#------------------------------------------------------------------------------
#$Date: 2025-03-04 22:01:45 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298236 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/73/7717341.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_7717341
loop_
_publ_author_name
'Fener, Benjamin E.'
'Schüler, Philipp'
'Liebing, Phil'
'Görls, Helmar'
'Westerhausen, Matthias'
_publ_section_title
;
 Syntheses and structures of dimesitylphosphinite complexes of alkali
 metals and their catalytic activity in hydrophosphorylation reactions.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              181
_journal_page_last               197
_journal_paper_doi               10.1039/d4dt02721c
_journal_volume                  54
_journal_year                    2024
_chemical_formula_moiety         '0.5(C144 H176 K8 O8 P8) [+ solvent]'
_chemical_formula_sum            'C72 H88 K4 O4 P4'
_chemical_formula_weight         1297.70
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-02-02
_audit_creation_method
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6725)
;
_audit_update_record
;
2024-10-18 deposited with the CCDC.	2024-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                115.909(2)
_cell_angle_beta                 100.464(3)
_cell_angle_gamma                94.920(3)
_cell_formula_units_Z            4
_cell_length_a                   15.6316(15)
_cell_length_b                   22.909(2)
_cell_length_c                   24.137(2)
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    120
_cell_measurement_theta_max      33.16
_cell_measurement_theta_min      2.41
_cell_volume                     7511.1(12)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.916
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            146979
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.916
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.572
_diffrn_reflns_theta_min         1.654
_diffrn_source_current           0.6
_diffrn_source_power             0.03
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.365
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_correction_T_min  0.7144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0752 before and 0.0420 after correction.
The Ratio of minimum to maximum transmission is 0.9569.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_description       prism
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1561
_refine_ls_number_reflns         54325
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0479
_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)+(0.0662P)²+3.0186P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1199
_refine_ls_wR_factor_ref         0.1396
_reflns_Friedel_coverage         0.000
_reflns_number_gt                37345
_reflns_number_total             54325
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02721c2.cif
_cod_data_source_block           bn00021_0m
_cod_depositor_comments
'Adding full bibliography for 7717331--7717346.cif.'
_cod_database_code               7717341
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.961
_shelx_estimated_absorpt_t_min   0.927
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C14(H14), C21(H21), C23(H23), C30(H30), C32(H32),
 C39(H39), C41(H41), C48(H48), C50(H50), C57(H57), C59(H59), C66(H66), C68(H68),
  C75(H75), C77(H77), C84(H84), C86(H86), C93(H93), C95(H95), C102(H102),
 C104(H104), C111(H111), C113(H113), C120(H120), C122(H122), C129(H129),
 C131(H131), C138(H138), C140(H140)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C27(H27A,H27B,H27C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C),
 C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C61(H61A,H61B,
 H61C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C70(H70A,H70B,H70C), C71(H71A,
 H71B,H71C), C72(H72A,H72B,H72C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C),
 C81(H81A,H81B,H81C), C88(H88A,H88B,H88C), C89(H89A,H89B,H89C), C90(H90A,H90B,
 H90C), C97(H97A,H97B,H97C), C98(H98A,H98B,H98C), C99(H99A,H99B,H99C),
 C106(H10A,H10B,H10C), C107(H10D,H10E,H10F), C108(H10G,H10H,H10I), C115(H11A,
 H11B,H11C), C116(H11D,H11E,H11F), C117(H11G,H11H,H11I), C124(H12A,H12B,H12C),
 C125(H12D,H12E,H12F), C126(H12G,H12H,H12I), C133(H13A,H13B,H13C), C134(H13D,
 H13E,H13F), C135(H13G,H13H,H13I), C142(H14A,H14B,H14C), C143(H14D,H14E,H14F),
 C144(H14G,H14H,H14I)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_date_sample_data_collection 2021-09-30
_olex2_date_sample_submission    2021-09-30
_olex2_submission_original_sample_id BF-524
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
K1 K 0.56882(2) 0.26964(2) 0.67032(2) 0.02525(7) Uani 1 1 d . . . . .
K2 K 0.78609(2) 0.39314(2) 0.73433(2) 0.02574(7) Uani 1 1 d . . . . .
K3 K 0.55480(2) 0.44879(2) 0.75433(2) 0.02624(7) Uani 1 1 d . . . . .
K4 K 0.61673(2) 0.38817(2) 0.59193(2) 0.02506(7) Uani 1 1 d . . . . .
K5 K 0.82154(2) 0.20075(2) 0.85694(2) 0.02136(6) Uani 1 1 d . . . . .
K6 K 0.88956(2) 0.10863(2) 0.69913(2) 0.02322(7) Uani 1 1 d . . . . .
K7 K 0.83426(2) 0.00754(2) 0.77632(2) 0.02143(6) Uani 1 1 d . . . . .
K8 K 1.04379(2) 0.14585(2) 0.85959(2) 0.02220(7) Uani 1 1 d . . . . .
P1 P 0.70804(3) 0.40949(2) 0.85244(2) 0.02132(8) Uani 1 1 d . . . . .
P2 P 0.66001(3) 0.23401(2) 0.55888(2) 0.02125(8) Uani 1 1 d . . . . .
P3 P 0.39510(3) 0.31496(2) 0.62260(2) 0.02540(9) Uani 1 1 d . . . . .
P4 P 0.77216(3) 0.52596(2) 0.71861(2) 0.02905(9) Uani 1 1 d . . . . .
P5 P 0.65874(3) 0.09188(2) 0.75744(2) 0.01970(7) Uani 1 1 d . . . . .
P6 P 1.01711(3) 0.24643(2) 0.78128(2) 0.02018(8) Uani 1 1 d . . . . .
P7 P 0.90188(3) 0.15613(2) 0.96109(2) 0.02101(8) Uani 1 1 d . . . . .
P8 P 0.99582(3) -0.01463(2) 0.68343(2) 0.02057(8) Uani 1 1 d . . . . .
O1 O 0.64773(8) 0.36940(5) 0.78316(5) 0.0239(2) Uani 1 1 d . . . . .
O2 O 0.69892(8) 0.30143(5) 0.62019(5) 0.0239(2) Uani 1 1 d . . . . .
O3 O 0.48420(8) 0.36034(6) 0.63387(6) 0.0270(2) Uani 1 1 d . . . . .
O4 O 0.68461(9) 0.47918(6) 0.70713(6) 0.0299(3) Uani 1 1 d . . . . .
O5 O 0.75248(7) 0.08908(6) 0.74267(5) 0.0214(2) Uani 1 1 d . . . . .
O6 O 0.96371(7) 0.21952(6) 0.81711(6) 0.0228(2) Uani 1 1 d . . . . .
O7 O 0.88963(7) 0.10954(5) 0.88864(5) 0.0212(2) Uani 1 1 d . . . . .
O8 O 0.98678(7) 0.04164(5) 0.74812(5) 0.0228(2) Uani 1 1 d . . . . .
C1 C 0.69996(10) 0.36352(8) 0.89875(7) 0.0220(3) Uani 1 1 d . . . . .
C2 C 0.65711(11) 0.29730(8) 0.87377(8) 0.0241(3) Uani 1 1 d . . . . .
C3 C 0.66074(12) 0.26687(9) 0.91294(9) 0.0287(3) Uani 1 1 d . . . . .
H3 H 0.630254 0.222672 0.895707 0.034 Uiso 1 1 calc R U . . .
C4 C 0.70749(13) 0.29902(10) 0.97638(9) 0.0327(4) Uani 1 1 d . . . . .
C5 C 0.75227(12) 0.36323(10) 0.99999(9) 0.0326(4) Uani 1 1 d . . . . .
H5 H 0.785664 0.385760 1.042918 0.039 Uiso 1 1 calc R U . . .
C6 C 0.74981(11) 0.39584(9) 0.96261(8) 0.0260(3) Uani 1 1 d . . . . .
C7 C 0.60406(12) 0.25710(8) 0.80587(8) 0.0283(3) Uani 1 1 d . . . . .
H7A H 0.643963 0.248193 0.777328 0.043 Uiso 1 1 calc R U . . .
H7B H 0.560864 0.281793 0.795829 0.043 Uiso 1 1 calc R U . . .
H7C H 0.572902 0.215219 0.800363 0.043 Uiso 1 1 calc R U . . .
C8 C 0.70797(17) 0.26489(13) 1.01777(11) 0.0473(5) Uani 1 1 d . . . . .
H8A H 0.741700 0.229112 1.003892 0.071 Uiso 1 1 calc R U . . .
H8B H 0.647000 0.246611 1.014121 0.071 Uiso 1 1 calc R U . . .
H8C H 0.735536 0.296855 1.062099 0.071 Uiso 1 1 calc R U . . .
C9 C 0.79990(12) 0.46562(9) 0.99211(8) 0.0320(4) Uani 1 1 d . . . . .
H9A H 0.833498 0.470296 0.963262 0.048 Uiso 1 1 calc R U . . .
H9B H 0.840771 0.475886 1.032466 0.048 Uiso 1 1 calc R U . . .
H9C H 0.758050 0.496145 0.999812 0.048 Uiso 1 1 calc R U . . .
C10 C 0.64749(10) 0.47795(8) 0.89106(7) 0.0228(3) Uani 1 1 d . . . . .
C11 C 0.56653(11) 0.47063(8) 0.90812(8) 0.0251(3) Uani 1 1 d . . . . .
C12 C 0.52033(12) 0.52267(9) 0.92574(9) 0.0318(4) Uani 1 1 d . . . . .
H12 H 0.466803 0.517325 0.937828 0.038 Uiso 1 1 calc R U . . .
C13 C 0.54924(12) 0.58195(9) 0.92638(10) 0.0355(4) Uani 1 1 d . . . . .
C14 C 0.63025(13) 0.58968(9) 0.91201(9) 0.0331(4) Uani 1 1 d . . . . .
H14 H 0.652587 0.630491 0.913730 0.040 Uiso 1 1 calc R U . . .
C15 C 0.67989(11) 0.53958(8) 0.89516(8) 0.0261(3) Uani 1 1 d . . . . .
C16 C 0.52617(12) 0.40829(9) 0.90771(10) 0.0324(4) Uani 1 1 d . . . . .
H16A H 0.468225 0.412766 0.917576 0.049 Uiso 1 1 calc R U . . .
H16B H 0.565096 0.400699 0.939668 0.049 Uiso 1 1 calc R U . . .
H16C H 0.518914 0.370854 0.865631 0.049 Uiso 1 1 calc R U . . .
C17 C 0.49341(16) 0.63482(11) 0.94080(14) 0.0542(6) Uani 1 1 d . . . . .
H17A H 0.444894 0.622643 0.903471 0.081 Uiso 1 1 calc R U . . .
H17B H 0.530095 0.676962 0.951535 0.081 Uiso 1 1 calc R U . . .
H17C H 0.468940 0.639231 0.976755 0.081 Uiso 1 1 calc R U . . .
C18 C 0.76767(13) 0.55375(9) 0.88079(9) 0.0335(4) Uani 1 1 d . . . . .
H18A H 0.766477 0.522367 0.837013 0.050 Uiso 1 1 calc R U . . .
H18B H 0.815659 0.549154 0.910116 0.050 Uiso 1 1 calc R U . . .
H18C H 0.777567 0.598859 0.885970 0.050 Uiso 1 1 calc R U . . .
C19 C 0.74436(12) 0.18137(8) 0.54037(8) 0.0266(3) Uani 1 1 d . . . . .
C20 C 0.82655(13) 0.19277(10) 0.58215(10) 0.0354(4) Uani 1 1 d . . . . .
C21 C 0.87707(15) 0.14302(13) 0.56849(12) 0.0453(5) Uani 1 1 d . . . . .
H21 H 0.932616 0.151266 0.596908 0.054 Uiso 1 1 calc R U . . .
C22 C 0.84933(18) 0.08244(13) 0.51533(14) 0.0524(6) Uani 1 1 d . . . . .
C23 C 0.76844(18) 0.07122(11) 0.47455(12) 0.0479(6) Uani 1 1 d . . . . .
H23 H 0.748634 0.029893 0.437439 0.058 Uiso 1 1 calc R U . . .
C24 C 0.71514(14) 0.11884(9) 0.48633(9) 0.0337(4) Uani 1 1 d . . . . .
C25 C 0.86246(16) 0.25539(13) 0.64273(13) 0.0605(7) Uani 1 1 d . . . . .
H25A H 0.818212 0.264824 0.667980 0.091 Uiso 1 1 calc R U . . .
H25B H 0.876246 0.291874 0.632964 0.091 Uiso 1 1 calc R U . . .
H25C H 0.916447 0.250442 0.666892 0.091 Uiso 1 1 calc R U . . .
C26 C 0.9061(2) 0.02970(17) 0.50193(19) 0.0835(11) Uani 1 1 d . . . . .
H26A H 0.918936 0.017176 0.460368 0.125 Uiso 1 1 calc R U . . .
H26B H 0.874343 -0.009123 0.501865 0.125 Uiso 1 1 calc R U . . .
H26C H 0.961734 0.046969 0.534898 0.125 Uiso 1 1 calc R U . . .
C27 C 0.62570(16) 0.10106(10) 0.44121(10) 0.0418(5) Uani 1 1 d . . . . .
H27A H 0.579405 0.104977 0.464430 0.063 Uiso 1 1 calc R U . . .
H27B H 0.617133 0.055538 0.407639 0.063 Uiso 1 1 calc R U . . .
H27C H 0.622367 0.131110 0.422205 0.063 Uiso 1 1 calc R U . . .
C28 C 0.64385(11) 0.25877(8) 0.49391(7) 0.0230(3) Uani 1 1 d . . . . .
C29 C 0.55556(12) 0.25537(8) 0.46437(8) 0.0267(3) Uani 1 1 d . . . . .
C30 C 0.53855(13) 0.28450(9) 0.42403(9) 0.0340(4) Uani 1 1 d . . . . .
H30 H 0.478901 0.281747 0.404286 0.041 Uiso 1 1 calc R U . . .
C31 C 0.60564(15) 0.31697(10) 0.41216(10) 0.0389(4) Uani 1 1 d . . . . .
C32 C 0.69238(14) 0.31905(10) 0.44043(9) 0.0355(4) Uani 1 1 d . . . . .
H32 H 0.739416 0.340222 0.431774 0.043 Uiso 1 1 calc R U . . .
C33 C 0.71266(12) 0.29112(8) 0.48104(8) 0.0271(3) Uani 1 1 d . . . . .
C34 C 0.47713(12) 0.22369(9) 0.47639(9) 0.0316(4) Uani 1 1 d . . . . .
H34A H 0.477330 0.247415 0.521455 0.047 Uiso 1 1 calc R U . . .
H34B H 0.480775 0.177492 0.464958 0.047 Uiso 1 1 calc R U . . .
H34C H 0.422320 0.225581 0.450567 0.047 Uiso 1 1 calc R U . . .
C35 C 0.5846(2) 0.35015(14) 0.37030(13) 0.0600(7) Uani 1 1 d . . . . .
H35A H 0.592255 0.397924 0.396962 0.090 Uiso 1 1 calc R U . . .
H35B H 0.523243 0.332766 0.345008 0.090 Uiso 1 1 calc R U . . .
H35C H 0.624688 0.341196 0.341890 0.090 Uiso 1 1 calc R U . . .
C36 C 0.80853(12) 0.29872(10) 0.51161(10) 0.0335(4) Uani 1 1 d . . . . .
H36A H 0.823595 0.254984 0.500587 0.050 Uiso 1 1 calc R U . . .
H36B H 0.818795 0.323934 0.557846 0.050 Uiso 1 1 calc R U . . .
H36C H 0.845687 0.322200 0.496328 0.050 Uiso 1 1 calc R U . . .
C37 C 0.35947(11) 0.35943(9) 0.69797(9) 0.0309(4) Uani 1 1 d . . . . .
C38 C 0.35317(11) 0.32720(10) 0.73600(9) 0.0335(4) Uani 1 1 d . . . . .
C39 C 0.33047(12) 0.35963(11) 0.79388(10) 0.0396(5) Uani 1 1 d . . . . .
H39 H 0.326187 0.337488 0.818882 0.048 Uiso 1 1 calc R U . . .
C40 C 0.31414(12) 0.42311(12) 0.81557(10) 0.0417(5) Uani 1 1 d . . . . .
C41 C 0.32308(13) 0.45536(11) 0.77971(10) 0.0429(5) Uani 1 1 d . . . . .
H41 H 0.314150 0.499707 0.795294 0.051 Uiso 1 1 calc R U . . .
C42 C 0.34496(12) 0.42478(10) 0.72089(9) 0.0357(4) Uani 1 1 d . . . . .
C43 C 0.36614(14) 0.25716(11) 0.71646(10) 0.0388(4) Uani 1 1 d . . . . .
H43A H 0.395092 0.242874 0.681144 0.058 Uiso 1 1 calc R U . . .
H43B H 0.308474 0.228230 0.703018 0.058 Uiso 1 1 calc R U . . .
H43C H 0.403291 0.254792 0.752512 0.058 Uiso 1 1 calc R U . . .
C44 C 0.28399(15) 0.45541(14) 0.87685(11) 0.0564(7) Uani 1 1 d . . . . .
H44A H 0.295265 0.503462 0.893238 0.085 Uiso 1 1 calc R U . . .
H44B H 0.316805 0.444126 0.908342 0.085 Uiso 1 1 calc R U . . .
H44C H 0.220478 0.439435 0.868452 0.085 Uiso 1 1 calc R U . . .
C45 C 0.35183(16) 0.46357(10) 0.68472(11) 0.0452(5) Uani 1 1 d . . . . .
H45A H 0.403527 0.455886 0.666615 0.068 Uiso 1 1 calc R U . . .
H45B H 0.358276 0.510733 0.713520 0.068 Uiso 1 1 calc R U . . .
H45C H 0.298156 0.449375 0.650428 0.068 Uiso 1 1 calc R U . . .
C46 C 0.30283(12) 0.32223(9) 0.56671(9) 0.0299(4) Uani 1 1 d . . . . .
C47 C 0.31124(13) 0.35366(9) 0.52871(10) 0.0358(4) Uani 1 1 d . . . . .
C48 C 0.23586(16) 0.35391(11) 0.48800(11) 0.0469(5) Uani 1 1 d . . . . .
H48 H 0.242324 0.375505 0.462773 0.056 Uiso 1 1 calc R U . . .
C49 C 0.15191(16) 0.32402(12) 0.48274(12) 0.0538(6) Uani 1 1 d . . . . .
C50 C 0.14440(14) 0.29094(11) 0.51813(11) 0.0464(5) Uani 1 1 d . . . . .
H50 H 0.087493 0.269362 0.514557 0.056 Uiso 1 1 calc R U . . .
C51 C 0.21735(12) 0.28821(9) 0.55878(9) 0.0345(4) Uani 1 1 d . . . . .
C52 C 0.39869(15) 0.38665(11) 0.52825(11) 0.0419(5) Uani 1 1 d . . . . .
H52A H 0.440607 0.356233 0.522169 0.063 Uiso 1 1 calc R U . . .
H52B H 0.422253 0.426642 0.568799 0.063 Uiso 1 1 calc R U . . .
H52C H 0.390020 0.398514 0.493493 0.063 Uiso 1 1 calc R U . . .
C53 C 0.0727(2) 0.32503(17) 0.43734(17) 0.0828(11) Uani 1 1 d . . . . .
H53A H 0.087733 0.359741 0.425489 0.124 Uiso 1 1 calc R U . . .
H53B H 0.023312 0.333867 0.457811 0.124 Uiso 1 1 calc R U . . .
H53C H 0.055675 0.282122 0.399173 0.124 Uiso 1 1 calc R U . . .
C54 C 0.20271(13) 0.24735(11) 0.59204(10) 0.0397(5) Uani 1 1 d . . . . .
H54A H 0.207043 0.276578 0.636984 0.060 Uiso 1 1 calc R U . . .
H54B H 0.247767 0.219539 0.588444 0.060 Uiso 1 1 calc R U . . .
H54C H 0.143760 0.219289 0.572382 0.060 Uiso 1 1 calc R U . . .
C55 C 0.78498(14) 0.50932(9) 0.63715(9) 0.0340(4) Uani 1 1 d . . . . .
C56 C 0.72210(15) 0.51746(9) 0.59235(9) 0.0362(4) Uani 1 1 d . . . . .
C57 C 0.73684(17) 0.50362(10) 0.53317(10) 0.0445(5) Uani 1 1 d . . . . .
H57 H 0.692486 0.507431 0.502952 0.053 Uiso 1 1 calc R U . . .
C58 C 0.81435(18) 0.48439(11) 0.51668(11) 0.0483(6) Uani 1 1 d . . . . .
C59 C 0.87480(17) 0.47498(11) 0.56001(12) 0.0479(5) Uani 1 1 d . . . . .
H59 H 0.927599 0.460889 0.549297 0.058 Uiso 1 1 calc R U . . .
C60 C 0.86124(15) 0.48542(10) 0.61911(10) 0.0403(5) Uani 1 1 d . . . . .
C61 C 0.63827(15) 0.54201(10) 0.60630(10) 0.0407(5) Uani 1 1 d . . . . .
H61A H 0.613880 0.522247 0.630173 0.061 Uiso 1 1 calc R U . . .
H61B H 0.594995 0.529551 0.566293 0.061 Uiso 1 1 calc R U . . .
H61C H 0.651384 0.590213 0.631529 0.061 Uiso 1 1 calc R U . . .
C62 C 0.8321(2) 0.47494(14) 0.45369(13) 0.0673(8) Uani 1 1 d . . . . .
H62A H 0.778030 0.451256 0.419745 0.101 Uiso 1 1 calc R U . . .
H62B H 0.879350 0.449301 0.444615 0.101 Uiso 1 1 calc R U . . .
H62C H 0.850202 0.518173 0.456091 0.101 Uiso 1 1 calc R U . . .
C63 C 0.93015(17) 0.46961(13) 0.66001(13) 0.0527(6) Uani 1 1 d . . . . .
H63A H 0.904453 0.431427 0.663905 0.079 Uiso 1 1 calc R U . . .
H63B H 0.950596 0.507749 0.702256 0.079 Uiso 1 1 calc R U . . .
H63C H 0.980336 0.459328 0.640550 0.079 Uiso 1 1 calc R U . . .
C64 C 0.75571(14) 0.61368(9) 0.75079(9) 0.0326(4) Uani 1 1 d . . . . .
C65 C 0.68038(15) 0.63745(9) 0.76909(9) 0.0357(4) Uani 1 1 d . . . . .
C66 C 0.68399(17) 0.70585(10) 0.80225(10) 0.0415(5) Uani 1 1 d . . . . .
H66 H 0.632575 0.721403 0.814407 0.050 Uiso 1 1 calc R U . . .
C67 C 0.75964(18) 0.75141(10) 0.81785(9) 0.0448(5) Uani 1 1 d . . . . .
C68 C 0.83302(16) 0.72789(10) 0.79994(10) 0.0434(5) Uani 1 1 d . . . . .
H68 H 0.885516 0.758633 0.810503 0.052 Uiso 1 1 calc R U . . .
C69 C 0.83374(15) 0.66069(9) 0.76686(9) 0.0370(4) Uani 1 1 d . . . . .
C70 C 0.59226(16) 0.59456(10) 0.75517(12) 0.0442(5) Uani 1 1 d . . . . .
H70A H 0.592620 0.548904 0.725051 0.066 Uiso 1 1 calc R U . . .
H70B H 0.544776 0.610842 0.736754 0.066 Uiso 1 1 calc R U . . .
H70C H 0.582292 0.596124 0.794688 0.066 Uiso 1 1 calc R U . . .
C71 C 0.7608(2) 0.82482(10) 0.85195(11) 0.0581(7) Uani 1 1 d . . . . .
H71A H 0.817182 0.847013 0.883736 0.087 Uiso 1 1 calc R U . . .
H71B H 0.711909 0.832750 0.873036 0.087 Uiso 1 1 calc R U . . .
H71C H 0.754073 0.842269 0.821194 0.087 Uiso 1 1 calc R U . . .
C72 C 0.91772(15) 0.64052(11) 0.74908(12) 0.0479(5) Uani 1 1 d . . . . .
H72A H 0.934062 0.608162 0.763470 0.072 Uiso 1 1 calc R U . . .
H72B H 0.965293 0.679441 0.769334 0.072 Uiso 1 1 calc R U . . .
H72C H 0.908602 0.620784 0.702847 0.072 Uiso 1 1 calc R U . . .
C73 C 0.57446(10) 0.08542(8) 0.68831(8) 0.0225(3) Uani 1 1 d . . . . .
C74 C 0.59451(12) 0.09271(9) 0.63671(9) 0.0292(3) Uani 1 1 d . . . . .
C75 C 0.52722(13) 0.09663(10) 0.59220(10) 0.0351(4) Uani 1 1 d . . . . .
H75 H 0.541971 0.101037 0.557551 0.042 Uiso 1 1 calc R U . . .
C76 C 0.44001(13) 0.09434(9) 0.59659(10) 0.0354(4) Uani 1 1 d . . . . .
C77 C 0.42102(11) 0.08821(9) 0.64768(9) 0.0319(4) Uani 1 1 d . . . . .
H77 H 0.361802 0.087132 0.652066 0.038 Uiso 1 1 calc R U . . .
C78 C 0.48554(10) 0.08353(8) 0.69328(8) 0.0252(3) Uani 1 1 d . . . . .
C79 C 0.68640(13) 0.09700(12) 0.62565(10) 0.0414(5) Uani 1 1 d . . . . .
H79A H 0.710769 0.058693 0.624820 0.062 Uiso 1 1 calc R U . . .
H79B H 0.724590 0.137609 0.660006 0.062 Uiso 1 1 calc R U . . .
H79C H 0.683438 0.097471 0.584945 0.062 Uiso 1 1 calc R U . . .
C80 C 0.36884(16) 0.09761(13) 0.54691(12) 0.0517(6) Uani 1 1 d . . . . .
H80A H 0.383574 0.139198 0.545283 0.078 Uiso 1 1 calc R U . . .
H80B H 0.311745 0.095376 0.557937 0.078 Uiso 1 1 calc R U . . .
H80C H 0.365104 0.060388 0.505318 0.078 Uiso 1 1 calc R U . . .
C81 C 0.45723(11) 0.07692(10) 0.74675(10) 0.0329(4) Uani 1 1 d . . . . .
H81A H 0.458088 0.031912 0.741002 0.049 Uiso 1 1 calc R U . . .
H81B H 0.397136 0.086013 0.746973 0.049 Uiso 1 1 calc R U . . .
H81C H 0.497986 0.108503 0.787207 0.049 Uiso 1 1 calc R U . . .
C82 C 0.62343(10) 0.01071(8) 0.75540(7) 0.0203(3) Uani 1 1 d . . . . .
C83 C 0.60601(11) 0.01009(8) 0.81042(8) 0.0254(3) Uani 1 1 d . . . . .
C84 C 0.58021(11) -0.05017(9) 0.80978(9) 0.0286(3) Uani 1 1 d . . . . .
H84 H 0.567056 -0.049989 0.846758 0.034 Uiso 1 1 calc R U . . .
C85 C 0.57319(11) -0.11015(9) 0.75698(9) 0.0279(3) Uani 1 1 d . . . . .
C86 C 0.59370(11) -0.10917(8) 0.70377(8) 0.0263(3) Uani 1 1 d . . . . .
H86 H 0.591302 -0.149868 0.667653 0.032 Uiso 1 1 calc R U . . .
C87 C 0.61769(10) -0.05026(8) 0.70173(8) 0.0215(3) Uani 1 1 d . . . . .
C88 C 0.61485(15) 0.07219(10) 0.87192(9) 0.0368(4) Uani 1 1 d . . . . .
H88A H 0.562126 0.091962 0.868973 0.055 Uiso 1 1 calc R U . . .
H88B H 0.667468 0.103725 0.879456 0.055 Uiso 1 1 calc R U . . .
H88C H 0.620677 0.061070 0.907127 0.055 Uiso 1 1 calc R U . . .
C89 C 0.54203(14) -0.17465(10) 0.75656(11) 0.0387(4) Uani 1 1 d . . . . .
H89A H 0.535805 -0.166019 0.799003 0.058 Uiso 1 1 calc R U . . .
H89B H 0.585384 -0.203493 0.744590 0.058 Uiso 1 1 calc R U . . .
H89C H 0.484687 -0.196282 0.725826 0.058 Uiso 1 1 calc R U . . .
C90 C 0.63642(12) -0.05355(8) 0.64142(8) 0.0273(3) Uani 1 1 d . . . . .
H90A H 0.688617 -0.020261 0.651969 0.041 Uiso 1 1 calc R U . . .
H90B H 0.585251 -0.044962 0.617898 0.041 Uiso 1 1 calc R U . . .
H90C H 0.647556 -0.097573 0.615186 0.041 Uiso 1 1 calc R U . . .
C91 C 1.01554(10) 0.33564(8) 0.80774(8) 0.0224(3) Uani 1 1 d . . . . .
C92 C 0.97228(11) 0.37553(8) 0.85318(9) 0.0267(3) Uani 1 1 d . . . . .
C93 C 0.97007(11) 0.44043(9) 0.86394(9) 0.0305(4) Uani 1 1 d . . . . .
H93 H 0.940623 0.466622 0.894598 0.037 Uiso 1 1 calc R U . . .
C94 C 1.00920(11) 0.46810(9) 0.83158(9) 0.0306(4) Uani 1 1 d . . . . .
C95 C 1.04954(11) 0.42834(9) 0.78590(9) 0.0287(3) Uani 1 1 d . . . . .
H95 H 1.075295 0.445891 0.762334 0.034 Uiso 1 1 calc R U . . .
C96 C 1.05352(10) 0.36325(8) 0.77341(8) 0.0245(3) Uani 1 1 d . . . . .
C97 C 0.92921(14) 0.35345(10) 0.89385(11) 0.0394(5) Uani 1 1 d . . . . .
H97A H 0.950686 0.314240 0.893144 0.059 Uiso 1 1 calc R U . . .
H97B H 0.864799 0.342755 0.877136 0.059 Uiso 1 1 calc R U . . .
H97C H 0.944259 0.389059 0.937613 0.059 Uiso 1 1 calc R U . . .
C98 C 1.00841(14) 0.53936(9) 0.84650(12) 0.0413(5) Uani 1 1 d . . . . .
H98A H 0.949652 0.543271 0.827408 0.062 Uiso 1 1 calc R U . . .
H98B H 1.052799 0.554084 0.829121 0.062 Uiso 1 1 calc R U . . .
H98C H 1.022265 0.566923 0.892645 0.062 Uiso 1 1 calc R U . . .
C99 C 1.10081(12) 0.32468(9) 0.72391(9) 0.0297(4) Uani 1 1 d . . . . .
H99A H 1.153757 0.314629 0.744127 0.044 Uiso 1 1 calc R U . . .
H99B H 1.118184 0.350911 0.703402 0.044 Uiso 1 1 calc R U . . .
H99C H 1.061290 0.283393 0.691953 0.044 Uiso 1 1 calc R U . . .
C100 C 1.13605(10) 0.24809(8) 0.81440(8) 0.0215(3) Uani 1 1 d . . . . .
C101 C 1.17819(10) 0.20075(8) 0.77342(8) 0.0232(3) Uani 1 1 d . . . . .
C102 C 1.26401(11) 0.19554(9) 0.79641(9) 0.0281(3) Uani 1 1 d . . . . .
H102 H 1.290783 0.162994 0.768475 0.034 Uiso 1 1 calc R U . . .
C103 C 1.31188(11) 0.23577(10) 0.85822(10) 0.0324(4) Uani 1 1 d . . . . .
C104 C 1.27055(11) 0.28228(10) 0.89827(9) 0.0317(4) Uani 1 1 d . . . . .
H104 H 1.302164 0.310620 0.940951 0.038 Uiso 1 1 calc R U . . .
C105 C 1.18435(10) 0.28863(8) 0.87784(8) 0.0252(3) Uani 1 1 d . . . . .
C106 C 1.13390(11) 0.15371(9) 0.70465(9) 0.0295(4) Uani 1 1 d . . . . .
H10A H 1.086178 0.121539 0.702492 0.044 Uiso 1 1 calc R U . . .
H10B H 1.177564 0.130484 0.683537 0.044 Uiso 1 1 calc R U . . .
H10C H 1.109251 0.178624 0.683358 0.044 Uiso 1 1 calc R U . . .
C107 C 1.40613(13) 0.23026(13) 0.88089(12) 0.0470(5) Uani 1 1 d . . . . .
H10D H 1.406416 0.188605 0.883179 0.071 Uiso 1 1 calc R U . . .
H10E H 1.432497 0.267349 0.923084 0.071 Uiso 1 1 calc R U . . .
H10F H 1.440581 0.231246 0.851095 0.071 Uiso 1 1 calc R U . . .
C108 C 1.14649(12) 0.34028(10) 0.92626(9) 0.0336(4) Uani 1 1 d . . . . .
H10G H 1.187841 0.359029 0.968159 0.050 Uiso 1 1 calc R U . . .
H10H H 1.089779 0.319919 0.927773 0.050 Uiso 1 1 calc R U . . .
H10I H 1.137270 0.375409 0.914277 0.050 Uiso 1 1 calc R U . . .
C109 C 1.02535(10) 0.17054(8) 0.99110(7) 0.0226(3) Uani 1 1 d . . . . .
C110 C 1.07494(11) 0.23452(8) 1.01486(8) 0.0274(3) Uani 1 1 d . . . . .
C111 C 1.16589(12) 0.24333(9) 1.02034(9) 0.0337(4) Uani 1 1 d . . . . .
H111 H 1.198109 0.286703 1.035733 0.040 Uiso 1 1 calc R U . . .
C112 C 1.21093(11) 0.19129(10) 1.00421(9) 0.0320(4) Uani 1 1 d . . . . .
C113 C 1.16241(11) 0.12848(9) 0.98301(8) 0.0278(3) Uani 1 1 d . . . . .
H113 H 1.192349 0.092128 0.972608 0.033 Uiso 1 1 calc R U . . .
C114 C 1.07171(11) 0.11730(8) 0.97660(8) 0.0236(3) Uani 1 1 d . . . . .
C115 C 1.03401(13) 0.29581(9) 1.03634(10) 0.0371(4) Uani 1 1 d . . . . .
H11A H 0.971986 0.284398 1.012609 0.056 Uiso 1 1 calc R U . . .
H11B H 1.066503 0.328825 1.028493 0.056 Uiso 1 1 calc R U . . .
H11C H 1.037019 0.313901 1.081847 0.056 Uiso 1 1 calc R U . . .
C116 C 1.30961(13) 0.20186(12) 1.01059(13) 0.0468(5) Uani 1 1 d . . . . .
H11D H 1.340725 0.219521 1.055334 0.070 Uiso 1 1 calc R U . . .
H11E H 1.325681 0.233249 0.995032 0.070 Uiso 1 1 calc R U . . .
H11F H 1.326478 0.159667 0.985527 0.070 Uiso 1 1 calc R U . . .
C117 C 1.02522(12) 0.04720(9) 0.95263(9) 0.0296(4) Uani 1 1 d . . . . .
H11G H 0.992690 0.045177 0.983030 0.044 Uiso 1 1 calc R U . . .
H11H H 1.069060 0.018327 0.947881 0.044 Uiso 1 1 calc R U . . .
H11I H 0.983704 0.032566 0.911395 0.044 Uiso 1 1 calc R U . . .
C118 C 0.85945(10) 0.11137(9) 1.00212(8) 0.0244(3) Uani 1 1 d . . . . .
C119 C 0.80820(11) 0.04697(9) 0.97223(9) 0.0263(3) Uani 1 1 d . . . . .
C120 C 0.76711(12) 0.02426(10) 1.00772(10) 0.0331(4) Uani 1 1 d . . . . .
H120 H 0.732115 -0.018897 0.986767 0.040 Uiso 1 1 calc R U . . .
C121 C 0.77519(13) 0.06191(12) 1.07205(10) 0.0387(5) Uani 1 1 d . . . . .
C122 C 0.82609(13) 0.12477(12) 1.10117(10) 0.0408(5) Uani 1 1 d . . . . .
H122 H 0.833267 0.151438 1.145453 0.049 Uiso 1 1 calc R U . . .
C123 C 0.86704(12) 0.15015(10) 1.06774(9) 0.0326(4) Uani 1 1 d . . . . .
C124 C 0.79456(13) 0.00001(9) 0.90305(9) 0.0321(4) Uani 1 1 d . . . . .
H12A H 0.778005 0.022877 0.877740 0.048 Uiso 1 1 calc R U . . .
H12B H 0.747237 -0.037439 0.890784 0.048 Uiso 1 1 calc R U . . .
H12C H 0.849534 -0.016085 0.895463 0.048 Uiso 1 1 calc R U . . .
C125 C 0.73018(17) 0.03611(15) 1.10956(13) 0.0558(7) Uani 1 1 d . . . . .
H12D H 0.691701 -0.006716 1.080504 0.084 Uiso 1 1 calc R U . . .
H12E H 0.694586 0.067479 1.132198 0.084 Uiso 1 1 calc R U . . .
H12F H 0.775110 0.030859 1.140270 0.084 Uiso 1 1 calc R U . . .
C126 C 0.91808(14) 0.22015(12) 1.10328(9) 0.0438(5) Uani 1 1 d . . . . .
H12G H 0.912083 0.239965 1.147176 0.066 Uiso 1 1 calc R U . . .
H12H H 0.894595 0.245881 1.082568 0.066 Uiso 1 1 calc R U . . .
H12I H 0.980747 0.220084 1.103205 0.066 Uiso 1 1 calc R U . . .
C127 C 0.92324(10) -0.08890(7) 0.67551(7) 0.0197(3) Uani 1 1 d . . . . .
C128 C 0.93570(10) -0.11087(8) 0.72262(7) 0.0221(3) Uani 1 1 d . . . . .
C129 C 0.87457(11) -0.16226(8) 0.71694(8) 0.0257(3) Uani 1 1 d . . . . .
H129 H 0.883084 -0.175723 0.749296 0.031 Uiso 1 1 calc R U . . .
C130 C 0.80118(11) -0.19467(9) 0.66530(8) 0.0271(3) Uani 1 1 d . . . . .
C131 C 0.78974(11) -0.17350(9) 0.61940(8) 0.0266(3) Uani 1 1 d . . . . .
H131 H 0.740660 -0.195422 0.583552 0.032 Uiso 1 1 calc R U . . .
C132 C 0.84802(10) -0.12086(8) 0.62396(7) 0.0218(3) Uani 1 1 d . . . . .
C133 C 1.01271(12) -0.07998(9) 0.78012(8) 0.0294(4) Uani 1 1 d . . . . .
H13A H 1.020347 -0.031757 0.798777 0.044 Uiso 1 1 calc R U . . .
H13B H 1.066657 -0.093997 0.767569 0.044 Uiso 1 1 calc R U . . .
H13C H 1.001266 -0.094053 0.811454 0.044 Uiso 1 1 calc R U . . .
C134 C 0.73686(13) -0.25033(11) 0.66097(11) 0.0403(5) Uani 1 1 d . . . . .
H13D H 0.769132 -0.283652 0.665033 0.060 Uiso 1 1 calc R U . . .
H13E H 0.693432 -0.270481 0.619842 0.060 Uiso 1 1 calc R U . . .
H13F H 0.706207 -0.233028 0.695226 0.060 Uiso 1 1 calc R U . . .
C135 C 0.82658(11) -0.10162(9) 0.57124(8) 0.0277(3) Uani 1 1 d . . . . .
H13G H 0.826388 -0.054112 0.589610 0.042 Uiso 1 1 calc R U . . .
H13H H 0.768121 -0.126153 0.543482 0.042 Uiso 1 1 calc R U . . .
H13I H 0.871351 -0.112116 0.546464 0.042 Uiso 1 1 calc R U . . .
C136 C 1.10544(10) -0.04079(8) 0.69254(8) 0.0214(3) Uani 1 1 d . . . . .
C137 C 1.17948(10) -0.00683(8) 0.74481(8) 0.0230(3) Uani 1 1 d . . . . .
C138 C 1.25768(11) -0.03163(9) 0.74501(8) 0.0269(3) Uani 1 1 d . . . . .
H138 H 1.306562 -0.008032 0.780756 0.032 Uiso 1 1 calc R U . . .
C139 C 1.26729(12) -0.08908(10) 0.69547(9) 0.0325(4) Uani 1 1 d . . . . .
C140 C 1.19664(12) -0.12003(10) 0.64269(9) 0.0340(4) Uani 1 1 d . . . . .
H140 H 1.202532 -0.158360 0.607042 0.041 Uiso 1 1 calc R U . . .
C141 C 1.11725(11) -0.09709(9) 0.63990(8) 0.0269(3) Uani 1 1 d . . . . .
C142 C 1.17850(11) 0.05580(8) 0.80304(8) 0.0274(3) Uani 1 1 d . . . . .
H14A H 1.153094 0.086799 0.789970 0.041 Uiso 1 1 calc R U . . .
H14B H 1.239173 0.075895 0.828942 0.041 Uiso 1 1 calc R U . . .
H14C H 1.142612 0.045321 0.827978 0.041 Uiso 1 1 calc R U . . .
C143 C 1.35123(14) -0.11663(13) 0.70001(11) 0.0466(5) Uani 1 1 d . . . . .
H14D H 1.363500 -0.122047 0.738614 0.070 Uiso 1 1 calc R U . . .
H14E H 1.400701 -0.086130 0.701621 0.070 Uiso 1 1 calc R U . . .
H14F H 1.343952 -0.159589 0.662757 0.070 Uiso 1 1 calc R U . . .
C144 C 1.04509(12) -0.13510(10) 0.57959(8) 0.0345(4) Uani 1 1 d . . . . .
H14G H 1.001915 -0.163909 0.585806 0.052 Uiso 1 1 calc R U . . .
H14H H 1.071059 -0.161993 0.544922 0.052 Uiso 1 1 calc R U . . .
H14I H 1.015418 -0.104084 0.568876 0.052 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
K2 K1 K4 59.467(10) . . ?
K3 K1 K2 63.445(12) . . ?
K3 K1 K4 59.862(11) . . ?
P2 K1 K2 73.271(13) . . ?
P2 K1 K3 113.968(15) . . ?
P2 K1 K4 55.647(12) . . ?
P2 K1 P3 102.599(16) . . ?
P2 K1 C75 75.82(4) . . ?
P3 K1 K2 116.944(16) . . ?
P3 K1 K3 62.086(13) . . ?
P3 K1 K4 67.155(13) . . ?
P3 K1 C75 106.90(3) . . ?
O1 K1 K2 46.46(3) . . ?
O1 K1 K3 45.28(3) . . ?
O1 K1 K4 88.63(3) . . ?
O1 K1 P2 119.72(3) . . ?
O1 K1 P3 104.92(3) . . ?
O1 K1 O2 89.93(4) . . ?
O1 K1 O3 89.87(4) . . ?
O1 K1 C75 139.97(4) . . ?
O2 K1 K2 43.71(2) . . ?
O2 K1 K3 89.36(3) . . ?
O2 K1 K4 42.27(3) . . ?
O2 K1 P2 30.36(2) . . ?
O2 K1 P3 107.54(3) . . ?
O2 K1 O3 82.66(4) . . ?
O2 K1 C75 102.84(4) . . ?
O3 K1 K2 88.24(3) . . ?
O3 K1 K3 44.95(3) . . ?
O3 K1 K4 40.43(2) . . ?
O3 K1 P2 89.06(3) . . ?
O3 K1 P3 29.35(2) . . ?
O3 K1 C75 128.98(4) . . ?
C75 K1 K2 130.46(4) . . ?
C75 K1 K3 165.96(4) . . ?
C75 K1 K4 126.02(4) . . ?
K1 K2 K3 57.458(11) . . ?
K1 K2 K4 62.910(11) . . ?
K4 K2 K3 59.149(11) . . ?
P1 K2 K1 72.360(12) . . ?
P1 K2 K3 57.425(12) . . ?
P1 K2 K4 114.912(16) . . ?
P1 K2 P4 107.136(16) . . ?
P1 K2 C93 73.59(3) . . ?
P4 K2 K1 114.619(15) . . ?
P4 K2 K3 68.227(13) . . ?
P4 K2 K4 59.266(12) . . ?
P4 K2 C93 104.68(3) . . ?
O1 K2 K1 43.99(2) . . ?
O1 K2 K3 41.91(3) . . ?
O1 K2 K4 89.73(3) . . ?
O1 K2 P1 29.50(2) . . ?
O1 K2 P4 108.41(3) . . ?
O1 K2 O4 84.26(4) . . ?
O1 K2 C93 101.75(4) . . ?
O2 K2 K1 46.04(3) . . ?
O2 K2 K3 86.15(3) . . ?
O2 K2 K4 44.15(3) . . ?
O2 K2 P1 118.36(3) . . ?
O2 K2 P4 100.93(3) . . ?
O2 K2 O1 89.79(4) . . ?
O2 K2 O4 85.52(4) . . ?
O2 K2 C93 146.71(4) . . ?
O4 K2 K1 86.40(3) . . ?
O4 K2 K3 42.37(3) . . ?
O4 K2 K4 41.65(3) . . ?
O4 K2 P1 93.86(3) . . ?
O4 K2 P4 28.82(3) . . ?
O4 K2 C93 126.31(4) . . ?
C93 K2 K1 133.77(3) . . ?
C93 K2 K3 123.03(3) . . ?
C93 K2 K4 162.95(3) . . ?
K1 K3 K4 63.568(10) . . ?
P1 K3 K1 69.938(12) . . ?
P1 K3 K4 107.807(14) . . ?
P1 K3 P3 117.919(15) . . ?
P3 K3 K1 51.335(11) . . ?
P3 K3 K4 65.274(12) . . ?
O1 K3 K1 44.98(3) . . ?
O1 K3 K4 91.40(3) . . ?
O1 K3 P1 24.96(2) . . ?
O1 K3 P3 94.24(3) . . ?
O1 K3 O4 89.64(4) . . ?
O1 K3 C10 55.35(4) . . ?
O1 K3 C11 66.54(4) . . ?
O1 K3 C15 73.83(4) . . ?
O1 K3 C37 100.72(5) . . ?
O1 K3 C42 123.14(5) . . ?
O3 K3 K1 50.68(3) . . ?
O3 K3 K4 42.07(3) . . ?
O3 K3 P1 120.07(3) . . ?
O3 K3 P3 23.27(3) . . ?
O3 K3 O1 95.25(4) . . ?
O3 K3 O4 83.56(4) . . ?
O3 K3 C10 148.55(4) . . ?
O3 K3 C11 140.53(4) . . ?
O3 K3 C15 166.62(4) . . ?
O3 K3 C37 53.78(4) . . ?
O3 K3 C42 68.06(4) . . ?
O4 K3 K1 90.20(3) . . ?
O4 K3 K4 41.55(3) . . ?
O4 K3 P1 89.98(3) . . ?
O4 K3 P3 106.81(3) . . ?
O4 K3 C10 104.96(4) . . ?
O4 K3 C11 128.44(4) . . ?
O4 K3 C15 88.56(4) . . ?
O4 K3 C37 136.60(4) . . ?
O4 K3 C42 137.18(5) . . ?
C10 K3 K1 98.45(3) . . ?
C10 K3 K4 136.60(3) . . ?
C10 K3 P1 32.22(3) . . ?
C10 K3 P3 135.30(3) . . ?
C10 K3 C11 23.94(4) . . ?
C10 K3 C15 25.71(4) . . ?
C10 K3 C37 115.64(5) . . ?
C10 K3 C42 116.08(5) . . ?
C11 K3 K1 100.87(3) . . ?
C11 K3 K4 157.28(3) . . ?
C11 K3 P1 49.61(3) . . ?
C11 K3 P3 119.40(3) . . ?
C15 K3 K1 118.81(3) . . ?
C15 K3 K4 128.73(3) . . ?
C15 K3 P1 48.89(3) . . ?
C15 K3 P3 160.71(3) . . ?
C15 K3 C11 42.12(4) . . ?
C37 K3 K1 69.96(4) . . ?
C37 K3 K4 95.70(3) . . ?
C37 K3 P1 116.39(4) . . ?
C37 K3 P3 31.16(3) . . ?
C37 K3 C11 93.83(4) . . ?
C37 K3 C15 134.83(5) . . ?
C42 K3 K1 95.21(4) . . ?
C42 K3 K4 105.14(4) . . ?
C42 K3 P1 131.66(4) . . ?
C42 K3 P3 50.01(4) . . ?
C42 K3 C11 92.16(5) . . ?
C42 K3 C15 124.27(5) . . ?
C42 K3 C37 25.43(5) . . ?
K3 K4 K2 61.533(12) . . ?
P2 K4 K2 69.108(11) . . ?
P2 K4 K3 103.702(13) . . ?
P2 K4 P4 117.231(16) . . ?
P4 K4 K2 51.357(12) . . ?
P4 K4 K3 66.488(13) . . ?
O2 K4 K2 42.56(2) . . ?
O2 K4 K3 87.02(3) . . ?
O2 K4 P2 26.55(2) . . ?
O2 K4 P4 91.77(3) . . ?
O2 K4 C28 56.07(4) . . ?
O2 K4 C29 76.73(4) . . ?
O2 K4 C33 65.27(4) . . ?
O2 K4 C55 101.01(5) . . ?
O2 K4 C56 123.55(5) . . ?
O3 K4 K2 91.12(3) . . ?
O3 K4 K3 43.05(3) . . ?
O3 K4 P2 87.64(3) . . ?
O3 K4 P4 109.38(3) . . ?
O3 K4 O2 89.17(4) . . ?
O3 K4 C28 106.31(4) . . ?
O3 K4 C29 91.97(4) . . ?
O3 K4 C33 131.22(4) . . ?
O3 K4 C55 138.73(5) . . ?
O3 K4 C56 137.56(5) . . ?
O4 K4 K2 47.08(3) . . ?
O4 K4 K3 43.46(3) . . ?
O4 K4 P2 115.67(3) . . ?
O4 K4 P4 23.05(3) . . ?
O4 K4 O2 89.34(4) . . ?
O4 K4 O3 86.44(4) . . ?
O4 K4 C28 141.97(5) . . ?
O4 K4 C29 166.01(5) . . ?
O4 K4 C33 130.83(5) . . ?
O4 K4 C55 54.22(4) . . ?
O4 K4 C56 69.54(5) . . ?
C28 K4 K2 96.07(3) . . ?
C28 K4 K3 135.39(3) . . ?
C28 K4 P2 33.05(3) . . ?
C28 K4 P4 130.91(4) . . ?
C28 K4 C29 26.43(4) . . ?
C28 K4 C33 24.93(4) . . ?
C28 K4 C55 112.56(5) . . ?
C28 K4 C56 114.22(5) . . ?
C29 K4 K2 119.14(3) . . ?
C29 K4 K3 132.72(4) . . ?
C29 K4 P2 50.35(3) . . ?
C29 K4 P4 155.73(4) . . ?
C29 K4 C33 43.71(4) . . ?
C29 K4 C55 129.24(5) . . ?
C29 K4 C56 119.35(5) . . ?
C33 K4 K2 95.15(3) . . ?
C33 K4 K3 152.29(3) . . ?
C33 K4 P2 50.85(3) . . ?
C33 K4 P4 112.08(3) . . ?
C55 K4 K2 71.90(4) . . ?
C55 K4 K3 97.14(4) . . ?
C55 K4 P2 118.36(4) . . ?
C55 K4 P4 31.52(4) . . ?
C55 K4 C33 88.53(5) . . ?
C56 K4 K2 96.51(4) . . ?
C56 K4 K3 106.73(4) . . ?
C56 K4 P2 133.97(4) . . ?
C56 K4 P4 50.35(4) . . ?
C56 K4 C33 89.68(5) . . ?
C56 K4 C55 24.86(5) . . ?
K6 K5 K7 55.707(9) . . ?
K8 K5 K6 60.558(10) . . ?
K8 K5 K7 59.468(9) . . ?
P5 K5 K6 71.754(13) . . ?
P5 K5 K7 58.051(11) . . ?
P5 K5 K8 115.233(15) . . ?
P5 K5 P7 108.860(16) . . ?
P5 K5 C2 80.53(3) . . ?
P5 K5 C3 80.11(4) . . ?
P7 K5 K6 112.634(14) . . ?
P7 K5 K7 68.499(12) . . ?
P7 K5 K8 60.096(11) . . ?
P7 K5 C2 122.98(3) . . ?
P7 K5 C3 100.59(3) . . ?
O5 K5 K6 43.06(2) . . ?
O5 K5 K7 41.39(2) . . ?
O5 K5 K8 88.66(2) . . ?
O5 K5 P5 29.89(2) . . ?
O5 K5 P7 108.44(3) . . ?
O5 K5 C2 104.74(4) . . ?
O5 K5 C3 109.31(4) . . ?
O6 K5 K6 46.61(3) . . ?
O6 K5 K7 86.92(3) . . ?
O6 K5 K8 43.68(3) . . ?
O6 K5 P5 118.02(3) . . ?
O6 K5 P7 100.96(3) . . ?
O6 K5 O5 89.62(4) . . ?
O6 K5 O7 90.42(4) . . ?
O6 K5 C2 124.42(4) . . ?
O6 K5 C3 144.84(4) . . ?
O7 K5 K6 85.54(3) . . ?
O7 K5 K7 40.11(2) . . ?
O7 K5 K8 47.17(2) . . ?
O7 K5 P5 90.69(3) . . ?
O7 K5 P7 29.21(2) . . ?
O7 K5 O5 81.30(3) . . ?
O7 K5 C2 144.15(4) . . ?
O7 K5 C3 120.85(4) . . ?
C2 K5 K6 123.29(3) . . ?
C2 K5 K7 137.43(3) . . ?
C2 K5 K8 162.95(3) . . ?
C3 K5 K6 141.71(4) . . ?
C3 K5 K7 126.95(4) . . ?
C3 K5 K8 157.72(4) . . ?
C3 K5 C2 23.50(4) . . ?
K7 K6 K5 64.343(11) . . ?
K7 K6 K8 61.850(11) . . ?
K8 K6 K5 58.837(11) . . ?
P6 K6 K5 71.060(12) . . ?
P6 K6 K7 119.095(16) . . ?
P6 K6 K8 60.234(12) . . ?
P6 K6 P8 111.470(16) . . ?
P8 K6 K5 117.455(13) . . ?
P8 K6 K7 61.584(11) . . ?
P8 K6 K8 69.361(11) . . ?
O5 K6 K5 45.50(3) . . ?
O5 K6 K7 46.42(3) . . ?
O5 K6 K8 88.96(3) . . ?
O5 K6 P6 115.84(3) . . ?
O5 K6 P8 105.87(3) . . ?
O5 K6 O6 88.76(3) . . ?
O5 K6 O8 93.55(4) . . ?
O6 K6 K5 43.31(2) . . ?
O6 K6 K7 91.62(3) . . ?
O6 K6 K8 42.77(2) . . ?
O6 K6 P6 29.91(2) . . ?
O6 K6 P8 110.48(3) . . ?
O8 K6 K5 90.68(3) . . ?
O8 K6 K7 47.69(3) . . ?
O8 K6 K8 42.75(2) . . ?
O8 K6 P6 96.02(3) . . ?
O8 K6 P8 28.08(2) . . ?
O8 K6 O6 85.39(3) . . ?
K6 K7 K5 59.950(11) . . ?
K6 K7 K8 61.281(10) . . ?
K8 K7 K5 57.332(10) . . ?
P5 K7 K5 48.602(10) . . ?
P5 K7 K6 69.818(12) . . ?
P5 K7 K8 104.102(14) . . ?
P5 K7 P8 120.692(14) . . ?
P8 K7 K5 107.224(12) . . ?
P8 K7 K6 54.083(10) . . ?
P8 K7 K8 66.479(11) . . ?
O5 K7 K5 42.98(3) . . ?
O5 K7 K6 45.65(2) . . ?
O5 K7 K8 88.03(3) . . ?
O5 K7 P5 24.19(2) . . ?
O5 K7 P8 97.86(3) . . ?
O5 K7 O8 92.39(4) . . ?
O5 K7 C82 53.86(4) . . ?
O5 K7 C87 65.11(4) . . ?
O5 K7 C127 115.13(4) . . ?
O5 K7 C128 141.10(4) . . ?
O7 K7 K5 42.72(3) . . ?
O7 K7 K6 91.25(3) . . ?
O7 K7 K8 45.86(3) . . ?
O7 K7 P5 84.38(3) . . ?
O7 K7 P8 112.18(3) . . ?
O7 K7 O5 85.49(4) . . ?
O7 K7 O8 88.31(4) . . ?
O7 K7 C82 98.56(4) . . ?
O7 K7 C87 122.77(4) . . ?
O7 K7 C127 135.90(4) . . ?
O7 K7 C128 124.22(4) . . ?
O8 K7 K5 87.12(3) . . ?
O8 K7 K6 47.29(3) . . ?
O8 K7 K8 42.46(2) . . ?
O8 K7 P5 116.45(3) . . ?
O8 K7 P8 24.21(2) . . ?
O8 K7 C82 144.43(4) . . ?
O8 K7 C87 137.41(4) . . ?
O8 K7 C127 54.26(4) . . ?
O8 K7 C128 66.94(4) . . ?
C82 K7 K5 75.36(3) . . ?
C82 K7 K6 97.45(3) . . ?
C82 K7 K8 132.68(3) . . ?
C82 K7 P5 31.44(3) . . ?
C82 K7 P8 136.82(3) . . ?
C82 K7 C87 24.50(4) . . ?
C87 K7 K5 97.15(3) . . ?
C87 K7 K6 99.19(3) . . ?
C87 K7 K8 152.76(3) . . ?
C87 K7 P5 49.06(3) . . ?
C87 K7 P8 119.35(3) . . ?
C127 K7 K5 137.96(3) . . ?
C127 K7 K6 79.91(3) . . ?
C127 K7 K8 93.98(3) . . ?
C127 K7 P5 130.28(3) . . ?
C127 K7 P8 31.44(3) . . ?
C127 K7 C82 125.32(4) . . ?
C127 K7 C87 101.32(4) . . ?
C127 K7 C128 26.14(4) . . ?
C128 K7 K5 152.72(3) . . ?
C128 K7 K6 103.76(3) . . ?
C128 K7 K8 96.12(3) . . ?
C128 K7 P5 151.28(3) . . ?
C128 K7 P8 50.40(3) . . ?
C128 K7 C82 130.95(4) . . ?
C128 K7 C87 107.55(4) . . ?
K5 K8 K6 60.605(10) . . ?
P6 K8 K5 67.852(11) . . ?
P6 K8 K6 49.877(10) . . ?
P7 K8 K5 51.648(11) . . ?
P7 K8 K6 105.400(14) . . ?
P7 K8 P6 116.118(14) . . ?
O6 K8 K5 44.26(2) . . ?
O6 K8 K6 46.63(3) . . ?
O6 K8 P6 23.61(2) . . ?
O6 K8 P7 93.39(3) . . ?
O6 K8 O7 90.20(3) . . ?
O6 K8 O8 91.21(4) . . ?
O6 K8 C100 53.38(4) . . ?
O6 K8 C109 114.07(4) . . ?
O6 K8 C110 101.90(4) . . ?
O6 K8 C113 149.59(4) . . ?
O6 K8 C114 140.44(4) . . ?
O7 K8 K5 46.36(2) . . ?
O7 K8 K6 85.09(2) . . ?
O7 K8 P6 113.44(3) . . ?
O7 K8 P7 25.20(2) . . ?
O7 K8 C100 142.99(4) . . ?
O7 K8 C109 54.30(4) . . ?
O7 K8 C110 74.01(4) . . ?
O7 K8 C113 88.35(4) . . ?
O7 K8 C114 64.37(4) . . ?
O8 K8 K5 93.72(3) . . ?
O8 K8 K6 44.72(3) . . ?
O8 K8 P6 88.32(3) . . ?
O8 K8 P7 111.92(3) . . ?
O8 K8 O7 87.03(3) . . ?
O8 K8 C100 98.76(4) . . ?
O8 K8 C109 131.57(4) . . ?
O8 K8 C110 156.80(4) . . ?
O8 K8 C113 119.02(4) . . ?
O8 K8 C114 115.51(4) . . ?
C100 K8 K5 96.66(3) . . ?
C100 K8 K6 74.43(3) . . ?
C100 K8 P6 31.35(3) . . ?
C100 K8 P7 135.57(3) . . ?
C100 K8 C113 119.02(4) . . ?
C109 K8 K5 80.13(3) . . ?
C109 K8 K6 137.43(3) . . ?
C109 K8 P6 130.70(3) . . ?
C109 K8 P7 32.05(3) . . ?
C109 K8 C100 129.61(4) . . ?
C109 K8 C110 25.23(4) . . ?
C109 K8 C113 43.75(4) . . ?
C109 K8 C114 26.46(4) . . ?
C110 K8 K5 82.93(3) . . ?
C110 K8 K6 142.67(3) . . ?
C110 K8 P6 111.24(3) . . ?
C110 K8 P7 48.92(3) . . ?
C110 K8 C100 104.43(4) . . ?
C110 K8 C113 48.73(4) . . ?
C113 K8 K5 123.81(3) . . ?
C113 K8 K6 162.70(3) . . ?
C113 K8 P6 146.66(3) . . ?
C113 K8 P7 73.28(3) . . ?
C114 K8 K5 102.36(3) . . ?
C114 K8 K6 146.18(3) . . ?
C114 K8 P6 155.30(3) . . ?
C114 K8 P7 50.75(3) . . ?
C114 K8 C100 139.11(4) . . ?
C114 K8 C110 44.08(4) . . ?
C114 K8 C113 24.00(4) . . ?
K2 P1 K3 72.649(14) . . ?
O1 P1 K2 60.14(5) . . ?
O1 P1 K3 45.71(4) . . ?
O1 P1 C1 111.07(7) . . ?
O1 P1 C10 102.99(7) . . ?
C1 P1 K2 136.47(5) . . ?
C1 P1 K3 134.96(5) . . ?
C1 P1 C10 101.32(7) . . ?
C10 P1 K2 122.16(5) . . ?
C10 P1 K3 61.72(5) . . ?
K1 P2 K4 75.960(13) . . ?
O2 P2 K1 62.26(5) . . ?
O2 P2 K4 50.68(4) . . ?
O2 P2 C19 111.42(8) . . ?
O2 P2 C28 103.02(7) . . ?
C19 P2 K1 127.56(6) . . ?
C19 P2 K4 144.02(6) . . ?
C19 P2 C28 102.83(7) . . ?
C28 P2 K1 129.60(5) . . ?
C28 P2 K4 61.06(5) . . ?
K1 P3 K3 66.579(14) . . ?
O3 P3 K1 65.53(5) . . ?
O3 P3 K3 42.07(5) . . ?
O3 P3 C37 103.27(7) . . ?
O3 P3 C46 111.90(8) . . ?
C37 P3 K1 101.89(6) . . ?
C37 P3 K3 62.78(6) . . ?
C46 P3 K1 159.06(6) . . ?
C46 P3 K3 126.74(6) . . ?
C46 P3 C37 98.90(8) . . ?
K2 P4 K4 69.376(14) . . ?
O4 P4 K2 61.37(5) . . ?
O4 P4 K4 40.30(5) . . ?
O4 P4 C55 105.59(8) . . ?
O4 P4 C64 110.32(8) . . ?
C55 P4 K2 108.78(6) . . ?
C55 P4 K4 66.13(6) . . ?
C64 P4 K2 150.57(6) . . ?
C64 P4 K4 124.49(6) . . ?
C64 P4 C55 100.64(8) . . ?
K5 P5 K7 73.348(13) . . ?
O5 P5 K5 61.03(4) . . ?
O5 P5 K7 44.22(4) . . ?
O5 P5 C73 110.46(7) . . ?
O5 P5 C82 104.90(6) . . ?
C73 P5 K5 134.08(5) . . ?
C73 P5 K7 135.02(5) . . ?
C73 P5 C82 101.05(7) . . ?
C82 P5 K5 124.87(5) . . ?
C82 P5 K7 65.14(5) . . ?
K6 P6 K8 69.889(14) . . ?
O6 P6 K6 63.07(5) . . ?
O6 P6 K8 41.98(4) . . ?
O6 P6 C91 110.90(7) . . ?
O6 P6 C100 104.81(7) . . ?
C91 P6 K6 139.58(5) . . ?
C91 P6 K8 134.76(6) . . ?
C91 P6 C100 101.90(7) . . ?
C100 P6 K6 118.43(5) . . ?
C100 P6 K8 66.78(5) . . ?
K5 P7 K8 68.256(13) . . ?
O7 P7 K5 59.14(4) . . ?
O7 P7 K8 49.36(4) . . ?
O7 P7 C109 101.35(7) . . ?
O7 P7 C118 111.84(7) . . ?
C109 P7 K5 119.40(5) . . ?
C109 P7 K8 59.28(5) . . ?
C118 P7 K5 137.45(5) . . ?
C118 P7 K8 141.41(5) . . ?
C118 P7 C109 103.03(7) . . ?
K6 P8 K7 64.333(11) . . ?
O8 P8 K6 54.49(4) . . ?
O8 P8 K7 45.54(4) . . ?
O8 P8 C127 102.54(6) . . ?
O8 P8 C136 111.19(7) . . ?
C127 P8 K6 112.92(5) . . ?
C127 P8 K7 60.39(5) . . ?
C136 P8 K6 146.71(5) . . ?
C136 P8 K7 130.85(5) . . ?
C136 P8 C127 99.12(7) . . ?
K1 O1 K2 89.56(4) . . ?
K1 O1 K3 89.73(4) . . ?
K3 O1 K2 94.19(4) . . ?
P1 O1 K1 160.89(7) . . ?
P1 O1 K2 90.35(5) . . ?
P1 O1 K3 109.33(6) . . ?
K2 O2 K1 90.25(4) . . ?
K2 O2 K4 93.29(4) . . ?
K4 O2 K1 94.86(4) . . ?
P2 O2 K1 87.38(5) . . ?
P2 O2 K2 163.91(7) . . ?
P2 O2 K4 102.77(6) . . ?
K3 O3 K1 84.37(4) . . ?
K4 O3 K1 93.25(4) . . ?
K4 O3 K3 94.88(4) . . ?
P3 O3 K1 85.11(5) . . ?
P3 O3 K3 114.66(6) . . ?
P3 O3 K4 150.03(7) . . ?
K3 O4 K2 91.89(4) . . ?
K4 O4 K2 91.27(4) . . ?
K4 O4 K3 94.99(4) . . ?
P4 O4 K2 89.82(6) . . ?
P4 O4 K3 148.27(7) . . ?
P4 O4 K4 116.65(7) . . ?
K6 O5 K5 91.45(3) . . ?
K6 O5 K7 87.93(3) . . ?
K7 O5 K5 95.63(4) . . ?
P5 O5 K5 89.08(5) . . ?
P5 O5 K6 160.33(7) . . ?
P5 O5 K7 111.59(6) . . ?
K5 O6 K6 90.09(3) . . ?
K8 O6 K5 92.06(4) . . ?
K8 O6 K6 90.60(4) . . ?
P6 O6 K5 153.39(6) . . ?
P6 O6 K6 87.02(5) . . ?
P6 O6 K8 114.40(6) . . ?
K5 O7 K8 86.47(3) . . ?
K7 O7 K5 97.16(4) . . ?
K7 O7 K8 91.87(3) . . ?
P7 O7 K5 91.65(5) . . ?
P7 O7 K7 161.05(7) . . ?
P7 O7 K8 105.44(5) . . ?
K6 O8 K7 85.01(3) . . ?
K8 O8 K6 92.53(4) . . ?
K8 O8 K7 92.77(4) . . ?
P8 O8 K6 97.43(5) . . ?
P8 O8 K7 110.25(6) . . ?
P8 O8 K8 155.55(6) . . ?
C2 C1 P1 125.45(12) . . ?
C2 C1 C6 118.13(15) . . ?
C6 C1 P1 115.99(13) . . ?
C1 C2 K5 107.27(10) . . ?
C1 C2 C7 123.01(15) . . ?
C3 C2 K5 68.08(9) . . ?
C3 C2 C1 119.88(16) . . ?
C3 C2 C7 117.09(16) . . ?
C7 C2 K5 94.63(10) . . ?
K5 C3 H3 85.3 . . ?
C2 C3 K5 88.42(10) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 K5 96.15(11) . . ?
C4 C3 C2 122.27(18) . . ?
C4 C3 H3 118.9 . . ?
C3 C4 C8 120.7(2) . . ?
C5 C4 C3 117.55(17) . . ?
C5 C4 C8 121.76(19) . . ?
C4 C5 H5 119.0 . . ?
C4 C5 C6 122.10(17) . . ?
C6 C5 H5 119.0 . . ?
C1 C6 C9 121.39(16) . . ?
C5 C6 C1 119.97(17) . . ?
C5 C6 C9 118.63(16) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P1 C10 K3 86.05(6) . . ?
C11 C10 K3 93.63(10) . . ?
C11 C10 P1 125.52(12) . . ?
C15 C10 K3 82.19(10) . . ?
C15 C10 P1 115.99(12) . . ?
C15 C10 C11 117.90(15) . . ?
C10 C11 K3 62.43(9) . . ?
C10 C11 C16 123.23(15) . . ?
C12 C11 K3 95.92(12) . . ?
C12 C11 C10 119.63(16) . . ?
C12 C11 C16 117.14(15) . . ?
C16 C11 K3 111.50(11) . . ?
C11 C12 H12 118.6 . . ?
C13 C12 C11 122.72(17) . . ?
C13 C12 H12 118.6 . . ?
C12 C13 C14 117.27(17) . . ?
C12 C13 C17 120.78(19) . . ?
C14 C13 C17 121.94(19) . . ?
C13 C14 H14 118.9 . . ?
C13 C14 C15 122.23(17) . . ?
C15 C14 H14 118.9 . . ?
C10 C15 K3 72.10(9) . . ?
C10 C15 C18 122.29(15) . . ?
C14 C15 K3 95.85(11) . . ?
C14 C15 C10 120.10(16) . . ?
C14 C15 C18 117.61(16) . . ?
C18 C15 K3 101.65(11) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 P2 124.68(14) . . ?
C20 C19 C24 118.21(16) . . ?
C24 C19 P2 115.66(14) . . ?
C19 C20 C25 123.34(17) . . ?
C21 C20 C19 119.4(2) . . ?
C21 C20 C25 117.2(2) . . ?
C20 C21 H21 118.8 . . ?
C22 C21 C20 122.5(2) . . ?
C22 C21 H21 118.8 . . ?
C21 C22 C23 118.06(19) . . ?
C21 C22 C26 121.0(3) . . ?
C23 C22 C26 121.0(3) . . ?
C22 C23 H23 119.1 . . ?
C22 C23 C24 121.8(2) . . ?
C24 C23 H23 119.1 . . ?
C19 C24 C27 121.71(16) . . ?
C23 C24 C19 120.1(2) . . ?
C23 C24 C27 118.19(19) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
P2 C28 K4 85.88(6) . . ?
C29 C28 K4 82.44(9) . . ?
C29 C28 P2 116.65(13) . . ?
C33 C28 K4 91.22(10) . . ?
C33 C28 P2 124.01(13) . . ?
C33 C28 C29 118.30(16) . . ?
C28 C29 K4 71.13(9) . . ?
C28 C29 C34 122.53(16) . . ?
C30 C29 K4 96.40(11) . . ?
C30 C29 C28 119.73(17) . . ?
C30 C29 C34 117.69(16) . . ?
C34 C29 K4 100.72(10) . . ?
C29 C30 H30 119.0 . . ?
C31 C30 C29 122.04(18) . . ?
C31 C30 H30 119.0 . . ?
C30 C31 C32 117.92(18) . . ?
C30 C31 C35 120.5(2) . . ?
C32 C31 C35 121.5(2) . . ?
C31 C32 H32 118.9 . . ?
C31 C32 C33 122.17(18) . . ?
C33 C32 H32 118.9 . . ?
C28 C33 K4 63.85(9) . . ?
C28 C33 C36 122.06(16) . . ?
C32 C33 K4 96.05(12) . . ?
C32 C33 C28 119.82(17) . . ?
C32 C33 C36 118.09(17) . . ?
C36 C33 K4 108.51(11) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P3 C37 K3 86.06(6) . . ?
C38 C37 K3 105.51(11) . . ?
C38 C37 P3 118.09(14) . . ?
C42 C37 K3 75.44(10) . . ?
C42 C37 P3 123.26(15) . . ?
C42 C37 C38 118.49(17) . . ?
C37 C38 C43 123.57(17) . . ?
C39 C38 C37 120.0(2) . . ?
C39 C38 C43 116.38(19) . . ?
C38 C39 H39 119.3 . . ?
C40 C39 C38 121.4(2) . . ?
C40 C39 H39 119.3 . . ?
C39 C40 C44 120.0(2) . . ?
C41 C40 C39 118.68(19) . . ?
C41 C40 C44 121.3(2) . . ?
C40 C41 H41 118.9 . . ?
C40 C41 C42 122.1(2) . . ?
C42 C41 H41 118.9 . . ?
C37 C42 K3 79.13(10) . . ?
C37 C42 C45 122.50(17) . . ?
C41 C42 K3 105.04(13) . . ?
C41 C42 C37 119.2(2) . . ?
C41 C42 C45 118.29(19) . . ?
C45 C42 K3 86.61(12) . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C44 H44A 109.5 . . ?
C40 C44 H44B 109.5 . . ?
C40 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 P3 125.98(14) . . ?
C47 C46 C51 117.96(17) . . ?
C51 C46 P3 115.88(15) . . ?
C46 C47 C52 123.61(17) . . ?
C48 C47 C46 119.4(2) . . ?
C48 C47 C52 117.0(2) . . ?
C47 C48 H48 118.6 . . ?
C49 C48 C47 122.8(2) . . ?
C49 C48 H48 118.6 . . ?
C48 C49 C53 120.6(3) . . ?
C50 C49 C48 117.7(2) . . ?
C50 C49 C53 121.7(3) . . ?
C49 C50 H50 119.0 . . ?
C49 C50 C51 122.1(2) . . ?
C51 C50 H50 119.0 . . ?
C46 C51 C54 122.21(18) . . ?
C50 C51 C46 120.0(2) . . ?
C50 C51 C54 117.80(19) . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
P4 C55 K4 82.35(6) . . ?
C56 C55 K4 76.05(11) . . ?
C56 C55 P4 124.10(16) . . ?
C56 C55 C60 117.91(19) . . ?
C60 C55 K4 111.92(12) . . ?
C60 C55 P4 117.96(16) . . ?
C55 C56 K4 79.10(11) . . ?
C55 C56 C61 122.37(18) . . ?
C57 C56 K4 111.91(13) . . ?
C57 C56 C55 120.2(2) . . ?
C57 C56 C61 117.4(2) . . ?
C61 C56 K4 80.94(11) . . ?
C56 C57 H57 118.9 . . ?
C56 C57 C58 122.2(2) . . ?
C58 C57 H57 118.9 . . ?
C57 C58 C62 121.1(3) . . ?
C59 C58 C57 117.4(2) . . ?
C59 C58 C62 121.5(3) . . ?
C58 C59 H59 118.8 . . ?
C58 C59 C60 122.5(2) . . ?
C60 C59 H59 118.8 . . ?
C55 C60 C63 123.7(2) . . ?
C59 C60 C55 119.6(2) . . ?
C59 C60 C63 116.7(2) . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C58 C62 H62A 109.5 . . ?
C58 C62 H62B 109.5 . . ?
C58 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C60 C63 H63A 109.5 . . ?
C60 C63 H63B 109.5 . . ?
C60 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C65 C64 P4 126.70(14) . . ?
C65 C64 C69 118.07(17) . . ?
C69 C64 P4 114.45(16) . . ?
C64 C65 C66 119.5(2) . . ?
C64 C65 C70 124.84(17) . . ?
C66 C65 C70 115.7(2) . . ?
C65 C66 H66 118.8 . . ?
C67 C66 C65 122.4(2) . . ?
C67 C66 H66 118.8 . . ?
C66 C67 C71 121.2(2) . . ?
C68 C67 C66 117.80(19) . . ?
C68 C67 C71 120.9(2) . . ?
C67 C68 H68 118.7 . . ?
C67 C68 C69 122.6(2) . . ?
C69 C68 H68 118.7 . . ?
C64 C69 C72 122.35(18) . . ?
C68 C69 C64 119.6(2) . . ?
C68 C69 C72 118.06(19) . . ?
C65 C70 H70A 109.5 . . ?
C65 C70 H70B 109.5 . . ?
C65 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C67 C71 H71A 109.5 . . ?
C67 C71 H71B 109.5 . . ?
C67 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 P5 124.70(12) . . ?
C74 C73 C78 117.57(15) . . ?
C78 C73 P5 116.94(13) . . ?
C73 C74 C79 123.89(15) . . ?
C75 C74 C73 119.97(17) . . ?
C75 C74 C79 116.14(17) . . ?
K1 C75 H75 85.3 . . ?
C74 C75 K1 93.18(12) . . ?
C74 C75 H75 118.7 . . ?
C76 C75 K1 91.35(12) . . ?
C76 C75 C74 122.68(18) . . ?
C76 C75 H75 118.7 . . ?
C75 C76 C80 121.1(2) . . ?
C77 C76 C75 117.11(16) . . ?
C77 C76 C80 121.8(2) . . ?
C76 C77 H77 118.7 . . ?
C76 C77 C78 122.60(17) . . ?
C78 C77 H77 118.7 . . ?
C73 C78 C81 121.97(15) . . ?
C77 C78 C73 120.06(17) . . ?
C77 C78 C81 117.97(15) . . ?
C74 C79 H79A 109.5 . . ?
C74 C79 H79B 109.5 . . ?
C74 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C76 C80 H80A 109.5 . . ?
C76 C80 H80B 109.5 . . ?
C76 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C78 C81 H81A 109.5 . . ?
C78 C81 H81B 109.5 . . ?
C78 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
P5 C82 K7 83.42(5) . . ?
C83 C82 K7 101.93(10) . . ?
C83 C82 P5 118.97(12) . . ?
C83 C82 C87 118.49(14) . . ?
C87 C82 K7 82.54(9) . . ?
C87 C82 P5 122.47(12) . . ?
C82 C83 C88 123.28(15) . . ?
C84 C83 C82 119.64(16) . . ?
C84 C83 C88 117.08(16) . . ?
C83 C84 H84 118.9 . . ?
C85 C84 C83 122.12(16) . . ?
C85 C84 H84 118.9 . . ?
C84 C85 C86 117.88(16) . . ?
C84 C85 C89 121.19(17) . . ?
C86 C85 C89 120.91(17) . . ?
C85 C86 H86 119.0 . . ?
C85 C86 C87 121.97(16) . . ?
C87 C86 H86 119.0 . . ?
C82 C87 K7 72.96(8) . . ?
C82 C87 C90 121.54(14) . . ?
C86 C87 K7 107.42(10) . . ?
C86 C87 C82 119.83(15) . . ?
C86 C87 C90 118.63(15) . . ?
C90 C87 K7 90.45(9) . . ?
C83 C88 H88A 109.5 . . ?
C83 C88 H88B 109.5 . . ?
C83 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C85 C89 H89A 109.5 . . ?
C85 C89 H89B 109.5 . . ?
C85 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C87 C90 H90A 109.5 . . ?
C87 C90 H90B 109.5 . . ?
C87 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C92 C91 P6 126.28(12) . . ?
C92 C91 C96 117.80(15) . . ?
C96 C91 P6 115.53(12) . . ?
C91 C92 C97 124.10(15) . . ?
C93 C92 C91 119.72(16) . . ?
C93 C92 C97 116.15(16) . . ?
K2 C93 H93 94.1 . . ?
C92 C93 K2 93.61(11) . . ?
C92 C93 H93 118.7 . . ?
C94 C93 K2 82.42(11) . . ?
C94 C93 C92 122.56(17) . . ?
C94 C93 H93 118.7 . . ?
C93 C94 C98 120.87(18) . . ?
C95 C94 C93 117.59(16) . . ?
C95 C94 C98 121.54(18) . . ?
C94 C95 H95 119.0 . . ?
C94 C95 C96 122.00(17) . . ?
C96 C95 H95 119.0 . . ?
C91 C96 C99 121.82(15) . . ?
C95 C96 C91 120.29(16) . . ?
C95 C96 C99 117.87(15) . . ?
C92 C97 H97A 109.5 . . ?
C92 C97 H97B 109.5 . . ?
C92 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C94 C98 H98A 109.5 . . ?
C94 C98 H98B 109.5 . . ?
C94 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C96 C99 H99A 109.5 . . ?
C96 C99 H99B 109.5 . . ?
C96 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
P6 C100 K8 81.87(5) . . ?
C101 C100 K8 94.59(10) . . ?
C101 C100 P6 116.74(12) . . ?
C105 C100 K8 89.40(10) . . ?
C105 C100 P6 125.45(12) . . ?
C105 C100 C101 117.59(14) . . ?
C100 C101 C106 123.17(14) . . ?
C102 C101 C100 119.83(16) . . ?
C102 C101 C106 117.00(15) . . ?
C101 C102 H102 118.7 . . ?
C103 C102 C101 122.70(16) . . ?
C103 C102 H102 118.7 . . ?
C102 C103 C104 117.37(16) . . ?
C102 C103 C107 121.21(18) . . ?
C104 C103 C107 121.40(19) . . ?
C103 C104 H104 119.0 . . ?
C103 C104 C105 122.08(17) . . ?
C105 C104 H104 119.0 . . ?
C100 C105 C108 122.66(15) . . ?
C104 C105 C100 120.41(15) . . ?
C104 C105 C108 116.93(16) . . ?
C101 C106 H10A 109.5 . . ?
C101 C106 H10B 109.5 . . ?
C101 C106 H10C 109.5 . . ?
H10A C106 H10B 109.5 . . ?
H10A C106 H10C 109.5 . . ?
H10B C106 H10C 109.5 . . ?
C103 C107 H10D 109.5 . . ?
C103 C107 H10E 109.5 . . ?
C103 C107 H10F 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C105 C108 H10G 109.5 . . ?
C105 C108 H10H 109.5 . . ?
C105 C108 H10I 109.5 . . ?
H10G C108 H10H 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
P7 C109 K8 88.67(6) . . ?
C110 C109 K8 87.76(10) . . ?
C110 C109 P7 118.91(12) . . ?
C110 C109 C114 117.87(15) . . ?
C114 C109 K8 80.21(9) . . ?
C114 C109 P7 121.42(12) . . ?
C109 C110 K8 67.01(9) . . ?
C109 C110 C115 122.84(16) . . ?
C111 C110 K8 88.94(11) . . ?
C111 C110 C109 119.94(16) . . ?
C111 C110 C115 117.22(16) . . ?
C115 C110 K8 115.69(12) . . ?
C110 C111 H111 118.8 . . ?
C112 C111 C110 122.36(17) . . ?
C112 C111 H111 118.8 . . ?
C111 C112 C113 117.61(16) . . ?
C111 C112 C116 121.57(18) . . ?
C113 C112 C116 120.80(18) . . ?
K8 C113 H113 117.0 . . ?
C112 C113 K8 87.45(11) . . ?
C112 C113 H113 119.0 . . ?
C114 C113 K8 66.71(9) . . ?
C114 C113 C112 122.05(16) . . ?
C114 C113 H113 119.0 . . ?
C109 C114 K8 73.33(9) . . ?
C109 C114 C117 122.06(14) . . ?
C113 C114 K8 89.30(10) . . ?
C113 C114 C109 120.08(16) . . ?
C113 C114 C117 117.84(15) . . ?
C117 C114 K8 106.64(10) . . ?
C110 C115 H11A 109.5 . . ?
C110 C115 H11B 109.5 . . ?
C110 C115 H11C 109.5 . . ?
H11A C115 H11B 109.5 . . ?
H11A C115 H11C 109.5 . . ?
H11B C115 H11C 109.5 . . ?
C112 C116 H11D 109.5 . . ?
C112 C116 H11E 109.5 . . ?
C112 C116 H11F 109.5 . . ?
H11D C116 H11E 109.5 . . ?
H11D C116 H11F 109.5 . . ?
H11E C116 H11F 109.5 . . ?
C114 C117 H11G 109.5 . . ?
C114 C117 H11H 109.5 . . ?
C114 C117 H11I 109.5 . . ?
H11G C117 H11H 109.5 . . ?
H11G C117 H11I 109.5 . . ?
H11H C117 H11I 109.5 . . ?
C119 C118 P7 125.96(13) . . ?
C123 C118 P7 115.48(14) . . ?
C123 C118 C119 117.62(16) . . ?
C118 C119 C124 123.66(15) . . ?
C120 C119 C118 119.65(17) . . ?
C120 C119 C124 116.69(17) . . ?
C119 C120 H120 118.6 . . ?
C121 C120 C119 122.80(19) . . ?
C121 C120 H120 118.6 . . ?
C120 C121 C122 117.27(18) . . ?
C120 C121 C125 121.8(2) . . ?
C122 C121 C125 120.9(2) . . ?
C121 C122 H122 118.9 . . ?
C121 C122 C123 122.18(19) . . ?
C123 C122 H122 118.9 . . ?
C118 C123 C126 121.41(17) . . ?
C122 C123 C118 120.47(19) . . ?
C122 C123 C126 118.11(18) . . ?
C119 C124 H12A 109.5 . . ?
C119 C124 H12B 109.5 . . ?
C119 C124 H12C 109.5 . . ?
H12A C124 H12B 109.5 . . ?
H12A C124 H12C 109.5 . . ?
H12B C124 H12C 109.5 . . ?
C121 C125 H12D 109.5 . . ?
C121 C125 H12E 109.5 . . ?
C121 C125 H12F 109.5 . . ?
H12D C125 H12E 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?
C123 C126 H12G 109.5 . . ?
C123 C126 H12H 109.5 . . ?
C123 C126 H12I 109.5 . . ?
H12G C126 H12H 109.5 . . ?
H12G C126 H12I 109.5 . . ?
H12H C126 H12I 109.5 . . ?
P8 C127 K7 88.18(5) . . ?
C128 C127 K7 77.99(9) . . ?
C128 C127 P8 122.70(11) . . ?
C132 C127 K7 98.98(9) . . ?
C132 C127 P8 119.17(12) . . ?
C132 C127 C128 117.84(14) . . ?
C127 C128 K7 75.87(9) . . ?
C127 C128 C133 122.59(14) . . ?
C129 C128 K7 100.22(10) . . ?
C129 C128 C127 119.89(14) . . ?
C129 C128 C133 117.51(15) . . ?
C133 C128 K7 93.66(10) . . ?
C128 C129 H129 118.9 . . ?
C128 C129 C130 122.18(16) . . ?
C130 C129 H129 118.9 . . ?
C129 C130 C134 120.36(16) . . ?
C131 C130 C129 117.70(15) . . ?
C131 C130 C134 121.94(16) . . ?
C130 C131 H131 118.9 . . ?
C130 C131 C132 122.16(15) . . ?
C132 C131 H131 118.9 . . ?
C127 C132 C135 123.03(15) . . ?
C131 C132 C127 120.18(15) . . ?
C131 C132 C135 116.79(14) . . ?
C128 C133 H13A 109.5 . . ?
C128 C133 H13B 109.5 . . ?
C128 C133 H13C 109.5 . . ?
H13A C133 H13B 109.5 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
C130 C134 H13D 109.5 . . ?
C130 C134 H13E 109.5 . . ?
C130 C134 H13F 109.5 . . ?
H13D C134 H13E 109.5 . . ?
H13D C134 H13F 109.5 . . ?
H13E C134 H13F 109.5 . . ?
C132 C135 H13G 109.5 . . ?
C132 C135 H13H 109.5 . . ?
C132 C135 H13I 109.5 . . ?
H13G C135 H13H 109.5 . . ?
H13G C135 H13I 109.5 . . ?
H13H C135 H13I 109.5 . . ?
C137 C136 P8 126.11(12) . . ?
C137 C136 C141 117.05(14) . . ?
C141 C136 P8 116.65(12) . . ?
C136 C137 C142 123.25(14) . . ?
C138 C137 C136 120.05(15) . . ?
C138 C137 C142 116.68(15) . . ?
C137 C138 H138 118.6 . . ?
C139 C138 C137 122.83(16) . . ?
C139 C138 H138 118.6 . . ?
C138 C139 C140 117.00(16) . . ?
C138 C139 C143 120.79(18) . . ?
C140 C139 C143 122.21(18) . . ?
C139 C140 H140 118.8 . . ?
C139 C140 C141 122.38(17) . . ?
C141 C140 H140 118.8 . . ?
C136 C141 C144 122.18(15) . . ?
C140 C141 C136 120.42(16) . . ?
C140 C141 C144 117.39(16) . . ?
C137 C142 H14A 109.5 . . ?
C137 C142 H14B 109.5 . . ?
C137 C142 H14C 109.5 . . ?
H14A C142 H14B 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C139 C143 H14D 109.5 . . ?
C139 C143 H14E 109.5 . . ?
C139 C143 H14F 109.5 . . ?
H14D C143 H14E 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C141 C144 H14G 109.5 . . ?
C141 C144 H14H 109.5 . . ?
C141 C144 H14I 109.5 . . ?
H14G C144 H14H 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K1 P2 3.0995(6) . ?
K1 P3 3.1892(6) . ?
K1 O1 2.6494(12) . ?
K1 O2 2.7460(12) . ?
K1 O3 2.9134(13) . ?
K1 C75 3.503(2) . ?
K2 P1 3.1883(6) . ?
K2 P4 3.2469(7) . ?
K2 O1 2.7652(12) . ?
K2 O2 2.6359(12) . ?
K2 O4 2.8498(14) . ?
K2 C93 3.5308(19) . ?
K3 P1 3.5111(6) . ?
K3 P3 3.6093(6) . ?
K3 O1 2.6634(12) . ?
K3 O3 2.6609(13) . ?
K3 O4 2.6815(13) . ?
K3 C10 3.0995(17) . ?
K3 C11 3.4895(18) . ?
K3 C15 3.2270(17) . ?
K3 C37 3.2172(18) . ?
K3 C42 3.1708(19) . ?
K4 P2 3.4222(6) . ?
K4 P4 3.5732(6) . ?
K4 O2 2.7146(12) . ?
K4 O3 2.6119(12) . ?
K4 O4 2.5860(13) . ?
K4 C28 3.0027(16) . ?
K4 C29 3.1457(17) . ?
K4 C33 3.3443(17) . ?
K4 C55 3.2967(19) . ?
K4 C56 3.2583(19) . ?
K5 P5 3.1498(6) . ?
K5 P7 3.2033(6) . ?
K5 O5 2.7560(12) . ?
K5 O6 2.6498(11) . ?
K5 O7 2.7509(12) . ?
K5 C2 3.4977(16) . ?
K5 C3 3.2461(17) . ?
K6 P6 3.1443(6) . ?
K6 P8 3.3130(6) . ?
K6 O5 2.6383(11) . ?
K6 O6 2.8071(12) . ?
K6 O8 2.7197(12) . ?
K7 P5 3.5629(6) . ?
K7 P8 3.5979(6) . ?
K7 O5 2.6725(12) . ?
K7 O7 2.6123(11) . ?
K7 O8 2.7372(12) . ?
K7 C82 3.2543(15) . ?
K7 C87 3.3749(15) . ?
K7 C127 3.1296(15) . ?
K7 C128 3.1565(16) . ?
K8 P6 3.5695(6) . ?
K8 P7 3.5409(6) . ?
K8 O6 2.6220(12) . ?
K8 O7 2.7876(12) . ?
K8 O8 2.6236(12) . ?
K8 C100 3.3136(16) . ?
K8 C109 3.0447(16) . ?
K8 C110 3.3050(18) . ?
K8 C113 3.4098(17) . ?
K8 C114 3.1321(17) . ?
P1 O1 1.5703(12) . ?
P1 C1 1.8525(17) . ?
P1 C10 1.8766(16) . ?
P2 O2 1.5684(12) . ?
P2 C19 1.8462(17) . ?
P2 C28 1.8714(17) . ?
P3 O3 1.5691(13) . ?
P3 C37 1.8718(18) . ?
P3 C46 1.8597(19) . ?
P4 O4 1.5650(13) . ?
P4 C55 1.885(2) . ?
P4 C64 1.8723(19) . ?
P5 O5 1.5698(11) . ?
P5 C73 1.8691(16) . ?
P5 C82 1.8706(16) . ?
P6 O6 1.5700(12) . ?
P6 C91 1.8598(16) . ?
P6 C100 1.8758(16) . ?
P7 O7 1.5640(11) . ?
P7 C109 1.8796(16) . ?
P7 C118 1.8658(17) . ?
P8 O8 1.5725(12) . ?
P8 C127 1.8774(16) . ?
P8 C136 1.8704(16) . ?
C1 C2 1.412(2) . ?
C1 C6 1.414(2) . ?
C2 C3 1.395(2) . ?
C2 C7 1.509(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.392(3) . ?
C4 C5 1.387(3) . ?
C4 C8 1.513(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.398(3) . ?
C6 C9 1.505(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.419(2) . ?
C10 C15 1.413(2) . ?
C11 C12 1.393(2) . ?
C11 C16 1.506(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.387(3) . ?
C13 C14 1.389(3) . ?
C13 C17 1.508(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.394(2) . ?
C15 C18 1.518(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.406(3) . ?
C19 C24 1.415(3) . ?
C20 C21 1.397(3) . ?
C20 C25 1.497(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.378(4) . ?
C22 C23 1.380(4) . ?
C22 C26 1.516(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.391(3) . ?
C24 C27 1.506(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.412(2) . ?
C28 C33 1.410(2) . ?
C29 C30 1.403(3) . ?
C29 C34 1.508(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.377(3) . ?
C31 C32 1.390(3) . ?
C31 C35 1.516(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.393(3) . ?
C33 C36 1.504(3) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.418(3) . ?
C37 C42 1.407(3) . ?
C38 C39 1.396(3) . ?
C38 C43 1.506(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.379(3) . ?
C40 C41 1.378(3) . ?
C40 C44 1.521(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.404(3) . ?
C42 C45 1.503(3) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.408(3) . ?
C46 C51 1.424(3) . ?
C47 C48 1.393(3) . ?
C47 C52 1.508(3) . ?
C48 H48 0.9500 . ?
C48 C49 1.384(4) . ?
C49 C50 1.380(4) . ?
C49 C53 1.506(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.388(3) . ?
C51 C54 1.503(3) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.411(3) . ?
C55 C60 1.415(3) . ?
C56 C57 1.389(3) . ?
C56 C61 1.506(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.391(4) . ?
C58 C59 1.381(4) . ?
C58 C62 1.520(3) . ?
C59 H59 0.9500 . ?
C59 C60 1.399(3) . ?
C60 C63 1.503(3) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C65 1.402(3) . ?
C64 C69 1.427(3) . ?
C65 C66 1.404(3) . ?
C65 C70 1.512(3) . ?
C66 H66 0.9500 . ?
C66 C67 1.383(3) . ?
C67 C68 1.369(4) . ?
C67 C71 1.512(3) . ?
C68 H68 0.9500 . ?
C68 C69 1.393(3) . ?
C69 C72 1.502(3) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.411(2) . ?
C73 C78 1.415(2) . ?
C74 C75 1.400(2) . ?
C74 C79 1.511(3) . ?
C75 H75 0.9500 . ?
C75 C76 1.385(3) . ?
C76 C77 1.380(3) . ?
C76 C80 1.513(3) . ?
C77 H77 0.9500 . ?
C77 C78 1.399(2) . ?
C78 C81 1.500(3) . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 C83 1.409(2) . ?
C82 C87 1.411(2) . ?
C83 C84 1.397(2) . ?
C83 C88 1.514(3) . ?
C84 H84 0.9500 . ?
C84 C85 1.385(3) . ?
C85 C86 1.388(3) . ?
C85 C89 1.511(2) . ?
C86 H86 0.9500 . ?
C86 C87 1.394(2) . ?
C87 C90 1.508(2) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C92 1.412(2) . ?
C91 C96 1.418(2) . ?
C92 C93 1.398(2) . ?
C92 C97 1.513(3) . ?
C93 H93 0.9500 . ?
C93 C94 1.388(3) . ?
C94 C95 1.384(3) . ?
C94 C98 1.512(3) . ?
C95 H95 0.9500 . ?
C95 C96 1.396(2) . ?
C96 C99 1.505(2) . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C101 1.418(2) . ?
C100 C105 1.412(2) . ?
C101 C102 1.392(2) . ?
C101 C106 1.512(2) . ?
C102 H102 0.9500 . ?
C102 C103 1.382(3) . ?
C103 C104 1.390(3) . ?
C103 C107 1.512(3) . ?
C104 H104 0.9500 . ?
C104 C105 1.391(2) . ?
C105 C108 1.510(2) . ?
C106 H10A 0.9800 . ?
C106 H10B 0.9800 . ?
C106 H10C 0.9800 . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C109 C110 1.410(2) . ?
C109 C114 1.416(2) . ?
C110 C111 1.392(3) . ?
C110 C115 1.512(3) . ?
C111 H111 0.9500 . ?
C111 C112 1.381(3) . ?
C112 C113 1.391(3) . ?
C112 C116 1.510(3) . ?
C113 H113 0.9500 . ?
C113 C114 1.387(2) . ?
C114 C117 1.509(2) . ?
C115 H11A 0.9800 . ?
C115 H11B 0.9800 . ?
C115 H11C 0.9800 . ?
C116 H11D 0.9800 . ?
C116 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C117 H11G 0.9800 . ?
C117 H11H 0.9800 . ?
C117 H11I 0.9800 . ?
C118 C119 1.413(2) . ?
C118 C123 1.413(2) . ?
C119 C120 1.396(2) . ?
C119 C124 1.501(3) . ?
C120 H120 0.9500 . ?
C120 C121 1.382(3) . ?
C121 C122 1.384(3) . ?
C121 C125 1.514(3) . ?
C122 H122 0.9500 . ?
C122 C123 1.390(3) . ?
C123 C126 1.508(3) . ?
C124 H12A 0.9800 . ?
C124 H12B 0.9800 . ?
C124 H12C 0.9800 . ?
C125 H12D 0.9800 . ?
C125 H12E 0.9800 . ?
C125 H12F 0.9800 . ?
C126 H12G 0.9800 . ?
C126 H12H 0.9800 . ?
C126 H12I 0.9800 . ?
C127 C128 1.422(2) . ?
C127 C132 1.411(2) . ?
C128 C129 1.392(2) . ?
C128 C133 1.505(2) . ?
C129 H129 0.9500 . ?
C129 C130 1.395(2) . ?
C130 C131 1.381(2) . ?
C130 C134 1.508(2) . ?
C131 H131 0.9500 . ?
C131 C132 1.399(2) . ?
C132 C135 1.512(2) . ?
C133 H13A 0.9800 . ?
C133 H13B 0.9800 . ?
C133 H13C 0.9800 . ?
C134 H13D 0.9800 . ?
C134 H13E 0.9800 . ?
C134 H13F 0.9800 . ?
C135 H13G 0.9800 . ?
C135 H13H 0.9800 . ?
C135 H13I 0.9800 . ?
C136 C137 1.412(2) . ?
C136 C141 1.416(2) . ?
C137 C138 1.392(2) . ?
C137 C142 1.511(2) . ?
C138 H138 0.9500 . ?
C138 C139 1.382(3) . ?
C139 C140 1.382(3) . ?
C139 C143 1.511(3) . ?
C140 H140 0.9500 . ?
C140 C141 1.390(2) . ?
C141 C144 1.509(2) . ?
C142 H14A 0.9800 . ?
C142 H14B 0.9800 . ?
C142 H14C 0.9800 . ?
C143 H14D 0.9800 . ?
C143 H14E 0.9800 . ?
C143 H14F 0.9800 . ?
C144 H14G 0.9800 . ?
C144 H14H 0.9800 . ?
C144 H14I 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
K1 P2 O2 K2 81.8(2) . . . . ?
K1 P2 O2 K4 -94.39(4) . . . . ?
K1 P2 C19 C20 -57.78(18) . . . . ?
K1 P2 C19 C24 108.19(13) . . . . ?
K1 P2 C28 K4 35.19(7) . . . . ?
K1 P2 C28 C29 -44.23(15) . . . . ?
K1 P2 C28 C33 123.88(13) . . . . ?
K1 P3 O3 K3 -81.51(5) . . . . ?
K1 P3 O3 K4 88.02(14) . . . . ?
K1 P3 C37 K3 55.59(4) . . . . ?
K1 P3 C37 C38 -49.90(14) . . . . ?
K1 P3 C37 C42 125.32(15) . . . . ?
K1 P3 C46 C47 -67.0(3) . . . . ?
K1 P3 C46 C51 107.84(19) . . . . ?
K1 C75 C76 C77 -94.37(16) . . . . ?
K1 C75 C76 C80 86.36(18) . . . . ?
K2 P1 O1 K1 89.7(2) . . . . ?
K2 P1 O1 K3 -94.56(5) . . . . ?
K2 P1 C1 C2 -59.06(16) . . . . ?
K2 P1 C1 C6 113.32(12) . . . . ?
K2 P1 C10 K3 42.42(6) . . . . ?
K2 P1 C10 C11 134.07(13) . . . . ?
K2 P1 C10 C15 -36.91(14) . . . . ?
K2 P4 O4 K3 93.30(14) . . . . ?
K2 P4 O4 K4 -91.33(6) . . . . ?
K2 P4 C55 K4 56.13(5) . . . . ?
K2 P4 C55 C56 123.50(15) . . . . ?
K2 P4 C55 C60 -54.67(15) . . . . ?
K2 P4 C64 C65 -61.1(2) . . . . ?
K2 P4 C64 C69 108.52(16) . . . . ?
K2 C93 C94 C95 -87.68(15) . . . . ?
K2 C93 C94 C98 92.99(17) . . . . ?
K3 P1 O1 K1 -175.8(3) . . . . ?
K3 P1 O1 K2 94.56(5) . . . . ?
K3 P1 C1 C2 57.00(16) . . . . ?
K3 P1 C1 C6 -130.62(10) . . . . ?
K3 P1 C10 C11 91.65(14) . . . . ?
K3 P1 C10 C15 -79.33(12) . . . . ?
K3 P3 O3 K1 81.51(5) . . . . ?
K3 P3 O3 K4 169.53(19) . . . . ?
K3 P3 C37 C38 -105.49(14) . . . . ?
K3 P3 C37 C42 69.73(15) . . . . ?
K3 P3 C46 C47 57.20(18) . . . . ?
K3 P3 C46 C51 -127.91(12) . . . . ?
K3 C10 C11 C12 -80.62(16) . . . . ?
K3 C10 C11 C16 98.76(16) . . . . ?
K3 C10 C15 C14 86.37(16) . . . . ?
K3 C10 C15 C18 -92.69(16) . . . . ?
K3 C11 C12 C13 -60.36(19) . . . . ?
K3 C37 C38 C39 83.44(17) . . . . ?
K3 C37 C38 C43 -99.16(17) . . . . ?
K3 C37 C42 C41 -101.27(17) . . . . ?
K3 C37 C42 C45 78.83(18) . . . . ?
K4 P2 O2 K1 94.39(4) . . . . ?
K4 P2 O2 K2 176.2(3) . . . . ?
K4 P2 C19 C20 64.8(2) . . . . ?
K4 P2 C19 C24 -129.23(12) . . . . ?
K4 P2 C28 C29 -79.42(12) . . . . ?
K4 P2 C28 C33 88.69(14) . . . . ?
K4 P4 O4 K2 91.33(6) . . . . ?
K4 P4 O4 K3 -175.37(19) . . . . ?
K4 P4 C55 C56 67.37(15) . . . . ?
K4 P4 C55 C60 -110.80(15) . . . . ?
K4 P4 C64 C65 49.29(19) . . . . ?
K4 P4 C64 C69 -141.11(12) . . . . ?
K4 C28 C29 C30 86.59(15) . . . . ?
K4 C28 C29 C34 -90.86(15) . . . . ?
K4 C28 C33 C32 -81.61(16) . . . . ?
K4 C28 C33 C36 96.30(16) . . . . ?
K4 C29 C30 C31 71.65(19) . . . . ?
K4 C55 C56 C57 -109.12(17) . . . . ?
K4 C55 C56 C61 71.82(17) . . . . ?
K4 C55 C60 C59 89.6(2) . . . . ?
K4 C55 C60 C63 -89.9(2) . . . . ?
K4 C56 C57 C58 -92.8(2) . . . . ?
K5 P5 O5 K6 -91.7(2) . . . . ?
K5 P5 O5 K7 95.69(5) . . . . ?
K5 P5 C73 C74 55.15(18) . . . . ?
K5 P5 C73 C78 -114.41(11) . . . . ?
K5 P5 C82 K7 -44.95(5) . . . . ?
K5 P5 C82 C83 55.07(14) . . . . ?
K5 P5 C82 C87 -121.75(11) . . . . ?
K5 P7 O7 K7 -117.9(2) . . . . ?
K5 P7 O7 K8 86.80(4) . . . . ?
K5 P7 C109 K8 -33.95(6) . . . . ?
K5 P7 C109 C110 52.76(14) . . . . ?
K5 P7 C109 C114 -111.63(13) . . . . ?
K5 P7 C118 C119 56.94(18) . . . . ?
K5 P7 C118 C123 -111.64(12) . . . . ?
K5 C2 C3 C4 96.27(16) . . . . ?
K5 C3 C4 C5 91.22(15) . . . . ?
K5 C3 C4 C8 -89.50(16) . . . . ?
K6 P6 O6 K5 -84.23(15) . . . . ?
K6 P6 O6 K8 89.31(5) . . . . ?
K6 P6 C91 C92 71.91(18) . . . . ?
K6 P6 C91 C96 -100.75(12) . . . . ?
K6 P6 C100 K8 -48.88(5) . . . . ?
K6 P6 C100 C101 42.18(14) . . . . ?
K6 P6 C100 C105 -132.30(13) . . . . ?
K6 P8 O8 K7 87.40(5) . . . . ?
K6 P8 O8 K8 -113.22(17) . . . . ?
K6 P8 C127 K7 -38.63(5) . . . . ?
K6 P8 C127 C128 -113.10(12) . . . . ?
K6 P8 C127 C132 60.64(13) . . . . ?
K6 P8 C136 C137 43.57(19) . . . . ?
K6 P8 C136 C141 -131.15(11) . . . . ?
K7 P5 O5 K5 -95.69(5) . . . . ?
K7 P5 O5 K6 172.6(2) . . . . ?
K7 P5 C73 C74 -58.73(17) . . . . ?
K7 P5 C73 C78 131.71(11) . . . . ?
K7 P5 C82 C83 100.02(13) . . . . ?
K7 P5 C82 C87 -76.80(12) . . . . ?
K7 P8 O8 K6 -87.40(5) . . . . ?
K7 P8 O8 K8 159.4(2) . . . . ?
K7 P8 C127 C128 -74.46(12) . . . . ?
K7 P8 C127 C132 99.27(12) . . . . ?
K7 P8 C136 C137 -62.30(16) . . . . ?
K7 P8 C136 C141 122.98(11) . . . . ?
K7 C82 C83 C84 -90.50(15) . . . . ?
K7 C82 C83 C88 88.70(17) . . . . ?
K7 C82 C87 C86 100.68(14) . . . . ?
K7 C82 C87 C90 -79.72(14) . . . . ?
K7 C127 C128 C129 93.81(14) . . . . ?
K7 C127 C128 C133 -85.26(15) . . . . ?
K7 C127 C132 C131 -82.77(15) . . . . ?
K7 C127 C132 C135 98.09(14) . . . . ?
K7 C128 C129 C130 80.90(17) . . . . ?
K8 P6 O6 K5 -173.54(19) . . . . ?
K8 P6 O6 K6 -89.31(5) . . . . ?
K8 P6 C91 C92 -42.78(18) . . . . ?
K8 P6 C91 C96 144.56(10) . . . . ?
K8 P6 C100 C101 91.06(12) . . . . ?
K8 P6 C100 C105 -83.42(14) . . . . ?
K8 P7 O7 K5 -86.80(4) . . . . ?
K8 P7 O7 K7 155.3(2) . . . . ?
K8 P7 C109 C110 86.71(13) . . . . ?
K8 P7 C109 C114 -77.68(13) . . . . ?
K8 P7 C118 C119 -62.18(17) . . . . ?
K8 P7 C118 C123 129.24(11) . . . . ?
K8 C100 C101 C102 -91.53(15) . . . . ?
K8 C100 C101 C106 87.58(15) . . . . ?
K8 C100 C105 C104 95.77(16) . . . . ?
K8 C100 C105 C108 -84.39(17) . . . . ?
K8 C109 C110 C111 -74.48(17) . . . . ?
K8 C109 C110 C115 106.66(17) . . . . ?
K8 C109 C114 C113 79.15(15) . . . . ?
K8 C109 C114 C117 -99.50(15) . . . . ?
K8 C110 C111 C112 -63.62(19) . . . . ?
K8 C113 C114 C109 -70.20(14) . . . . ?
K8 C113 C114 C117 108.50(15) . . . . ?
P1 C1 C2 K5 101.51(12) . . . . ?
P1 C1 C2 C3 175.71(12) . . . . ?
P1 C1 C2 C7 -6.1(2) . . . . ?
P1 C1 C6 C5 -175.91(12) . . . . ?
P1 C1 C6 C9 5.0(2) . . . . ?
P1 C10 C11 K3 -87.74(12) . . . . ?
P1 C10 C11 C12 -168.36(14) . . . . ?
P1 C10 C11 C16 11.0(2) . . . . ?
P1 C10 C15 K3 81.71(9) . . . . ?
P1 C10 C15 C14 168.08(14) . . . . ?
P1 C10 C15 C18 -11.0(2) . . . . ?
P2 C19 C20 C21 166.91(15) . . . . ?
P2 C19 C20 C25 -10.9(3) . . . . ?
P2 C19 C24 C23 -168.90(16) . . . . ?
P2 C19 C24 C27 9.4(2) . . . . ?
P2 C28 C29 K4 81.51(9) . . . . ?
P2 C28 C29 C30 168.10(13) . . . . ?
P2 C28 C29 C34 -9.3(2) . . . . ?
P2 C28 C33 K4 -85.86(11) . . . . ?
P2 C28 C33 C32 -167.46(14) . . . . ?
P2 C28 C33 C36 10.4(2) . . . . ?
P3 C37 C38 C39 177.30(14) . . . . ?
P3 C37 C38 C43 -5.3(2) . . . . ?
P3 C37 C42 K3 -75.22(12) . . . . ?
P3 C37 C42 C41 -176.49(14) . . . . ?
P3 C37 C42 C45 3.6(3) . . . . ?
P3 C46 C47 C48 178.66(16) . . . . ?
P3 C46 C47 C52 -0.1(3) . . . . ?
P3 C46 C51 C50 179.83(15) . . . . ?
P3 C46 C51 C54 -1.6(2) . . . . ?
P4 C55 C56 K4 -70.50(13) . . . . ?
P4 C55 C56 C57 -179.62(15) . . . . ?
P4 C55 C56 C61 1.3(3) . . . . ?
P4 C55 C60 C59 -177.48(16) . . . . ?
P4 C55 C60 C63 3.0(3) . . . . ?
P4 C64 C65 C66 169.24(15) . . . . ?
P4 C64 C65 C70 -11.5(3) . . . . ?
P4 C64 C69 C68 -170.39(14) . . . . ?
P4 C64 C69 C72 9.9(2) . . . . ?
P5 C73 C74 C75 -170.59(14) . . . . ?
P5 C73 C74 C79 9.2(3) . . . . ?
P5 C73 C78 C77 170.89(13) . . . . ?
P5 C73 C78 C81 -8.8(2) . . . . ?
P5 C82 C83 C84 -179.53(12) . . . . ?
P5 C82 C83 C88 -0.3(2) . . . . ?
P5 C82 C87 K7 77.27(10) . . . . ?
P5 C82 C87 C86 177.95(12) . . . . ?
P5 C82 C87 C90 -2.4(2) . . . . ?
P6 C91 C92 C93 -174.06(13) . . . . ?
P6 C91 C92 C97 8.0(3) . . . . ?
P6 C91 C96 C95 174.87(13) . . . . ?
P6 C91 C96 C99 -6.5(2) . . . . ?
P6 C100 C101 C102 -174.73(13) . . . . ?
P6 C100 C101 C106 4.4(2) . . . . ?
P6 C100 C105 C104 175.34(14) . . . . ?
P6 C100 C105 C108 -4.8(2) . . . . ?
P7 C109 C110 K8 -87.24(10) . . . . ?
P7 C109 C110 C111 -161.73(15) . . . . ?
P7 C109 C110 C115 19.4(2) . . . . ?
P7 C109 C114 K8 82.36(11) . . . . ?
P7 C109 C114 C113 161.51(13) . . . . ?
P7 C109 C114 C117 -17.1(2) . . . . ?
P7 C118 C119 C120 -168.04(13) . . . . ?
P7 C118 C119 C124 12.0(2) . . . . ?
P7 C118 C123 C122 170.41(15) . . . . ?
P7 C118 C123 C126 -8.6(2) . . . . ?
P8 C127 C128 K7 79.91(10) . . . . ?
P8 C127 C128 C129 173.71(12) . . . . ?
P8 C127 C128 C133 -5.3(2) . . . . ?
P8 C127 C132 C131 -175.71(12) . . . . ?
P8 C127 C132 C135 5.1(2) . . . . ?
P8 C136 C137 C138 -179.22(13) . . . . ?
P8 C136 C137 C142 2.3(2) . . . . ?
P8 C136 C141 C140 -179.82(14) . . . . ?
P8 C136 C141 C144 -0.9(2) . . . . ?
O1 P1 C1 C2 9.29(16) . . . . ?
O1 P1 C1 C6 -178.33(11) . . . . ?
O1 P1 C10 K3 -20.30(6) . . . . ?
O1 P1 C10 C11 71.36(15) . . . . ?
O1 P1 C10 C15 -99.63(13) . . . . ?
O2 P2 C19 C20 13.00(18) . . . . ?
O2 P2 C19 C24 178.97(13) . . . . ?
O2 P2 C28 K4 -29.42(6) . . . . ?
O2 P2 C28 C29 -108.84(13) . . . . ?
O2 P2 C28 C33 59.27(15) . . . . ?
O3 P3 C37 K3 -11.76(7) . . . . ?
O3 P3 C37 C38 -117.24(14) . . . . ?
O3 P3 C37 C42 57.98(17) . . . . ?
O3 P3 C46 C47 11.50(18) . . . . ?
O3 P3 C46 C51 -173.61(12) . . . . ?
O4 P4 C55 K4 -8.37(7) . . . . ?
O4 P4 C55 C56 59.01(17) . . . . ?
O4 P4 C55 C60 -119.17(15) . . . . ?
O4 P4 C64 C65 6.37(19) . . . . ?
O4 P4 C64 C69 175.97(13) . . . . ?
O5 P5 C73 C74 -13.86(17) . . . . ?
O5 P5 C73 C78 176.58(11) . . . . ?
O5 P5 C82 K7 19.87(6) . . . . ?
O5 P5 C82 C83 119.89(12) . . . . ?
O5 P5 C82 C87 -56.93(14) . . . . ?
O6 P6 C91 C92 -0.68(17) . . . . ?
O6 P6 C91 C96 -173.33(11) . . . . ?
O6 P6 C100 K8 18.19(6) . . . . ?
O6 P6 C100 C101 109.25(13) . . . . ?
O6 P6 C100 C105 -65.23(15) . . . . ?
O7 P7 C109 K8 26.88(6) . . . . ?
O7 P7 C109 C110 113.59(13) . . . . ?
O7 P7 C109 C114 -50.80(14) . . . . ?
O7 P7 C118 C119 -10.69(16) . . . . ?
O7 P7 C118 C123 -179.27(12) . . . . ?
O8 P8 C127 K7 17.87(6) . . . . ?
O8 P8 C127 C128 -56.60(14) . . . . ?
O8 P8 C127 C132 117.14(12) . . . . ?
O8 P8 C136 C137 -13.44(16) . . . . ?
O8 P8 C136 C141 171.84(12) . . . . ?
C1 P1 O1 K1 -42.8(2) . . . . ?
C1 P1 O1 K2 -132.43(6) . . . . ?
C1 P1 O1 K3 133.01(6) . . . . ?
C1 P1 C10 K3 -135.29(6) . . . . ?
C1 P1 C10 C11 -43.64(16) . . . . ?
C1 P1 C10 C15 145.38(13) . . . . ?
C1 C2 C3 K5 -97.93(14) . . . . ?
C1 C2 C3 C4 -1.7(2) . . . . ?
C2 C1 C6 C5 -2.9(2) . . . . ?
C2 C1 C6 C9 177.95(15) . . . . ?
C2 C3 C4 C5 -0.8(2) . . . . ?
C2 C3 C4 C8 178.48(17) . . . . ?
C3 C4 C5 C6 1.4(3) . . . . ?
C4 C5 C6 C1 0.5(3) . . . . ?
C4 C5 C6 C9 179.66(16) . . . . ?
C6 C1 C2 K5 -70.72(15) . . . . ?
C6 C1 C2 C3 3.5(2) . . . . ?
C6 C1 C2 C7 -178.34(15) . . . . ?
C7 C2 C3 K5 83.79(13) . . . . ?
C7 C2 C3 C4 -179.93(16) . . . . ?
C8 C4 C5 C6 -177.91(17) . . . . ?
C10 P1 O1 K1 -150.5(2) . . . . ?
C10 P1 O1 K2 119.83(6) . . . . ?
C10 P1 O1 K3 25.26(8) . . . . ?
C10 P1 C1 C2 118.13(14) . . . . ?
C10 P1 C1 C6 -69.50(13) . . . . ?
C10 C11 C12 C13 1.2(3) . . . . ?
C11 C10 C15 K3 -89.99(14) . . . . ?
C11 C10 C15 C14 -3.6(2) . . . . ?
C11 C10 C15 C18 177.32(16) . . . . ?
C11 C12 C13 C14 -3.6(3) . . . . ?
C11 C12 C13 C17 175.1(2) . . . . ?
C12 C13 C14 C15 2.4(3) . . . . ?
C13 C14 C15 K3 73.87(19) . . . . ?
C13 C14 C15 C10 1.2(3) . . . . ?
C13 C14 C15 C18 -179.70(18) . . . . ?
C15 C10 C11 K3 83.08(14) . . . . ?
C15 C10 C11 C12 2.5(2) . . . . ?
C15 C10 C11 C16 -178.16(16) . . . . ?
C16 C11 C12 C13 -178.22(18) . . . . ?
C17 C13 C14 C15 -176.3(2) . . . . ?
C19 P2 O2 K1 -122.25(6) . . . . ?
C19 P2 O2 K2 -40.4(3) . . . . ?
C19 P2 O2 K4 143.36(6) . . . . ?
C19 P2 C28 K4 -145.33(6) . . . . ?
C19 P2 C28 C29 135.25(13) . . . . ?
C19 P2 C28 C33 -56.64(15) . . . . ?
C19 C20 C21 C22 -0.3(3) . . . . ?
C20 C19 C24 C23 -2.0(3) . . . . ?
C20 C19 C24 C27 176.37(18) . . . . ?
C20 C21 C22 C23 0.0(3) . . . . ?
C20 C21 C22 C26 179.8(2) . . . . ?
C21 C22 C23 C24 -0.7(3) . . . . ?
C22 C23 C24 C19 1.7(3) . . . . ?
C22 C23 C24 C27 -176.7(2) . . . . ?
C24 C19 C20 C21 1.3(3) . . . . ?
C24 C19 C20 C25 -176.5(2) . . . . ?
C25 C20 C21 C22 177.6(2) . . . . ?
C26 C22 C23 C24 179.5(2) . . . . ?
C28 P2 O2 K1 128.14(6) . . . . ?
C28 P2 O2 K2 -150.1(2) . . . . ?
C28 P2 O2 K4 33.76(7) . . . . ?
C28 P2 C19 C20 122.72(16) . . . . ?
C28 P2 C19 C24 -71.30(15) . . . . ?
C28 C29 C30 C31 -0.3(3) . . . . ?
C29 C28 C33 K4 82.07(14) . . . . ?
C29 C28 C33 C32 0.5(2) . . . . ?
C29 C28 C33 C36 178.37(16) . . . . ?
C29 C30 C31 C32 1.4(3) . . . . ?
C29 C30 C31 C35 -177.6(2) . . . . ?
C30 C31 C32 C33 -1.7(3) . . . . ?
C31 C32 C33 K4 -62.5(2) . . . . ?
C31 C32 C33 C28 0.8(3) . . . . ?
C31 C32 C33 C36 -177.23(18) . . . . ?
C33 C28 C29 K4 -87.30(14) . . . . ?
C33 C28 C29 C30 -0.7(2) . . . . ?
C33 C28 C29 C34 -178.17(15) . . . . ?
C34 C29 C30 C31 177.32(18) . . . . ?
C35 C31 C32 C33 177.3(2) . . . . ?
C37 P3 O3 K1 97.20(7) . . . . ?
C37 P3 O3 K3 15.69(9) . . . . ?
C37 P3 O3 K4 -174.78(14) . . . . ?
C37 P3 C46 C47 119.76(16) . . . . ?
C37 P3 C46 C51 -65.35(15) . . . . ?
C37 C38 C39 C40 -0.3(3) . . . . ?
C38 C37 C42 K3 99.98(15) . . . . ?
C38 C37 C42 C41 -1.3(3) . . . . ?
C38 C37 C42 C45 178.81(18) . . . . ?
C38 C39 C40 C41 -1.8(3) . . . . ?
C38 C39 C40 C44 176.19(18) . . . . ?
C39 C40 C41 C42 2.4(3) . . . . ?
C40 C41 C42 K3 -86.6(2) . . . . ?
C40 C41 C42 C37 -0.9(3) . . . . ?
C40 C41 C42 C45 179.04(19) . . . . ?
C42 C37 C38 C39 1.8(3) . . . . ?
C42 C37 C38 C43 179.24(17) . . . . ?
C43 C38 C39 C40 -177.86(18) . . . . ?
C44 C40 C41 C42 -175.57(19) . . . . ?
C46 P3 O3 K1 -157.36(6) . . . . ?
C46 P3 O3 K3 121.13(7) . . . . ?
C46 P3 O3 K4 -69.34(16) . . . . ?
C46 P3 C37 K3 -126.89(7) . . . . ?
C46 P3 C37 C38 127.62(14) . . . . ?
C46 P3 C37 C42 -57.16(17) . . . . ?
C46 C47 C48 C49 -0.4(3) . . . . ?
C47 C46 C51 C50 -4.9(3) . . . . ?
C47 C46 C51 C54 173.68(17) . . . . ?
C47 C48 C49 C50 -2.2(4) . . . . ?
C47 C48 C49 C53 -179.2(2) . . . . ?
C48 C49 C50 C51 1.2(3) . . . . ?
C49 C50 C51 C46 2.3(3) . . . . ?
C49 C50 C51 C54 -176.3(2) . . . . ?
C51 C46 C47 C48 3.9(3) . . . . ?
C51 C46 C47 C52 -174.85(18) . . . . ?
C52 C47 C48 C49 178.4(2) . . . . ?
C53 C49 C50 C51 178.2(2) . . . . ?
C55 P4 O4 K2 103.20(7) . . . . ?
C55 P4 O4 K3 -163.50(14) . . . . ?
C55 P4 O4 K4 11.87(10) . . . . ?
C55 P4 C64 C65 117.54(17) . . . . ?
C55 P4 C64 C69 -72.86(15) . . . . ?
C55 C56 C57 C58 -2.9(3) . . . . ?
C56 C55 C60 C59 4.2(3) . . . . ?
C56 C55 C60 C63 -175.29(19) . . . . ?
C56 C57 C58 C59 4.3(3) . . . . ?
C56 C57 C58 C62 -175.0(2) . . . . ?
C57 C58 C59 C60 -1.4(3) . . . . ?
C58 C59 C60 C55 -2.9(3) . . . . ?
C58 C59 C60 C63 176.7(2) . . . . ?
C60 C55 C56 K4 107.67(16) . . . . ?
C60 C55 C56 C57 -1.4(3) . . . . ?
C60 C55 C56 C61 179.50(18) . . . . ?
C61 C56 C57 C58 176.19(19) . . . . ?
C62 C58 C59 C60 177.9(2) . . . . ?
C64 P4 O4 K2 -148.87(6) . . . . ?
C64 P4 O4 K3 -55.57(16) . . . . ?
C64 P4 O4 K4 119.80(8) . . . . ?
C64 P4 C55 K4 -123.16(7) . . . . ?
C64 P4 C55 C56 -55.78(17) . . . . ?
C64 P4 C55 C60 126.04(15) . . . . ?
C64 C65 C66 C67 0.0(3) . . . . ?
C65 C64 C69 C68 0.2(3) . . . . ?
C65 C64 C69 C72 -179.51(19) . . . . ?
C65 C66 C67 C68 -0.1(3) . . . . ?
C65 C66 C67 C71 178.24(19) . . . . ?
C66 C67 C68 C69 0.2(3) . . . . ?
C67 C68 C69 C64 -0.3(3) . . . . ?
C67 C68 C69 C72 179.4(2) . . . . ?
C69 C64 C65 C66 0.0(3) . . . . ?
C69 C64 C65 C70 179.21(19) . . . . ?
C70 C65 C66 C67 -179.31(19) . . . . ?
C71 C67 C68 C69 -178.10(19) . . . . ?
C73 P5 O5 K5 129.95(6) . . . . ?
C73 P5 O5 K6 38.2(2) . . . . ?
C73 P5 O5 K7 -134.36(6) . . . . ?
C73 P5 C82 K7 134.74(6) . . . . ?
C73 P5 C82 C83 -125.24(13) . . . . ?
C73 P5 C82 C87 57.94(14) . . . . ?
C73 C74 C75 K1 94.34(16) . . . . ?
C73 C74 C75 C76 0.7(3) . . . . ?
C74 C73 C78 C77 0.6(2) . . . . ?
C74 C73 C78 C81 -179.11(16) . . . . ?
C74 C75 C76 C77 0.3(3) . . . . ?
C74 C75 C76 C80 -178.99(19) . . . . ?
C75 C76 C77 C78 -0.8(3) . . . . ?
C76 C77 C78 C73 0.4(3) . . . . ?
C76 C77 C78 C81 -179.90(17) . . . . ?
C78 C73 C74 C75 -1.1(3) . . . . ?
C78 C73 C74 C79 178.67(18) . . . . ?
C79 C74 C75 K1 -85.44(17) . . . . ?
C79 C74 C75 C76 -179.09(19) . . . . ?
C80 C76 C77 C78 178.44(18) . . . . ?
C82 P5 O5 K5 -121.93(6) . . . . ?
C82 P5 O5 K6 146.34(19) . . . . ?
C82 P5 O5 K7 -26.24(8) . . . . ?
C82 P5 C73 C74 -124.50(15) . . . . ?
C82 P5 C73 C78 65.95(13) . . . . ?
C82 C83 C84 C85 1.7(3) . . . . ?
C83 C82 C87 K7 -99.56(13) . . . . ?
C83 C82 C87 C86 1.1(2) . . . . ?
C83 C82 C87 C90 -179.28(15) . . . . ?
C83 C84 C85 C86 0.7(3) . . . . ?
C83 C84 C85 C89 -177.80(17) . . . . ?
C84 C85 C86 C87 -2.2(2) . . . . ?
C85 C86 C87 K7 81.31(17) . . . . ?
C85 C86 C87 C82 1.3(2) . . . . ?
C85 C86 C87 C90 -178.28(15) . . . . ?
C87 C82 C83 C84 -2.6(2) . . . . ?
C87 C82 C83 C88 176.62(16) . . . . ?
C88 C83 C84 C85 -177.54(17) . . . . ?
C89 C85 C86 C87 176.26(16) . . . . ?
C91 P6 O6 K5 51.83(17) . . . . ?
C91 P6 O6 K6 136.06(6) . . . . ?
C91 P6 O6 K8 -134.63(7) . . . . ?
C91 P6 C100 K8 133.84(6) . . . . ?
C91 P6 C100 C101 -135.10(13) . . . . ?
C91 P6 C100 C105 50.42(16) . . . . ?
C91 C92 C93 K2 83.19(15) . . . . ?
C91 C92 C93 C94 -0.1(3) . . . . ?
C92 C91 C96 C95 1.6(2) . . . . ?
C92 C91 C96 C99 -179.85(16) . . . . ?
C92 C93 C94 C95 1.8(3) . . . . ?
C92 C93 C94 C98 -177.57(18) . . . . ?
C93 C94 C95 C96 -1.8(3) . . . . ?
C94 C95 C96 C91 0.1(3) . . . . ?
C94 C95 C96 C99 -178.54(16) . . . . ?
C96 C91 C92 C93 -1.5(2) . . . . ?
C96 C91 C92 C97 -179.51(17) . . . . ?
C97 C92 C93 K2 -98.69(16) . . . . ?
C97 C92 C93 C94 178.01(18) . . . . ?
C98 C94 C95 C96 177.57(17) . . . . ?
C100 P6 O6 K5 161.06(14) . . . . ?
C100 P6 O6 K6 -114.71(6) . . . . ?
C100 P6 O6 K8 -25.40(8) . . . . ?
C100 P6 C91 C92 -111.78(15) . . . . ?
C100 P6 C91 C96 75.56(13) . . . . ?
C100 C101 C102 C103 -1.1(3) . . . . ?
C101 C100 C105 C104 0.9(2) . . . . ?
C101 C100 C105 C108 -179.26(16) . . . . ?
C101 C102 C103 C104 0.9(3) . . . . ?
C101 C102 C103 C107 -177.85(19) . . . . ?
C102 C103 C104 C105 0.2(3) . . . . ?
C103 C104 C105 C100 -1.1(3) . . . . ?
C103 C104 C105 C108 179.01(18) . . . . ?
C105 C100 C101 C102 0.2(2) . . . . ?
C105 C100 C101 C106 179.31(15) . . . . ?
C106 C101 C102 C103 179.69(17) . . . . ?
C107 C103 C104 C105 179.00(19) . . . . ?
C109 P7 O7 K5 -117.61(6) . . . . ?
C109 P7 O7 K7 124.5(2) . . . . ?
C109 P7 O7 K8 -30.81(7) . . . . ?
C109 P7 C118 C119 -118.77(14) . . . . ?
C109 P7 C118 C123 72.66(14) . . . . ?
C109 C110 C111 C112 -1.1(3) . . . . ?
C110 C109 C114 K8 -82.18(14) . . . . ?
C110 C109 C114 C113 -3.0(2) . . . . ?
C110 C109 C114 C117 178.32(16) . . . . ?
C110 C111 C112 C113 -1.3(3) . . . . ?
C110 C111 C112 C116 -179.9(2) . . . . ?
C111 C112 C113 K8 61.78(17) . . . . ?
C111 C112 C113 C114 1.4(3) . . . . ?
C112 C113 C114 K8 70.93(17) . . . . ?
C112 C113 C114 C109 0.7(3) . . . . ?
C112 C113 C114 C117 179.43(17) . . . . ?
C114 C109 C110 K8 77.70(13) . . . . ?
C114 C109 C110 C111 3.2(2) . . . . ?
C114 C109 C110 C115 -175.64(17) . . . . ?
C115 C110 C111 C112 177.82(19) . . . . ?
C116 C112 C113 K8 -119.56(18) . . . . ?
C116 C112 C113 C114 -179.89(19) . . . . ?
C118 P7 O7 K5 133.24(6) . . . . ?
C118 P7 O7 K7 15.3(2) . . . . ?
C118 P7 O7 K8 -139.97(6) . . . . ?
C118 P7 C109 K8 142.72(6) . . . . ?
C118 P7 C109 C110 -130.57(14) . . . . ?
C118 P7 C109 C114 65.04(15) . . . . ?
C118 C119 C120 C121 -1.0(3) . . . . ?
C119 C118 C123 C122 0.8(3) . . . . ?
C119 C118 C123 C126 -178.17(17) . . . . ?
C119 C120 C121 C122 0.5(3) . . . . ?
C119 C120 C121 C125 -179.82(18) . . . . ?
C120 C121 C122 C123 0.8(3) . . . . ?
C121 C122 C123 C118 -1.4(3) . . . . ?
C121 C122 C123 C126 177.62(19) . . . . ?
C123 C118 C119 C120 0.3(2) . . . . ?
C123 C118 C119 C124 -179.66(16) . . . . ?
C124 C119 C120 C121 178.99(17) . . . . ?
C125 C121 C122 C123 -178.97(19) . . . . ?
C127 P8 O8 K6 -109.35(6) . . . . ?
C127 P8 O8 K7 -21.94(7) . . . . ?
C127 P8 O8 K8 137.44(16) . . . . ?
C127 P8 C136 C137 -120.79(14) . . . . ?
C127 P8 C136 C141 64.49(14) . . . . ?
C127 C128 C129 C130 1.4(2) . . . . ?
C128 C127 C132 C131 -1.7(2) . . . . ?
C128 C127 C132 C135 179.18(14) . . . . ?
C128 C129 C130 C131 -0.9(3) . . . . ?
C128 C129 C130 C134 179.73(18) . . . . ?
C129 C130 C131 C132 -1.0(3) . . . . ?
C130 C131 C132 C127 2.3(2) . . . . ?
C130 C131 C132 C135 -178.54(16) . . . . ?
C132 C127 C128 K7 -93.91(13) . . . . ?
C132 C127 C128 C129 -0.1(2) . . . . ?
C132 C127 C128 C133 -179.16(15) . . . . ?
C133 C128 C129 C130 -179.48(16) . . . . ?
C134 C130 C131 C132 178.41(18) . . . . ?
C136 P8 O8 K6 145.56(6) . . . . ?
C136 P8 O8 K7 -127.04(6) . . . . ?
C136 P8 O8 K8 32.34(19) . . . . ?
C136 P8 C127 K7 132.12(6) . . . . ?
C136 P8 C127 C128 57.66(14) . . . . ?
C136 P8 C127 C132 -128.61(12) . . . . ?
C136 C137 C138 C139 0.2(3) . . . . ?
C137 C136 C141 C140 5.0(2) . . . . ?
C137 C136 C141 C144 -176.10(16) . . . . ?
C137 C138 C139 C140 3.7(3) . . . . ?
C137 C138 C139 C143 -175.46(19) . . . . ?
C138 C139 C140 C141 -3.2(3) . . . . ?
C139 C140 C141 C136 -1.1(3) . . . . ?
C139 C140 C141 C144 179.88(19) . . . . ?
C141 C136 C137 C138 -4.5(2) . . . . ?
C141 C136 C137 C142 177.02(15) . . . . ?
C142 C137 C138 C139 178.79(17) . . . . ?
C143 C139 C140 C141 175.9(2) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.035 0.101 0.098 9.6 0.0 ?
2 -0.500 0.000 0.000 1002.0 331.1 ?
3 -0.035 0.899 0.902 9.6 0.0 ?
4 0.105 0.118 0.569 8.0 0.0 ?
5 0.895 0.882 0.431 8.0 1.2 ?
