) 0.6459(3) 0.068(3) Uani 1 1 d . U . . .
C21C C 0.3900(10) 0.3703(10) 0.6290(3) 0.066(3) Uani 1 1 d . U . . .
C22C C 0.3563(9) 0.2984(9) 0.6061(3) 0.060(2) Uani 1 1 d . U . . .
C23C C 0.3872(8) 0.2901(8) 0.5764(3) 0.057(2) Uani 1 1 d . U . . .
C24C C 0.4517(7) 0.3533(8) 0.5704(4) 0.057(2) Uani 1 1 d . U . . .
C25C C 0.4888(7) 0.4272(9) 0.5926(4) 0.061(2) Uani 1 1 d . U . . .
C26C C 0.4576(9) 0.4345(10) 0.6210(3) 0.065(3) Uani 1 1 d . U . . .
C27C C 0.4434(10) 0.5364(11) 0.6344(4) 0.071(3) Uani 1 1 d . U . . .
C28C C 0.4587(9) 0.6202(10) 0.6186(4) 0.067(3) Uani 1 1 d . U . . .
C29C C 0.4893(8) 0.6125(10) 0.5883(4) 0.067(3) Uani 1 1 d . U . . .
C30C C 0.5051(7) 0.5208(9) 0.5759(4) 0.063(3) Uani 1 1 d . U . . .
C31C C 0.4783(8) 0.5052(9) 0.5419(4) 0.064(2) Uani 1 1 d . U . . .
C32C C 0.4450(7) 0.3990(9) 0.5376(4) 0.059(2) Uani 1 1 d . U . . .
C33C C 0.3787(9) 0.3808(9) 0.5146(3) 0.062(3) Uani 1 1 d . U . . .
C34C C 0.3361(10) 0.4586(10) 0.4947(3) 0.061(3) Uani 1 1 d . U . . .
C35C C 0.3686(10) 0.5567(10) 0.4989(3) 0.065(3) Uani 1 1 d . U . . .
C36C C 0.3112(10) 0.6439(9) 0.4979(3) 0.060(2) Uani 1 1 d . U . . .
C37C C 0.2241(10) 0.6231(10) 0.4923(3) 0.060(2) Uani 1 1 d . U . . .
C38C C 0.1659(9) 0.6770(9) 0.5089(3) 0.058(2) Uani 1 1 d . U . . .
C39C C 0.2029(8) 0.7486(8) 0.5318(3) 0.052(2) Uani 1 1 d . U . . .
C40C C 0.2915(9) 0.7668(8) 0.5373(3) 0.059(2) Uani 1 1 d . U . . .
C41C C 0.3437(9) 0.7183(8) 0.5207(3) 0.060(2) Uani 1 1 d . U . . .
C42C C 0.4271(8) 0.6783(9) 0.5370(4) 0.064(2) Uani 1 1 d . U . . .
C43C C 0.4508(8) 0.6936(8) 0.5675(4) 0.062(2) Uani 1 1 d . U . . .
C44C C 0.3956(8) 0.7483(8) 0.5877(4) 0.064(3) Uani 1 1 d . U . . .
C45C C 0.3180(7) 0.7865(7) 0.5728(3) 0.051(2) Uani 1 1 d . U . . .
C46C C 0.2395(7) 0.7793(7) 0.5857(3) 0.046(2) Uani 1 1 d . U . . .
C47C C 0.1698(7) 0.7577(7) 0.5613(3) 0.047(2) Uani 1 1 d . U . . .
C48C C 0.1053(6) 0.6929(7) 0.5682(3) 0.049(2) Uani 1 1 d . U . . .
C49C C 0.1105(8) 0.6466(9) 0.5999(3) 0.059(2) Uani 1 1 d . U . . .
C50C C 0.1775(9) 0.6658(9) 0.6228(3) 0.059(2) Uani 1 1 d . U . . .
C51C C 0.2195(11) 0.5866(10) 0.6439(3) 0.067(3) Uani 1 1 d . U . . .
C52C C 0.3093(11) 0.6036(12) 0.6485(3) 0.071(3) Uani 1 1 d . U . . .
C53C C 0.3270(10) 0.6961(9) 0.6315(3) 0.061(2) Uani 1 1 d . U . . .
C54C C 0.2421(9) 0.7350(9) 0.6157(3) 0.057(2) Uani 1 1 d . U . . .
C55C C 0.3986(9) 0.7042(9) 0.6170(4) 0.064(3) Uani 1 1 d . U . . .
C56C C 0.4390(9) 0.5795(10) 0.5228(4) 0.066(3) Uani 1 1 d . U . . .
C57C C 0.0765(8) 0.5416(9) 0.5958(4) 0.062(2) Uani 1 1 d . U . . .
C58C C 0.2483(10) 0.4423(11) 0.4900(3) 0.065(3) Uani 1 1 d . U . . .
C59C C 0.1908(9) 0.5171(11) 0.4886(3) 0.062(2) Uani 1 1 d . U . . .
C60C C 0.3663(11) 0.5269(11) 0.6497(3) 0.069(3) Uani 1 1 d . U . . .
C1D C 0.8518(11) 0.1284(14) 0.7328(5) 0.093(3) Uani 1 1 d . U . . .
C2D C 0.8215(10) 0.2095(10) 0.7108(5) 0.081(3) Uani 1 1 d . U . . .
C3D C 0.8176(9) 0.1975(10) 0.6774(5) 0.079(3) Uani 1 1 d . U . . .
C4D C 0.8473(10) 0.1016(12) 0.6651(5) 0.084(3) Uani 1 1 d . U . . .
C5D C 0.8785(8) 0.0302(12) 0.6843(5) 0.081(3) Uani 1 1 d . U . . .
C6D C 0.8817(8) 0.0408(12) 0.7206(5) 0.086(3) Uani 1 1 d . U . . .
C7D C 0.8602(9) -0.0530(13) 0.7324(5) 0.082(3) Uani 1 1 d . U . . .
C8D C 0.8113(11) -0.0579(14) 0.7575(4) 0.083(3) Uani 1 1 d . U . . .
C9D C 0.7810(13) 0.0304(17) 0.7694(4) 0.094(4) Uani 1 1 d . U . . .
C10D C 0.8030(12) 0.1301(15) 0.7567(4) 0.091(3) Uani 1 1 d . U . . .
C11D C 0.7410(14) 0.2066(14) 0.7531(5) 0.100(4) Uani 1 1 d . U . . .
C12D C 0.7483(12) 0.2585(11) 0.7215(5) 0.088(3) Uani 1 1 d . U . . .
C13D C 0.6814(11) 0.2889(9) 0.7011(5) 0.086(3) Uani 1 1 d . U . . .
C14D C 0.5916(11) 0.2747(11) 0.7082(6) 0.093(3) Uani 1 1 d . U . . .
C15D C 0.5883(13) 0.2306(12) 0.7357(5) 0.094(3) Uani 1 1 d . U . . .
C16D C 0.6619(13) 0.1925(14) 0.7592(5) 0.098(4) Uani 1 1 d . U . . .
C17D C 0.6369(13) 0.0945(15) 0.7720(3) 0.087(3) Uani 1 1 d . U . . .
C18D C 0.5551(12) 0.0753(14) 0.7599(4) 0.084(3) Uani 1 1 d . U . . .
C19D C 0.5176(11) 0.1517(14) 0.7377(5) 0.087(3) Uani 1 1 d . U . . .
C20D C 0.4637(9) 0.1321(13) 0.7112(5) 0.082(3) Uani 1 1 d . U . . .
C21D C 0.4738(8) 0.1775(11) 0.6818(5) 0.077(3) Uani 1 1 d . U . . .
C22D C 0.5349(10) 0.2464(11) 0.6810(5) 0.091(3) Uani 1 1 d . U . . .
C23D C 0.5881(12) 0.2535(12) 0.6559(5) 0.094(3) Uani 1 1 d . U . . .
C24D C 0.6818(11) 0.2769(10) 0.6701(5) 0.086(3) Uani 1 1 d . U . . .
C25D C 0.7434(11) 0.2351(10) 0.6577(4) 0.078(3) Uani 1 1 d . U . . .
C26D C 0.7281(14) 0.1600(14) 0.6314(5) 0.093(3) Uani 1 1 d . U . . .
C27D C 0.6522(14) 0.1356(15) 0.6188(4) 0.091(3) Uani 1 1 d . U . . .
C28D C 0.5722(13) 0.1919(14) 0.6337(5) 0.096(3) Uani 1 1 d . U . . .
C29D C 0.5068(11) 0.1133(14) 0.6309(4) 0.084(3) Uani 1 1 d . U . . .
C30D C 0.4579(10) 0.1062(16) 0.6546(5) 0.093(3) Uani 1 1 d . U . . .
C31D C 0.4378(9) 0.0139(15) 0.6682(5) 0.090(3) Uani 1 1 d . U . . .
C32D C 0.4649(10) -0.0768(15) 0.6575(5) 0.097(3) Uani 1 1 d . U . . .
C33D C 0.5170(11) -0.0747(14) 0.6311(4) 0.087(3) Uani 1 1 d . U . . .
C34D C 0.5389(12) 0.0238(17) 0.6185(4) 0.093(3) Uani 1 1 d . U . . .
C35D C 0.6192(12) 0.0368(15) 0.6113(3) 0.084(3) Uani 1 1 d . U . . .
C36D C 0.6826(12) -0.0428(14) 0.6162(3) 0.080(3) Uani 1 1 d . U . . .
C37D C 0.7685(11) -0.0226(13) 0.6296(4) 0.080(3) Uani 1 1 d . U . . .
C38D C 0.7950(12) 0.0811(13) 0.6379(4) 0.086(3) Uani 1 1 d . U . . .
C39D C 0.8003(11) -0.1012(12) 0.6505(4) 0.079(3) Uani 1 1 d . U . . .
C40D C 0.7333(12) -0.1758(11) 0.6522(5) 0.086(3) Uani 1 1 d . U . . .
C41D C 0.6561(13) -0.1372(13) 0.6302(4) 0.090(3) Uani 1 1 d . U . . .
C42D C 0.5811(13) -0.1516(13) 0.6366(4) 0.090(3) Uani 1 1 d . U . . .
C43D C 0.5695(11) -0.2040(10) 0.6664(4) 0.080(3) Uani 1 1 d . U . . .
C44D C 0.6380(12) -0.2361(10) 0.6875(5) 0.087(3) Uani 1 1 d . U . . .
C45D C 0.7237(10) -0.2197(8) 0.6797(5) 0.081(3) Uani 1 1 d . U . . .
C46D C 0.7790(11) -0.1956(11) 0.7074(5) 0.088(3) Uani 1 1 d . U . . .
C47D C 0.8455(8) -0.1235(9) 0.7060(4) 0.068(3) Uani 1 1 d . U . . .
C48D C 0.8535(9) -0.0792(11) 0.6773(4) 0.078(3) Uani 1 1 d . U . . .
C49D C 0.7299(11) -0.2008(11) 0.7322(5) 0.089(3) Uani 1 1 d . U . . .
C50D C 0.7471(13) -0.1363(14) 0.7552(5) 0.092(3) Uani 1 1 d . U . . .
C51D C 0.6742(13) -0.0829(15) 0.7702(4) 0.091(3) Uani 1 1 d . U . . .
C52D C 0.5935(14) -0.1058(15) 0.7582(4) 0.093(3) Uani 1 1 d . U . . .
C53D C 0.5773(11) -0.1836(11) 0.7306(5) 0.084(3) Uani 1 1 d . U . . .
C54D C 0.6381(12) -0.2249(11) 0.7182(5) 0.086(3) Uani 1 1 d . U . . .
C55D C 0.5279(12) -0.0336(14) 0.7522(4) 0.087(3) Uani 1 1 d . U . . .
C56D C 0.4741(11) -0.0527(14) 0.7256(5) 0.092(3) Uani 1 1 d . U . . .
C57D C 0.5014(10) -0.1452(11) 0.7122(5) 0.084(3) Uani 1 1 d . U . . .
C58D C 0.4966(9) -0.1537(11) 0.6780(5) 0.083(3) Uani 1 1 d . U . . .
C59D C 0.4412(9) 0.0227(14) 0.7055(5) 0.088(3) Uani 1 1 d . U . . .
C60D C 0.7023(12) 0.0159(16) 0.7773(3) 0.087(3) Uani 1 1 d . U . . .
Cl1E Cl 0.2333(4) 1.1347(5) 0.6750(2) 0.103(3) Uani 0.610(8) 1 d D U P A 1
C1E C 0.1561(8) 1.0458(9) 0.6578(4) 0.081(3) Uani 0.610(8) 1 d D U P A 1
C2E C 0.0877(10) 1.0898(8) 0.6384(4) 0.078(4) Uani 0.610(8) 1 d DG U P A 1
H2E H 0.0871 1.1604 0.6348 0.094 Uiso 0.610(8) 1 calc R . P A 1
C3E C 0.0201(9) 1.0304(11) 0.6243(4) 0.082(4) Uani 0.610(8) 1 d DG U P A 1
H3E H -0.0267 1.0605 0.6111 0.098 Uiso 0.610(8) 1 calc R . P A 1
C4E C 0.0210(9) 0.9271(10) 0.6296(4) 0.082(4) Uani 0.610(8) 1 d DG U P A 1
H4E H -0.0252 0.8865 0.6200 0.098 Uiso 0.610(8) 1 calc R . P A 1
C5E C 0.0894(10) 0.8831(8) 0.6490(4) 0.081(3) Uani 0.610(8) 1 d DG U P A 1
H5E H 0.0900 0.8124 0.6526 0.097 Uiso 0.610(8) 1 calc R . P A 1
C6E C 0.1570(9) 0.9424(10) 0.6631(4) 0.080(3) Uani 0.610(8) 1 d DG U P A 1
H6E H 0.2038 0.9124 0.6764 0.096 Uiso 0.610(8) 1 calc R . P A 1
Cl1F Cl -0.0152(8) 0.9989(11) 0.6132(4) 0.110(4) Uani 0.390(8) 1 d D U P A 2
C1F C 0.0808(10) 0.9683(16) 0.6386(5) 0.083(3) Uani 0.390(8) 1 d D U P A 2
C2F C 0.0742(10) 0.8768(16) 0.6538(6) 0.082(4) Uani 0.390(8) 1 d DG U P A 2
H2F H 0.0217 0.8404 0.6506 0.099 Uiso 0.390(8) 1 calc R . P A 2
C3F C 0.1443(13) 0.8385(13) 0.6737(6) 0.081(4) Uani 0.390(8) 1 d DG U P A 2
H3F H 0.1398 0.7759 0.6841 0.097 Uiso 0.390(8) 1 calc R . P A 2
C4F C 0.2211(11) 0.8917(15) 0.6783(5) 0.073(4) Uani 0.390(8) 1 d DG U P A 2
H4F H 0.2691 0.8655 0.6919 0.088 Uiso 0.390(8) 1 calc R . P A 2
C5F C 0.2278(10) 0.9832(15) 0.6631(6) 0.083(4) Uani 0.390(8) 1 d DG U P A 2
H5F H 0.2803 1.0196 0.6663 0.100 Uiso 0.390(8) 1 calc R . P A 2
C6F C 0.1576(12) 1.0216(14) 0.6432(6) 0.082(4) Uani 0.390(8) 1 d DG U P A 2
H6F H 0.1621 1.0841 0.6328 0.098 Uiso 0.390(8) 1 calc R . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0140 0.0070 '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'
Cl Cl 0.3280 0.5430 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0390 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2540 0.3330 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -1.0830 0.8880 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1A P1A Se1A 119.1(4) . .
C7A P1A Se1A 121.0(4) . .
C7A P1A C1A 97.6(7) . .
C13A P1A Se1A 119.7(4) . .
C13A P1A C1A 95.6(7) . .
C13A P1A C7A 98.5(7) . .
C8A O1A C6A 120.7(11) . .
C2A C1A P1A 119.7(11) . .
C6A C1A P1A 118.4(13) . .
C6A C1A C2A 121.8(14) . .
C2A O2A C14A 122.8(11) . .
O2A C2A C1A 117.9(11) . .
C3A C2A C1A 119.9(14) . .
C3A C2A O2A 121.0(13) . .
C18A O3A C12A 122.6(11) . .
C2A C3A H3A 121.4 . .
C4A C3A C2A 117.3(15) . .
C4A C3A H3A 121.4 . .
C3A C4A H4A 117.4 . .
C3A C4A C5A 125.2(16) . .
C5A C4A H4A 117.4 . .
C4A C5A H5A 122.3 . .
C4A C5A C6A 115.5(18) . .
C6A C5A H5A 122.3 . .
O1A C6A C5A 118.1(16) . .
C1A C6A O1A 122.4(13) . .
C1A C6A C5A 119.5(18) . .
C8A C7A P1A 120.0(11) . .
C12A C7A P1A 119.8(12) . .
C12A C7A C8A 119.7(14) . .
O1A C8A C7A 117.0(12) . .
C9A C8A O1A 121.1(14) . .
C9A C8A C7A 120.9(14) . .
C8A C9A H9A 121.9 . .
C8A C9A C10A 116.3(16) . .
C10A C9A H9A 121.9 . .
C9A C10A H10A 118.0 . .
C11A C10A C9A 124.1(14) . .
C11A C10A H10A 118.0 . .
C10A C11A H11A 120.5 . .
C10A C11A C12A 119.1(15) . .
C12A C11A H11A 120.5 . .
C7A C12A O3A 120.9(13) . .
C7A C12A C11A 119.4(15) . .
C11A C12A O3A 119.5(13) . .
C14A C13A P1A 123.1(14) . .
C14A C13A C18A 118.4(14) . .
C18A C13A P1A 118.4(12) . .
O2A C14A C15A 119.7(17) . .
C13A C14A O2A 119.6(14) . .
C13A C14A C15A 120.7(18) . .
C14A C15A H15A 121.9 . .
C16A C15A C14A 116.2(18) . .
C16A C15A H15A 121.9 . .
C15A C16A H16A 117.0 . .
C15A C16A C17A 125.9(16) . .
C17A C16A H16A 117.0 . .
C16A C17A H17A 120.9 . .
C18A C17A C16A 118.3(16) . .
C18A C17A H17A 120.9 . .
O3A C18A C13A 116.6(12) . .
C17A C18A O3A 123.0(14) . .
C17A C18A C13A 119.8(15) . .
C1B P1B Se1B 118.4(3) . .
C1B P1B C7B 98.9(4) . .
C1B P1B C13B 97.5(5) . .
C7B P1B Se1B 120.2(3) . .
C7B P1B C13B 97.3(5) . .
C13B P1B Se1B 119.6(3) . .
C18B O1B C2B 119.3(7) . .
C2B C1B P1B 121.2(7) . .
C2B C1B C6B 119.3(9) . .
C6B C1B P1B 118.8(8) . .
C8B O2B C6B 117.3(7) . .
C1B C2B O1B 119.7(9) . .
C3B C2B O1B 119.6(9) . .
C3B C2B C1B 120.7(10) . .
C14B O3B C12B 117.7(8) . .
C2B C3B H3B 121.3 . .
C4B C3B C2B 117.5(10) . .
C4B C3B H3B 121.3 . .
C3B C4B H4B 118.3 . .
C3B C4B C5B 123.4(11) . .
C5B C4B H4B 118.3 . .
C4B C5B H5B 121.1 . .
C4B C5B C6B 117.8(11) . .
C6B C5B H5B 121.1 . .
C1B C6B O2B 121.4(9) . .
C5B C6B C1B 119.6(10) . .
C5B C6B O2B 118.9(9) . .
C8B C7B P1B 119.5(8) . .
C12B C7B P1B 118.7(7) . .
C12B C7B C8B 121.3(8) . .
O2B C8B C7B 121.2(8) . .
C9B C8B O2B 118.9(9) . .
C9B C8B C7B 119.9(9) . .
C8B C9B H9B 121.6 . .
C8B C9B C10B 116.8(10) . .
C10B C9B H9B 121.6 . .
C9B C10B H10B 118.4 . .
C11B C10B C9B 123.3(9) . .
C11B C10B H10B 118.4 . .
C10B C11B H11B 120.6 . .
C10B C11B C12B 118.9(10) . .
C12B C11B H11B 120.6 . .
C7B C12B O3B 121.5(8) . .
C7B C12B C11B 118.6(9) . .
C11B C12B O3B 119.9(9) . .
C14B C13B P1B 119.2(8) . .
C14B C13B C18B 121.9(10) . .
C18B C13B P1B 118.8(8) . .
O3B C14B C15B 120.7(9) . .
C13B C14B O3B 121.4(9) . .
C13B C14B C15B 117.9(10) . .
C14B C15B H15B 121.0 . .
C16B C15B C14B 118.0(10) . .
C16B C15B H15B 121.0 . .
C15B C16B H16B 117.7 . .
C17B C16B C15B 124.7(10) . .
C17B C16B H16B 117.7 . .
C16B C17B H17B 121.4 . .
C16B C17B C18B 117.2(11) . .
C18B C17B H17B 121.4 . .
C13B C18B O1B 121.0(9) . .
C17B C18B O1B 119.4(9) . .
C17B C18B C13B 119.3(10) . .
C6C C1C C2C 119.3(13) . .
C6C C1C C57C 118.1(13) . .
C57C C1C C2C 109.9(11) . .
C3C C2C C1C 118.1(11) . .
C3C C2C C48C 122.6(11) . .
C48C C2C C1C 107.8(12) . .
C2C C3C C4C 120.8(12) . .
C2C C3C C38C 119.7(11) . .
C38C C3C C4C 106.2(12) . .
C5C C4C C3C 120.1(14) . .
C5C C4C C59C 120.2(13) . .
C59C C4C C3C 109.0(12) . .
C4C C5C C6C 120.1(13) . .
C4C C5C C9C 118.1(13) . .
C6C C5C C9C 109.8(13) . .
C1C C6C C5C 121.5(14) . .
C1C C6C C7C 119.1(14) . .
C5C C6C C7C 108.2(12) . .
C8C C7C C6C 104.3(13) . .
C16C C7C C6C 120.1(12) . .
C16C C7C C8C 121.5(13) . .
C9C C8C C7C 111.7(12) . .
C9C C8C C13C 121.1(12) . .
C13C C8C C7C 117.9(13) . .
C8C C9C C5C 106.0(12) . .
C10C C9C C5C 118.2(13) . .
C10C C9C C8C 122.1(14) . .
C9C C10C C11C 119.9(13) . .
C9C C10C C58C 125.2(13) . .
C58C C10C C11C 103.9(12) . .
C12C C11C C10C 117.0(11) . .
C12C C11C C33C 122.4(13) . .
C33C C11C C10C 106.7(12) . .
C11C C12C C13C 118.3(12) . .
C11C C12C C23C 120.5(11) . .
C23C C12C C13C 109.8(12) . .
C8C C13C C12C 121.3(12) . .
C8C C13C C14C 119.0(12) . .
C12C C13C C14C 106.8(11) . .
C15C C14C C13C 120.9(14) . .
C15C C14C C22C 121.0(14) . .
C22C C14C C13C 106.1(11) . .
C14C C15C C16C 120.4(15) . .
C14C C15C C19C 118.8(14) . .
C16C C15C C19C 108.5(12) . .
C7C C16C C15C 120.1(13) . .
C7C C16C C17C 122.6(13) . .
C15C C16C C17C 106.3(14) . .
C18C C17C C16C 110.4(13) . .
C57C C17C C16C 116.9(14) . .
C57C C17C C18C 119.9(13) . .
C17C C18C C19C 108.1(14) . .
C51C C18C C17C 124.1(14) . .
C51C C18C C19C 117.9(15) . .
C18C C19C C15C 106.6(14) . .
C20C C19C C15C 120.6(13) . .
C20C C19C C18C 119.9(13) . .
C19C C20C C60C 118.7(13) . .
C21C C20C C19C 119.8(14) . .
C21C C20C C60C 108.9(15) . .
C20C C21C C22C 120.5(14) . .
C20C C21C C26C 110.7(13) . .
C22C C21C C26C 116.8(14) . .
C21C C22C C14C 119.3(13) . .
C21C C22C C23C 121.7(13) . .
C23C C22C C14C 107.7(12) . .
C12C C23C C22C 109.6(11) . .
C24C C23C C12C 120.1(13) . .
C24C C23C C22C 118.4(13) . .
C23C C24C C25C 122.6(13) . .
C23C C24C C32C 117.6(12) . .
C25C C24C C32C 107.9(11) . .
C24C C25C C30C 109.8(13) . .
C26C C25C C24C 118.0(13) . .
C26C C25C C30C 118.5(12) . .
C21C C26C C27C 106.6(14) . .
C25C C26C C21C 122.4(13) . .
C25C C26C C27C 119.6(13) . .
C28C C27C C26C 120.4(15) . .
C28C C27C C60C 121.1(14) . .
C60C C27C C26C 105.9(13) . .
C27C C28C C29C 120.0(13) . .
C27C C28C C55C 119.6(15) . .
C29C C28C C55C 108.0(13) . .
C28C C29C C43C 109.2(12) . .
C30C C29C C28C 120.9(14) . .
C30C C29C C43C 120.0(15) . .
C29C C30C C25C 120.5(14) . .
C29C C30C C31C 117.9(13) . .
C31C C30C C25C 108.5(11) . .
C30C C31C C32C 107.3(12) . .
C56C C31C C30C 121.9(12) . .
C56C C31C C32C 118.8(14) . .
C31C C32C C24C 106.5(12) . .
C33C C32C C24C 123.0(12) . .
C33C C32C C31C 118.4(13) . .
C32C C33C C11C 116.3(13) . .
C32C C33C C34C 123.2(12) . .
C34C C33C C11C 108.2(13) . .
C35C C34C C33C 117.3(14) . .
C58C C34C C33C 110.1(13) . .
C58C C34C C35C 120.2(13) . .
C34C C35C C36C 121.2(13) . .
C34C C35C C56C 121.4(14) . .
C56C C35C C36C 105.5(12) . .
C37C C36C C35C 116.1(12) . .
C37C C36C C41C 120.1(13) . .
C41C C36C C35C 111.4(13) . .
C36C C37C C38C 120.4(12) . .
C36C C37C C59C 121.8(13) . .
C38C C37C C59C 106.5(13) . .
C37C C38C C3C 111.1(12) . .
C39C C38C C3C 118.9(12) . .
C39C C38C C37C 116.4(13) . .
C38C C39C C47C 119.6(11) . .
C40C C39C C38C 122.0(12) . .
C40C C39C C47C 108.3(11) . .
C39C C40C C45C 108.6(11) . .
C41C C40C C39C 120.3(13) . .
C41C C40C C45C 120.6(13) . .
C36C C41C C42C 106.1(11) . .
C40C C41C C36C 120.8(13) . .
C40C C41C C42C 119.6(14) . .
C43C C42C C41C 120.7(13) . .
C43C C42C C56C 120.8(13) . .
C56C C42C C41C 106.4(12) . .
C29C C43C C44C 103.2(13) . .
C42C C43C C29C 121.2(12) . .
C42C C43C C44C 122.6(13) . .
C45C C44C C43C 117.2(14) . .
C55C C44C C43C 111.8(12) . .
C55C C44C C45C 119.0(13) . .
C44C C45C C40C 119.1(12) . .
C44C C45C C46C 123.5(12) . .
C46C C45C C40C 104.1(10) . .
C45C C46C C47C 110.3(11) . .
C54C C46C C45C 117.9(11) . .
C54C C46C C47C 120.0(11) . .
C46C C47C C39C 108.7(10) . .
C48C C47C C39C 120.0(10) . .
C48C C47C C46C 118.4(11) . .
C2C C48C C49C 108.9(10) . .
C47C C48C C2C 119.1(12) . .
C47C C48C C49C 120.2(11) . .
C48C C49C C57C 108.0(12) . .
C50C C49C C48C 121.2(12) . .
C50C C49C C57C 119.3(13) . .
C49C C50C C51C 122.7(13) . .
C49C C50C C54C 118.1(13) . .
C54C C50C C51C 108.3(13) . .
C18C C51C C50C 115.2(14) . .
C18C C51C C52C 121.2(14) . .
C52C C51C C50C 108.8(13) . .
C51C C52C C53C 108.6(13) . .
C60C C52C C51C 121.9(15) . .
C60C C52C C53C 118.2(15) . .
C52C C53C C54C 106.9(13) . .
C55C C53C C52C 121.1(13) . .
C55C C53C C54C 120.5(12) . .
C46C C54C C50C 122.1(12) . .
C46C C54C C53C 117.6(11) . .
C50C C54C C53C 107.3(12) . .
C44C C55C C28C 107.8(13) . .
C53C C55C C28C 119.4(13) . .
C53C C55C C44C 121.6(13) . .
C31C C56C C35C 120.7(13) . .
C31C C56C C42C 118.1(14) . .
C35C C56C C42C 110.6(12) . .
C1C C57C C49C 105.4(11) . .
C17C C57C C1C 123.1(12) . .
C17C C57C C49C 118.8(14) . .
C34C C58C C10C 111.1(13) . .
C59C C58C C10C 115.3(13) . .
C59C C58C C34C 123.0(13) . .
C4C C59C C37C 107.3(12) . .
C58C C59C C4C 122.9(14) . .
C58C C59C C37C 117.8(13) . .
C20C C60C C27C 108.0(13) . .
C52C C60C C20C 120.2(15) . .
C52C C60C C27C 120.5(14) . .
C6D C1D C2D 118.2(19) . .
C10D C1D C2D 107.6(18) . .
C10D C1D C6D 123.7(19) . .
C3D C2D C1D 121.5(15) . .
C3D C2D C12D 116.2(16) . .
C12D C2D C1D 109.2(18) . .
C2D C3D C4D 118.7(16) . .
C25D C3D C2D 117.7(14) . .
C25D C3D C4D 111.3(16) . .
C5D C4D C3D 120.9(18) . .
C5D C4D C38D 121.5(17) . .
C38D C4D C3D 107.2(17) . .
C4D C5D C6D 121.2(16) . .
C4D C5D C48D 120.4(17) . .
C48D C5D C6D 104.7(14) . .
C1D C6D C5D 119.3(16) . .
C1D C6D C7D 119.8(19) . .
C7D C6D C5D 107.8(15) . .
C6D C7D C8D 120.1(17) . .
C6D C7D C47D 108.1(16) . .
C8D C7D C47D 121.1(16) . .
C7D C8D C50D 115.7(18) . .
C9D C8D C7D 119.6(17) . .
C9D C8D C50D 111.0(18) . .
C8D C9D C10D 120.4(18) . .
C60D C9D C8D 110(2) . .
C60D C9D C10D 119(2) . .
C1D C10D C9D 116.4(18) . .
C1D C10D C11D 112.8(19) . .
C11D C10D C9D 119.2(19) . .
C10D C11D C12D 106.4(17) . .
C16D C11D C10D 123(2) . .
C16D C11D C12D 115(2) . .
C2D C12D C11D 103.8(17) . .
C13D C12D C2D 121.3(18) . .
C13D C12D C11D 124.1(17) . .
C12D C13D C14D 121(2) . .
C12D C13D C24D 119.9(17) . .
C24D C13D C14D 109.0(18) . .
C15D C14D C13D 113.3(19) . .
C15D C14D C22D 121.0(17) . .
C22D C14D C13D 111.6(19) . .
C14D C15D C16D 128.1(19) . .
C14D C15D C19D 118(2) . .
C16D C15D C19D 103.1(16) . .
C11D C16D C15D 119(2) . .
C11D C16D C17D 120(2) . .
C17D C16D C15D 108.7(16) . .
C18D C17D C16D 108.4(18) . .
C18D C17D C60D 122.7(18) . .
C60D C17D C16D 117.7(18) . .
C17D C18D C19D 113.3(18) . .
C17D C18D C55D 119.1(18) . .
C19D C18D C55D 116.3(17) . .
C18D C19D C15D 106.4(17) . .
C20D C19D C15D 117.3(18) . .
C20D C19D C18D 124.4(18) . .
C19D C20D C21D 121.8(16) . .
C19D C20D C59D 115.4(17) . .
C21D C20D C59D 108.7(17) . .
C20D C21D C30D 113.0(15) . .
C22D C21D C20D 119.3(18) . .
C22D C21D C30D 117.0(17) . .
C14D C22D C23D 103.2(16) . .
C21D C22D C14D 122.2(19) . .
C21D C22D C23D 124(2) . .
C22D C23D C24D 109.8(19) . .
C28D C23D C22D 116.3(19) . .
C28D C23D C24D 120.4(19) . .
C13D C24D C23D 106.0(17) . .
C25D C24D C13D 124.7(18) . .
C25D C24D C23D 118.7(19) . .
C3D C25D C26D 104.0(15) . .
C24D C25D C3D 120.2(18) . .
C24D C25D C26D 122.9(18) . .
C27D C26D C25D 121.7(19) . .
C27D C26D C38D 119.7(19) . .
C38D C26D C25D 107.3(17) . .
C26D C27D C28D 115.9(18) . .
C26D C27D C35D 128(2) . .
C35D C27D C28D 103.1(16) . .
C23D C28D C27D 120.2(19) . .
C23D C28D C29D 126(2) . .
C29D C28D C27D 102.2(16) . .
C30D C29D C28D 117.1(19) . .
C30D C29D C34D 119.2(18) . .
C34D C29D C28D 110.1(17) . .
C29D C30D C21D 119.2(18) . .
C29D C30D C31D 123.4(19) . .
C31D C30D C21D 104.6(16) . .
C30D C31D C59D 111.8(17) . .
C32D C31D C30D 121.5(19) . .
C32D C31D C59D 115.4(18) . .
C31D C32D C33D 117.8(18) . .
C31D C32D C58D 122(2) . .
C58D C32D C33D 107.8(17) . .
C34D C33D C32D 118.4(17) . .
C42D C33D C32D 108.3(17) . .
C42D C33D C34D 119.8(17) . .
C29D C34D C33D 119.5(18) . .
C35D C34D C29D 111.8(19) . .
C35D C34D C33D 118.1(19) . .
C27D C35D C36D 114.6(17) . .
C34D C35D C27D 112.7(19) . .
C34D C35D C36D 121.5(18) . .
C35D C36D C41D 116.6(16) . .
C37D C36D C35D 121.3(16) . .
C37D C36D C41D 107.8(16) . .
C36D C37D C38D 119.8(17) . .
C39D C37D C36D 110.2(16) . .
C39D C37D C38D 118.6(17) . .
C4D C38D C26D 110.2(17) . .
C4D C38D C37D 120.8(17) . .
C37D C38D C26D 116.6(17) . .
C37D C39D C40D 110.0(16) . .
C48D C39D C37D 119.6(16) . .
C48D C39D C40D 117.9(16) . .
C39D C40D C41D 105.0(15) . .
C45D C40D C39D 121.1(18) . .
C45D C40D C41D 120.7(16) . .
C36D C41D C40D 107.0(15) . .
C42D C41D C36D 123(2) . .
C42D C41D C40D 120(2) . .
C33D C42D C43D 107.8(17) . .
C41D C42D C33D 121.0(19) . .
C41D C42D C43D 119(2) . .
C44D C43D C42D 122.0(16) . .
C44D C43D C58D 119.6(17) . .
C58D C43D C42D 105.9(16) . .
C43D C44D C45D 117.9(18) . .
C54D C44D C43D 120.6(18) . .
C54D C44D C45D 110.2(18) . .
C40D C45D C44D 119.7(18) . .
C40D C45D C46D 120.4(15) . .
C46D C45D C44D 108.8(18) . .
C45D C46D C47D 119.3(17) . .
C49D C46D C45D 106.6(17) . .
C49D C46D C47D 123.5(18) . .
C46D C47D C7D 115.8(16) . .
C48D C47D C7D 112.9(14) . .
C48D C47D C46D 118.8(16) . .
C39D C48D C5D 119.0(15) . .
C39D C48D C47D 122.4(16) . .
C47D C48D C5D 106.5(15) . .
C46D C49D C54D 108.0(18) . .
C50D C49D C46D 117.5(18) . .
C50D C49D C54D 121.3(19) . .
C8D C50D C51D 101.1(17) . .
C49D C50D C8D 126.4(19) . .
C49D C50D C51D 121.6(19) . .
C52D C51D C50D 116.9(19) . .
C52D C51D C60D 123.2(19) . .
C60D C51D C50D 106.7(17) . .
C51D C52D C53D 119.0(19) . .
C51D C52D C55D 123(2) . .
C55D C52D C53D 106.1(17) . .
C54D C53D C52D 123.0(18) . .
C54D C53D C57D 122.7(19) . .
C57D C53D C52D 102.3(16) . .
C44D C54D C49D 106.4(17) . .
C53D C54D C44D 124(2) . .
C53D C54D C49D 118.2(19) . .
C52D C55D C18D 115.4(17) . .
C56D C55D C18D 119.0(18) . .
C56D C55D C52D 112.6(19) . .
C55D C56D C57D 108.0(18) . .
C55D C56D C59D 122.0(19) . .
C59D C56D C57D 118.6(19) . .
C53D C57D C56D 111.0(17) . .
C53D C57D C58D 116.3(16) . .
C56D C57D C58D 119.1(17) . .
C32D C58D C43D 110.2(17) . .
C32D C58D C57D 122.6(17) . .
C57D C58D C43D 116.3(16) . .
C20D C59D C31D 101.8(15) . .
C56D C59D C20D 123.0(19) . .
C56D C59D C31D 122.0(17) . .
C9D C60D C17D 120.8(19) . .
C9D C60D C51D 110.6(19) . .
C51D C60D C17D 116.2(17) . .
C2E C1E Cl1E 113.2(9) . .
C2E C1E C6E 120.0 . .
C6E C1E Cl1E 126.8(9) . .
C1E C2E H2E 120.0 . .
C3E C2E C1E 120.0 . .
C3E C2E H2E 120.0 . .
C2E C3E H3E 120.0 . .
C2E C3E C4E 120.0 . .
C4E C3E H3E 120.0 . .
C3E C4E H4E 120.0 . .
C3E C4E C5E 120.0 . .
C5E C4E H4E 120.0 . .
C4E C5E H5E 120.0 . .
C6E C5E C4E 120.0 . .
C6E C5E H5E 120.0 . .
C1E C6E H6E 120.0 . .
C5E C6E C1E 120.0 . .
C5E C6E H6E 120.0 . .
C2F C1F Cl1F 111.8(12) . .
C2F C1F C6F 120.0 . .
C6F C1F Cl1F 128.1(12) . .
C1F C2F H2F 120.0 . .
C3F C2F C1F 120.0 . .
C3F C2F H2F 120.0 . .
C2F C3F H3F 120.0 . .
C2F C3F C4F 120.0 . .
C4F C3F H3F 120.0 . .
C3F C4F H4F 120.0 . .
C3F C4F C5F 120.0 . .
C5F C4F H4F 120.0 . .
C4F C5F H5F 120.0 . .
C6F C5F C4F 120.0 . .
C6F C5F H5F 120.0 . .
C1F C6F H6F 120.0 . .
C5F C6F C1F 120.0 . .
C5F C6F H6F 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Se1A P1A 2.078(3) .
P1A C1A 1.801(16) .
P1A C7A 1.764(15) .
P1A C13A 1.708(14) .
O1A C6A 1.41(2) .
O1A C8A 1.403(17) .
C1A C2A 1.411(19) .
C1A C6A 1.34(2) .
O2A C2A 1.374(17) .
O2A C14A 1.38(2) .
C2A C3A 1.366(19) .
O3A C12A 1.412(18) .
O3A C18A 1.365(18) .
C3A H3A 0.9500 .
C3A C4A 1.36(3) .
C4A H4A 0.9500 .
C4A C5A 1.40(3) .
C5A H5A 0.9500 .
C5A C6A 1.427(19) .
C7A C8A 1.45(2) .
C7A C12A 1.332(19) .
C8A C9A 1.32(2) .
C9A H9A 0.9500 .
C9A C10A 1.42(2) .
C10A H10A 0.9500 .
C10A C11A 1.31(2) .
C11A H11A 0.9500 .
C11A C12A 1.399(19) .
C13A C14A 1.35(2) .
C13A C18A 1.50(2) .
C14A C15A 1.45(2) .
C15A H15A 0.9500 .
C15A C16A 1.34(3) .
C16A H16A 0.9500 .
C16A C17A 1.39(2) .
C17A H17A 0.9500 .
C17A C18A 1.33(2) .
Se1B P1B 2.078(3) .
P1B C1B 1.737(10) .
P1B C7B 1.755(10) .
P1B C13B 1.759(11) .
O1B C2B 1.412(13) .
O1B C18B 1.401(13) .
C1B C2B 1.388(14) .
C1B C6B 1.393(14) .
O2B C6B 1.419(12) .
O2B C8B 1.384(12) .
C2B C3B 1.379(15) .
O3B C12B 1.401(12) .
O3B C14B 1.379(12) .
C3B H3B 0.9500 .
C3B C4B 1.374(15) .
C4B H4B 0.9500 .
C4B C5B 1.382(15) .
C5B H5B 0.9500 .
C5B C6B 1.387(15) .
C7B C8B 1.386(14) .
C7B C12B 1.380(14) .
C8B C9B 1.383(13) .
C9B H9B 0.9500 .
C9B C10B 1.398(15) .
C10B H10B 0.9500 .
C10B C11B 1.368(15) .
C11B H11B 0.9500 .
C11B C12B 1.383(14) .
C13B C14B 1.376(15) .
C13B C18B 1.400(15) .
C14B C15B 1.408(14) .
C15B H15B 0.9500 .
C15B C16B 1.373(16) .
C16B H16B 0.9500 .
C16B C17B 1.354(17) .
C17B H17B 0.9500 .
C17B C18B 1.392(16) .
C1C C2C 1.469(18) .
C1C C6C 1.396(17) .
C1C C57C 1.47(2) .
C2C C3C 1.358(19) .
C2C C48C 1.427(17) .
C3C C4C 1.474(19) .
C3C C38C 1.445(19) .
C4C C5C 1.35(2) .
C4C C59C 1.44(2) .
C5C C6C 1.40(2) .
C5C C9C 1.500(19) .
C6C C7C 1.49(2) .
C7C C8C 1.487(18) .
C7C C16C 1.34(2) .
C8C C9C 1.38(2) .
C8C C13C 1.379(18) .
C9C C10C 1.298(19) .
C10C C11C 1.55(2) .
C10C C58C 1.46(2) .
C11C C12C 1.395(19) .
C11C C33C 1.443(18) .
C12C C13C 1.434(16) .
C12C C23C 1.420(18) .
C13C C14C 1.50(2) .
C14C C15C 1.328(19) .
C14C C22C 1.49(2) .
C15C C16C 1.46(2) .
C15C C19C 1.48(2) .
C16C C17C 1.469(19) .
C17C C18C 1.41(2) .
C17C C57C 1.38(2) .
C18C C19C 1.48(2) .
C18C C51C 1.39(2) .
C19C C20C 1.42(2) .
C20C C21C 1.38(2) .
C20C C60C 1.46(2) .
C21C C22C 1.42(2) .
C21C C26C 1.44(2) .
C22C C23C 1.426(19) .
C23C C24C 1.370(17) .
C24C C25C 1.429(19) .
C24C C32C 1.52(2) .
C25C C26C 1.37(2) .
C25C C30C 1.475(19) .
C26C C27C 1.50(2) .
C27C C28C 1.34(2) .
C27C C60C 1.46(2) .
C28C C29C 1.45(2) .
C28C C55C 1.457(19) .
C29C C30C 1.366(18) .
C29C C43C 1.47(2) .
C30C C31C 1.47(2) .
C31C C32C 1.507(18) .
C31C C56C 1.37(2) .
C32C C33C 1.348(19) .
C33C C34C 1.442(19) .
C34C C35C 1.401(19) .
C34C C58C 1.39(2) .
C35C C36C 1.465(19) .
C35C C56C 1.43(2) .
C36C C37C 1.39(2) .
C36C C41C 1.432(19) .
C37C C38C 1.43(2) .
C37C C59C 1.501(19) .
C38C C39C 1.427(18) .
C39C C40C 1.402(18) .
C39C C47C 1.440(18) .
C40C C41C 1.327(18) .
C40C C45C 1.537(19) .
C41C C42C 1.49(2) .
C42C C43C 1.32(2) .
C42C C56C 1.468(19) .
C43C C44C 1.498(19) .
C44C C45C 1.390(18) .
C44C C55C 1.38(2) .
C45C C46C 1.428(16) .
C46C C47C 1.430(16) .
C46C C54C 1.405(18) .
C47C C48C 1.394(16) .
C48C C49C 1.480(19) .
C49C C50C 1.355(19) .
C49C C57C 1.494(18) .
C50C C51C 1.48(2) .
C50C C54C 1.435(18) .
C51C C52C 1.42(2) .
C52C C53C 1.47(2) .
C52C C60C 1.35(2) .
C53C C54C 1.500(19) .
C53C C55C 1.37(2) .
C58C C59C 1.34(2) .
C1D C2D 1.46(3) .
C1D C6D 1.38(2) .
C1D C10D 1.36(3) .
C2D C3D 1.43(2) .
C2D C12D 1.45(2) .
C3D C4D 1.48(2) .
C3D C25D 1.43(2) .
C4D C5D 1.30(2) .
C4D C38D 1.35(3) .
C5D C6D 1.55(3) .
C5D C48D 1.52(2) .
C6D C7D 1.40(2) .
C7D C8D 1.41(2) .
C7D C47D 1.46(2) .
C8D C9D 1.39(3) .
C8D C50D 1.45(3) .
C9D C10D 1.49(3) .
C9D C60D 1.35(3) .
C10D C11D 1.40(3) .
C11D C12D 1.54(3) .
C11D C16D 1.32(3) .
C12D C13D 1.33(3) .
C13D C14D 1.50(2) .
C13D C24D 1.33(3) .
C14D C15D 1.32(3) .
C14D C22D 1.41(3) .
C15D C16D 1.51(3) .
C15D C19D 1.54(3) .
C16D C17D 1.49(3) .
C17D C18D 1.34(2) .
C17D C60D 1.46(3) .
C18D C19D 1.46(3) .
C18D C55D 1.53(3) .
C19D C20D 1.34(2) .
C20D C21D 1.42(2) .
C20D C59D 1.51(2) .
C21D C22D 1.33(2) .
C21D C30D 1.49(3) .
C22D C23D 1.46(3) .
C23D C24D 1.54(3) .
C23D C28D 1.25(3) .
C24D C25D 1.30(2) .
C25D C26D 1.49(3) .
C26D C27D 1.28(3) .
C26D C38D 1.48(3) .
C27D C28D 1.67(3) .
C27D C35D 1.43(3) .
C28D C29D 1.46(3) .
C29D C30D 1.36(2) .
C29D C34D 1.42(3) .
C30D C31D 1.41(3) .
C31D C32D 1.38(3) .
C31D C59D 1.59(3) .
C32D C33D 1.49(3) .
C32D C58D 1.39(3) .
C33D C34D 1.47(3) .
C33D C42D 1.43(3) .
C34D C35D 1.36(3) .
C35D C36D 1.45(3) .
C36D C37D 1.42(2) .
C36D C41D 1.47(2) .
C37D C38D 1.47(2) .
C37D C39D 1.42(2) .
C39D C40D 1.46(2) .
C39D C48D 1.35(2) .
C40D C41D 1.52(3) .
C40D C45D 1.34(2) .
C41D C42D 1.27(2) .
C42D C43D 1.49(3) .
C43D C44D 1.37(2) .
C43D C58D 1.48(2) .
C44D C45D 1.45(2) .
C44D C54D 1.32(3) .
C45D C46D 1.40(3) .
C46D C47D 1.43(2) .
C46D C49D 1.40(3) .
C47D C48D 1.39(2) .
C49D C50D 1.30(3) .
C49D C54D 1.52(2) .
C50D C51D 1.56(3) .
C51D C52D 1.34(3) .
C51D C60D 1.40(3) .
C52D C53D 1.56(3) .
C52D C55D 1.41(3) .
C53D C54D 1.28(2) .
C53D C57D 1.43(2) .
C55D C56D 1.34(3) .
C56D C57D 1.45(2) .
C56D C59D 1.37(3) .
C57D C58D 1.46(3) .
Cl1E C1E 1.776(12) .
C1E C2E 1.3900 .
C1E C6E 1.3900 .
C2E H2E 0.9500 .
C2E C3E 1.3900 .
C3E H3E 0.9500 .
C3E C4E 1.3900 .
C4E H4E 0.9500 .
C4E C5E 1.3900 .
C5E H5E 0.9500 .
C5E C6E 1.3900 .
C6E H6E 0.9500 .
Cl1F C1F 1.776(12) .
C1F C2F 1.3900 .
C1F C6F 1.3900 .
C2F H2F 0.9500 .
C2F C3F 1.3900 .
C3F H3F 0.9500 .
C3F C4F 1.3900 .
C4F H4F 0.9500 .
C4F C5F 1.3900 .
C5F H5F 0.9500 .
C5F C6F 1.3900 .
C6F H6F 0.9500 .
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
Se1A P1A C1A C2A 90.0(10) . . . .
Se1A P1A C1A C6A -93.9(10) . . . .
Se1A P1A C7A C8A 92.8(10) . . . .
Se1A P1A C7A C12A -95.2(10) . . . .
Se1A P1A C13A C14A -91.2(11) . . . .
Se1A P1A C13A C18A 91.6(9) . . . .
P1A C1A C2A O2A 11.8(14) . . . .
P1A C1A C2A C3A 179.4(9) . . . .
P1A C1A C6A O1A -6.6(16) . . . .
P1A C1A C6A C5A 175.3(9) . . . .
P1A C7A C8A O1A 6.6(15) . . . .
P1A C7A C8A C9A 175.1(11) . . . .
P1A C7A C12A O3A -3.9(15) . . . .
P1A C7A C12A C11A -179.3(8) . . . .
P1A C13A C14A O2A -7.7(17) . . . .
P1A C13A C14A C15A 172.9(9) . . . .
P1A C13A C18A O3A 14.4(14) . . . .
P1A C13A C18A C17A -174.3(10) . . . .
O1A C8A C9A C10A 171.9(12) . . . .
C1A P1A C7A C8A -37.8(11) . . . .
C1A P1A C7A C12A 134.1(10) . . . .
C1A P1A C13A C14A 37.1(12) . . . .
C1A P1A C13A C18A -140.2(10) . . . .
C1A C2A C3A C4A 4.9(18) . . . .
O2A C2A C3A C4A 172.1(11) . . . .
O2A C14A C15A C16A -173.8(12) . . . .
C2A C1A C6A O1A 169.5(11) . . . .
C2A C1A C6A C5A -8.7(18) . . . .
C2A O2A C14A C13A -33.6(17) . . . .
C2A O2A C14A C15A 145.8(11) . . . .
C2A C3A C4A C5A -8(2) . . . .
C3A C4A C5A C6A 3(2) . . . .
C4A C5A C6A O1A -172.8(11) . . . .
C4A C5A C6A C1A 5.4(17) . . . .
C6A O1A C8A C7A 36.5(15) . . . .
C6A O1A C8A C9A -131.9(14) . . . .
C6A C1A C2A O2A -164.2(11) . . . .
C6A C1A C2A C3A 3.5(18) . . . .
C7A P1A C1A C2A -138.1(10) . . . .
C7A P1A C1A C6A 38.0(11) . . . .
C7A P1A C13A C14A 135.6(11) . . . .
C7A P1A C13A C18A -41.6(10) . . . .
C7A C8A C9A C10A 4(2) . . . .
C8A O1A C6A C1A -37.4(16) . . . .
C8A O1A C6A C5A 140.7(12) . . . .
C8A C7A C12A O3A 168.1(11) . . . .
C8A C7A C12A C11A -7.3(17) . . . .
C8A C9A C10A C11A -7(2) . . . .
C9A C10A C11A C12A 3(2) . . . .
C10A C11A C12A O3A -171.2(11) . . . .
C10A C11A C12A C7A 4.3(18) . . . .
C12A O3A C18A C13A 29.8(14) . . . .
C12A O3A C18A C17A -141.2(13) . . . .
C12A C7A C8A O1A -165.3(11) . . . .
C12A C7A C8A C9A 3.1(19) . . . .
C13A P1A C1A C2A -38.7(11) . . . .
C13A P1A C1A C6A 137.4(10) . . . .
C13A P1A C7A C8A -134.7(10) . . . .
C13A P1A C7A C12A 37.2(11) . . . .
C13A C14A C15A C16A 5.6(19) . . . .
C14A O2A C2A C1A 29.8(16) . . . .
C14A O2A C2A C3A -137.7(12) . . . .
C14A C13A C18A O3A -162.9(11) . . . .
C14A C13A C18A C17A 8.3(17) . . . .
C14A C15A C16A C17A 1(2) . . . .
C15A C16A C17A C18A -2(2) . . . .
C16A C17A C18A O3A 168.4(12) . . . .
C16A C17A C18A C13A -2.3(18) . . . .
C18A O3A C12A C7A -36.4(15) . . . .
C18A O3A C12A C11A 139.0(11) . . . .
C18A C13A C14A O2A 169.6(11) . . . .
C18A C13A C14A C15A -9.8(17) . . . .
Se1B P1B C1B C2B -92.6(8) . . . .
Se1B P1B C1B C6B 96.8(7) . . . .
Se1B P1B C7B C8B -95.0(8) . . . .
Se1B P1B C7B C12B 93.4(8) . . . .
Se1B P1B C13B C14B -93.2(7) . . . .
Se1B P1B C13B C18B 89.4(8) . . . .
P1B C1B C2B O1B -5.4(12) . . . .
P1B C1B C2B C3B 175.8(7) . . . .
P1B C1B C6B O2B 3.2(12) . . . .
P1B C1B C6B C5B -175.0(7) . . . .
P1B C7B C8B O2B -3.3(13) . . . .
P1B C7B C8B C9B 176.6(7) . . . .
P1B C7B C12B O3B 5.4(13) . . . .
P1B C7B C12B C11B -175.7(8) . . . .
P1B C13B C14B O3B -5.8(12) . . . .
P1B C13B C14B C15B 175.3(7) . . . .
P1B C13B C18B O1B 10.8(12) . . . .
P1B C13B C18B C17B -174.5(7) . . . .
O1B C2B C3B C4B -174.7(8) . . . .
C1B P1B C7B C8B 35.5(9) . . . .
C1B P1B C7B C12B -136.1(8) . . . .
C1B P1B C13B C14B 138.0(8) . . . .
C1B P1B C13B C18B -39.4(8) . . . .
C1B C2B C3B C4B 4.1(14) . . . .
O2B C8B C9B C10B -176.5(9) . . . .
C2B O1B C18B C13B 31.5(12) . . . .
C2B O1B C18B C17B -143.2(9) . . . .
C2B C1B C6B O2B -167.6(8) . . . .
C2B C1B C6B C5B 14.2(13) . . . .
C2B C3B C4B C5B 5.1(15) . . . .
O3B C14B C15B C16B -179.7(8) . . . .
C3B C4B C5B C6B -4.4(15) . . . .
C4B C5B C6B C1B -5.4(14) . . . .
C4B C5B C6B O2B 176.4(8) . . . .
C6B C1B C2B O1B 165.2(8) . . . .
C6B C1B C2B C3B -13.7(14) . . . .
C6B O2B C8B C7B -37.9(12) . . . .
C6B O2B C8B C9B 142.2(9) . . . .
C7B P1B C1B C2B 135.8(8) . . . .
C7B P1B C1B C6B -34.8(8) . . . .
C7B P1B C13B C14B 37.9(8) . . . .
C7B P1B C13B C18B -139.5(7) . . . .
C7B C8B C9B C10B 3.6(14) . . . .
C8B O2B C6B C1B 38.3(11) . . . .
C8B O2B C6B C5B -143.5(9) . . . .
C8B C7B C12B O3B -166.1(9) . . . .
C8B C7B C12B C11B 12.8(15) . . . .
C8B C9B C10B C11B 3.8(15) . . . .
C9B C10B C11B C12B -2.9(16) . . . .
C10B C11B C12B O3B 173.5(9) . . . .
C10B C11B C12B C7B -5.4(15) . . . .
C12B O3B C14B C13B -36.9(12) . . . .
C12B O3B C14B C15B 141.9(9) . . . .
C12B C7B C8B O2B 168.1(9) . . . .
C12B C7B C8B C9B -12.0(15) . . . .
C13B P1B C1B C2B 37.1(8) . . . .
C13B P1B C1B C6B -133.5(8) . . . .
C13B P1B C7B C8B 134.3(8) . . . .
C13B P1B C7B C12B -37.3(9) . . . .
C13B C14B C15B C16B -0.8(14) . . . .
C14B O3B C12B C7B 37.3(12) . . . .
C14B O3B C12B C11B -141.6(9) . . . .
C14B C13B C18B O1B -166.5(8) . . . .
C14B C13B C18B C17B 8.2(14) . . . .
C14B C15B C16B C17B 8.9(15) . . . .
C15B C16B C17B C18B -8.2(15) . . . .
C16B C17B C18B O1B 174.3(8) . . . .
C16B C17B C18B C13B -0.5(14) . . . .
C18B O1B C2B C1B -34.6(12) . . . .
C18B O1B C2B C3B 144.2(9) . . . .
C18B C13B C14B O3B 171.5(8) . . . .
C18B C13B C14B C15B -7.4(14) . . . .
C1C C2C C3C C4C -3.8(16) . . . .
C1C C2C C3C C38C -139.3(11) . . . .
C1C C2C C48C C47C 143.7(10) . . . .
C1C C2C C48C C49C 0.7(12) . . . .
C1C C6C C7C C8C -142.5(11) . . . .
C1C C6C C7C C16C -2.1(17) . . . .
C2C C1C C6C C5C -0.8(18) . . . .
C2C C1C C6C C7C 138.7(12) . . . .
C2C C1C C57C C17C -140.3(12) . . . .
C2C C1C C57C C49C 0.6(12) . . . .
C2C C3C C4C C5C 3.7(18) . . . .
C2C C3C C4C C59C -140.8(12) . . . .
C2C C3C C38C C37C 140.5(12) . . . .
C2C C3C C38C C39C 1.2(17) . . . .
C2C C48C C49C C50C 142.6(11) . . . .
C2C C48C C49C C57C -0.3(12) . . . .
C3C C2C C48C C47C 1.3(16) . . . .
C3C C2C C48C C49C -141.8(11) . . . .
C3C C4C C5C C6C -1.9(19) . . . .
C3C C4C C5C C9C -140.7(13) . . . .
C3C C4C C59C C37C 0.8(14) . . . .
C3C C4C C59C C58C 142.3(13) . . . .
C3C C38C C39C C40C 138.5(13) . . . .
C3C C38C C39C C47C -2.8(16) . . . .
C4C C3C C38C C37C -0.7(14) . . . .
C4C C3C C38C C39C -140.0(11) . . . .
C4C C5C C6C C1C 0.6(19) . . . .
C4C C5C C6C C7C -142.7(12) . . . .
C4C C5C C9C C8C 142.2(13) . . . .
C4C C5C C9C C10C 0.7(19) . . . .
C5C C4C C59C C37C -143.5(12) . . . .
C5C C4C C59C C58C -2(2) . . . .
C5C C6C C7C C8C 1.9(13) . . . .
C5C C6C C7C C16C 142.3(12) . . . .
C5C C9C C10C C11C 139.1(12) . . . .
C5C C9C C10C C58C 1(2) . . . .
C6C C1C C2C C3C 2.4(16) . . . .
C6C C1C C2C C48C -142.0(11) . . . .
C6C C1C C57C C17C 1.3(18) . . . .
C6C C1C C57C C49C 142.3(11) . . . .
C6C C5C C9C C8C -0.5(13) . . . .
C6C C5C C9C C10C -142.0(13) . . . .
C6C C7C C8C C9C -2.3(13) . . . .
C6C C7C C8C C13C 144.8(11) . . . .
C6C C7C C16C C15C -137.6(12) . . . .
C6C C7C C16C C17C 1.4(18) . . . .
C7C C8C C9C C5C 1.8(13) . . . .
C7C C8C C9C C10C 141.4(12) . . . .
C7C C8C C13C C12C -140.0(11) . . . .
C7C C8C C13C C14C -3.6(15) . . . .
C7C C16C C17C C18C -141.2(13) . . . .
C7C C16C C17C C57C 0.5(19) . . . .
C8C C7C C16C C15C -4.0(17) . . . .
C8C C7C C16C C17C 135.1(13) . . . .
C8C C9C C10C C11C 4.1(18) . . . .
C8C C9C C10C C58C -134.0(14) . . . .
C8C C13C C14C C15C 1.5(16) . . . .
C8C C13C C14C C22C -141.3(11) . . . .
C9C C5C C6C C1C 142.5(12) . . . .
C9C C5C C6C C7C -0.9(13) . . . .
C9C C8C C13C C12C 3.9(17) . . . .
C9C C8C C13C C14C 140.3(12) . . . .
C9C C10C C11C C12C -3.2(16) . . . .
C9C C10C C11C C33C -144.6(12) . . . .
C9C C10C C58C C34C 142.8(14) . . . .
C9C C10C C58C C59C -3(2) . . . .
C10C C11C C12C C13C 2.6(14) . . . .
C10C C11C C12C C23C -137.2(11) . . . .
C10C C11C C33C C32C 142.2(11) . . . .
C10C C11C C33C C34C -1.5(13) . . . .
C10C C58C C59C C4C 3.5(19) . . . .
C10C C58C C59C C37C 141.3(12) . . . .
C11C C10C C58C C34C -0.6(13) . . . .
C11C C10C C58C C59C -146.5(12) . . . .
C11C C12C C13C C8C -3.1(16) . . . .
C11C C12C C13C C14C -144.0(10) . . . .
C11C C12C C23C C22C 142.5(11) . . . .
C11C C12C C23C C24C 0.2(16) . . . .
C11C C33C C34C C35C 143.5(12) . . . .
C11C C33C C34C C58C 1.1(15) . . . .
C12C C11C C33C C32C 3.5(17) . . . .
C12C C11C C33C C34C -140.2(12) . . . .
C12C C13C C14C C15C 143.5(11) . . . .
C12C C13C C14C C22C 0.7(12) . . . .
C12C C23C C24C C25C 138.9(12) . . . .
C12C C23C C24C C32C 0.6(15) . . . .
C13C C8C C9C C5C -144.1(11) . . . .
C13C C8C C9C C10C -4.5(18) . . . .
C13C C12C C23C C22C -0.3(13) . . . .
C13C C12C C23C C24C -142.6(11) . . . .
C13C C14C C15C C16C -0.3(17) . . . .
C13C C14C C15C C19C -138.3(12) . . . .
C13C C14C C22C C21C 143.4(11) . . . .
C13C C14C C22C C23C -0.9(12) . . . .
C14C C15C C16C C7C 1.7(18) . . . .
C14C C15C C16C C17C -143.2(12) . . . .
C14C C15C C19C C18C 142.3(13) . . . .
C14C C15C C19C C20C 1.1(19) . . . .
C14C C22C C23C C12C 0.7(13) . . . .
C14C C22C C23C C24C 143.7(11) . . . .
C15C C14C C22C C21C 0.6(19) . . . .
C15C C14C C22C C23C -143.6(13) . . . .
C15C C16C C17C C18C 2.7(14) . . . .
C15C C16C C17C C57C 144.4(12) . . . .
C15C C19C C20C C21C -0.8(19) . . . .
C15C C19C C20C C60C 136.9(13) . . . .
C16C C7C C8C C9C -142.0(12) . . . .
C16C C7C C8C C13C 5.1(16) . . . .
C16C C15C C19C C18C -0.2(14) . . . .
C16C C15C C19C C20C -141.4(12) . . . .
C16C C17C C18C C19C -2.8(15) . . . .
C16C C17C C18C C51C 141.8(13) . . . .
C16C C17C C57C C1C -2.0(18) . . . .
C16C C17C C57C C49C -138.0(12) . . . .
C17C C18C C19C C15C 1.8(14) . . . .
C17C C18C C19C C20C 143.3(13) . . . .
C17C C18C C51C C50C -2(2) . . . .
C17C C18C C51C C52C -136.2(14) . . . .
C18C C17C C57C C1C 136.0(13) . . . .
C18C C17C C57C C49C -0.1(18) . . . .
C18C C19C C20C C21C -137.0(14) . . . .
C18C C19C C20C C60C 1(2) . . . .
C18C C51C C52C C53C 139.2(13) . . . .
C18C C51C C52C C60C -4(2) . . . .
C19C C15C C16C C7C 143.4(12) . . . .
C19C C15C C16C C17C -1.4(13) . . . .
C19C C18C C51C C50C 140.0(13) . . . .
C19C C18C C51C C52C 5(2) . . . .
C19C C20C C21C C22C 0.4(19) . . . .
C19C C20C C21C C26C 141.9(13) . . . .
C19C C20C C60C C27C -142.7(13) . . . .
C19C C20C C60C C52C 1(2) . . . .
C20C C21C C22C C14C -0.3(18) . . . .
C20C C21C C22C C23C 138.8(13) . . . .
C20C C21C C26C C25C -143.2(13) . . . .
C20C C21C C26C C27C 0.0(15) . . . .
C21C C20C C60C C27C -0.8(15) . . . .
C21C C20C C60C C52C 142.9(13) . . . .
C21C C22C C23C C12C -142.5(12) . . . .
C21C C22C C23C C24C 0.6(17) . . . .
C21C C26C C27C C28C -142.7(13) . . . .
C21C C26C C27C C60C -0.5(14) . . . .
C22C C14C C15C C16C 137.0(13) . . . .
C22C C14C C15C C19C -1.0(19) . . . .
C22C C21C C26C C25C -0.1(18) . . . .
C22C C21C C26C C27C 143.1(12) . . . .
C22C C23C C24C C25C -0.2(17) . . . .
C22C C23C C24C C32C -138.5(11) . . . .
C23C C12C C13C C8C 140.6(11) . . . .
C23C C12C C13C C14C -0.3(12) . . . .
C23C C24C C25C C26C -0.3(17) . . . .
C23C C24C C25C C30C -140.3(12) . . . .
C23C C24C C32C C31C 142.4(10) . . . .
C23C C24C C32C C33C 0.7(16) . . . .
C24C C25C C26C C21C 0.5(17) . . . .
C24C C25C C26C C27C -138.2(12) . . . .
C24C C25C C30C C29C 139.7(12) . . . .
C24C C25C C30C C31C -0.7(13) . . . .
C24C C32C C33C C11C -2.6(16) . . . .
C24C C32C C33C C34C 135.1(13) . . . .
C25C C24C C32C C31C -1.5(12) . . . .
C25C C24C C32C C33C -143.2(11) . . . .
C25C C26C C27C C28C 2(2) . . . .
C25C C26C C27C C60C 143.9(12) . . . .
C25C C30C C31C C32C -0.2(12) . . . .
C25C C30C C31C C56C 141.8(12) . . . .
C26C C21C C22C C14C -139.5(12) . . . .
C26C C21C C22C C23C -0.4(18) . . . .
C26C C25C C30C C29C -0.1(18) . . . .
C26C C25C C30C C31C -140.5(12) . . . .
C26C C27C C28C C29C 0(2) . . . .
C26C C27C C28C C55C 137.6(14) . . . .
C26C C27C C60C C20C 0.8(14) . . . .
C26C C27C C60C C52C -142.8(13) . . . .
C27C C28C C29C C30C -1.8(19) . . . .
C27C C28C C29C C43C 143.7(13) . . . .
C27C C28C C55C C44C -144.7(13) . . . .
C27C C28C C55C C53C -0.5(19) . . . .
C28C C27C C60C C20C 142.6(13) . . . .
C28C C27C C60C C52C -1(2) . . . .
C28C C29C C30C C25C 1.9(18) . . . .
C28C C29C C30C C31C 138.7(13) . . . .
C28C C29C C43C C42C -142.5(12) . . . .
C28C C29C C43C C44C -0.3(13) . . . .
C29C C28C C55C C44C -2.5(13) . . . .
C29C C28C C55C C53C 141.7(12) . . . .
C29C C30C C31C C32C -141.8(11) . . . .
C29C C30C C31C C56C 0.2(18) . . . .
C29C C43C C44C C45C -143.8(11) . . . .
C29C C43C C44C C55C -1.3(13) . . . .
C30C C25C C26C C21C 137.0(12) . . . .
C30C C25C C26C C27C -1.6(18) . . . .
C30C C29C C43C C42C 3.4(19) . . . .
C30C C29C C43C C44C 145.5(12) . . . .
C30C C31C C32C C24C 1.0(12) . . . .
C30C C31C C32C C33C 144.8(12) . . . .
C30C C31C C56C C35C -138.9(13) . . . .
C30C C31C C56C C42C 2.5(18) . . . .
C31C C32C C33C C11C -140.1(12) . . . .
C31C C32C C33C C34C -2.4(19) . . . .
C32C C24C C25C C26C 141.4(11) . . . .
C32C C24C C25C C30C 1.4(12) . . . .
C32C C31C C56C C35C -1.0(19) . . . .
C32C C31C C56C C42C 140.5(12) . . . .
C32C C33C C34C C35C 2.9(19) . . . .
C32C C33C C34C C58C -139.5(13) . . . .
C33C C11C C12C C13C 137.4(12) . . . .
C33C C11C C12C C23C -2.3(16) . . . .
C33C C34C C35C C36C -139.7(13) . . . .
C33C C34C C35C C56C -2.4(18) . . . .
C33C C34C C58C C10C -0.2(15) . . . .
C33C C34C C58C C59C 142.5(14) . . . .
C34C C35C C36C C37C -0.2(19) . . . .
C34C C35C C36C C41C 142.1(13) . . . .
C34C C35C C56C C31C 1.6(19) . . . .
C34C C35C C56C C42C -142.4(12) . . . .
C34C C58C C59C C4C -137.9(14) . . . .
C34C C58C C59C C37C 0(2) . . . .
C35C C34C C58C C10C -141.4(13) . . . .
C35C C34C C58C C59C 1(2) . . . .
C35C C36C C37C C38C 140.2(12) . . . .
C35C C36C C37C C59C 1.6(18) . . . .
C35C C36C C41C C40C -139.3(13) . . . .
C35C C36C C41C C42C 1.1(13) . . . .
C36C C35C C56C C31C 144.6(12) . . . .
C36C C35C C56C C42C 0.6(13) . . . .
C36C C37C C38C C3C -142.9(12) . . . .
C36C C37C C38C C39C -2.5(17) . . . .
C36C C37C C59C C4C 142.3(13) . . . .
C36C C37C C59C C58C -1.5(18) . . . .
C36C C41C C42C C43C -143.4(11) . . . .
C36C C41C C42C C56C -0.7(13) . . . .
C37C C36C C41C C40C 1.3(18) . . . .
C37C C36C C41C C42C 141.7(12) . . . .
C37C C38C C39C C40C 1.3(17) . . . .
C37C C38C C39C C47C -139.9(11) . . . .
C38C C3C C4C C5C 144.3(12) . . . .
C38C C3C C4C C59C -0.1(14) . . . .
C38C C37C C59C C4C -1.2(13) . . . .
C38C C37C C59C C58C -145.1(12) . . . .
C38C C39C C40C C41C 1.3(19) . . . .
C38C C39C C40C C45C -143.7(11) . . . .
C38C C39C C47C C46C 144.5(10) . . . .
C38C C39C C47C C48C 3.6(15) . . . .
C39C C40C C41C C36C -2.6(19) . . . .
C39C C40C C41C C42C -137.7(12) . . . .
C39C C40C C45C C44C 141.4(11) . . . .
C39C C40C C45C C46C -0.7(12) . . . .
C39C C47C C48C C2C -2.8(15) . . . .
C39C C47C C48C C49C 136.0(11) . . . .
C40C C39C C47C C46C -1.5(12) . . . .
C40C C39C C47C C48C -142.4(10) . . . .
C40C C41C C42C C43C -2.5(16) . . . .
C40C C41C C42C C56C 140.2(11) . . . .
C40C C45C C46C C47C -0.2(11) . . . .
C40C C45C C46C C54C 142.8(10) . . . .
C41C C36C C37C C38C 1.3(18) . . . .
C41C C36C C37C C59C -137.3(12) . . . .
C41C C40C C45C C44C -3.4(15) . . . .
C41C C40C C45C C46C -145.5(10) . . . .
C41C C42C C43C C29C 136.8(12) . . . .
C41C C42C C43C C44C 2.1(16) . . . .
C41C C42C C56C C31C -145.0(12) . . . .
C41C C42C C56C C35C 0.1(14) . . . .
C42C C43C C44C C45C -2.3(16) . . . .
C42C C43C C44C C55C 140.2(12) . . . .
C43C C29C C30C C25C -140.0(13) . . . .
C43C C29C C30C C31C -3.2(17) . . . .
C43C C42C C56C C31C -2.3(18) . . . .
C43C C42C C56C C35C 142.7(12) . . . .
C43C C44C C45C C40C 2.8(15) . . . .
C43C C44C C45C C46C 137.2(11) . . . .
C43C C44C C55C C28C 2.4(14) . . . .
C43C C44C C55C C53C -140.9(12) . . . .
C44C C45C C46C C47C -140.2(11) . . . .
C44C C45C C46C C54C 2.9(16) . . . .
C45C C40C C41C C36C 138.2(12) . . . .
C45C C40C C41C C42C 3.0(15) . . . .
C45C C44C C55C C28C 144.1(11) . . . .
C45C C44C C55C C53C 0.8(18) . . . .
C45C C46C C47C C39C 1.1(12) . . . .
C45C C46C C47C C48C 142.6(10) . . . .
C45C C46C C54C C50C -138.0(11) . . . .
C45C C46C C54C C53C -1.6(14) . . . .
C46C C47C C48C C2C -140.0(11) . . . .
C46C C47C C48C C49C -1.2(14) . . . .
C47C C39C C40C C41C 146.3(11) . . . .
C47C C39C C40C C45C 1.3(12) . . . .
C47C C46C C54C C50C 1.5(16) . . . .
C47C C46C C54C C53C 137.8(11) . . . .
C47C C48C C49C C50C 0.0(15) . . . .
C47C C48C C49C C57C -142.9(10) . . . .
C48C C2C C3C C4C 135.1(12) . . . .
C48C C2C C3C C38C -0.4(17) . . . .
C48C C49C C50C C51C -138.1(12) . . . .
C48C C49C C50C C54C 1.8(16) . . . .
C48C C49C C57C C1C -0.2(12) . . . .
C48C C49C C57C C17C 142.7(12) . . . .
C49C C50C C51C C18C 0.5(19) . . . .
C49C C50C C51C C52C 140.4(13) . . . .
C49C C50C C54C C46C -2.6(17) . . . .
C49C C50C C54C C53C -142.7(11) . . . .
C50C C49C C57C C1C -143.9(11) . . . .
C50C C49C C57C C17C -1.0(18) . . . .
C50C C51C C52C C53C 2.1(14) . . . .
C50C C51C C52C C60C -140.9(13) . . . .
C51C C18C C19C C15C -145.4(13) . . . .
C51C C18C C19C C20C -3.9(19) . . . .
C51C C50C C54C C46C 142.6(11) . . . .
C51C C50C C54C C53C 2.5(13) . . . .
C51C C52C C53C C54C -0.5(14) . . . .
C51C C52C C53C C55C -143.8(13) . . . .
C51C C52C C60C C20C 0(2) . . . .
C51C C52C C60C C27C 139.6(14) . . . .
C52C C53C C54C C46C -143.4(11) . . . .
C52C C53C C54C C50C -1.2(13) . . . .
C52C C53C C55C C28C -0.5(18) . . . .
C52C C53C C55C C44C 138.7(13) . . . .
C53C C52C C60C C20C -139.2(14) . . . .
C53C C52C C60C C27C 0.0(19) . . . .
C54C C46C C47C C39C -141.1(10) . . . .
C54C C46C C47C C48C 0.5(15) . . . .
C54C C50C C51C C18C -142.8(12) . . . .
C54C C50C C51C C52C -2.9(14) . . . .
C54C C53C C55C C28C -138.9(12) . . . .
C54C C53C C55C C44C 0.3(18) . . . .
C55C C28C C29C C30C -143.8(12) . . . .
C55C C28C C29C C43C 1.7(13) . . . .
C55C C44C C45C C40C -136.9(12) . . . .
C55C C44C C45C C46C -2.5(17) . . . .
C55C C53C C54C C46C 0.2(16) . . . .
C55C C53C C54C C50C 142.4(11) . . . .
C56C C31C C32C C24C -142.4(12) . . . .
C56C C31C C32C C33C 1.4(18) . . . .
C56C C35C C36C C37C -143.3(12) . . . .
C56C C35C C36C C41C -1.0(14) . . . .
C56C C42C C43C C29C -0.6(18) . . . .
C56C C42C C43C C44C -135.3(12) . . . .
C57C C1C C2C C3C 143.6(11) . . . .
C57C C1C C2C C48C -0.8(12) . . . .
C57C C1C C6C C5C -138.8(13) . . . .
C57C C1C C6C C7C 0.7(16) . . . .
C57C C17C C18C C19C -143.2(12) . . . .
C57C C17C C18C C51C 1(2) . . . .
C57C C49C C50C C51C 0.8(18) . . . .
C57C C49C C50C C54C 140.7(12) . . . .
C58C C10C C11C C12C 142.7(10) . . . .
C58C C10C C11C C33C 1.3(13) . . . .
C58C C34C C35C C36C -1(2) . . . .
C58C C34C C35C C56C 136.1(14) . . . .
C59C C4C C5C C6C 138.5(13) . . . .
C59C C4C C5C C9C -0.3(19) . . . .
C59C C37C C38C C3C 1.2(13) . . . .
C59C C37C C38C C39C 141.6(11) . . . .
C60C C20C C21C C22C -141.0(12) . . . .
C60C C20C C21C C26C 0.5(15) . . . .
C60C C27C C28C C29C -136.5(14) . . . .
C60C C27C C28C C55C 1(2) . . . .
C60C C52C C53C C54C 144.0(12) . . . .
C60C C52C C53C C55C 0.7(19) . . . .
C1D C2D C3D C4D -2(2) . . . .
C1D C2D C3D C25D 137.5(14) . . . .
C1D C2D C12D C11D 4.4(15) . . . .
C1D C2D C12D C13D -141.1(15) . . . .
C1D C6D C7D C8D -3(2) . . . .
C1D C6D C7D C47D 142.2(15) . . . .
C1D C10D C11D C12D 3.0(18) . . . .
C1D C10D C11D C16D 139(2) . . . .
C2D C1D C6D C5D -2(2) . . . .
C2D C1D C6D C7D -138.9(17) . . . .
C2D C1D C10D C9D 142.9(14) . . . .
C2D C1D C10D C11D -0.2(18) . . . .
C2D C3D C4D C5D -2(2) . . . .
C2D C3D C4D C38D 143.5(14) . . . .
C2D C3D C25D C24D -1.1(18) . . . .
C2D C3D C25D C26D -143.6(13) . . . .
C2D C12D C13D C14D 139.1(16) . . . .
C2D C12D C13D C24D -2(2) . . . .
C3D C2D C12D C11D 146.4(13) . . . .
C3D C2D C12D C13D 1(2) . . . .
C3D C4D C5D C6D 3(2) . . . .
C3D C4D C5D C48D 137.4(15) . . . .
C3D C4D C38D C26D -1.3(17) . . . .
C3D C4D C38D C37D -142.2(15) . . . .
C3D C25D C26D C27D 143.9(17) . . . .
C3D C25D C26D C38D 0.7(15) . . . .
C4D C3D C25D C24D 140.9(14) . . . .
C4D C3D C25D C26D -1.5(15) . . . .
C4D C5D C6D C1D -1(2) . . . .
C4D C5D C6D C7D 140.2(15) . . . .
C4D C5D C48D C39D 2(2) . . . .
C4D C5D C48D C47D -141.8(15) . . . .
C5D C4D C38D C26D 143.7(16) . . . .
C5D C4D C38D C37D 3(2) . . . .
C5D C6D C7D C8D -143.4(15) . . . .
C5D C6D C7D C47D 1.3(15) . . . .
C6D C1D C2D C3D 4(2) . . . .
C6D C1D C2D C12D 143.3(15) . . . .
C6D C1D C10D C9D -1(2) . . . .
C6D C1D C10D C11D -144.1(17) . . . .
C6D C5D C48D C39D 142.6(13) . . . .
C6D C5D C48D C47D -1.0(13) . . . .
C6D C7D C8D C9D 3(2) . . . .
C6D C7D C8D C50D 140.2(16) . . . .
C6D C7D C47D C46D -143.9(13) . . . .
C6D C7D C47D C48D -2.1(16) . . . .
C7D C8D C9D C10D -3(2) . . . .
C7D C8D C9D C60D 143.0(16) . . . .
C7D C8D C50D C49D -1(2) . . . .
C7D C8D C50D C51D -144.9(14) . . . .
C7D C47D C48D C5D 1.9(15) . . . .
C7D C47D C48D C39D -140.1(13) . . . .
C8D C7D C47D C46D 0.5(19) . . . .
C8D C7D C47D C48D 142.2(14) . . . .
C8D C9D C10D C1D 2(2) . . . .
C8D C9D C10D C11D 142.2(18) . . . .
C8D C9D C60D C17D -142.5(16) . . . .
C8D C9D C60D C51D -2(2) . . . .
C8D C50D C51D C52D 145.5(15) . . . .
C8D C50D C51D C60D 3.1(16) . . . .
C9D C8D C50D C49D 139.7(19) . . . .
C9D C8D C50D C51D -4.3(17) . . . .
C9D C10D C11D C12D -139.0(15) . . . .
C9D C10D C11D C16D -3(3) . . . .
C10D C1D C2D C3D -142.4(15) . . . .
C10D C1D C2D C12D -2.9(17) . . . .
C10D C1D C6D C5D 137.9(17) . . . .
C10D C1D C6D C7D 2(2) . . . .
C10D C9D C60D C17D 3(2) . . . .
C10D C9D C60D C51D 144.2(16) . . . .
C10D C11D C12D C2D -4.4(16) . . . .
C10D C11D C12D C13D 139.8(16) . . . .
C10D C11D C16D C15D -134.2(19) . . . .
C10D C11D C16D C17D 4(3) . . . .
C11D C12D C13D C14D 1(2) . . . .
C11D C12D C13D C24D -140.1(16) . . . .
C11D C16D C17D C18D -145.2(18) . . . .
C11D C16D C17D C60D 0(2) . . . .
C12D C2D C3D C4D -138.7(13) . . . .
C12D C2D C3D C25D 0.5(17) . . . .
C12D C11D C16D C15D -2(2) . . . .
C12D C11D C16D C17D 135.8(17) . . . .
C12D C13D C14D C15D 0(2) . . . .
C12D C13D C14D C22D -140.7(16) . . . .
C12D C13D C24D C23D 144.9(13) . . . .
C12D C13D C24D C25D 1(2) . . . .
C13D C14D C15D C16D -2(2) . . . .
C13D C14D C15D C19D -140.1(15) . . . .
C13D C14D C22D C21D 139.9(15) . . . .
C13D C14D C22D C23D -5.9(16) . . . .
C13D C24D C25D C3D 0(2) . . . .
C13D C24D C25D C26D 135.5(18) . . . .
C14D C13D C24D C23D 0.0(16) . . . .
C14D C13D C24D C25D -143.8(15) . . . .
C14D C15D C16D C11D 3(2) . . . .
C14D C15D C16D C17D -139.3(18) . . . .
C14D C15D C19D C18D 145.0(15) . . . .
C14D C15D C19D C20D 0(2) . . . .
C14D C22D C23D C24D 5.8(16) . . . .
C14D C22D C23D C28D 147.0(16) . . . .
C15D C14D C22D C21D 3(2) . . . .
C15D C14D C22D C23D -143.1(15) . . . .
C15D C16D C17D C18D -3.8(18) . . . .
C15D C16D C17D C60D 141.0(15) . . . .
C15D C19D C20D C21D 3(2) . . . .
C15D C19D C20D C59D 138.8(14) . . . .
C16D C11D C12D C2D -143.9(15) . . . .
C16D C11D C12D C13D 0(2) . . . .
C16D C15D C19D C18D -2.6(16) . . . .
C16D C15D C19D C20D -147.1(14) . . . .
C16D C17D C18D C19D 2.1(18) . . . .
C16D C17D C18D C55D 144.4(15) . . . .
C16D C17D C60D C9D -3(2) . . . .
C16D C17D C60D C51D -141.8(16) . . . .
C17D C18D C19D C15D 0.4(18) . . . .
C17D C18D C19D C20D 141.7(17) . . . .
C17D C18D C55D C52D -1(2) . . . .
C17D C18D C55D C56D -139.4(17) . . . .
C18D C17D C60D C9D 136.3(19) . . . .
C18D C17D C60D C51D -2(2) . . . .
C18D C19D C20D C21D -134.0(17) . . . .
C18D C19D C20D C59D 1(2) . . . .
C18D C55D C56D C57D 141.2(14) . . . .
C18D C55D C56D C59D -2(2) . . . .
C19D C15D C16D C11D 145.9(15) . . . .
C19D C15D C16D C17D 3.8(16) . . . .
C19D C18D C55D C52D 140.3(16) . . . .
C19D C18D C55D C56D 2(2) . . . .
C19D C20D C21D C22D -4(2) . . . .
C19D C20D C21D C30D 139.1(15) . . . .
C19D C20D C59D C31D -142.4(14) . . . .
C19D C20D C59D C56D -1(2) . . . .
C20D C21D C22D C14D 1(2) . . . .
C20D C21D C22D C23D 140.0(16) . . . .
C20D C21D C30D C29D -143.2(14) . . . .
C20D C21D C30D C31D -0.3(16) . . . .
C21D C20D C59D C31D -1.5(14) . . . .
C21D C20D C59D C56D 139.9(16) . . . .
C21D C22D C23D C24D -139.2(15) . . . .
C21D C22D C23D C28D 2(2) . . . .
C21D C30D C31D C32D -142.8(16) . . . .
C21D C30D C31D C59D -0.7(16) . . . .
C22D C14D C15D C16D 134.9(18) . . . .
C22D C14D C15D C19D -4(2) . . . .
C22D C21D C30D C29D 1(2) . . . .
C22D C21D C30D C31D 144.2(14) . . . .
C22D C23D C24D C13D -3.7(16) . . . .
C22D C23D C24D C25D 142.6(15) . . . .
C22D C23D C28D C27D -138.0(16) . . . .
C22D C23D C28D C29D -1(3) . . . .
C23D C24D C25D C3D -139.3(15) . . . .
C23D C24D C25D C26D -4(2) . . . .
C23D C28D C29D C30D 0(2) . . . .
C23D C28D C29D C34D -140.3(18) . . . .
C24D C13D C14D C15D 144.6(15) . . . .
C24D C13D C14D C22D 3.9(18) . . . .
C24D C23D C28D C27D -1(2) . . . .
C24D C23D C28D C29D 135.9(18) . . . .
C24D C25D C26D C27D 3(2) . . . .
C24D C25D C26D C38D -140.4(16) . . . .
C25D C3D C4D C5D -143.4(15) . . . .
C25D C3D C4D C38D 1.9(17) . . . .
C25D C26D C27D C28D 0(2) . . . .
C25D C26D C27D C35D -134.6(19) . . . .
C25D C26D C38D C4D 0.4(18) . . . .
C25D C26D C38D C37D 143.1(14) . . . .
C26D C27D C28D C23D 0(2) . . . .
C26D C27D C28D C29D -146.0(15) . . . .
C26D C27D C35D C34D 138(2) . . . .
C26D C27D C35D C36D -6(2) . . . .
C27D C26D C38D C4D -143.7(17) . . . .
C27D C26D C38D C37D -1(2) . . . .
C27D C28D C29D C30D 143.2(14) . . . .
C27D C28D C29D C34D 2.7(17) . . . .
C27D C35D C36D C37D 5(2) . . . .
C27D C35D C36D C41D 139.4(15) . . . .
C28D C23D C24D C13D -143.0(17) . . . .
C28D C23D C24D C25D 3(2) . . . .
C28D C27D C35D C34D 0.0(17) . . . .
C28D C27D C35D C36D -144.5(13) . . . .
C28D C29D C30D C21D 0(2) . . . .
C28D C29D C30D C31D -135.9(18) . . . .
C28D C29D C34D C33D 141.0(15) . . . .
C28D C29D C34D C35D -3(2) . . . .
C29D C30D C31D C32D -2(3) . . . .
C29D C30D C31D C59D 140.2(16) . . . .
C29D C34D C35D C27D 2(2) . . . .
C29D C34D C35D C36D 143.5(15) . . . .
C30D C21D C22D C14D -140.8(16) . . . .
C30D C21D C22D C23D -2(2) . . . .
C30D C29D C34D C33D 1(2) . . . .
C30D C29D C34D C35D -142.5(16) . . . .
C30D C31D C32D C33D 0(2) . . . .
C30D C31D C32D C58D 138.1(18) . . . .
C30D C31D C59D C20D 1.4(16) . . . .
C30D C31D C59D C56D -140.5(16) . . . .
C31D C32D C33D C34D 2(2) . . . .
C31D C32D C33D C42D 142.5(16) . . . .
C31D C32D C58D C43D -141.0(15) . . . .
C31D C32D C58D C57D 2(2) . . . .
C32D C31D C59D C20D 145.9(13) . . . .
C32D C31D C59D C56D 4(2) . . . .
C32D C33D C34D C29D -3(2) . . . .
C32D C33D C34D C35D 139.0(17) . . . .
C32D C33D C42D C41D -141.8(18) . . . .
C32D C33D C42D C43D 0.7(17) . . . .
C33D C32D C58D C43D 0.3(17) . . . .
C33D C32D C58D C57D 143.0(14) . . . .
C33D C34D C35D C27D -142.8(15) . . . .
C33D C34D C35D C36D -1(2) . . . .
C33D C42D C43D C44D -142.1(15) . . . .
C33D C42D C43D C58D -0.5(15) . . . .
C34D C29D C30D C21D 136.5(16) . . . .
C34D C29D C30D C31D 1(2) . . . .
C34D C33D C42D C41D -2(3) . . . .
C34D C33D C42D C43D 140.8(15) . . . .
C34D C35D C36D C37D -136.4(18) . . . .
C34D C35D C36D C41D -2(2) . . . .
C35D C27D C28D C23D 144.3(16) . . . .
C35D C27D C28D C29D -1.6(15) . . . .
C35D C36D C37D C38D -2(2) . . . .
C35D C36D C37D C39D 140.9(15) . . . .
C35D C36D C41D C40D -142.7(13) . . . .
C35D C36D C41D C42D 3(2) . . . .
C36D C37D C38D C4D 138.6(17) . . . .
C36D C37D C38D C26D 0(2) . . . .
C36D C37D C39D C40D -2.0(17) . . . .
C36D C37D C39D C48D -143.2(14) . . . .
C36D C41D C42D C33D -1(3) . . . .
C36D C41D C42D C43D -139.5(17) . . . .
C37D C36D C41D C40D -2.2(16) . . . .
C37D C36D C41D C42D 143.4(18) . . . .
C37D C39D C40D C41D 0.6(16) . . . .
C37D C39D C40D C45D -140.6(14) . . . .
C37D C39D C48D C5D 0(2) . . . .
C37D C39D C48D C47D 137.2(15) . . . .
C38D C4D C5D C6D -137.3(16) . . . .
C38D C4D C5D C48D -3(2) . . . .
C38D C26D C27D C28D 138.4(16) . . . .
C38D C26D C27D C35D 4(3) . . . .
C38D C37D C39D C40D 141.4(14) . . . .
C38D C37D C39D C48D 0(2) . . . .
C39D C37D C38D C4D -1(2) . . . .
C39D C37D C38D C26D -139.9(16) . . . .
C39D C40D C41D C36D 1.0(15) . . . .
C39D C40D C41D C42D -145.7(16) . . . .
C39D C40D C45D C44D 139.1(14) . . . .
C39D C40D C45D C46D -1(2) . . . .
C40D C39D C48D C5D -138.6(13) . . . .
C40D C39D C48D C47D -1.0(18) . . . .
C40D C41D C42D C33D 140.0(17) . . . .
C40D C41D C42D C43D 2(2) . . . .
C40D C45D C46D C47D 0(2) . . . .
C40D C45D C46D C49D 146.0(14) . . . .
C41D C36D C37D C38D -140.3(15) . . . .
C41D C36D C37D C39D 2.6(17) . . . .
C41D C40D C45D C44D 4(2) . . . .
C41D C40D C45D C46D -136.1(16) . . . .
C41D C42D C43D C44D 1(2) . . . .
C41D C42D C43D C58D 142.7(16) . . . .
C42D C33D C34D C29D -138.9(17) . . . .
C42D C33D C34D C35D 3(2) . . . .
C42D C43D C44D C45D -2(2) . . . .
C42D C43D C44D C54D 138.4(16) . . . .
C42D C43D C58D C32D 0.1(16) . . . .
C42D C43D C58D C57D -145.1(12) . . . .
C43D C44D C45D C40D -1(2) . . . .
C43D C44D C45D C46D 143.1(14) . . . .
C43D C44D C54D C49D -143.7(14) . . . .
C43D C44D C54D C53D -1(2) . . . .
C44D C43D C58D C32D 142.8(15) . . . .
C44D C43D C58D C57D -2.4(17) . . . .
C44D C45D C46D C47D -143.6(13) . . . .
C44D C45D C46D C49D 2.3(16) . . . .
C45D C40D C41D C36D 142.4(14) . . . .
C45D C40D C41D C42D -4(2) . . . .
C45D C44D C54D C49D -0.9(17) . . . .
C45D C44D C54D C53D 142.0(15) . . . .
C45D C46D C47D C7D 139.5(14) . . . .
C45D C46D C47D C48D 0.1(19) . . . .
C45D C46D C49D C50D -144.4(15) . . . .
C45D C46D C49D C54D -2.8(16) . . . .
C46D C47D C48D C5D 142.4(12) . . . .
C46D C47D C48D C39D 0.4(18) . . . .
C46D C49D C50D C8D 1(3) . . . .
C46D C49D C50D C51D 138.3(16) . . . .
C46D C49D C54D C44D 2.3(17) . . . .
C46D C49D C54D C53D -143.3(15) . . . .
C47D C7D C8D C9D -137.0(16) . . . .
C47D C7D C8D C50D 0(2) . . . .
C47D C46D C49D C50D 0(2) . . . .
C47D C46D C49D C54D 141.3(14) . . . .
C48D C5D C6D C1D -141.3(13) . . . .
C48D C5D C6D C7D -0.2(14) . . . .
C48D C39D C40D C41D 142.5(13) . . . .
C48D C39D C40D C45D 1.3(19) . . . .
C49D C46D C47D C7D 0(2) . . . .
C49D C46D C47D C48D -139.8(16) . . . .
C49D C50D C51D C52D -1(2) . . . .
C49D C50D C51D C60D -143.2(16) . . . .
C50D C8D C9D C10D -141.5(16) . . . .
C50D C8D C9D C60D 4(2) . . . .
C50D C49D C54D C44D 142.2(17) . . . .
C50D C49D C54D C53D -3(2) . . . .
C50D C51D C52D C53D 1(2) . . . .
C50D C51D C52D C55D -137.5(17) . . . .
C50D C51D C60D C9D -0.9(18) . . . .
C50D C51D C60D C17D 141.7(14) . . . .
C51D C52D C53D C54D -2(2) . . . .
C51D C52D C53D C57D -145.4(15) . . . .
C51D C52D C55D C18D 1(2) . . . .
C51D C52D C55D C56D 142.1(18) . . . .
C52D C51D C60D C9D -140.3(18) . . . .
C52D C51D C60D C17D 2(2) . . . .
C52D C53D C54D C44D -135.6(18) . . . .
C52D C53D C54D C49D 3(2) . . . .
C52D C53D C57D C56D 1.8(15) . . . .
C52D C53D C57D C58D 142.3(12) . . . .
C52D C55D C56D C57D 1.6(19) . . . .
C52D C55D C56D C59D -141.1(17) . . . .
C53D C52D C55D C18D -141.6(14) . . . .
C53D C52D C55D C56D -0.5(18) . . . .
C53D C57D C58D C32D -138.7(15) . . . .
C53D C57D C58D C43D 2.0(17) . . . .
C54D C44D C45D C40D -144.9(15) . . . .
C54D C44D C45D C46D -0.8(17) . . . .
C54D C49D C50D C8D -135.3(18) . . . .
C54D C49D C50D C51D 2(2) . . . .
C54D C53D C57D C56D -141.5(15) . . . .
C54D C53D C57D C58D -1.0(19) . . . .
C55D C18D C19D C15D -143.0(14) . . . .
C55D C18D C19D C20D -2(2) . . . .
C55D C52D C53D C54D 142.3(16) . . . .
C55D C52D C53D C57D -0.9(15) . . . .
C55D C56D C57D C53D -2.2(18) . . . .
C55D C56D C57D C58D -141.5(15) . . . .
C55D C56D C59D C20D 1(3) . . . .
C55D C56D C59D C31D 135.0(18) . . . .
C56D C57D C58D C32D -1(2) . . . .
C56D C57D C58D C43D 139.1(14) . . . .
C57D C53D C54D C44D 0(2) . . . .
C57D C53D C54D C49D 139.3(15) . . . .
C57D C56D C59D C20D -137.8(17) . . . .
C57D C56D C59D C31D -4(2) . . . .
C58D C32D C33D C34D -141.3(15) . . . .
C58D C32D C33D C42D -0.6(18) . . . .
C58D C43D C44D C45D -138.2(14) . . . .
C58D C43D C44D C54D 2(2) . . . .
C59D C20D C21D C22D -142.4(13) . . . .
C59D C20D C21D C30D 1.2(16) . . . .
C59D C31D C32D C33D -140.4(15) . . . .
C59D C31D C32D C58D -3(2) . . . .
C59D C56D C57D C53D 141.9(15) . . . .
C59D C56D C57D C58D 3(2) . . . .
C60D C9D C10D C1D -141.1(17) . . . .
C60D C9D C10D C11D 0(2) . . . .
C60D C17D C18D C19D -140.6(16) . . . .
C60D C17D C18D C55D 2(2) . . . .
C60D C51D C52D C53D 136.3(17) . . . .
C60D C51D C52D C55D -2(3) . . . .
Cl1E C1E C2E C3E -177.2(12) . . . .
Cl1E C1E C6E C5E 176.8(14) . . . .
C1E C2E C3E C4E 0.0 . . . .
C2E C1E C6E C5E 0.0 . . . .
C2E C3E C4E C5E 0.0 . . . .
C3E C4E C5E C6E 0.0 . . . .
C4E C5E C6E C1E 0.0 . . . .
C6E C1E C2E C3E 0.0 . . . .
Cl1F C1F C2F C3F 177.4(17) . . . .
Cl1F C1F C6F C5F -177(2) . . . .
C1F C2F C3F C4F 0.0 . . . .
C2F C1F C6F C5F 0.0 . . . .
C2F C3F C4F C5F 0.0 . . . .
C3F C4F C5F C6F 0.0 . . . .
C4F C5F C6F C1F 0.0 . . . .
C6F C1F C2F C3F 0.0 . . . .

_cod_database_fobs_code 4517246
