#------------------------------------------------------------------------------
#$Date: 2019-12-23 19:33:15 +0200 (Mon, 23 Dec 2019) $
#$Revision: 245513 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/72/4517254.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_4517254
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_absolute_configuration ad
_chemical_formula_moiety         'C18 H9 O3 P S, C S2, C70'
_chemical_formula_sum            'C89 H9 O3 P S3'
_chemical_formula_weight         1253.11
_chemical_name_systematic
;
12cH-4,8,12-trioxa-12Λ5-phosphadibenzo[cd,mn]pyrene-12c-thione 
C70 fullerene carbon disulfide
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2016-11-17
_audit_creation_method
;
Olex2 1.2
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_cell_angle_alpha                90
_cell_angle_beta                 90.153(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2521(15)
_cell_length_b                   14.4547(15)
_cell_length_c                   25.261(3)
_cell_measurement_reflns_used    7190
_cell_measurement_temperature    100
_cell_measurement_theta_max      55.026
_cell_measurement_theta_min      3.281
_cell_volume                     4838.9(9)
_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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_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 0.999
_diffrn_measured_fraction_theta_max 0.985
_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_R_equivalents  0.1765
_diffrn_reflns_av_unetI/netI     0.0528
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_number            9747
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.859
_diffrn_reflns_theta_min         2.659
_diffrn_source                   'Metal Jet'
_diffrn_source_target            Ga
_diffrn_source_type              'Gallium Liquid Metal Jet Source'
_exptl_absorpt_coefficient_mu    1.486
_exptl_absorpt_correction_T_max  0.750824
_exptl_absorpt_correction_T_min  0.255513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1556 before and 0.1035 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 0.1831 before and 0.1164 after correction.
 The Ratio of minimum to maximum transmission is 0.34.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 169457 reflections, Rint = 0.1765
 (89615 with I > 3sig(I), Rint = 0.1444)
;
_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    1.720
_exptl_crystal_description       Block
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.272
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.138
_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because
 only 0 suitable Friedel pairs available.
;
_refine_ls_abs_structure_Flack   0.32(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1730
_refine_ls_number_reflns         9738
_refine_ls_number_restraints     1621
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1001
_refine_ls_R_factor_gt           0.0926
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1559P)²+10.6729P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2402
_refine_ls_wR_factor_ref         0.2470
_reflns_Friedel_coverage         0.911
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.977
_reflns_number_gt                8708
_reflns_number_total             9738
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jw18803_phangs_c70_cs2.cif
_cod_data_source_block           jw18803
_cod_database_code               4517254
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'
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
S1B S 0.3680(3) 0.5822(3) 1.04911(15) 0.0506(9) Uani 1 1 d . U . . .
O1B O 0.6605(9) 0.4815(7) 1.0552(4) 0.050(2) Uani 1 1 d . U . . .
P1B P 0.4931(3) 0.5980(2) 1.01055(14) 0.0423(7) Uani 1 1 d . U . . .
C1B C 0.5494(12) 0.5015(11) 0.9783(7) 0.050(3) Uani 1 1 d . U . . .
C2B C 0.6261(13) 0.4509(11) 1.0079(6) 0.052(3) Uani 1 1 d . U . . .
O2B O 0.4674(8) 0.5422(7) 0.8965(4) 0.049(2) Uani 1 1 d . U . . .
O3B O 0.5734(9) 0.7948(6) 1.0095(4) 0.048(2) Uani 1 1 d . U . . .
C3B C 0.6625(13) 0.3712(11) 0.9851(6) 0.050(3) Uani 1 1 d . U . . .
H3B H 0.709496 0.333504 1.003663 0.060 Uiso 1 1 calc R . . . .
C4B C 0.6293(12) 0.3459(11) 0.9339(6) 0.050(3) Uani 1 1 d . U . . .
H4B H 0.648837 0.287698 0.919796 0.059 Uiso 1 1 calc R . . . .
C5B C 0.5684(11) 0.4045(10) 0.9037(7) 0.048(3) Uani 1 1 d . U . . .
H5B H 0.555306 0.391963 0.867373 0.058 Uiso 1 1 calc R . . . .
C6B C 0.5275(12) 0.4817(10) 0.9284(6) 0.047(3) Uani 1 1 d . U . . .
C7B C 0.4982(10) 0.6772(9) 0.9558(5) 0.039(3) Uani 1 1 d . U . . .
C8B C 0.4838(10) 0.6363(9) 0.9051(5) 0.038(3) Uani 1 1 d . U . . .
C9B C 0.4789(12) 0.6970(12) 0.8626(6) 0.051(3) Uani 1 1 d . U . . .
H9B H 0.459769 0.675316 0.828510 0.061 Uiso 1 1 calc R . . . .
C10B C 0.5016(12) 0.7880(10) 0.8703(6) 0.049(3) Uani 1 1 d . U . . .
H10B H 0.498256 0.829221 0.841020 0.059 Uiso 1 1 calc R . . . .
C11B C 0.5293(12) 0.8217(11) 0.9189(6) 0.046(3) Uani 1 1 d . U . . .
H11B H 0.546247 0.885283 0.922581 0.055 Uiso 1 1 calc R . . . .
C12B C 0.5327(11) 0.7657(10) 0.9614(5) 0.043(3) Uani 1 1 d . U . . .
C13B C 0.6080(11) 0.6387(10) 1.0426(5) 0.042(3) Uani 1 1 d . U . . .
C14B C 0.6721(12) 0.5772(10) 1.0652(6) 0.045(3) Uani 1 1 d . U . . .
C15B C 0.7559(12) 0.6051(12) 1.0924(6) 0.050(3) Uani 1 1 d . U . . .
H15B H 0.801820 0.561797 1.107254 0.060 Uiso 1 1 calc R . . . .
C16B C 0.7711(14) 0.7025(13) 1.0974(6) 0.056(4) Uani 1 1 d . U . . .
H16B H 0.824061 0.725616 1.119151 0.068 Uiso 1 1 calc R . . . .
C17B C 0.7060(13) 0.7656(13) 1.0695(7) 0.056(4) Uani 1 1 d . U . . .
H17B H 0.719116 0.830155 1.070506 0.067 Uiso 1 1 calc R . . . .
C18B C 0.6245(13) 0.7324(10) 1.0413(6) 0.048(3) Uani 1 1 d . U . . .
C1E C 0.4237(14) 0.6064(13) 0.6673(7) 0.061(4) Uani 1 1 d . U . . .
S1E S 0.4950(4) 0.6100(3) 0.71519(17) 0.0620(10) Uani 1 1 d . U . . .
S2E S 0.3519(4) 0.5987(4) 0.61812(17) 0.0651(11) Uani 1 1 d . U . . .
P1A P 0.9971(3) 0.6224(2) 0.51141(14) 0.0418(7) Uani 1 1 d . U . . .
O1A O 1.0282(8) 0.6460(7) 0.3949(4) 0.051(2) Uani 1 1 d . U . . .
S1A S 1.1232(3) 0.6273(2) 0.55099(14) 0.0467(8) Uani 1 1 d . U . . .
C1A C 0.9787(13) 0.5389(10) 0.4619(6) 0.047(3) Uani 1 1 d . U . . .
O2A O 0.8950(9) 0.4410(6) 0.5266(4) 0.050(2) Uani 1 1 d . U . . .
C2A C 1.0008(11) 0.5579(10) 0.4107(6) 0.043(3) Uani 1 1 d . U . . .
C3A C 0.9912(12) 0.4864(10) 0.3720(7) 0.049(3) Uani 1 1 d . U . . .
H3A H 1.009414 0.497598 0.336200 0.059 Uiso 1 1 calc R . . . .
O3A O 0.8527(8) 0.7702(7) 0.5458(4) 0.050(2) Uani 1 1 d . U . . .
C4A C 0.9561(12) 0.4036(12) 0.3867(7) 0.053(3) Uani 1 1 d . U . . .
H4A H 0.955107 0.355408 0.361189 0.063 Uiso 1 1 calc R . . . .
C5A C 0.9208(13) 0.3839(10) 0.4378(6) 0.050(3) Uani 1 1 d . U . . .
H5A H 0.890773 0.325936 0.445885 0.060 Uiso 1 1 calc R . . . .
C6A C 0.9316(12) 0.4544(11) 0.4775(6) 0.047(3) Uani 1 1 d . U . . .
C7A C 0.8835(12) 0.6061(9) 0.5454(6) 0.045(3) Uani 1 1 d . U . . .
C8A C 0.8475(12) 0.5181(9) 0.5523(6) 0.043(3) Uani 1 1 d . U . . .
C9A C 0.7058(12) 0.5767(12) 0.6006(6) 0.050(3) Uani 1 1 d . U . . .
H9A H 0.647802 0.566522 0.621847 0.060 Uiso 1 1 calc R . . . .
C10A C 0.7351(12) 0.6691(11) 0.5882(6) 0.047(3) Uani 1 1 d . U . . .
H10A H 0.694709 0.720277 0.598593 0.056 Uiso 1 1 calc R . . . .
C11A C 0.8265(12) 0.6825(10) 0.5600(6) 0.042(3) Uani 1 1 d . U . . .
C12A C 0.9567(13) 0.7177(10) 0.4733(6) 0.048(3) Uani 1 1 d . U . . .
C13A C 0.8949(13) 0.7829(10) 0.4953(7) 0.051(3) Uani 1 1 d . U . . .
C14A C 0.8689(13) 0.8634(9) 0.4661(6) 0.047(3) Uani 1 1 d . U . . .
H14A H 0.828055 0.910330 0.481266 0.056 Uiso 1 1 calc R . . . .
C15A C 0.9046(14) 0.8717(10) 0.4151(7) 0.054(4) Uani 1 1 d . U . . .
H15A H 0.892566 0.926946 0.395749 0.064 Uiso 1 1 calc R . . . .
C16A C 0.9597(13) 0.7973(10) 0.3911(6) 0.049(3) Uani 1 1 d . U . . .
H16A H 0.980073 0.800715 0.355115 0.059 Uiso 1 1 calc R . . . .
C17A C 0.9820(12) 0.7225(10) 0.4209(7) 0.050(3) Uani 1 1 d . U . . .
C04T C 0.7591(13) 0.5029(11) 0.5826(6) 0.052(3) Uani 1 1 d . U . . .
H04T H 0.737292 0.441770 0.590179 0.062 Uiso 1 1 calc R . . . .
S1F S 0.1298(4) 0.6491(3) 0.1246(2) 0.0691(12) Uani 1 1 d . U . . .
C1F C 0.0618(15) 0.6408(10) 0.1708(9) 0.066(4) Uani 1 1 d . U . . .
S2F S -0.0111(4) 0.6373(3) 0.2218(2) 0.0726(13) Uani 1 1 d . U . . .
C1D C 0.9088(12) 0.3821(10) 0.7978(7) 0.049(3) Uani 1 1 d . U . . .
C2D C 0.9273(14) 0.4081(11) 0.7465(7) 0.056(3) Uani 1 1 d . U . . .
C3D C 0.8654(13) 0.4755(9) 0.7198(6) 0.046(3) Uani 1 1 d . U . . .
C4D C 0.7791(12) 0.5144(11) 0.7454(6) 0.049(3) Uani 1 1 d . U . . .
C5D C 0.7563(12) 0.4844(11) 0.8011(7) 0.049(3) Uani 1 1 d . U . . .
C6D C 0.8207(13) 0.4182(11) 0.8260(7) 0.054(3) Uani 1 1 d . U . . .
C7D C 0.8470(12) 0.4332(12) 0.8816(6) 0.051(3) Uani 1 1 d . U . . .
C8D C 0.8091(12) 0.5096(12) 0.9111(7) 0.052(3) Uani 1 1 d . U . . .
C9D C 0.7382(11) 0.5744(11) 0.8822(6) 0.050(3) Uani 1 1 d . U . . .
C10D C 0.7185(12) 0.5651(11) 0.8285(6) 0.047(3) Uani 1 1 d . U . . .
C11D C 0.7196(11) 0.6414(11) 0.7934(6) 0.048(3) Uani 1 1 d . U . . .
C12D C 0.7404(12) 0.7340(11) 0.8123(7) 0.049(3) Uani 1 1 d . U . . .
C13D C 0.7411(11) 0.7408(11) 0.8683(7) 0.053(3) Uani 1 1 d . U . . .
C14D C 0.7419(12) 0.6678(12) 0.9026(7) 0.055(3) Uani 1 1 d . U . . .
C15D C 0.7948(14) 0.6939(13) 0.9503(7) 0.060(4) Uani 1 1 d . U . . .
C16D C 0.8584(14) 0.6297(12) 0.9760(6) 0.058(4) Uani 1 1 d . U . . .
C17D C 0.8656(13) 0.5388(12) 0.9552(6) 0.054(3) Uani 1 1 d . U . . .
C18D C 0.9669(13) 0.5084(11) 0.9615(6) 0.051(3) Uani 1 1 d . U . . .
C19D C 1.0144(15) 0.4500(11) 0.9257(6) 0.056(3) Uani 1 1 d . U . . .
C20D C 0.9502(14) 0.4065(11) 0.8876(7) 0.055(3) Uani 1 1 d . U . . .
C21D C 0.9889(14) 0.3732(8) 0.8385(7) 0.052(3) Uani 1 1 d . U . . .
C22D C 1.0854(13) 0.3877(9) 0.8236(7) 0.051(3) Uani 1 1 d . U . . .
C23D C 1.1515(14) 0.4392(12) 0.8604(7) 0.058(4) Uani 1 1 d . U . . .
C24D C 1.1214(14) 0.4692(10) 0.9102(6) 0.051(3) Uani 1 1 d . U . . .
C25D C 1.1687(14) 0.5459(12) 0.9319(7) 0.058(4) Uani 1 1 d . U . . .
C26D C 1.1218(13) 0.6001(10) 0.9743(6) 0.049(3) Uani 1 1 d . U . . .
C27D C 1.0238(14) 0.5843(11) 0.9877(6) 0.054(3) Uani 1 1 d . U . . .
C28D C 0.9544(14) 0.6582(13) 0.9972(7) 0.057(4) Uani 1 1 d . U . . .
C29D C 0.9836(13) 0.7520(10) 0.9913(6) 0.052(3) Uani 1 1 d . U . . .
C30D C 1.0887(13) 0.7688(10) 0.9767(6) 0.050(3) Uani 1 1 d . U . . .
C31D C 1.1541(11) 0.6956(12) 0.9669(7) 0.052(3) Uani 1 1 d . U . . .
C32D C 1.2222(10) 0.6998(12) 0.9249(7) 0.050(3) Uani 1 1 d . U . . .
C33D C 1.2230(12) 0.7771(11) 0.8867(7) 0.052(3) Uani 1 1 d . U . . .
C34D C 1.1554(13) 0.8511(11) 0.8981(6) 0.050(3) Uani 1 1 d . U . . .
C35D C 1.1215(15) 0.8818(11) 0.8462(6) 0.055(3) Uani 1 1 d . U . . .
C36D C 1.0189(14) 0.9098(9) 0.8403(6) 0.049(3) Uani 1 1 d . U . . .
C37D C 0.9508(13) 0.9092(10) 0.8834(6) 0.048(3) Uani 1 1 d . U . . .
C38D C 0.9811(13) 0.8788(11) 0.9334(6) 0.051(3) Uani 1 1 d . U . . .
C39D C 1.0876(13) 0.8472(11) 0.9407(5) 0.048(3) Uani 1 1 d . U . . .
C40D C 0.9185(13) 0.8182(10) 0.9659(6) 0.050(3) Uani 1 1 d . U . . .
C41D C 0.8264(13) 0.7913(11) 0.9448(6) 0.051(3) Uani 1 1 d . U . . .
C42D C 0.7903(11) 0.8189(10) 0.8944(6) 0.046(3) Uani 1 1 d . U . . .
C43D C 0.8515(13) 0.8820(9) 0.8619(7) 0.050(3) Uani 1 1 d . U . . .
C44D C 0.8608(12) 0.8639(9) 0.8074(6) 0.046(3) Uani 1 1 d . U . . .
C45D C 0.7999(13) 0.7945(10) 0.7812(7) 0.052(3) Uani 1 1 d . U . . .
C46D C 0.8462(13) 0.7595(12) 0.7319(6) 0.051(3) Uani 1 1 d . U . . .
C47D C 0.9452(15) 0.7773(12) 0.7177(6) 0.056(3) Uani 1 1 d . U . . .
C48D C 1.0151(14) 0.8363(11) 0.7504(6) 0.053(3) Uani 1 1 d . U . . .
C49D C 0.9626(14) 0.8809(10) 0.7920(7) 0.055(3) Uani 1 1 d . U . . .
C50D C 1.1181(13) 0.7989(10) 0.7580(6) 0.049(3) Uani 1 1 d . U . . .
C51D C 1.1659(13) 0.8262(12) 0.8073(7) 0.054(3) Uani 1 1 d . U . . .
C52D C 1.2308(11) 0.7599(12) 0.8331(7) 0.052(3) Uani 1 1 d . U . . .
C53D C 1.2463(11) 0.6664(13) 0.8114(6) 0.053(3) Uani 1 1 d . U . . .
C54D C 1.2148(12) 0.6526(13) 0.7584(6) 0.053(3) Uani 1 1 d . U . . .
C55D C 1.1513(13) 0.7198(12) 0.7296(6) 0.054(3) Uani 1 1 d . U . . .
C56D C 1.0835(13) 0.6674(12) 0.6948(6) 0.052(3) Uani 1 1 d . U . . .
C57D C 0.9816(13) 0.7001(11) 0.6894(6) 0.051(3) Uani 1 1 d . U . . .
C58D C 0.9045(13) 0.6253(11) 0.6856(6) 0.049(3) Uani 1 1 d . U . . .
C59D C 0.8194(13) 0.6679(11) 0.7136(6) 0.049(3) Uani 1 1 d . U . . .
C60D C 0.7570(14) 0.6120(13) 0.7426(7) 0.058(4) Uani 1 1 d . U . . .
C61D C 1.1879(14) 0.4884(12) 0.7723(7) 0.058(4) Uani 1 1 d . U . . .
C62D C 1.2140(13) 0.5017(12) 0.8285(8) 0.057(4) Uani 1 1 d . U . . .
C63D C 1.2434(10) 0.5897(11) 0.8469(6) 0.046(3) Uani 1 1 d . U . . .
C64D C 1.2336(11) 0.6054(12) 0.9016(7) 0.054(3) Uani 1 1 d . U . . .
C65D C 1.1874(13) 0.5632(13) 0.7377(6) 0.054(3) Uani 1 1 d . U . . .
C66D C 1.1088(13) 0.5730(11) 0.6984(5) 0.049(3) Uani 1 1 d . U . . .
C67D C 1.0298(13) 0.5053(11) 0.6963(6) 0.051(3) Uani 1 1 d . U . . .
C68D C 0.9286(13) 0.5356(11) 0.6889(6) 0.049(3) Uani 1 1 d . U . . .
C69D C 1.0321(13) 0.4279(9) 0.7325(6) 0.046(3) Uani 1 1 d . U . . .
C70D C 1.1099(13) 0.4208(10) 0.7683(7) 0.053(3) Uani 1 1 d . U . . .
C1C C 0.7134(13) 0.7885(10) 0.3242(7) 0.050(3) Uani 1 1 d . U . . .
C2C C 0.7550(12) 0.7151(11) 0.2929(6) 0.049(3) Uani 1 1 d . U . . .
C3C C 0.7165(12) 0.7023(13) 0.2407(7) 0.054(3) Uani 1 1 d . U . . .
C4C C 0.6451(14) 0.7563(14) 0.2190(7) 0.062(4) Uani 1 1 d . U . . .
C5C C 0.6004(14) 0.8338(12) 0.2509(7) 0.061(4) Uani 1 1 d . U . . .
C6C C 0.6381(14) 0.8483(11) 0.3020(7) 0.057(3) Uani 1 1 d . U . . .
C7C C 0.5685(15) 0.8680(10) 0.3450(8) 0.058(4) Uani 1 1 d . U . . .
C8C C 0.4672(16) 0.8757(10) 0.3329(8) 0.066(4) Uani 1 1 d . U . . .
C9C C 0.4284(15) 0.8596(11) 0.2826(7) 0.058(4) Uani 1 1 d . U . . .
C10C C 0.4949(15) 0.8399(11) 0.2421(6) 0.057(3) Uani 1 1 d . U . . .
C11C C 0.4674(14) 0.7658(12) 0.2025(7) 0.057(4) Uani 1 1 d . U . . .
C12C C 0.3760(13) 0.7205(13) 0.2084(7) 0.057(3) Uani 1 1 d . U . . .
C13C C 0.3069(12) 0.7394(12) 0.2506(7) 0.052(3) Uani 1 1 d . U . . .
C14C C 0.3271(13) 0.8052(10) 0.2874(7) 0.053(3) Uani 1 1 d . U . . .
C15C C 0.3126(13) 0.7935(11) 0.3428(8) 0.057(4) Uani 1 1 d . U . . .
C16C C 0.2613(12) 0.7131(12) 0.3615(7) 0.054(3) Uani 1 1 d . U . . .
C17C C 0.2325(11) 0.6396(12) 0.3216(6) 0.051(3) Uani 1 1 d . U . . .
C18C C 0.2620(10) 0.6527(11) 0.2683(6) 0.046(3) Uani 1 1 d . U . . .
C19C C 0.2994(11) 0.5777(14) 0.2381(7) 0.054(3) Uani 1 1 d . U . . .
C20C C 0.3136(11) 0.4952(12) 0.2597(6) 0.046(3) Uani 1 1 d . U . . .
C21C C 0.2695(12) 0.4749(12) 0.3075(6) 0.050(3) Uani 1 1 d . U . . .
C22C C 0.2322(12) 0.5462(13) 0.3415(7) 0.055(4) Uani 1 1 d . U . . .
C23C C 0.2436(12) 0.5256(13) 0.3954(6) 0.053(3) Uani 1 1 d . U . . .
C24C C 0.2680(10) 0.5890(13) 0.4330(6) 0.050(3) Uani 1 1 d . U . . .
C25C C 0.2782(12) 0.6893(14) 0.4129(7) 0.060(4) Uani 1 1 d . U . . .
C26C C 0.3598(12) 0.7246(12) 0.4437(6) 0.054(3) Uani 1 1 d . U . . .
C27C C 0.4259(14) 0.7971(10) 0.4207(6) 0.051(3) Uani 1 1 d . U . . .
C28C C 0.3989(14) 0.8308(12) 0.3742(7) 0.061(4) Uani 1 1 d . U . . .
C29C C 0.6040(14) 0.8216(10) 0.3913(7) 0.051(3) Uani 1 1 d . U . . .
C30C C 0.5383(14) 0.7870(11) 0.4312(6) 0.054(3) Uani 1 1 d . U . . .
C31C C 0.5723(12) 0.7147(13) 0.4655(6) 0.052(3) Uani 1 1 d . U . . .
C32C C 0.6653(11) 0.6687(12) 0.4514(6) 0.051(3) Uani 1 1 d . U . . .
C33C C 0.7232(11) 0.6873(10) 0.4060(6) 0.044(3) Uani 1 1 d . U . . .
C34C C 0.6961(12) 0.7723(10) 0.3789(7) 0.049(3) Uani 1 1 d . U . . .
C35C C 0.7620(9) 0.6132(10) 0.3737(6) 0.044(3) Uani 1 1 d . U . . .
C36C C 0.7745(9) 0.6220(12) 0.3190(6) 0.047(3) Uani 1 1 d . U . . .
C37C C 0.7505(11) 0.5539(10) 0.2795(6) 0.046(3) Uani 1 1 d . U . . .
C38C C 0.7091(13) 0.4690(10) 0.2965(6) 0.050(3) Uani 1 1 d . U . . .
C39C C 0.7164(14) 0.4497(10) 0.3516(7) 0.054(3) Uani 1 1 d . U . . .
C40C C 0.7428(12) 0.5200(11) 0.3886(8) 0.054(3) Uani 1 1 d . U . . .
C41C C 0.6912(13) 0.5051(12) 0.4382(7) 0.054(3) Uani 1 1 d . U . . .
C42C C 0.6524(13) 0.5670(13) 0.4679(6) 0.054(3) Uani 1 1 d . U . . .
C43C C 0.5532(12) 0.5607(13) 0.4929(6) 0.055(3) Uani 1 1 d . U . . .
C44C C 0.5001(14) 0.4813(14) 0.4860(6) 0.057(3) Uani 1 1 d . U . . .
C45C C 0.5390(13) 0.4048(11) 0.4530(7) 0.053(3) Uani 1 1 d . U . . .
C46C C 0.6319(13) 0.4165(11) 0.4310(7) 0.054(3) Uani 1 1 d . U . . .
C47C C 0.6508(13) 0.3852(10) 0.3781(7) 0.056(4) Uani 1 1 d . U . . .
C48C C 0.5728(15) 0.3460(12) 0.3476(8) 0.064(4) Uani 1 1 d . U . . .
C49C C 0.4724(14) 0.3379(13) 0.3722(8) 0.063(4) Uani 1 1 d . U . . .
C50C C 0.4566(15) 0.3648(12) 0.4219(8) 0.064(4) Uani 1 1 d . U . . .
C51C C 0.3665(14) 0.4166(12) 0.4367(7) 0.059(4) Uani 1 1 d . U . . .
C52C C 0.3910(13) 0.4879(13) 0.4757(6) 0.057(4) Uani 1 1 d . U . . .
C53C C 0.3423(10) 0.5723(13) 0.4733(6) 0.050(3) Uani 1 1 d . U . . .
C54C C 0.2915(12) 0.4355(13) 0.3984(7) 0.057(4) Uani 1 1 d . U . . .
C55C C 0.3078(12) 0.4026(11) 0.3452(7) 0.051(3) Uani 1 1 d . U . . .
C56C C 0.3979(14) 0.3555(11) 0.3313(7) 0.057(4) Uani 1 1 d . U . . .
C57C C 0.4476(14) 0.3757(11) 0.2831(7) 0.057(4) Uani 1 1 d . U . . .
C58C C 0.5571(15) 0.3712(10) 0.2933(7) 0.058(4) Uani 1 1 d . U . . .
C59C C 0.6248(14) 0.4302(9) 0.2663(6) 0.050(3) Uani 1 1 d . U . . .
C60C C 0.5869(14) 0.4780(11) 0.2211(7) 0.056(3) Uani 1 1 d . U . . .
C61C C 0.4789(14) 0.4815(11) 0.2130(6) 0.053(3) Uani 1 1 d . U . . .
C62C C 0.4110(13) 0.4397(10) 0.2452(6) 0.049(3) Uani 1 1 d . U . . .
C63C C 0.3717(13) 0.6199(12) 0.1992(6) 0.053(3) Uani 1 1 d . U . . .
C64C C 0.4617(14) 0.5699(15) 0.1868(6) 0.061(4) Uani 1 1 d . U . . .
C65C C 0.5545(12) 0.6228(14) 0.1823(6) 0.055(3) Uani 1 1 d . U . . .
C66C C 0.5604(13) 0.7173(14) 0.1892(6) 0.057(4) Uani 1 1 d . U . . .
C67C C 0.4029(13) 0.6594(14) 0.4802(6) 0.057(4) Uani 1 1 d . U . . .
C68C C 0.5031(12) 0.6516(14) 0.4915(6) 0.054(3) Uani 1 1 d . U . . .
C69C C 0.6322(12) 0.5644(12) 0.2024(6) 0.053(3) Uani 1 1 d . U . . .
C70C C 0.7154(12) 0.6031(13) 0.2332(6) 0.054(3) Uani 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0140 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'
O O 0.0390 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2540 0.3350 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2920 0.4250 '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
C2B O1B C14B 120.9(12) . .
C1B P1B S1B 119.8(6) . .
C1B P1B C7B 97.4(7) . .
C1B P1B C13B 96.1(7) . .
C7B P1B S1B 119.7(5) . .
C7B P1B C13B 96.0(7) . .
C13B P1B S1B 122.0(5) . .
C2B C1B P1B 116.8(12) . .
C6B C1B P1B 120.9(13) . .
C6B C1B C2B 122.1(15) . .
O1B C2B C1B 121.5(15) . .
O1B C2B C3B 121.7(16) . .
C3B C2B C1B 116.8(15) . .
C8B O2B C6B 115.0(11) . .
C18B O3B C12B 119.8(11) . .
C2B C3B H3B 120.3 . .
C2B C3B C4B 119.4(16) . .
C4B C3B H3B 120.3 . .
C3B C4B H4B 119.3 . .
C5B C4B C3B 121.5(15) . .
C5B C4B H4B 119.3 . .
C4B C5B H5B 121.1 . .
C6B C5B C4B 117.8(16) . .
C6B C5B H5B 121.1 . .
C1B C6B O2B 121.7(14) . .
C1B C6B C5B 121.1(16) . .
C5B C6B O2B 117.1(14) . .
C8B C7B P1B 115.1(10) . .
C12B C7B P1B 121.9(11) . .
C12B C7B C8B 121.8(12) . .
O2B C8B C7B 124.4(12) . .
C9B C8B O2B 119.3(13) . .
C9B C8B C7B 116.1(13) . .
C8B C9B H9B 120.3 . .
C10B C9B C8B 119.3(15) . .
C10B C9B H9B 120.3 . .
C9B C10B H10B 119.0 . .
C9B C10B C11B 122.0(14) . .
C11B C10B H10B 119.0 . .
C10B C11B H11B 119.7 . .
C12B C11B C10B 120.6(14) . .
C12B C11B H11B 119.7 . .
C7B C12B O3B 120.2(13) . .
C11B C12B O3B 121.7(13) . .
C11B C12B C7B 118.0(13) . .
C14B C13B P1B 119.9(11) . .
C14B C13B C18B 123.9(15) . .
C18B C13B P1B 116.2(12) . .
C13B C14B O1B 119.9(14) . .
C13B C14B C15B 121.8(14) . .
C15B C14B O1B 117.8(14) . .
C14B C15B H15B 121.6 . .
C14B C15B C16B 116.8(16) . .
C16B C15B H15B 121.6 . .
C15B C16B H16B 120.1 . .
C15B C16B C17B 119.7(17) . .
C17B C16B H16B 120.1 . .
C16B C17B H17B 119.9 . .
C18B C17B C16B 120.1(16) . .
C18B C17B H17B 119.9 . .
C13B C18B O3B 125.4(15) . .
C13B C18B C17B 117.1(15) . .
C17B C18B O3B 117.1(14) . .
S1E C1E S2E 177.8(14) . .
C1A P1A S1A 120.6(6) . .
C1A P1A C12A 96.1(7) . .
C7A P1A S1A 119.4(5) . .
C7A P1A C1A 98.0(7) . .
C7A P1A C12A 96.4(7) . .
C12A P1A S1A 120.7(6) . .
C2A O1A C17A 117.9(11) . .
C2A C1A P1A 120.8(12) . .
C2A C1A C6A 122.2(14) . .
C6A C1A P1A 116.8(11) . .
C6A O2A C8A 117.6(11) . .
O1A C2A C3A 119.4(13) . .
C1A C2A O1A 121.3(13) . .
C1A C2A C3A 119.3(14) . .
C2A C3A H3A 120.5 . .
C4A C3A C2A 119.1(16) . .
C4A C3A H3A 120.5 . .
C11A O3A C13A 117.5(11) . .
C3A C4A H4A 118.1 . .
C3A C4A C5A 123.7(16) . .
C5A C4A H4A 118.1 . .
C4A C5A H5A 121.2 . .
C4A C5A C6A 117.7(15) . .
C6A C5A H5A 121.2 . .
C1A C6A C5A 117.2(13) . .
O2A C6A C1A 122.5(13) . .
O2A C6A C5A 120.3(14) . .
C8A C7A P1A 119.1(11) . .
C8A C7A C11A 121.0(14) . .
C11A C7A P1A 119.5(11) . .
C7A C8A O2A 120.7(13) . .
C7A C8A C04T 120.0(13) . .
C04T C8A O2A 119.2(13) . .
C10A C9A H9A 119.3 . .
C04T C9A H9A 119.3 . .
C04T C9A C10A 121.3(14) . .
C9A C10A H10A 121.0 . .
C11A C10A C9A 118.1(14) . .
C11A C10A H10A 121.0 . .
O3A C11A C7A 122.1(13) . .
O3A C11A C10A 118.4(13) . .
C7A C11A C10A 119.4(13) . .
C13A C12A P1A 119.9(13) . .
C13A C12A C17A 120.4(15) . .
C17A C12A P1A 119.5(12) . .
O3A C13A C14A 118.8(14) . .
C12A C13A O3A 121.2(14) . .
C12A C13A C14A 119.9(15) . .
C13A C14A H14A 120.9 . .
C15A C14A C13A 118.3(15) . .
C15A C14A H14A 120.9 . .
C14A C15A H15A 119.8 . .
C14A C15A C16A 120.4(15) . .
C16A C15A H15A 119.8 . .
C15A C16A H16A 120.8 . .
C17A C16A C15A 118.4(15) . .
C17A C16A H16A 120.8 . .
C12A C17A O1A 120.8(13) . .
C16A C17A O1A 117.4(14) . .
C16A C17A C12A 121.8(15) . .
C8A C04T H04T 120.3 . .
C9A C04T C8A 119.4(14) . .
C9A C04T H04T 120.3 . .
S1F C1F S2F 177.0(12) . .
C2D C1D C6D 120.4(15) . .
C2D C1D C21D 123.3(16) . .
C6D C1D C21D 105.3(14) . .
C1D C2D C3D 121.7(15) . .
C1D C2D C69D 117.0(15) . .
C3D C2D C69D 107.1(14) . .
C4D C3D C2D 120.5(14) . .
C4D C3D C68D 118.4(13) . .
C68D C3D C2D 109.4(16) . .
C3D C4D C5D 118.2(14) . .
C3D C4D C60D 121.6(14) . .
C60D C4D C5D 106.7(14) . .
C6D C5D C4D 118.9(15) . .
C6D C5D C10D 122.6(15) . .
C10D C5D C4D 106.6(13) . .
C5D C6D C1D 120.1(15) . .
C5D C6D C7D 117.7(15) . .
C7D C6D C1D 109.4(15) . .
C8D C7D C6D 122.2(16) . .
C8D C7D C20D 119.5(15) . .
C20D C7D C6D 106.7(15) . .
C7D C8D C9D 116.5(15) . .
C17D C8D C7D 117.3(16) . .
C17D C8D C9D 121.7(15) . .
C10D C9D C8D 121.8(14) . .
C10D C9D C14D 116.5(15) . .
C14D C9D C8D 112.6(15) . .
C9D C10D C5D 118.7(15) . .
C9D C10D C11D 122.3(15) . .
C11D C10D C5D 109.0(14) . .
C10D C11D C12D 121.2(14) . .
C10D C11D C60D 109.4(14) . .
C60D C11D C12D 120.0(15) . .
C13D C12D C11D 113.1(15) . .
C45D C12D C11D 119.6(14) . .
C45D C12D C13D 120.5(16) . .
C12D C13D C42D 120.3(15) . .
C14D C13D C12D 125.5(15) . .
C14D C13D C42D 107.9(16) . .
C13D C14D C9D 119.6(16) . .
C13D C14D C15D 109.4(16) . .
C15D C14D C9D 124.0(16) . .
C14D C15D C41D 107.9(16) . .
C16D C15D C14D 120.0(16) . .
C16D C15D C41D 120.1(17) . .
C15D C16D C17D 118.7(16) . .
C15D C16D C28D 120.6(17) . .
C17D C16D C28D 110.1(16) . .
C8D C17D C16D 122.4(17) . .
C8D C17D C18D 119.8(15) . .
C16D C17D C18D 108.1(16) . .
C17D C18D C27D 107.4(15) . .
C19D C18D C17D 123.0(16) . .
C19D C18D C27D 120.6(16) . .
C18D C19D C20D 115.9(17) . .
C18D C19D C24D 119.2(15) . .
C20D C19D C24D 117.9(15) . .
C19D C20D C7D 121.4(17) . .
C19D C20D C21D 121.3(16) . .
C21D C20D C7D 110.2(15) . .
C20D C21D C1D 108.4(14) . .
C22D C21D C1D 118.2(15) . .
C22D C21D C20D 122.1(16) . .
C21D C22D C23D 117.7(16) . .
C21D C22D C70D 120.7(15) . .
C23D C22D C70D 107.1(14) . .
C24D C23D C22D 123.7(17) . .
C24D C23D C62D 118.0(16) . .
C62D C23D C22D 107.3(15) . .
C23D C24D C19D 117.0(15) . .
C25D C24D C19D 118.2(15) . .
C25D C24D C23D 118.5(17) . .
C24D C25D C26D 121.6(17) . .
C24D C25D C64D 122.5(16) . .
C64D C25D C26D 108.9(15) . .
C27D C26D C25D 119.9(15) . .
C27D C26D C31D 118.1(14) . .
C31D C26D C25D 106.7(15) . .
C26D C27D C18D 119.7(15) . .
C26D C27D C28D 122.1(15) . .
C28D C27D C18D 107.5(15) . .
C27D C28D C16D 106.9(15) . .
C29D C28D C16D 118.4(17) . .
C29D C28D C27D 121.4(16) . .
C28D C29D C30D 116.4(15) . .
C28D C29D C40D 121.4(16) . .
C40D C29D C30D 110.4(14) . .
C31D C30D C29D 120.9(14) . .
C31D C30D C39D 119.1(14) . .
C39D C30D C29D 106.2(14) . .
C30D C31D C26D 120.9(14) . .
C30D C31D C32D 120.6(16) . .
C32D C31D C26D 109.2(15) . .
C31D C32D C33D 122.3(14) . .
C31D C32D C64D 109.1(14) . .
C33D C32D C64D 115.6(14) . .
C34D C33D C32D 115.5(15) . .
C52D C33D C32D 120.3(14) . .
C52D C33D C34D 112.4(15) . .
C33D C34D C35D 103.9(14) . .
C39D C34D C33D 121.8(15) . .
C39D C34D C35D 120.4(15) . .
C36D C35D C34D 118.2(15) . .
C51D C35D C34D 109.2(16) . .
C51D C35D C36D 119.5(16) . .
C35D C36D C49D 118.8(15) . .
C37D C36D C35D 121.8(14) . .
C37D C36D C49D 108.1(15) . .
C36D C37D C43D 106.6(13) . .
C38D C37D C36D 121.1(15) . .
C38D C37D C43D 120.3(14) . .
C37D C38D C39D 118.5(13) . .
C37D C38D C40D 122.4(16) . .
C40D C38D C39D 106.5(14) . .
C30D C39D C38D 108.9(14) . .
C34D C39D C30D 120.4(14) . .
C34D C39D C38D 119.9(13) . .
C29D C40D C38D 108.0(15) . .
C41D C40D C29D 120.7(14) . .
C41D C40D C38D 116.9(15) . .
C40D C41D C15D 118.7(15) . .
C40D C41D C42D 124.2(16) . .
C42D C41D C15D 105.0(14) . .
C13D C42D C43D 118.3(14) . .
C41D C42D C13D 109.7(14) . .
C41D C42D C43D 119.4(15) . .
C42D C43D C37D 116.8(14) . .
C44D C43D C37D 109.3(14) . .
C44D C43D C42D 118.7(14) . .
C43D C44D C45D 121.7(14) . .
C43D C44D C49D 108.6(15) . .
C49D C44D C45D 121.5(15) . .
C12D C45D C44D 119.1(15) . .
C12D C45D C46D 119.3(14) . .
C44D C45D C46D 112.9(15) . .
C47D C46D C45D 123.4(15) . .
C47D C46D C59D 108.6(15) . .
C59D C46D C45D 118.7(15) . .
C46D C47D C48D 123.0(16) . .
C46D C47D C57D 108.1(16) . .
C57D C47D C48D 121.0(17) . .
C49D C48D C47D 111.3(16) . .
C49D C48D C50D 121.7(14) . .
C50D C48D C47D 115.5(14) . .
C44D C49D C36D 107.4(15) . .
C48D C49D C36D 119.3(16) . .
C48D C49D C44D 126.2(16) . .
C51D C50D C48D 114.3(14) . .
C55D C50D C48D 121.1(15) . .
C55D C50D C51D 121.2(17) . .
C35D C51D C50D 125.2(17) . .
C35D C51D C52D 108.4(15) . .
C52D C51D C50D 117.8(16) . .
C33D C52D C51D 106.1(15) . .
C33D C52D C53D 122.8(16) . .
C51D C52D C53D 121.6(15) . .
C54D C53D C52D 116.1(16) . .
C54D C53D C63D 118.4(15) . .
C63D C53D C52D 118.4(14) . .
C53D C54D C55D 122.8(16) . .
C53D C54D C65D 122.9(16) . .
C65D C54D C55D 105.6(14) . .
C50D C55D C54D 117.2(15) . .
C50D C55D C56D 121.9(16) . .
C56D C55D C54D 107.6(14) . .
C57D C56D C55D 117.5(16) . .
C66D C56D C55D 108.5(15) . .
C66D C56D C57D 123.3(15) . .
C47D C57D C56D 122.3(16) . .
C47D C57D C58D 111.8(15) . .
C56D C57D C58D 114.2(14) . .
C59D C58D C57D 101.0(13) . .
C68D C58D C57D 122.4(16) . .
C68D C58D C59D 124.1(14) . .
C46D C59D C58D 110.5(14) . .
C60D C59D C46D 121.2(15) . .
C60D C59D C58D 118.4(14) . .
C11D C60D C4D 108.3(15) . .
C59D C60D C4D 118.7(16) . .
C59D C60D C11D 120.8(16) . .
C65D C61D C62D 120.3(16) . .
C65D C61D C70D 119.2(17) . .
C70D C61D C62D 109.0(16) . .
C23D C62D C61D 108.6(15) . .
C63D C62D C23D 122.0(16) . .
C63D C62D C61D 120.0(16) . .
C62D C63D C53D 120.2(14) . .
C64D C63D C53D 119.6(15) . .
C64D C63D C62D 116.3(16) . .
C25D C64D C32D 105.9(14) . .
C63D C64D C25D 118.9(16) . .
C63D C64D C32D 123.0(15) . .
C54D C65D C66D 110.0(15) . .
C61D C65D C54D 118.0(14) . .
C61D C65D C66D 120.6(16) . .
C56D C66D C65D 108.0(15) . .
C56D C66D C67D 119.1(16) . .
C67D C66D C65D 118.9(15) . .
C66D C67D C69D 119.5(15) . .
C68D C67D C66D 118.8(14) . .
C68D C67D C69D 109.9(14) . .
C58D C68D C3D 118.7(15) . .
C58D C68D C67D 122.1(15) . .
C67D C68D C3D 107.0(14) . .
C67D C69D C2D 106.6(14) . .
C70D C69D C2D 122.6(15) . .
C70D C69D C67D 119.2(15) . .
C61D C70D C22D 108.0(15) . .
C69D C70D C22D 118.0(15) . .
C69D C70D C61D 122.5(16) . .
C6C C1C C2C 119.9(15) . .
C34C C1C C2C 118.5(14) . .
C34C C1C C6C 111.5(15) . .
C1C C2C C36C 118.8(14) . .
C3C C2C C1C 118.0(16) . .
C3C C2C C36C 110.3(14) . .
C2C C3C C70C 104.6(15) . .
C4C C3C C2C 123.5(18) . .
C4C C3C C70C 121.1(18) . .
C3C C4C C5C 119.6(17) . .
C3C C4C C66C 121.7(19) . .
C66C C4C C5C 105.1(16) . .
C6C C5C C4C 117.7(16) . .
C6C C5C C10C 119.0(17) . .
C10C C5C C4C 110.7(17) . .
C1C C6C C7C 105.6(15) . .
C5C C6C C1C 121.2(16) . .
C5C C6C C7C 119.5(16) . .
C8C C7C C6C 118.1(17) . .
C8C C7C C29C 122.5(18) . .
C29C C7C C6C 108.1(15) . .
C7C C8C C9C 123.0(19) . .
C7C C8C C28C 113.1(17) . .
C9C C8C C28C 109.6(17) . .
C8C C9C C14C 109.2(15) . .
C10C C9C C8C 118.5(18) . .
C10C C9C C14C 120.3(16) . .
C5C C10C C11C 107.2(17) . .
C9C C10C C5C 121.9(17) . .
C9C C10C C11C 118.9(16) . .
C12C C11C C10C 118.2(16) . .
C12C C11C C66C 122.6(17) . .
C66C C11C C10C 106.9(16) . .
C11C C12C C13C 123.5(18) . .
C11C C12C C63C 118.8(16) . .
C13C C12C C63C 106.3(15) . .
C12C C13C C18C 109.0(15) . .
C14C C13C C12C 121.1(17) . .
C14C C13C C18C 118.3(16) . .
C13C C14C C9C 118.0(16) . .
C13C C14C C15C 124.3(16) . .
C15C C14C C9C 104.8(15) . .
C14C C15C C16C 119.2(16) . .
C14C C15C C28C 112.0(16) . .
C16C C15C C28C 118.9(16) . .
C15C C16C C17C 118.1(15) . .
C25C C16C C15C 116.4(17) . .
C25C C16C C17C 119.9(17) . .
C18C C17C C16C 118.0(15) . .
C18C C17C C22C 117.3(15) . .
C22C C17C C16C 115.3(14) . .
C17C C18C C13C 121.3(15) . .
C19C C18C C13C 110.5(14) . .
C19C C18C C17C 120.5(15) . .
C18C C19C C63C 105.4(15) . .
C20C C19C C18C 121.1(15) . .
C20C C19C C63C 123.0(15) . .
C19C C20C C21C 119.7(16) . .
C19C C20C C62C 118.8(14) . .
C21C C20C C62C 116.7(15) . .
C20C C21C C22C 121.5(16) . .
C20C C21C C55C 124.2(16) . .
C22C C21C C55C 103.7(14) . .
C21C C22C C17C 117.6(15) . .
C23C C22C C17C 122.5(16) . .
C23C C22C C21C 113.2(17) . .
C22C C23C C54C 106.7(16) . .
C24C C23C C22C 124.1(17) . .
C24C C23C C54C 117.7(15) . .
C23C C24C C25C 115.1(14) . .
C23C C24C C53C 123.0(16) . .
C53C C24C C25C 109.4(15) . .
C16C C25C C24C 122.6(16) . .
C16C C25C C26C 123.6(18) . .
C26C C25C C24C 102.9(15) . .
C25C C26C C27C 119.1(16) . .
C25C C26C C67C 114.6(17) . .
C67C C26C C27C 118.7(15) . .
C26C C27C C30C 116.3(14) . .
C28C C27C C26C 116.7(17) . .
C28C C27C C30C 117.0(16) . .
C15C C28C C8C 104.2(15) . .
C27C C28C C8C 127.2(18) . .
C27C C28C C15C 123.1(18) . .
C7C C29C C34C 109.2(16) . .
C30C C29C C7C 123.0(17) . .
C30C C29C C34C 119.9(15) . .
C29C C30C C27C 116.3(15) . .
C29C C30C C31C 119.6(16) . .
C31C C30C C27C 118.9(15) . .
C30C C31C C32C 117.0(15) . .
C30C C31C C68C 122.4(15) . .
C32C C31C C68C 111.2(16) . .
C31C C32C C42C 106.1(14) . .
C33C C32C C31C 125.4(15) . .
C33C C32C C42C 117.7(14) . .
C32C C33C C34C 114.3(15) . .
C32C C33C C35C 120.9(13) . .
C35C C33C C34C 116.8(14) . .
C1C C34C C29C 105.6(14) . .
C1C C34C C33C 123.9(14) . .
C29C C34C C33C 121.4(15) . .
C36C C35C C33C 122.3(14) . .
C36C C35C C40C 111.6(15) . .
C40C C35C C33C 119.4(14) . .
C35C C36C C2C 119.2(14) . .
C35C C36C C37C 126.7(15) . .
C37C C36C C2C 105.6(12) . .
C36C C37C C70C 107.2(14) . .
C38C C37C C36C 118.1(14) . .
C38C C37C C70C 123.3(16) . .
C37C C38C C39C 116.2(16) . .
C37C C38C C59C 118.2(15) . .
C39C C38C C59C 119.0(15) . .
C38C C39C C40C 121.2(14) . .
C38C C39C C47C 122.9(17) . .
C40C C39C C47C 107.7(15) . .
C35C C40C C39C 123.2(16) . .
C35C C40C C41C 117.1(15) . .
C39C C40C C41C 110.3(15) . .
C40C C41C C46C 105.6(15) . .
C42C C41C C40C 126.7(16) . .
C42C C41C C46C 117.0(15) . .
C41C C42C C32C 117.7(14) . .
C41C C42C C43C 125.0(18) . .
C43C C42C C32C 106.1(15) . .
C42C C43C C68C 109.8(14) . .
C44C C43C C42C 117.6(18) . .
C44C C43C C68C 121.2(14) . .
C43C C44C C45C 121.6(16) . .
C43C C44C C52C 118.5(17) . .
C52C C44C C45C 107.0(15) . .
C46C C45C C44C 117.0(15) . .
C46C C45C C50C 120.2(16) . .
C50C C45C C44C 109.7(15) . .
C45C C46C C41C 121.6(16) . .
C45C C46C C47C 120.2(16) . .
C47C C46C C41C 106.7(14) . .
C46C C47C C39C 109.7(15) . .
C48C C47C C39C 116.6(16) . .
C48C C47C C46C 120.5(17) . .
C47C C48C C49C 117.6(18) . .
C47C C48C C58C 121.8(17) . .
C58C C48C C49C 107.1(17) . .
C50C C49C C48C 121.2(19) . .
C50C C49C C56C 120.9(18) . .
C56C C49C C48C 107.4(16) . .
C49C C50C C45C 120.3(18) . .
C49C C50C C51C 121.4(18) . .
C51C C50C C45C 105.6(16) . .
C50C C51C C52C 110.8(16) . .
C54C C51C C50C 119.9(17) . .
C54C C51C C52C 118.7(16) . .
C51C C52C C44C 106.8(16) . .
C53C C52C C44C 121.6(16) . .
C53C C52C C51C 119.4(16) . .
C24C C53C C67C 107.8(16) . .
C52C C53C C24C 120.0(16) . .
C52C C53C C67C 119.0(13) . .
C51C C54C C23C 121.1(17) . .
C51C C54C C55C 118.0(16) . .
C55C C54C C23C 108.3(15) . .
C54C C55C C21C 108.1(14) . .
C56C C55C C21C 117.4(15) . .
C56C C55C C54C 121.1(16) . .
C55C C56C C49C 118.6(16) . .
C57C C56C C49C 109.4(16) . .
C57C C56C C55C 120.5(17) . .
C56C C57C C58C 107.4(17) . .
C62C C57C C56C 123.8(16) . .
C62C C57C C58C 118.9(16) . .
C48C C58C C57C 108.6(16) . .
C59C C58C C48C 121.6(18) . .
C59C C58C C57C 120.9(17) . .
C58C C59C C38C 117.7(15) . .
C58C C59C C60C 117.2(17) . .
C60C C59C C38C 119.9(14) . .
C59C C60C C61C 118.5(15) . .
C59C C60C C69C 121.9(16) . .
C61C C60C C69C 109.4(15) . .
C60C C61C C64C 104.4(15) . .
C62C C61C C60C 123.9(16) . .
C62C C61C C64C 124.0(17) . .
C57C C62C C20C 117.3(14) . .
C61C C62C C20C 117.5(14) . .
C61C C62C C57C 118.0(17) . .
C12C C63C C19C 108.7(15) . .
C64C C63C C12C 120.1(15) . .
C64C C63C C19C 118.1(15) . .
C63C C64C C61C 118.2(15) . .
C63C C64C C65C 117.2(17) . .
C65C C64C C61C 111.5(16) . .
C66C C65C C64C 124.0(18) . .
C66C C65C C69C 120.0(16) . .
C69C C65C C64C 105.7(16) . .
C11C C66C C4C 110.2(16) . .
C65C C66C C4C 119.4(17) . .
C65C C66C C11C 117.2(16) . .
C26C C67C C53C 105.3(14) . .
C68C C67C C26C 125.1(16) . .
C68C C67C C53C 118.4(17) . .
C31C C68C C43C 106.7(13) . .
C67C C68C C31C 118.0(16) . .
C67C C68C C43C 121.2(17) . .
C65C C69C C60C 108.9(15) . .
C65C C69C C70C 120.5(16) . .
C70C C69C C60C 117.7(16) . .
C3C C70C C69C 117.2(16) . .
C37C C70C C3C 112.3(16) . .
C37C C70C C69C 118.9(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1B P1B 1.939(5) .
O1B C2B 1.35(2) .
O1B C14B 1.414(18) .
P1B C1B 1.781(17) .
P1B C7B 1.797(13) .
P1B C13B 1.819(15) .
C1B C2B 1.46(2) .
C1B C6B 1.32(2) .
C2B C3B 1.38(2) .
O2B C6B 1.429(19) .
O2B C8B 1.395(18) .
O3B C12B 1.392(18) .
O3B C18B 1.384(19) .
C3B H3B 0.9500 .
C3B C4B 1.41(2) .
C4B H4B 0.9500 .
C4B C5B 1.40(2) .
C5B H5B 0.9500 .
C5B C6B 1.39(2) .
C7B C8B 1.42(2) .
C7B C12B 1.37(2) .
C8B C9B 1.39(2) .
C9B H9B 0.9500 .
C9B C10B 1.36(2) .
C10B H10B 0.9500 .
C10B C11B 1.37(2) .
C11B H11B 0.9500 .
C11B C12B 1.35(2) .
C13B C14B 1.35(2) .
C13B C18B 1.37(2) .
C14B C15B 1.37(2) .
C15B H15B 0.9500 .
C15B C16B 1.43(2) .
C16B H16B 0.9500 .
C16B C17B 1.44(3) .
C17B H17B 0.9500 .
C17B C18B 1.38(2) .
C1E S1E 1.53(2) .
C1E S2E 1.57(2) .
P1A S1A 1.946(6) .
P1A C1A 1.755(16) .
P1A C7A 1.752(16) .
P1A C12A 1.763(15) .
O1A C2A 1.384(18) .
O1A C17A 1.42(2) .
C1A C2A 1.35(2) .
C1A C6A 1.43(2) .
O2A C6A 1.347(18) .
O2A C8A 1.435(17) .
C2A C3A 1.43(2) .
C3A H3A 0.9500 .
C3A C4A 1.34(2) .
O3A C11A 1.363(18) .
O3A C13A 1.41(2) .
C4A H4A 0.9500 .
C4A C5A 1.40(2) .
C5A H5A 0.9500 .
C5A C6A 1.44(2) .
C7A C8A 1.37(2) .
C7A C11A 1.388(19) .
C8A C04T 1.42(2) .
C9A H9A 0.9500 .
C9A C10A 1.43(2) .
C9A C04T 1.36(2) .
C10A H10A 0.9500 .
C10A C11A 1.42(2) .
C12A C13A 1.37(2) .
C12A C17A 1.37(2) .
C13A C14A 1.42(2) .
C14A H14A 0.9500 .
C14A C15A 1.38(2) .
C15A H15A 0.9500 .
C15A C16A 1.44(2) .
C16A H16A 0.9500 .
C16A C17A 1.35(2) .
C04T H04T 0.9500 .
S1F C1F 1.48(2) .
C1F S2F 1.61(2) .
C1D C2D 1.37(2) .
C1D C6D 1.46(2) .
C1D C21D 1.48(2) .
C2D C3D 1.44(2) .
C2D C69D 1.46(3) .
C3D C4D 1.43(2) .
C3D C68D 1.44(2) .
C4D C5D 1.50(2) .
C4D C60D 1.44(2) .
C5D C6D 1.43(2) .
C5D C10D 1.45(2) .
C6D C7D 1.46(2) .
C7D C8D 1.42(2) .
C7D C20D 1.43(3) .
C8D C9D 1.51(2) .
C8D C17D 1.40(2) .
C9D C10D 1.39(2) .
C9D C14D 1.45(2) .
C10D C11D 1.41(2) .
C11D C12D 1.45(2) .
C11D C60D 1.44(2) .
C12D C13D 1.42(2) .
C12D C45D 1.42(2) .
C13D C14D 1.37(3) .
C13D C42D 1.46(2) .
C14D C15D 1.44(3) .
C15D C16D 1.41(3) .
C15D C41D 1.48(2) .
C16D C17D 1.42(2) .
C16D C28D 1.44(3) .
C17D C18D 1.42(2) .
C18D C19D 1.39(2) .
C18D C27D 1.49(2) .
C19D C20D 1.43(2) .
C19D C24D 1.50(3) .
C20D C21D 1.43(2) .
C21D C22D 1.35(2) .
C22D C23D 1.48(2) .
C22D C70D 1.51(3) .
C23D C24D 1.39(2) .
C23D C62D 1.47(3) .
C24D C25D 1.39(2) .
C25D C26D 1.47(2) .
C25D C64D 1.44(3) .
C26D C27D 1.36(2) .
C26D C31D 1.46(2) .
C27D C28D 1.43(2) .
C28D C29D 1.42(2) .
C29D C30D 1.46(2) .
C29D C40D 1.44(2) .
C30D C31D 1.39(2) .
C30D C39D 1.45(2) .
C31D C32D 1.39(2) .
C32D C33D 1.48(2) .
C32D C64D 1.49(2) .
C33D C34D 1.43(2) .
C33D C52D 1.38(2) .
C34D C35D 1.45(2) .
C34D C39D 1.41(2) .
C35D C36D 1.43(3) .
C35D C51D 1.40(2) .
C36D C37D 1.42(2) .
C36D C49D 1.49(2) .
C37D C38D 1.39(2) .
C37D C43D 1.48(2) .
C38D C39D 1.49(2) .
C38D C40D 1.46(2) .
C40D C41D 1.39(2) .
C41D C42D 1.42(2) .
C42D C43D 1.47(2) .
C43D C44D 1.41(2) .
C44D C45D 1.45(2) .
C44D C49D 1.43(2) .
C45D C46D 1.48(2) .
C46D C47D 1.38(3) .
C46D C59D 1.45(2) .
C47D C48D 1.50(2) .
C47D C57D 1.41(2) .
C48D C49D 1.42(2) .
C48D C50D 1.48(2) .
C50D C51D 1.45(2) .
C50D C55D 1.42(2) .
C51D C52D 1.44(2) .
C52D C53D 1.47(2) .
C53D C54D 1.41(2) .
C53D C63D 1.43(2) .
C54D C55D 1.48(3) .
C54D C65D 1.44(2) .
C55D C56D 1.47(2) .
C56D C57D 1.44(2) .
C56D C66D 1.41(2) .
C57D C58D 1.49(2) .
C58D C59D 1.47(2) .
C58D C68D 1.34(2) .
C59D C60D 1.37(2) .
C61D C62D 1.47(3) .
C61D C65D 1.39(2) .
C61D C70D 1.43(2) .
C62D C63D 1.41(2) .
C63D C64D 1.41(2) .
C65D C66D 1.45(2) .
C66D C67D 1.43(2) .
C67D C68D 1.42(3) .
C67D C69D 1.44(2) .
C69D C70D 1.37(2) .
C1C C2C 1.43(2) .
C1C C6C 1.43(2) .
C1C C34C 1.42(2) .
C2C C3C 1.43(2) .
C2C C36C 1.52(2) .
C3C C4C 1.34(3) .
C3C C70C 1.45(3) .
C4C C5C 1.50(3) .
C4C C66C 1.46(3) .
C5C C6C 1.40(3) .
C5C C10C 1.42(3) .
C6C C7C 1.45(3) .
C7C C8C 1.38(3) .
C7C C29C 1.43(2) .
C8C C9C 1.39(3) .
C8C C28C 1.53(3) .
C9C C10C 1.38(3) .
C9C C14C 1.56(3) .
C10C C11C 1.51(2) .
C11C C12C 1.39(3) .
C11C C66C 1.46(2) .
C12C C13C 1.43(2) .
C12C C63C 1.47(3) .
C13C C14C 1.36(2) .
C13C C18C 1.46(2) .
C14C C15C 1.42(3) .
C15C C16C 1.43(3) .
C15C C28C 1.49(3) .
C16C C17C 1.51(2) .
C16C C25C 1.36(3) .
C17C C18C 1.42(2) .
C17C C22C 1.44(2) .
C18C C19C 1.42(2) .
C19C C20C 1.33(3) .
C19C C63C 1.50(2) .
C20C C21C 1.37(2) .
C20C C62C 1.56(2) .
C21C C22C 1.43(2) .
C21C C55C 1.50(2) .
C22C C23C 1.40(2) .
C23C C24C 1.36(2) .
C23C C54C 1.45(3) .
C24C C25C 1.54(3) .
C24C C53C 1.43(2) .
C25C C26C 1.43(3) .
C26C C27C 1.48(2) .
C26C C67C 1.44(2) .
C27C C28C 1.32(2) .
C27C C30C 1.52(3) .
C29C C30C 1.42(2) .
C29C C34C 1.45(2) .
C30C C31C 1.43(2) .
C31C C32C 1.45(2) .
C31C C68C 1.45(2) .
C32C C33C 1.41(2) .
C32C C42C 1.54(2) .
C33C C34C 1.45(2) .
C33C C35C 1.44(2) .
C35C C36C 1.40(2) .
C35C C40C 1.42(2) .
C36C C37C 1.44(2) .
C37C C38C 1.41(2) .
C37C C70C 1.45(2) .
C38C C39C 1.42(2) .
C38C C59C 1.46(2) .
C39C C40C 1.42(2) .
C39C C47C 1.44(2) .
C40C C41C 1.45(2) .
C41C C42C 1.28(3) .
C41C C46C 1.51(2) .
C42C C43C 1.46(2) .
C43C C44C 1.36(3) .
C43C C68C 1.47(3) .
C44C C45C 1.48(3) .
C44C C52C 1.47(3) .
C45C C46C 1.36(2) .
C45C C50C 1.46(2) .
C46C C47C 1.43(2) .
C47C C48C 1.41(3) .
C48C C49C 1.48(3) .
C48C C58C 1.43(3) .
C49C C50C 1.33(3) .
C49C C56C 1.45(3) .
C50C C51C 1.46(3) .
C51C C52C 1.46(3) .
C51C C54C 1.41(3) .
C52C C53C 1.38(3) .
C53C C67C 1.50(3) .
C54C C55C 1.44(3) .
C55C C56C 1.42(2) .
C56C C57C 1.42(2) .
C57C C58C 1.47(3) .
C57C C62C 1.42(2) .
C58C C59C 1.41(2) .
C59C C60C 1.43(3) .
C60C C61C 1.45(3) .
C60C C69C 1.47(2) .
C61C C62C 1.36(2) .
C61C C64C 1.46(3) .
C63C C64C 1.43(3) .
C64C C65C 1.45(2) .
C65C C66C 1.38(3) .
C65C C69C 1.42(2) .
C67C C68C 1.36(2) .
C69C C70C 1.46(2) .
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
S1B P1B C1B C2B -94.1(12) . . . .
S1B P1B C1B C6B 90.9(13) . . . .
S1B P1B C7B C8B -95.9(10) . . . .
S1B P1B C7B C12B 96.3(12) . . . .
S1B P1B C13B C14B 88.6(12) . . . .
S1B P1B C13B C18B -92.3(12) . . . .
O1B C2B C3B C4B -175.5(13) . . . .
O1B C14B C15B C16B 174.0(13) . . . .
P1B C1B C2B O1B -6.8(19) . . . .
P1B C1B C2B C3B 173.8(11) . . . .
P1B C1B C6B O2B 7(2) . . . .
P1B C1B C6B C5B -177.6(11) . . . .
P1B C7B C8B O2B -0.4(17) . . . .
P1B C7B C8B C9B 174.7(10) . . . .
P1B C7B C12B O3B 5.6(19) . . . .
P1B C7B C12B C11B -176.8(11) . . . .
P1B C13B C14B O1B 12.2(18) . . . .
P1B C13B C14B C15B -175.9(11) . . . .
P1B C13B C18B O3B -14(2) . . . .
P1B C13B C18B C17B 174.1(11) . . . .
C1B P1B C7B C8B 34.9(12) . . . .
C1B P1B C7B C12B -132.9(12) . . . .
C1B P1B C13B C14B -42.4(13) . . . .
C1B P1B C13B C18B 136.6(12) . . . .
C1B C2B C3B C4B 4(2) . . . .
C2B O1B C14B C13B 33(2) . . . .
C2B O1B C14B C15B -139.1(14) . . . .
C2B C1B C6B O2B -167.5(14) . . . .
C2B C1B C6B C5B 8(2) . . . .
C2B C3B C4B C5B 7(2) . . . .
O2B C8B C9B C10B -175.6(14) . . . .
C3B C4B C5B C6B -10(2) . . . .
C4B C5B C6B C1B 3(2) . . . .
C4B C5B C6B O2B 178.5(12) . . . .
C6B C1B C2B O1B 168.2(14) . . . .
C6B C1B C2B C3B -11(2) . . . .
C6B O2B C8B C7B -40.9(18) . . . .
C6B O2B C8B C9B 144.2(13) . . . .
C7B P1B C1B C2B 135.3(12) . . . .
C7B P1B C1B C6B -39.8(15) . . . .
C7B P1B C13B C14B -140.6(12) . . . .
C7B P1B C13B C18B 38.5(12) . . . .
C7B C8B C9B C10B 9(2) . . . .
C8B O2B C6B C1B 37.3(19) . . . .
C8B O2B C6B C5B -138.0(13) . . . .
C8B C7B C12B O3B -161.4(12) . . . .
C8B C7B C12B C11B 16(2) . . . .
C8B C9B C10B C11B 0(2) . . . .
C9B C10B C11B C12B -2(2) . . . .
C10B C11B C12B O3B 171.1(14) . . . .
C10B C11B C12B C7B -6(2) . . . .
C12B O3B C18B C13B -28(2) . . . .
C12B O3B C18B C17B 144.8(13) . . . .
C12B C7B C8B O2B 167.4(13) . . . .
C12B C7B C8B C9B -17.5(19) . . . .
C13B P1B C1B C2B 38.4(13) . . . .
C13B P1B C1B C6B -136.6(14) . . . .
C13B P1B C7B C8B 131.8(10) . . . .
C13B P1B C7B C12B -36.0(13) . . . .
C13B C14B C15B C16B 2(2) . . . .
C14B O1B C2B C1B -36(2) . . . .
C14B O1B C2B C3B 143.3(14) . . . .
C14B C13B C18B O3B 165.4(14) . . . .
C14B C13B C18B C17B -7(2) . . . .
C14B C15B C16B C17B -7(2) . . . .
C15B C16B C17B C18B 5(2) . . . .
C16B C17B C18B O3B -171.3(13) . . . .
C16B C17B C18B C13B 2(2) . . . .
C18B O3B C12B C7B 31.9(19) . . . .
C18B O3B C12B C11B -145.6(15) . . . .
C18B C13B C14B O1B -166.7(13) . . . .
C18B C13B C14B C15B 5(2) . . . .
P1A C1A C2A O1A -7(2) . . . .
P1A C1A C2A C3A 175.9(11) . . . .
P1A C1A C6A O2A 5(2) . . . .
P1A C1A C6A C5A -177.0(12) . . . .
P1A C7A C8A O2A -7(2) . . . .
P1A C7A C8A C04T 176.0(12) . . . .
P1A C7A C11A O3A 4(2) . . . .
P1A C7A C11A C10A -179.1(11) . . . .
P1A C12A C13A O3A -8(2) . . . .
P1A C12A C13A C14A 174.9(12) . . . .
P1A C12A C17A O1A 9(2) . . . .
P1A C12A C17A C16A -174.7(13) . . . .
O1A C2A C3A C4A -174.2(14) . . . .
S1A P1A C1A C2A -92.7(13) . . . .
S1A P1A C1A C6A 92.6(13) . . . .
S1A P1A C7A C8A -92.2(13) . . . .
S1A P1A C7A C11A 94.5(12) . . . .
S1A P1A C12A C13A -91.9(14) . . . .
S1A P1A C12A C17A 92.4(13) . . . .
C1A P1A C7A C8A 39.8(14) . . . .
C1A P1A C7A C11A -133.4(12) . . . .
C1A P1A C12A C13A 136.8(14) . . . .
C1A P1A C12A C17A -38.9(14) . . . .
C1A C2A C3A C4A 3(2) . . . .
O2A C8A C04T C9A -170.7(14) . . . .
C2A O1A C17A C12A 34(2) . . . .
C2A O1A C17A C16A -142.9(15) . . . .
C2A C1A C6A O2A -169.2(15) . . . .
C2A C1A C6A C5A 8(2) . . . .
C2A C3A C4A C5A 5(3) . . . .
C3A C4A C5A C6A -6(3) . . . .
O3A C13A C14A C15A -175.2(14) . . . .
C4A C5A C6A C1A -1(2) . . . .
C4A C5A C6A O2A 177.0(15) . . . .
C6A C1A C2A O1A 167.5(14) . . . .
C6A C1A C2A C3A -10(2) . . . .
C6A O2A C8A C7A -36(2) . . . .
C6A O2A C8A C04T 140.1(15) . . . .
C7A P1A C1A C2A 136.0(14) . . . .
C7A P1A C1A C6A -38.6(13) . . . .
C7A P1A C12A C13A 38.0(14) . . . .
C7A P1A C12A C17A -137.7(13) . . . .
C7A C8A C04T C9A 6(2) . . . .
C8A O2A C6A C1A 37(2) . . . .
C8A O2A C6A C5A -140.3(15) . . . .
C8A C7A C11A O3A -168.9(14) . . . .
C8A C7A C11A C10A 8(2) . . . .
C9A C10A C11A O3A 176.9(14) . . . .
C9A C10A C11A C7A 0(2) . . . .
C10A C9A C04T C8A 2(2) . . . .
C11A O3A C13A C12A -35(2) . . . .
C11A O3A C13A C14A 142.3(14) . . . .
C11A C7A C8A O2A 165.6(14) . . . .
C11A C7A C8A C04T -11(2) . . . .
C12A P1A C1A C2A 38.6(14) . . . .
C12A P1A C1A C6A -136.0(13) . . . .
C12A P1A C7A C8A 136.9(13) . . . .
C12A P1A C7A C11A -36.3(13) . . . .
C12A C13A C14A C15A 2(2) . . . .
C13A O3A C11A C7A 37(2) . . . .
C13A O3A C11A C10A -139.7(14) . . . .
C13A C12A C17A O1A -166.9(14) . . . .
C13A C12A C17A C16A 10(2) . . . .
C13A C14A C15A C16A 5(2) . . . .
C14A C15A C16A C17A -5(2) . . . .
C15A C16A C17A O1A 174.2(13) . . . .
C15A C16A C17A C12A -2(2) . . . .
C17A O1A C2A C1A -35(2) . . . .
C17A O1A C2A C3A 142.2(14) . . . .
C17A C12A C13A O3A 167.9(14) . . . .
C17A C12A C13A C14A -9(2) . . . .
C04T C9A C10A C11A -5(2) . . . .
C1D C2D C3D C4D -3(2) . . . .
C1D C2D C3D C68D 139.4(16) . . . .
C1D C2D C69D C67D -142.4(13) . . . .
C1D C2D C69D C70D 0(2) . . . .
C1D C6D C7D C8D 142.9(15) . . . .
C1D C6D C7D C20D 0.0(17) . . . .
C1D C21D C22D C23D 139.9(15) . . . .
C1D C21D C22D C70D 5.6(18) . . . .
C2D C1D C6D C5D -3(2) . . . .
C2D C1D C6D C7D -143.8(15) . . . .
C2D C1D C21D C20D 141.6(15) . . . .
C2D C1D C21D C22D -3(2) . . . .
C2D C3D C4D C5D 1(2) . . . .
C2D C3D C4D C60D 136.7(17) . . . .
C2D C3D C68D C58D -143.0(15) . . . .
C2D C3D C68D C67D 0.1(16) . . . .
C2D C69D C70D C22D 2.3(19) . . . .
C2D C69D C70D C61D -136.6(16) . . . .
C3D C2D C69D C67D -1.7(16) . . . .
C3D C2D C69D C70D 141.0(13) . . . .
C3D C4D C5D C6D 0(2) . . . .
C3D C4D C5D C10D 143.3(15) . . . .
C3D C4D C60D C11D -141.3(16) . . . .
C3D C4D C60D C59D 1(3) . . . .
C4D C3D C68D C58D 0(2) . . . .
C4D C3D C68D C67D 143.5(14) . . . .
C4D C5D C6D C1D 1(2) . . . .
C4D C5D C6D C7D 138.9(15) . . . .
C4D C5D C10D C9D -147.9(14) . . . .
C4D C5D C10D C11D -1.5(18) . . . .
C5D C4D C60D C11D -1.5(18) . . . .
C5D C4D C60D C59D 141.2(15) . . . .
C5D C6D C7D C8D 1(2) . . . .
C5D C6D C7D C20D -141.7(14) . . . .
C5D C10D C11D C12D -145.8(14) . . . .
C5D C10D C11D C60D 0.6(19) . . . .
C6D C1D C2D C3D 4(2) . . . .
C6D C1D C2D C69D 138.6(15) . . . .
C6D C1D C21D C20D -2.3(16) . . . .
C6D C1D C21D C22D -146.8(13) . . . .
C6D C5D C10D C9D -6(2) . . . .
C6D C5D C10D C11D 140.6(15) . . . .
C6D C7D C8D C9D 1(2) . . . .
C6D C7D C8D C17D -155.9(15) . . . .
C6D C7D C20D C19D 149.2(14) . . . .
C6D C7D C20D C21D -1.5(17) . . . .
C7D C8D C9D C10D -6(2) . . . .
C7D C8D C9D C14D -151.7(14) . . . .
C7D C8D C17D C16D 156.9(15) . . . .
C7D C8D C17D C18D 15(2) . . . .
C7D C20D C21D C1D 2.4(16) . . . .
C7D C20D C21D C22D 145.2(14) . . . .
C8D C7D C20D C19D 5(2) . . . .
C8D C7D C20D C21D -145.5(15) . . . .
C8D C9D C10D C5D 8(2) . . . .
C8D C9D C10D C11D -133.6(16) . . . .
C8D C9D C14D C13D 138.2(15) . . . .
C8D C9D C14D C15D -9(2) . . . .
C8D C17D C18D C19D 0(2) . . . .
C8D C17D C18D C27D 147.1(15) . . . .
C9D C8D C17D C16D 1(2) . . . .
C9D C8D C17D C18D -140.5(16) . . . .
C9D C10D C11D C12D -1(2) . . . .
C9D C10D C11D C60D 145.6(16) . . . .
C9D C14D C15D C16D 9(3) . . . .
C9D C14D C15D C41D 151.6(15) . . . .
C10D C5D C6D C1D -136.3(16) . . . .
C10D C5D C6D C7D 1(2) . . . .
C10D C9D C14D C13D -10(2) . . . .
C10D C9D C14D C15D -156.9(16) . . . .
C10D C11D C12D C13D -10(2) . . . .
C10D C11D C12D C45D 141.1(16) . . . .
C10D C11D C60D C4D 0.6(19) . . . .
C10D C11D C60D C59D -141.2(17) . . . .
C11D C12D C13D C14D 12(2) . . . .
C11D C12D C13D C42D 160.8(13) . . . .
C11D C12D C45D C44D -149.9(14) . . . .
C11D C12D C45D C46D -5(2) . . . .
C12D C11D C60D C4D 147.5(15) . . . .
C12D C11D C60D C59D 6(2) . . . .
C12D C13D C14D C9D -2(3) . . . .
C12D C13D C14D C15D 149.4(16) . . . .
C12D C13D C42D C41D -150.8(14) . . . .
C12D C13D C42D C43D -9(2) . . . .
C12D C45D C46D C47D -135.4(17) . . . .
C12D C45D C46D C59D 7(2) . . . .
C13D C12D C45D C44D -1(2) . . . .
C13D C12D C45D C46D 144.7(15) . . . .
C13D C14D C15D C16D -141.3(16) . . . .
C13D C14D C15D C41D 1.4(19) . . . .
C13D C42D C43D C37D -135.0(14) . . . .
C13D C42D C43D C44D -1(2) . . . .
C14D C9D C10D C5D 152.7(15) . . . .
C14D C9D C10D C11D 11(2) . . . .
C14D C13D C42D C41D 2.9(17) . . . .
C14D C13D C42D C43D 144.7(14) . . . .
C14D C15D C16D C17D -3(3) . . . .
C14D C15D C16D C28D 138.5(17) . . . .
C14D C15D C41D C40D -143.6(15) . . . .
C14D C15D C41D C42D 0.4(18) . . . .
C15D C16D C17D C8D -2(2) . . . .
C15D C16D C17D C18D 143.4(16) . . . .
C15D C16D C28D C27D -142.1(16) . . . .
C15D C16D C28D C29D -1(2) . . . .
C15D C41D C42D C13D -2.0(17) . . . .
C15D C41D C42D C43D -143.2(14) . . . .
C16D C15D C41D C40D -1(2) . . . .
C16D C15D C41D C42D 143.1(16) . . . .
C16D C17D C18D C19D -146.7(15) . . . .
C16D C17D C18D C27D 0.4(17) . . . .
C16D C28D C29D C30D -137.8(15) . . . .
C16D C28D C29D C40D 2(2) . . . .
C17D C8D C9D C10D 149.9(16) . . . .
C17D C8D C9D C14D 4(2) . . . .
C17D C16D C28D C27D 2.0(19) . . . .
C17D C16D C28D C29D 143.6(16) . . . .
C17D C18D C19D C20D -12(2) . . . .
C17D C18D C19D C24D 137.7(16) . . . .
C17D C18D C27D C26D -144.3(15) . . . .
C17D C18D C27D C28D 0.9(18) . . . .
C18D C19D C20D C7D 10(2) . . . .
C18D C19D C20D C21D 157.1(14) . . . .
C18D C19D C24D C23D -152.4(15) . . . .
C18D C19D C24D C25D -1(2) . . . .
C18D C27D C28D C16D -1.7(18) . . . .
C18D C27D C28D C29D -141.9(16) . . . .
C19D C18D C27D C26D 4(2) . . . .
C19D C18D C27D C28D 148.9(15) . . . .
C19D C20D C21D C1D -148.3(15) . . . .
C19D C20D C21D C22D -6(2) . . . .
C19D C24D C25D C26D 8(2) . . . .
C19D C24D C25D C64D -139.3(16) . . . .
C20D C7D C8D C9D 139.4(15) . . . .
C20D C7D C8D C17D -18(2) . . . .
C20D C19D C24D C23D -3(2) . . . .
C20D C19D C24D C25D 148.7(15) . . . .
C20D C21D C22D C23D 1(2) . . . .
C20D C21D C22D C70D -133.7(15) . . . .
C21D C1D C2D C3D -134.8(16) . . . .
C21D C1D C2D C69D 0(2) . . . .
C21D C1D C6D C5D 142.1(14) . . . .
C21D C1D C6D C7D 1.4(17) . . . .
C21D C22D C23D C24D 3(2) . . . .
C21D C22D C23D C62D -139.8(15) . . . .
C21D C22D C70D C61D 138.9(14) . . . .
C21D C22D C70D C69D -5.5(18) . . . .
C22D C23D C24D C19D -2(2) . . . .
C22D C23D C24D C25D -153.5(16) . . . .
C22D C23D C62D C61D -0.7(19) . . . .
C22D C23D C62D C63D 145.5(15) . . . .
C23D C22D C70D C61D 0.5(16) . . . .
C23D C22D C70D C69D -143.9(13) . . . .
C23D C24D C25D C26D 159.4(16) . . . .
C23D C24D C25D C64D 12(2) . . . .
C23D C62D C63D C53D -141.5(17) . . . .
C23D C62D C63D C64D 16(2) . . . .
C24D C19D C20D C7D -140.9(15) . . . .
C24D C19D C20D C21D 7(2) . . . .
C24D C23D C62D C61D -146.2(16) . . . .
C24D C23D C62D C63D 0(3) . . . .
C24D C25D C26D C27D -10(2) . . . .
C24D C25D C26D C31D -147.6(16) . . . .
C24D C25D C64D C32D 148.7(16) . . . .
C24D C25D C64D C63D 5(2) . . . .
C25D C26D C27D C18D 4(2) . . . .
C25D C26D C27D C28D -136.3(17) . . . .
C25D C26D C31D C30D 142.9(16) . . . .
C25D C26D C31D C32D -3.9(18) . . . .
C26D C25D C64D C32D -2.4(18) . . . .
C26D C25D C64D C63D -146.1(15) . . . .
C26D C27D C28D C16D 142.4(16) . . . .
C26D C27D C28D C29D 2(3) . . . .
C26D C31D C32D C33D 141.8(15) . . . .
C26D C31D C32D C64D 2.4(18) . . . .
C27D C18D C19D C20D -155.3(14) . . . .
C27D C18D C19D C24D -5(2) . . . .
C27D C26D C31D C30D 4(2) . . . .
C27D C26D C31D C32D -142.5(14) . . . .
C27D C28D C29D C30D -2(2) . . . .
C27D C28D C29D C40D 137.3(17) . . . .
C28D C16D C17D C8D -147.1(16) . . . .
C28D C16D C17D C18D -1.5(18) . . . .
C28D C29D C30D C31D 3(2) . . . .
C28D C29D C30D C39D 142.9(14) . . . .
C28D C29D C40D C38D -140.6(16) . . . .
C28D C29D C40D C41D -2(2) . . . .
C29D C30D C31D C26D -4(2) . . . .
C29D C30D C31D C32D 138.8(16) . . . .
C29D C30D C39D C34D -143.9(15) . . . .
C29D C30D C39D C38D 0.2(16) . . . .
C29D C40D C41D C15D 2(2) . . . .
C29D C40D C41D C42D -134.8(16) . . . .
C30D C29D C40D C38D 0.9(17) . . . .
C30D C29D C40D C41D 139.2(15) . . . .
C30D C31D C32D C33D -5(2) . . . .
C30D C31D C32D C64D -144.5(15) . . . .
C31D C26D C27D C18D 136.7(16) . . . .
C31D C26D C27D C28D -3(2) . . . .
C31D C30D C39D C34D -3(2) . . . .
C31D C30D C39D C38D 140.9(15) . . . .
C31D C32D C33D C34D 5(2) . . . .
C31D C32D C33D C52D -135.2(17) . . . .
C31D C32D C64D C25D 0.0(18) . . . .
C31D C32D C64D C63D 141.8(15) . . . .
C32D C33D C34D C35D -144.6(14) . . . .
C32D C33D C34D C39D -4(2) . . . .
C32D C33D C52D C51D 141.9(14) . . . .
C32D C33D C52D C53D -5(2) . . . .
C33D C32D C64D C25D -142.5(14) . . . .
C33D C32D C64D C63D -1(2) . . . .
C33D C34D C35D C36D 142.4(14) . . . .
C33D C34D C35D C51D 1.4(18) . . . .
C33D C34D C39D C30D 4(2) . . . .
C33D C34D C39D C38D -136.6(16) . . . .
C33D C52D C53D C54D 156.4(15) . . . .
C33D C52D C53D C63D 6(2) . . . .
C34D C33D C52D C51D 0.5(19) . . . .
C34D C33D C52D C53D -146.2(15) . . . .
C34D C35D C36D C37D 1(2) . . . .
C34D C35D C36D C49D -138.6(15) . . . .
C34D C35D C51D C50D 145.4(16) . . . .
C34D C35D C51D C52D -1.2(19) . . . .
C35D C34D C39D C30D 137.5(16) . . . .
C35D C34D C39D C38D -3(2) . . . .
C35D C36D C37D C38D -2(2) . . . .
C35D C36D C37D C43D -144.2(13) . . . .
C35D C36D C49D C44D 144.6(14) . . . .
C35D C36D C49D C48D -8(2) . . . .
C35D C51D C52D C33D 0.4(18) . . . .
C35D C51D C52D C53D 147.6(16) . . . .
C36D C35D C51D C50D 5(2) . . . .
C36D C35D C51D C52D -141.6(14) . . . .
C36D C37D C38D C39D 0(2) . . . .
C36D C37D C38D C40D -136.4(15) . . . .
C36D C37D C43D C42D 140.1(13) . . . .
C36D C37D C43D C44D 1.8(15) . . . .
C37D C36D C49D C44D 0.3(16) . . . .
C37D C36D C49D C48D -151.8(15) . . . .
C37D C38D C39D C30D -142.6(14) . . . .
C37D C38D C39D C34D 2(2) . . . .
C37D C38D C40D C29D 140.4(16) . . . .
C37D C38D C40D C41D 0(2) . . . .
C37D C43D C44D C45D 147.3(13) . . . .
C37D C43D C44D C49D -1.6(16) . . . .
C38D C37D C43D C42D -3(2) . . . .
C38D C37D C43D C44D -141.2(14) . . . .
C38D C40D C41D C15D 136.8(16) . . . .
C38D C40D C41D C42D 0(2) . . . .
C39D C30D C31D C26D -139.1(16) . . . .
C39D C30D C31D C32D 4(2) . . . .
C39D C34D C35D C36D 2(2) . . . .
C39D C34D C35D C51D -139.4(16) . . . .
C39D C38D C40D C29D -0.8(16) . . . .
C39D C38D C40D C41D -140.9(14) . . . .
C40D C29D C30D C31D -140.5(16) . . . .
C40D C29D C30D C39D -0.7(17) . . . .
C40D C38D C39D C30D 0.3(16) . . . .
C40D C38D C39D C34D 144.7(15) . . . .
C40D C41D C42D C13D 139.6(15) . . . .
C40D C41D C42D C43D -2(2) . . . .
C41D C15D C16D C17D -140.8(16) . . . .
C41D C15D C16D C28D 0(2) . . . .
C41D C42D C43D C37D 3.0(18) . . . .
C41D C42D C43D C44D 137.4(15) . . . .
C42D C13D C14D C9D -154.3(15) . . . .
C42D C13D C14D C15D -2.6(18) . . . .
C42D C43D C44D C45D 10(2) . . . .
C42D C43D C44D C49D -139.1(14) . . . .
C43D C37D C38D C39D 138.0(15) . . . .
C43D C37D C38D C40D 1(2) . . . .
C43D C44D C45D C12D -9(2) . . . .
C43D C44D C45D C46D -156.8(14) . . . .
C43D C44D C49D C36D 0.8(16) . . . .
C43D C44D C49D C48D 150.5(15) . . . .
C44D C45D C46D C47D 12(2) . . . .
C44D C45D C46D C59D 154.7(13) . . . .
C45D C12D C13D C14D -139.1(17) . . . .
C45D C12D C13D C42D 10(2) . . . .
C45D C44D C49D C36D -148.1(13) . . . .
C45D C44D C49D C48D 2(2) . . . .
C45D C46D C47D C48D -2(2) . . . .
C45D C46D C47D C57D 147.5(15) . . . .
C45D C46D C59D C58D -148.7(13) . . . .
C45D C46D C59D C60D -4(2) . . . .
C46D C47D C48D C49D -9(2) . . . .
C46D C47D C48D C50D 135.4(16) . . . .
C46D C47D C57D C56D -142.6(15) . . . .
C46D C47D C57D C58D -1.7(17) . . . .
C46D C59D C60D C4D -140.7(16) . . . .
C46D C59D C60D C11D -3(2) . . . .
C47D C46D C59D C58D -1.0(17) . . . .
C47D C46D C59D C60D 144.1(16) . . . .
C47D C48D C49D C36D 155.3(13) . . . .
C47D C48D C49D C44D 9(2) . . . .
C47D C48D C50D C51D -150.5(14) . . . .
C47D C48D C50D C55D 9(2) . . . .
C47D C57D C58D C59D 1.0(16) . . . .
C47D C57D C58D C68D -142.0(16) . . . .
C48D C47D C57D C56D 7(2) . . . .
C48D C47D C57D C58D 148.2(14) . . . .
C48D C50D C51D C35D 1(2) . . . .
C48D C50D C51D C52D 144.6(15) . . . .
C48D C50D C55D C54D -141.0(15) . . . .
C48D C50D C55D C56D -5(2) . . . .
C49D C36D C37D C38D 141.3(15) . . . .
C49D C36D C37D C43D -1.2(15) . . . .
C49D C44D C45D C12D 135.5(15) . . . .
C49D C44D C45D C46D -11.9(19) . . . .
C49D C48D C50D C51D -10(2) . . . .
C49D C48D C50D C55D 148.8(16) . . . .
C50D C48D C49D C36D 14(2) . . . .
C50D C48D C49D C44D -132.6(16) . . . .
C50D C51D C52D C33D -148.9(15) . . . .
C50D C51D C52D C53D -2(2) . . . .
C50D C55D C56D C57D 1(2) . . . .
C50D C55D C56D C66D -144.4(15) . . . .
C51D C35D C36D C37D 137.7(15) . . . .
C51D C35D C36D C49D -2(2) . . . .
C51D C50D C55D C54D 17(2) . . . .
C51D C50D C55D C56D 153.0(15) . . . .
C51D C52D C53D C54D 15(2) . . . .
C51D C52D C53D C63D -135.5(16) . . . .
C52D C33D C34D C35D -1.1(19) . . . .
C52D C33D C34D C39D 139.0(16) . . . .
C52D C53D C54D C55D -12(2) . . . .
C52D C53D C54D C65D -155.2(16) . . . .
C52D C53D C63D C62D 152.3(14) . . . .
C52D C53D C63D C64D -5(2) . . . .
C53D C54D C55D C50D -3(2) . . . .
C53D C54D C55D C56D -144.7(15) . . . .
C53D C54D C65D C61D 3(2) . . . .
C53D C54D C65D C66D 147.0(15) . . . .
C53D C63D C64D C25D 139.4(16) . . . .
C53D C63D C64D C32D 2(2) . . . .
C54D C53D C63D C62D 3(2) . . . .
C54D C53D C63D C64D -154.2(14) . . . .
C54D C55D C56D C57D 141.1(14) . . . .
C54D C55D C56D C66D -4.7(17) . . . .
C54D C65D C66D C56D -1.7(18) . . . .
C54D C65D C66D C67D -141.4(14) . . . .
C55D C50D C51D C35D -158.3(16) . . . .
C55D C50D C51D C52D -15(2) . . . .
C55D C54D C65D C61D -145.1(15) . . . .
C55D C54D C65D C66D -1.1(17) . . . .
C55D C56D C57D C47D -3(2) . . . .
C55D C56D C57D C58D -142.7(14) . . . .
C55D C56D C66D C65D 3.9(17) . . . .
C55D C56D C66D C67D 143.5(13) . . . .
C56D C57D C58D C59D 145.3(13) . . . .
C56D C57D C58D C68D 2(2) . . . .
C56D C66D C67D C68D 2(2) . . . .
C56D C66D C67D C69D -136.9(15) . . . .
C57D C47D C48D C49D -154.1(14) . . . .
C57D C47D C48D C50D -10(2) . . . .
C57D C56D C66D C65D -139.4(15) . . . .
C57D C56D C66D C67D 0(2) . . . .
C57D C58D C59D C46D 0.0(15) . . . .
C57D C58D C59D C60D -146.2(14) . . . .
C57D C58D C68D C3D 137.4(16) . . . .
C57D C58D C68D C67D 0(2) . . . .
C58D C59D C60D C4D 2(2) . . . .
C58D C59D C60D C11D 139.7(16) . . . .
C59D C46D C47D C48D -147.6(15) . . . .
C59D C46D C47D C57D 1.6(17) . . . .
C59D C58D C68D C3D 3(2) . . . .
C59D C58D C68D C67D -134.5(16) . . . .
C60D C4D C5D C6D -141.9(15) . . . .
C60D C4D C5D C10D 1.8(18) . . . .
C60D C11D C12D C13D -153.2(15) . . . .
C60D C11D C12D C45D -2(2) . . . .
C61D C62D C63D C53D 1(2) . . . .
C61D C62D C63D C64D 158.8(15) . . . .
C61D C65D C66D C56D 141.2(16) . . . .
C61D C65D C66D C67D 1(2) . . . .
C62D C23D C24D C19D 137.5(16) . . . .
C62D C23D C24D C25D -14(2) . . . .
C62D C61D C65D C54D 1(2) . . . .
C62D C61D C65D C66D -139.0(17) . . . .
C62D C61D C70D C22D -0.9(17) . . . .
C62D C61D C70D C69D 141.5(15) . . . .
C62D C63D C64D C25D -19(2) . . . .
C62D C63D C64D C32D -155.7(14) . . . .
C63D C53D C54D C55D 137.8(15) . . . .
C63D C53D C54D C65D -5(2) . . . .
C64D C25D C26D C27D 141.5(15) . . . .
C64D C25D C26D C31D 3.8(18) . . . .
C64D C32D C33D C34D 142.2(14) . . . .
C64D C32D C33D C52D 2(2) . . . .
C65D C54D C55D C50D 145.4(14) . . . .
C65D C54D C55D C56D 3.5(16) . . . .
C65D C61D C62D C23D 144.0(16) . . . .
C65D C61D C62D C63D -3(3) . . . .
C65D C61D C70D C22D -144.3(15) . . . .
C65D C61D C70D C69D -2(2) . . . .
C65D C66D C67D C68D 137.5(15) . . . .
C65D C66D C67D C69D -2(2) . . . .
C66D C56D C57D C47D 137.7(16) . . . .
C66D C56D C57D C58D -2(2) . . . .
C66D C67D C68D C3D -144.0(13) . . . .
C66D C67D C68D C58D -2(2) . . . .
C66D C67D C69D C2D 144.4(14) . . . .
C66D C67D C69D C70D 0(2) . . . .
C67D C69D C70D C22D 140.6(13) . . . .
C67D C69D C70D C61D 2(2) . . . .
C68D C3D C4D C5D -138.0(15) . . . .
C68D C3D C4D C60D -2(2) . . . .
C68D C58D C59D C46D 142.1(17) . . . .
C68D C58D C59D C60D -4(2) . . . .
C68D C67D C69D C2D 1.8(16) . . . .
C68D C67D C69D C70D -142.4(14) . . . .
C69D C2D C3D C4D -141.5(14) . . . .
C69D C2D C3D C68D 1.0(16) . . . .
C69D C67D C68D C3D -1.2(16) . . . .
C69D C67D C68D C58D 140.4(15) . . . .
C70D C22D C23D C24D 143.2(16) . . . .
C70D C22D C23D C62D 0.1(17) . . . .
C70D C61D C62D C23D 1.0(19) . . . .
C70D C61D C62D C63D -146.0(15) . . . .
C70D C61D C65D C54D 140.3(16) . . . .
C70D C61D C65D C66D 0(2) . . . .
C1C C2C C3C C4C 1(2) . . . .
C1C C2C C3C C70C -143.1(14) . . . .
C1C C2C C36C C35C -7(2) . . . .
C1C C2C C36C C37C 143.2(14) . . . .
C1C C6C C7C C8C -143.6(15) . . . .
C1C C6C C7C C29C 0.9(17) . . . .
C2C C1C C6C C5C 3(2) . . . .
C2C C1C C6C C7C 143.1(15) . . . .
C2C C1C C34C C29C -143.5(14) . . . .
C2C C1C C34C C33C 4(2) . . . .
C2C C3C C4C C5C -1(3) . . . .
C2C C3C C4C C66C -135.8(17) . . . .
C2C C3C C70C C37C 1.0(19) . . . .
C2C C3C C70C C69C 143.9(13) . . . .
C2C C36C C37C C38C -146.6(14) . . . .
C2C C36C C37C C70C -1.8(14) . . . .
C3C C2C C36C C35C -147.6(13) . . . .
C3C C2C C36C C37C 2.5(15) . . . .
C3C C4C C5C C6C 2(2) . . . .
C3C C4C C5C C10C -139.6(16) . . . .
C3C C4C C66C C11C 138.8(17) . . . .
C3C C4C C66C C65C -1(2) . . . .
C4C C3C C70C C37C -144.5(15) . . . .
C4C C3C C70C C69C -2(2) . . . .
C4C C5C C6C C1C -3(2) . . . .
C4C C5C C6C C7C -137.6(16) . . . .
C4C C5C C10C C9C 141.0(15) . . . .
C4C C5C C10C C11C -1.1(17) . . . .
C5C C4C C66C C11C -1.4(18) . . . .
C5C C4C C66C C65C -141.3(16) . . . .
C5C C6C C7C C8C -3(2) . . . .
C5C C6C C7C C29C 141.7(15) . . . .
C5C C10C C11C C12C 143.5(15) . . . .
C5C C10C C11C C66C 0.2(17) . . . .
C6C C1C C2C C3C -2(2) . . . .
C6C C1C C2C C36C -139.8(15) . . . .
C6C C1C C34C C29C 1.8(17) . . . .
C6C C1C C34C C33C 149.0(15) . . . .
C6C C5C C10C C9C 0(2) . . . .
C6C C5C C10C C11C -142.1(15) . . . .
C6C C7C C8C C9C 4(2) . . . .
C6C C7C C8C C28C 139.7(15) . . . .
C6C C7C C29C C30C -148.6(15) . . . .
C6C C7C C29C C34C 0.2(18) . . . .
C7C C8C C9C C10C -4(2) . . . .
C7C C8C C9C C14C 139.1(15) . . . .
C7C C8C C28C C15C -145.7(15) . . . .
C7C C8C C28C C27C 8(2) . . . .
C7C C29C C30C C27C 3(2) . . . .
C7C C29C C30C C31C 157.5(15) . . . .
C7C C29C C34C C1C -1.2(17) . . . .
C7C C29C C34C C33C -149.4(14) . . . .
C8C C7C C29C C30C -6(2) . . . .
C8C C7C C29C C34C 142.8(17) . . . .
C8C C9C C10C C5C 1(2) . . . .
C8C C9C C10C C11C 139.2(16) . . . .
C8C C9C C14C C13C -142.5(15) . . . .
C8C C9C C14C C15C 0.6(18) . . . .
C9C C8C C28C C15C -4.3(18) . . . .
C9C C8C C28C C27C 149.8(18) . . . .
C9C C10C C11C C12C 0(2) . . . .
C9C C10C C11C C66C -143.2(16) . . . .
C9C C14C C15C C16C -148.8(14) . . . .
C9C C14C C15C C28C -3.5(17) . . . .
C10C C5C C6C C1C 135.5(18) . . . .
C10C C5C C6C C7C 1(2) . . . .
C10C C9C C14C C13C -1(2) . . . .
C10C C9C C14C C15C 142.6(15) . . . .
C10C C11C C12C C13C -1(2) . . . .
C10C C11C C12C C63C -139.5(16) . . . .
C10C C11C C66C C4C 0.8(19) . . . .
C10C C11C C66C C65C 141.7(15) . . . .
C11C C12C C13C C14C 1(2) . . . .
C11C C12C C13C C18C -141.5(16) . . . .
C11C C12C C63C C19C 143.5(16) . . . .
C11C C12C C63C C64C 3(2) . . . .
C12C C11C C66C C4C -140.5(17) . . . .
C12C C11C C66C C65C 0(3) . . . .
C12C C13C C14C C9C 0(2) . . . .
C12C C13C C14C C15C -135.6(18) . . . .
C12C C13C C18C C17C 148.8(14) . . . .
C12C C13C C18C C19C -0.7(17) . . . .
C12C C63C C64C C61C 136.2(17) . . . .
C12C C63C C64C C65C -2(2) . . . .
C13C C12C C63C C19C -1.4(18) . . . .
C13C C12C C63C C64C -141.9(14) . . . .
C13C C14C C15C C16C -9(2) . . . .
C13C C14C C15C C28C 136.6(17) . . . .
C13C C18C C19C C20C 145.5(15) . . . .
C13C C18C C19C C63C -0.2(16) . . . .
C14C C9C C10C C5C -137.2(17) . . . .
C14C C9C C10C C11C 1(2) . . . .
C14C C13C C18C C17C 5(2) . . . .
C14C C13C C18C C19C -144.5(15) . . . .
C14C C15C C16C C17C 5(2) . . . .
C14C C15C C16C C25C 158.7(15) . . . .
C14C C15C C28C C8C 4.8(17) . . . .
C14C C15C C28C C27C -150.7(16) . . . .
C15C C16C C17C C18C 3(2) . . . .
C15C C16C C17C C22C 148.4(15) . . . .
C15C C16C C25C C24C -153.8(14) . . . .
C15C C16C C25C C26C -16(2) . . . .
C16C C15C C28C C8C 150.3(15) . . . .
C16C C15C C28C C27C -5(2) . . . .
C16C C17C C18C C13C -8(2) . . . .
C16C C17C C18C C19C 138.6(15) . . . .
C16C C17C C22C C21C -140.8(15) . . . .
C16C C17C C22C C23C 9(2) . . . .
C16C C25C C26C C27C 5(2) . . . .
C16C C25C C26C C67C -144.0(17) . . . .
C17C C16C C25C C24C -1(2) . . . .
C17C C16C C25C C26C 137.1(17) . . . .
C17C C18C C19C C20C -4(2) . . . .
C17C C18C C19C C63C -149.9(14) . . . .
C17C C22C C23C C24C -8(3) . . . .
C17C C22C C23C C54C -150.5(16) . . . .
C18C C13C C14C C9C 139.0(14) . . . .
C18C C13C C14C C15C 4(2) . . . .
C18C C17C C22C C21C 5(2) . . . .
C18C C17C C22C C23C 154.6(15) . . . .
C18C C19C C20C C21C 16(2) . . . .
C18C C19C C20C C62C -138.3(14) . . . .
C18C C19C C63C C12C 0.9(17) . . . .
C18C C19C C63C C64C 142.3(15) . . . .
C19C C20C C21C C22C -17(2) . . . .
C19C C20C C21C C55C -156.2(15) . . . .
C19C C20C C62C C57C 153.1(15) . . . .
C19C C20C C62C C61C 3(2) . . . .
C19C C63C C64C C61C -1(2) . . . .
C19C C63C C64C C65C -138.8(15) . . . .
C20C C19C C63C C12C -143.9(16) . . . .
C20C C19C C63C C64C -3(2) . . . .
C20C C21C C22C C17C 7(2) . . . .
C20C C21C C22C C23C -145.7(16) . . . .
C20C C21C C55C C54C 144.2(15) . . . .
C20C C21C C55C C56C 3(2) . . . .
C21C C20C C62C C57C -2(2) . . . .
C21C C20C C62C C61C -152.0(14) . . . .
C21C C22C C23C C24C 142.4(16) . . . .
C21C C22C C23C C54C 0.2(19) . . . .
C21C C55C C56C C49C 138.4(16) . . . .
C21C C55C C56C C57C -1(2) . . . .
C22C C17C C18C C13C -152.9(15) . . . .
C22C C17C C18C C19C -6(2) . . . .
C22C C21C C55C C54C -0.4(16) . . . .
C22C C21C C55C C56C -141.7(15) . . . .
C22C C23C C24C C25C 3(2) . . . .
C22C C23C C24C C53C -135.1(17) . . . .
C22C C23C C54C C51C 140.5(16) . . . .
C22C C23C C54C C55C -0.5(17) . . . .
C23C C24C C25C C16C 2(2) . . . .
C23C C24C C25C C26C -143.3(14) . . . .
C23C C24C C53C C52C -1(2) . . . .
C23C C24C C53C C67C 139.3(15) . . . .
C23C C54C C55C C21C 0.5(16) . . . .
C23C C54C C55C C56C 140.2(15) . . . .
C24C C23C C54C C51C -4(2) . . . .
C24C C23C C54C C55C -145.4(15) . . . .
C24C C25C C26C C27C 149.8(13) . . . .
C24C C25C C26C C67C 0.5(17) . . . .
C24C C53C C67C C26C 0.9(15) . . . .
C24C C53C C67C C68C -144.7(13) . . . .
C25C C16C C17C C18C -149.8(15) . . . .
C25C C16C C17C C22C -4(2) . . . .
C25C C24C C53C C52C -141.3(14) . . . .
C25C C24C C53C C67C -0.6(15) . . . .
C25C C26C C27C C28C 6(2) . . . .
C25C C26C C27C C30C -138.6(15) . . . .
C25C C26C C67C C53C -0.9(17) . . . .
C25C C26C C67C C68C 141.7(18) . . . .
C26C C27C C28C C8C -155.3(15) . . . .
C26C C27C C28C C15C -6(2) . . . .
C26C C27C C30C C29C 149.1(14) . . . .
C26C C27C C30C C31C -5(2) . . . .
C26C C67C C68C C31C 1(3) . . . .
C26C C67C C68C C43C -133.6(18) . . . .
C27C C26C C67C C53C -150.3(13) . . . .
C27C C26C C67C C68C -8(2) . . . .
C27C C30C C31C C32C 142.4(14) . . . .
C27C C30C C31C C68C -1(2) . . . .
C28C C8C C9C C10C -140.4(15) . . . .
C28C C8C C9C C14C 2.4(18) . . . .
C28C C15C C16C C17C -137.8(16) . . . .
C28C C15C C16C C25C 16(2) . . . .
C28C C27C C30C C29C 5(2) . . . .
C28C C27C C30C C31C -149.7(16) . . . .
C29C C7C C8C C9C -134.8(17) . . . .
C29C C7C C8C C28C 1(2) . . . .
C29C C30C C31C C32C -11(2) . . . .
C29C C30C C31C C68C -154.7(15) . . . .
C30C C27C C28C C8C -11(2) . . . .
C30C C27C C28C C15C 138.7(16) . . . .
C30C C29C C34C C1C 148.7(14) . . . .
C30C C29C C34C C33C 0(2) . . . .
C30C C31C C32C C33C -2(2) . . . .
C30C C31C C32C C42C -145.2(15) . . . .
C30C C31C C68C C43C 144.1(15) . . . .
C30C C31C C68C C67C 4(2) . . . .
C31C C32C C33C C34C 14(2) . . . .
C31C C32C C33C C35C -134.4(16) . . . .
C31C C32C C42C C41C 143.4(16) . . . .
C31C C32C C42C C43C -2.3(16) . . . .
C32C C31C C68C C43C -1.3(17) . . . .
C32C C31C C68C C67C -141.9(16) . . . .
C32C C33C C34C C1C -154.8(15) . . . .
C32C C33C C34C C29C -13(2) . . . .
C32C C33C C35C C36C 148.0(14) . . . .
C32C C33C C35C C40C -1(2) . . . .
C32C C42C C43C C44C 145.6(14) . . . .
C32C C42C C43C C68C 1.6(17) . . . .
C33C C32C C42C C41C -3(2) . . . .
C33C C32C C42C C43C -148.7(14) . . . .
C33C C35C C36C C2C 5.2(19) . . . .
C33C C35C C36C C37C -138.0(16) . . . .
C33C C35C C40C C39C 138.4(16) . . . .
C33C C35C C40C C41C -5(2) . . . .
C34C C1C C2C C3C 140.2(15) . . . .
C34C C1C C2C C36C 3(2) . . . .
C34C C1C C6C C5C -141.8(16) . . . .
C34C C1C C6C C7C -1.7(17) . . . .
C34C C29C C30C C27C -142.3(15) . . . .
C34C C29C C30C C31C 12(2) . . . .
C34C C33C C35C C36C 0.7(19) . . . .
C34C C33C C35C C40C -148.3(15) . . . .
C35C C33C C34C C1C -5(2) . . . .
C35C C33C C34C C29C 136.8(15) . . . .
C35C C36C C37C C38C 1(2) . . . .
C35C C36C C37C C70C 145.3(14) . . . .
C35C C40C C41C C42C 7(3) . . . .
C35C C40C C41C C46C 149.8(14) . . . .
C36C C2C C3C C4C 142.3(16) . . . .
C36C C2C C3C C70C -2.1(17) . . . .
C36C C35C C40C C39C -14(2) . . . .
C36C C35C C40C C41C -156.8(14) . . . .
C36C C37C C38C C39C -14(2) . . . .
C36C C37C C38C C59C 137.1(14) . . . .
C36C C37C C70C C3C 0.6(18) . . . .
C36C C37C C70C C69C -141.6(14) . . . .
C37C C38C C39C C40C 14(2) . . . .
C37C C38C C39C C47C 158.2(14) . . . .
C37C C38C C59C C58C -153.5(14) . . . .
C37C C38C C59C C60C 0(2) . . . .
C38C C37C C70C C3C 143.0(15) . . . .
C38C C37C C70C C69C 1(2) . . . .
C38C C39C C40C C35C 1(3) . . . .
C38C C39C C40C C41C 146.3(16) . . . .
C38C C39C C47C C46C -146.0(15) . . . .
C38C C39C C47C C48C -5(2) . . . .
C38C C59C C60C C61C -139.3(15) . . . .
C38C C59C C60C C69C 2(2) . . . .
C39C C38C C59C C58C -3(2) . . . .
C39C C38C C59C C60C 150.5(14) . . . .
C39C C40C C41C C42C -140.5(19) . . . .
C39C C40C C41C C46C 2.2(18) . . . .
C39C C47C C48C C49C -137.6(16) . . . .
C39C C47C C48C C58C -2(2) . . . .
C40C C35C C36C C2C 156.3(13) . . . .
C40C C35C C36C C37C 13(2) . . . .
C40C C39C C47C C46C 2.6(19) . . . .
C40C C39C C47C C48C 144.1(15) . . . .
C40C C41C C42C C32C -3(3) . . . .
C40C C41C C42C C43C 135.5(18) . . . .
C40C C41C C46C C45C -143.8(15) . . . .
C40C C41C C46C C47C -0.6(17) . . . .
C41C C42C C43C C44C 3(2) . . . .
C41C C42C C43C C68C -140.9(17) . . . .
C41C C46C C47C C39C -1.3(18) . . . .
C41C C46C C47C C48C -141.0(15) . . . .
C42C C32C C33C C34C 152.9(14) . . . .
C42C C32C C33C C35C 5(2) . . . .
C42C C41C C46C C45C 3(2) . . . .
C42C C41C C46C C47C 146.4(16) . . . .
C42C C43C C44C C45C -2(2) . . . .
C42C C43C C44C C52C -138.4(15) . . . .
C42C C43C C68C C31C -0.2(18) . . . .
C42C C43C C68C C67C 138.8(15) . . . .
C43C C44C C45C C46C 2(2) . . . .
C43C C44C C45C C50C -139.9(16) . . . .
C43C C44C C52C C51C 141.6(15) . . . .
C43C C44C C52C C53C 0(2) . . . .
C44C C43C C68C C31C -142.7(15) . . . .
C44C C43C C68C C67C -4(2) . . . .
C44C C45C C46C C41C -2(2) . . . .
C44C C45C C46C C47C -140.6(15) . . . .
C44C C45C C50C C49C 141.3(17) . . . .
C44C C45C C50C C51C -0.8(19) . . . .
C44C C52C C53C C24C 137.8(15) . . . .
C44C C52C C53C C67C 1(2) . . . .
C45C C44C C52C C51C -0.6(17) . . . .
C45C C44C C52C C53C -142.5(16) . . . .
C45C C46C C47C C39C 142.6(15) . . . .
C45C C46C C47C C48C 3(2) . . . .
C45C C50C C51C C52C 0.5(19) . . . .
C45C C50C C51C C54C 144.6(16) . . . .
C46C C41C C42C C32C -142.2(15) . . . .
C46C C41C C42C C43C -4(2) . . . .
C46C C45C C50C C49C 1(3) . . . .
C46C C45C C50C C51C -141.0(16) . . . .
C46C C47C C48C C49C -1(2) . . . .
C46C C47C C48C C58C 135.1(17) . . . .
C47C C39C C40C C35C -148.3(15) . . . .
C47C C39C C40C C41C -3.0(19) . . . .
C47C C48C C49C C50C -1(3) . . . .
C47C C48C C49C C56C 143.5(16) . . . .
C47C C48C C58C C57C -141.6(16) . . . .
C47C C48C C58C C59C 6(2) . . . .
C48C C49C C50C C45C 1(3) . . . .
C48C C49C C50C C51C 137.4(18) . . . .
C48C C49C C56C C55C -144.8(16) . . . .
C48C C49C C56C C57C -1(2) . . . .
C48C C58C C59C C38C -3(2) . . . .
C48C C58C C59C C60C -157.5(15) . . . .
C49C C48C C58C C57C -2.1(18) . . . .
C49C C48C C58C C59C 145.5(16) . . . .
C49C C50C C51C C52C -141.2(17) . . . .
C49C C50C C51C C54C 3(3) . . . .
C49C C56C C57C C58C -0.1(19) . . . .
C49C C56C C57C C62C -145.1(17) . . . .
C50C C45C C46C C41C 135.2(17) . . . .
C50C C45C C46C C47C -3(2) . . . .
C50C C49C C56C C55C 0(3) . . . .
C50C C49C C56C C57C 144.0(17) . . . .
C50C C51C C52C C44C 0.1(18) . . . .
C50C C51C C52C C53C 143.0(15) . . . .
C50C C51C C54C C23C -137.7(17) . . . .
C50C C51C C54C C55C 0(2) . . . .
C51C C52C C53C C24C 0(2) . . . .
C51C C52C C53C C67C -136.0(15) . . . .
C51C C54C C55C C21C -141.8(15) . . . .
C51C C54C C55C C56C -2(2) . . . .
C52C C44C C45C C46C 142.5(14) . . . .
C52C C44C C45C C50C 0.9(18) . . . .
C52C C51C C54C C23C 4(2) . . . .
C52C C51C C54C C55C 141.0(16) . . . .
C52C C53C C67C C26C 142.0(14) . . . .
C52C C53C C67C C68C -4(2) . . . .
C53C C24C C25C C16C 145.1(15) . . . .
C53C C24C C25C C26C 0.1(15) . . . .
C53C C67C C68C C31C 139.3(16) . . . .
C53C C67C C68C C43C 5(2) . . . .
C54C C23C C24C C25C 141.2(14) . . . .
C54C C23C C24C C53C 3(2) . . . .
C54C C51C C52C C44C -144.5(15) . . . .
C54C C51C C52C C53C -2(2) . . . .
C54C C55C C56C C49C 2(2) . . . .
C54C C55C C56C C57C -137.3(17) . . . .
C55C C21C C22C C17C 152.4(14) . . . .
C55C C21C C22C C23C 0.1(18) . . . .
C55C C56C C57C C58C 142.7(15) . . . .
C55C C56C C57C C62C -2(3) . . . .
C56C C49C C50C C45C -139.1(18) . . . .
C56C C49C C50C C51C -3(3) . . . .
C56C C57C C58C C48C 1.4(18) . . . .
C56C C57C C58C C59C -146.4(14) . . . .
C56C C57C C62C C20C 4(2) . . . .
C56C C57C C62C C61C 153.6(16) . . . .
C57C C58C C59C C38C 140.4(16) . . . .
C57C C58C C59C C60C -14(2) . . . .
C58C C48C C49C C50C -143.0(18) . . . .
C58C C48C C49C C56C 2(2) . . . .
C58C C57C C62C C20C -137.4(15) . . . .
C58C C57C C62C C61C 12(2) . . . .
C58C C59C C60C C61C 14(2) . . . .
C58C C59C C60C C69C 156.0(14) . . . .
C59C C38C C39C C40C -137.4(16) . . . .
C59C C38C C39C C47C 7(2) . . . .
C59C C60C C61C C62C -2(2) . . . .
C59C C60C C61C C64C 148.5(14) . . . .
C59C C60C C69C C65C -144.7(15) . . . .
C59C C60C C69C C70C -3(2) . . . .
C60C C61C C62C C20C 137.6(16) . . . .
C60C C61C C62C C57C -12(2) . . . .
C60C C61C C64C C63C -144.5(16) . . . .
C60C C61C C64C C65C -4.1(19) . . . .
C60C C69C C70C C3C -139.0(15) . . . .
C60C C69C C70C C37C 1(2) . . . .
C61C C60C C69C C65C -0.1(19) . . . .
C61C C60C C69C C70C 141.6(15) . . . .
C61C C64C C65C C66C -140.7(16) . . . .
C61C C64C C65C C69C 4.1(19) . . . .
C62C C20C C21C C22C 137.5(16) . . . .
C62C C20C C21C C55C -1(2) . . . .
C62C C57C C58C C48C 148.4(15) . . . .
C62C C57C C58C C59C 1(2) . . . .
C62C C61C C64C C63C 6(2) . . . .
C62C C61C C64C C65C 145.9(16) . . . .
C63C C12C C13C C14C 143.8(15) . . . .
C63C C12C C13C C18C 1.2(17) . . . .
C63C C19C C20C C21C 155.8(15) . . . .
C63C C19C C20C C62C 1(2) . . . .
C63C C64C C65C C66C 0(2) . . . .
C63C C64C C65C C69C 144.9(14) . . . .
C64C C61C C62C C20C -7(2) . . . .
C64C C61C C62C C57C -156.4(15) . . . .
C64C C65C C66C C4C 138.0(16) . . . .
C64C C65C C66C C11C 1(2) . . . .
C64C C65C C69C C60C -2.4(18) . . . .
C64C C65C C69C C70C -142.8(15) . . . .
C65C C69C C70C C3C -2(2) . . . .
C65C C69C C70C C37C 138.6(16) . . . .
C66C C4C C5C C6C 143.0(15) . . . .
C66C C4C C5C C10C 1.5(17) . . . .
C66C C11C C12C C13C 136.3(18) . . . .
C66C C11C C12C C63C -2(3) . . . .
C66C C65C C69C C60C 144.2(16) . . . .
C66C C65C C69C C70C 4(2) . . . .
C67C C26C C27C C28C 153.9(15) . . . .
C67C C26C C27C C30C 9(2) . . . .
C68C C31C C32C C33C 145.4(15) . . . .
C68C C31C C32C C42C 2.3(17) . . . .
C68C C43C C44C C45C 137.9(17) . . . .
C68C C43C C44C C52C 1(2) . . . .
C69C C60C C61C C62C -147.6(15) . . . .
C69C C60C C61C C64C 2.5(18) . . . .
C69C C65C C66C C4C -2(2) . . . .
C69C C65C C66C C11C -139.5(16) . . . .
C70C C3C C4C C5C 137.7(17) . . . .
C70C C3C C4C C66C 3(2) . . . .
C70C C37C C38C C39C -152.9(15) . . . .
C70C C37C C38C C59C -2(2) . . . .

_cod_database_fobs_code 4517254
