# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

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

data_exp_6605_auto
_database_code_depnum_ccdc_archive 'CCDC 2177150'
loop_
_audit_author_name
_audit_author_address
Lixiaonan
;Beijing Normal University
China
;
_audit_update_record             
;
2022-06-06 deposited with the CCDC.	2022-12-16 downloaded from the CCDC.
;
_audit_creation_date             2021-08-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H42'
_chemical_formula_sum            'C64 H42'
_chemical_formula_weight         810.97
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   15.6621(4)
_cell_length_b                   8.4566(2)
_cell_length_c                   20.4458(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.855(3)
_cell_angle_gamma                90
_cell_volume                     2562.69(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11602
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.2550
_cell_measurement_theta_min      4.2690
_shelx_estimated_absorpt_T_max   0.978
_shelx_estimated_absorpt_T_min   0.956
_exptl_absorpt_coefficient_mu    0.451
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull greenish green'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.051
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18008
_diffrn_reflns_point_group_measured_fraction_full 0.830
_diffrn_reflns_point_group_measured_fraction_max 0.829
_diffrn_reflns_theta_full        67.064
_diffrn_reflns_theta_max         67.064
_diffrn_reflns_theta_min         4.304
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     47.00 114.00   0.50    0.10    --   46.95  62.00 -92.00  134
  2  ω    138.00 163.00   0.50    0.39    --  104.75  62.00 -92.00   50
  3  ω     94.00 177.00   0.50    0.39    --  104.75  45.00-150.00  166
  4  ω    109.00 144.00   0.50    0.39    --  104.75  45.00-180.00   70
  5  ω     43.00  72.00   0.50    0.39    --  104.75 -61.00 -60.00   58
  6  ω     36.00 102.00   0.50    0.39    --  104.75 -77.00 120.00  132
  7  ω     42.00  69.00   0.50    0.39    --  104.75 -62.00 130.00   54
  8  ω    -25.00  48.00   0.50    0.10    --   46.95 -62.00 130.00  146
  9  ω     36.00  72.00   0.50    0.39    --  104.75 -61.00 -30.00   72
 10  ω     34.00  71.00   0.50    0.39    --  104.75 -61.00-180.00   74
 11  ω     67.00 112.00   0.50    0.39    --  104.75-125.00 120.00   90
 12  ω    -69.00 -35.00   0.50    0.39    -- -102.00  62.00 -92.00   68
 13  ω    -69.00 -44.00   0.50    0.39    -- -102.00  61.00-120.00   50
 14  ω    -63.00  26.00   0.50    0.10    --  -46.95  62.00 -92.00  178
 15  ω    -69.00 -44.00   0.50    0.39    -- -102.00  61.00  30.00   50
 16  ω    -67.00 -38.00   0.50    0.39    -- -102.00  61.00 120.00   58
 17  ω   -175.00 -94.00   0.50    0.39    -- -102.00 -30.00   0.00  162
 18  ω   -175.00 -86.00   0.50    0.39    -- -102.00 -62.00 130.00  178
 19  ω    -99.00 -74.00   0.50    0.10    --  -46.95 -62.00 130.00   50
 20  ω   -118.00 -72.00   0.50    0.10    --  -46.95-125.00 -90.00   92
 21  ω   -111.00 -75.00   0.50    0.10    --  -46.95-125.00-120.00   72
 22  ω   -117.00 -47.00   0.50    0.39    -- -102.00 125.00 -90.00  140
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0600107000
_diffrn_orient_matrix_UB_12      0.1257844000
_diffrn_orient_matrix_UB_13      0.0180048000
_diffrn_orient_matrix_UB_21      0.0779701000
_diffrn_orient_matrix_UB_22      0.0432703000
_diffrn_orient_matrix_UB_23      0.0657743000
_diffrn_orient_matrix_UB_31      0.0334774000
_diffrn_orient_matrix_UB_32      0.1245692000
_diffrn_orient_matrix_UB_33      -0.0410554000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.551
_reflns_Friedel_fraction_full    0.637
_reflns_Friedel_fraction_max     0.637
_reflns_number_gt                7151
_reflns_number_total             7607
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.332
_refine_diff_density_min         -0.235
_refine_diff_density_rms         0.052
_refine_ls_abs_structure_details 
;
 Flack x determined using 2404 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -5.2(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         7607
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0554
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1055P)²+0.6381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1557
_refine_ls_wR_factor_ref         0.1585
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C003(H003), C004(H004), C006(H006), C007(H007), C008(H008), C009(H009),
 C00A(H00A), C00B(H00B), C00C(H00C), C00E(H00E), C00G(H00G), C00K(H00K),
 C00L(H00L), C00M(H00M), C00O(H00O), C00S(H00S), C00T(H00T), C00U(H00U),
 C00W(H00W), C00X(H00X), C00Y(H00Y), C010(H010), C011(H011), C016(H016),
 C017(H017), C019(H019), C01A(H01A), C01B(H01B), C01C(H01C), C01E(H01E),
 C01F(H01F), C01G(H01G), C01H(H01H), C01J(H01J), C01K(H01K), C01L(H01L),
 C01N(H01N), C01O(H01O), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
C002 C -0.0607(2) -0.6468(5) -0.66664(18) 0.0336(7) Uani 1 1 d . . . . .
C003 C -0.9090(2) -0.6914(5) -0.93792(17) 0.0354(8) Uani 1 1 d . . . . .
H003 H -0.900853 -0.799332 -0.947351 0.042 Uiso 1 1 calc R U . . .
C004 C -0.8028(2) -1.0725(4) -0.59835(17) 0.0327(7) Uani 1 1 d . . . . .
H004 H -0.840527 -1.004794 -0.582635 0.039 Uiso 1 1 calc R U . . .
C005 C -0.8818(2) -0.9920(5) -0.72289(17) 0.0351(8) Uani 1 1 d . . . . .
C006 C -0.1030(2) -0.6840(5) -0.73658(17) 0.0360(8) Uani 1 1 d . . . . .
H006 H -0.114539 -0.791406 -0.750180 0.043 Uiso 1 1 calc R U . . .
C007 C -0.0542(2) -0.9299(4) -0.62390(17) 0.0339(7) Uani 1 1 d . . . . .
H007 H -0.028094 -0.965677 -0.657211 0.041 Uiso 1 1 calc R U . . .
C008 C -0.0844(2) -1.0391(5) -0.58716(18) 0.0388(8) Uani 1 1 d . . . . .
H008 H -0.079364 -1.148623 -0.595569 0.047 Uiso 1 1 calc R U . . .
C009 C -0.1159(2) -0.8328(4) -0.51891(16) 0.0310(7) Uani 1 1 d . . . . .
H009 H -0.131794 -0.799938 -0.479912 0.037 Uiso 1 1 calc R U . . .
C00A C -0.0339(2) -0.4867(5) -0.65126(17) 0.0356(8) Uani 1 1 d . . . . .
H00A H 0.000713 -0.458315 -0.605377 0.043 Uiso 1 1 calc R U . . .
C00B C -0.8850(2) -0.5761(5) -0.97546(16) 0.0350(7) Uani 1 1 d . . . . .
H00B H -0.859553 -0.606104 -1.009983 0.042 Uiso 1 1 calc R U . . .
C00C C -0.8811(2) -0.8328(5) -0.70876(17) 0.0363(8) Uani 1 1 d . . . . .
H00C H -0.860407 -0.797545 -0.662148 0.044 Uiso 1 1 calc R U . . .
C00D C -0.8450(3) -0.2955(5) -0.9873(2) 0.0441(9) Uani 1 1 d . . . . .
C00E C -0.2012(2) -1.0734(4) -0.45178(18) 0.0351(7) Uani 1 1 d . . . . .
H00E H -0.163374 -1.005527 -0.417535 0.042 Uiso 1 1 calc R U . . .
C00F C -0.4236(2) -1.2858(5) -0.48600(18) 0.0376(8) Uani 1 1 d . . . . .
C00G C -0.9540(2) -0.9326(5) -0.84388(18) 0.0369(8) Uani 1 1 d . . . . .
H00G H -0.982799 -0.968072 -0.889848 0.044 Uiso 1 1 calc R U . . .
C00H C -0.1227(2) -0.9906(5) -0.53699(17) 0.0334(7) Uani 1 1 d . . . . .
C00I C -0.9456(2) -0.6525(5) -0.88543(17) 0.0366(8) Uani 1 1 d . . . . .
C00J C -0.0606(2) -0.7663(5) -0.61397(17) 0.0344(8) Uani 1 1 d . . . . .
C00K C -0.9248(2) -1.0442(5) -0.79099(17) 0.0383(8) Uani 1 1 d . . . . .
H00K H -0.933854 -1.153929 -0.800830 0.046 Uiso 1 1 calc R U . . .
C00L C -0.2750(2) -1.1444(5) -0.44014(19) 0.0374(8) Uani 1 1 d . . . . .
H00L H -0.285986 -1.125500 -0.397742 0.045 Uiso 1 1 calc R U . . .
C00M C -0.6967(2) -1.2821(5) -0.64058(19) 0.0394(8) Uani 1 1 d . . . . .
H00M H -0.661920 -1.357629 -0.655314 0.047 Uiso 1 1 calc R U . . .
C00N C -0.9422(2) -0.7713(5) -0.83131(17) 0.0344(7) Uani 1 1 d . . . . .
C00O C -0.1280(2) -0.5666(5) -0.78559(16) 0.0352(7) Uani 1 1 d . . . . .
H00O H -0.158054 -0.595741 -0.832268 0.042 Uiso 1 1 calc R U . . .
C00P C -0.5806(2) -1.2841(5) -0.52413(18) 0.0383(8) Uani 1 1 d . . . . .
C00Q C -0.8237(2) -1.0997(4) -0.66967(17) 0.0330(7) Uani 1 1 d . . . . .
C00R C -0.1633(2) -0.2850(5) -0.81760(19) 0.0388(8) Uani 1 1 d . . . . .
C00S C -0.3930(2) -1.3809(5) -0.36496(18) 0.0407(8) Uani 1 1 d . . . . .
H00S H -0.330347 -1.372417 -0.358687 0.049 Uiso 1 1 calc R U . . .
C00T C -0.7702(3) -1.2160(5) -0.68820(19) 0.0398(8) Uani 1 1 d . . . . .
H00T H -0.786047 -1.248697 -0.735071 0.048 Uiso 1 1 calc R U . . .
C00U C -0.0863(2) -0.7205(5) -0.55665(16) 0.0358(7) Uani 1 1 d . . . . .
H00U H -0.083487 -0.612214 -0.543679 0.043 Uiso 1 1 calc R U . . .
C00V C -0.6715(2) -1.2416(4) -0.57109(18) 0.0371(8) Uani 1 1 d . . . . .
C00W C -0.0567(2) -0.3750(4) -0.70050(18) 0.0351(8) Uani 1 1 d . . . . .
H00W H -0.035446 -0.270255 -0.688565 0.042 Uiso 1 1 calc R U . . .
C00X C -0.7291(2) -1.1414(5) -0.55075(18) 0.0373(8) Uani 1 1 d . . . . .
H00X H -0.717142 -1.120188 -0.502989 0.045 Uiso 1 1 calc R U . . .
C00Y C -0.9103(2) -0.7224(5) -0.76219(17) 0.0373(8) Uani 1 1 d . . . . .
H00Y H -0.908605 -0.612905 -0.751512 0.045 Uiso 1 1 calc R U . . .
C00Z C -0.4496(2) -1.3349(5) -0.42943(18) 0.0377(8) Uani 1 1 d . . . . .
C010 C -0.9692(2) -0.4939(5) -0.88087(18) 0.0404(8) Uani 1 1 d . . . . .
H010 H -1.001600 -0.465652 -0.850525 0.049 Uiso 1 1 calc R U . . .
C011 C -0.2352(2) -1.2107(5) -0.55838(18) 0.0374(8) Uani 1 1 d . . . . .
H011 H -0.220151 -1.240581 -0.598081 0.045 Uiso 1 1 calc R U . . .
C012 C -0.5518(2) -1.3346(5) -0.45400(18) 0.0371(8) Uani 1 1 d . . . . .
C013 C -0.1815(2) -1.0999(4) -0.51312(17) 0.0328(7) Uani 1 1 d . . . . .
C014 C -0.3329(2) -1.2420(4) -0.48887(17) 0.0361(8) Uani 1 1 d . . . . .
C015 C -0.8967(2) -0.4137(5) -0.96463(18) 0.0378(8) Uani 1 1 d . . . . .
C016 C -0.3096(3) -1.2783(5) -0.5475(2) 0.0437(8) Uani 1 1 d . . . . .
H016 H -0.345579 -1.350935 -0.580411 0.052 Uiso 1 1 calc R U . . .
C017 C -0.6077(2) -1.3790(5) -0.41653(19) 0.0421(8) Uani 1 1 d . . . . .
H017 H -0.670516 -1.369496 -0.440352 0.051 Uiso 1 1 calc R U . . .
C018 C -0.1112(2) -0.4065(5) -0.76988(18) 0.0361(8) Uani 1 1 d . . . . .
C019 C -0.5018(2) -1.2597(5) -0.54180(18) 0.0394(8) Uani 1 1 d . . . . .
H019 H -0.501898 -1.228984 -0.586520 0.047 Uiso 1 1 calc R U . . .
C01A C -0.9463(2) -0.3788(5) -0.91954(18) 0.0410(8) Uani 1 1 d . . . . .
H01A H -0.964317 -0.272717 -0.915953 0.049 Uiso 1 1 calc R U . . .
C01B C -0.8063(2) -0.3227(5) -1.0399(2) 0.0433(9) Uani 1 1 d . . . . .
H01B H -0.831820 -0.400905 -1.074026 0.052 Uiso 1 1 calc R U . . .
C01C C -0.1988(2) -0.3125(5) -0.88934(19) 0.0420(9) Uani 1 1 d . . . . .
H01C H -0.171086 -0.388169 -0.910303 0.050 Uiso 1 1 calc R U . . .
C01D C -0.3146(3) -0.1131(5) -0.8997(3) 0.0553(11) Uani 1 1 d . . . . .
C01E C -0.2730(3) -0.2311(6) -0.9290(2) 0.0499(10) Uani 1 1 d . . . . .
H01E H -0.297191 -0.253672 -0.976958 0.060 Uiso 1 1 calc R U . . .
C01F C -0.1951(3) -0.1539(5) -0.7912(2) 0.0518(10) Uani 1 1 d . . . . .
H01F H -0.165762 -0.123322 -0.744604 0.062 Uiso 1 1 calc R U . . .
C01G C -0.5848(3) -1.4358(6) -0.34862(19) 0.0538(11) Uani 1 1 d . . . . .
H01G H -0.633832 -1.460810 -0.332706 0.065 Uiso 1 1 calc R U . . .
C01H C -0.7330(3) -0.2391(5) -1.0428(2) 0.0493(10) Uani 1 1 d . . . . .
H01H H -0.707383 -0.262195 -1.077997 0.059 Uiso 1 1 calc R U . . .
C01I C -0.6946(3) -0.1185(6) -0.9942(3) 0.0548(11) Uani 1 1 d . . . . .
C01J C -0.4138(3) -1.4379(6) -0.3077(2) 0.0545(11) Uani 1 1 d . . . . .
H01J H -0.363968 -1.464519 -0.268265 0.065 Uiso 1 1 calc R U . . .
C01K C -0.8168(3) -0.1567(6) -0.9472(3) 0.0559(11) Uani 1 1 d . . . . .
H01K H -0.849016 -0.121792 -0.917639 0.067 Uiso 1 1 calc R U . . .
C01L C -0.4989(3) -1.4600(7) -0.3017(2) 0.0562(12) Uani 1 1 d . . . . .
H01L H -0.498334 -1.498316 -0.257848 0.067 Uiso 1 1 calc R U . . .
C01N C -0.2681(3) -0.0674(6) -0.8311(3) 0.0562(11) Uani 1 1 d . . . . .
H01N H -0.287150 0.023430 -0.812152 0.067 Uiso 1 1 calc R U . . .
C01O C -0.7436(3) -0.0723(7) -0.9506(3) 0.0635(12) Uani 1 1 d . . . . .
H01O H -0.725510 0.019542 -0.922816 0.076 Uiso 1 1 calc R U . . .
C01P C -0.4085(3) -0.0650(6) -0.9326(3) 0.0657(14) Uani 1 1 d . . . . .
C01R C -0.6000(3) -0.0677(6) -0.9805(3) 0.0614(12) Uani 1 1 d . . . . .
C01T C -0.4552(3) -0.1051(10) -0.9983(3) 0.088(2) Uani 1 1 d . . . . .
H01T H -0.423438 -0.133917 -1.029007 0.105 Uiso 1 1 calc R U . . .
C01U C -0.5519(3) -0.1051(10) -1.0227(3) 0.091(2) Uani 1 1 d . . . . .
H01U H -0.582946 -0.131990 -1.069523 0.109 Uiso 1 1 calc R U . . .
C01V C -0.5526(3) 0.0007(8) -0.9167(4) 0.092(2) Uani 1 1 d . . . . .
H01V H -0.584744 0.044837 -0.888818 0.111 Uiso 1 1 calc R U . . .
C01W C -0.4583(3) 0.0044(8) -0.8937(4) 0.097(2) Uani 1 1 d . . . . .
H01W H -0.427240 0.054643 -0.851045 0.116 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C002 C006 1.404(5) . ?
C002 C00A 1.423(5) . ?
C002 C00J 1.476(5) . ?
C003 H003 0.9500 . ?
C003 C00B 1.367(5) . ?
C003 C00I 1.410(5) . ?
C004 H004 0.9500 . ?
C004 C00Q 1.406(5) . ?
C004 C00X 1.376(5) . ?
C005 C00C 1.376(6) . ?
C005 C00K 1.408(5) . ?
C005 C00Q 1.484(5) . ?
C006 H006 0.9500 . ?
C006 C00O 1.374(5) . ?
C007 H007 0.9500 . ?
C007 C008 1.367(5) . ?
C007 C00J 1.407(5) . ?
C008 H008 0.9500 . ?
C008 C00H 1.407(5) . ?
C009 H009 0.9500 . ?
C009 C00H 1.380(5) . ?
C009 C00U 1.394(5) . ?
C00A H00A 0.9500 . ?
C00A C00W 1.342(5) . ?
C00B H00B 0.9500 . ?
C00B C015 1.412(6) . ?
C00C H00C 0.9500 . ?
C00C C00Y 1.397(5) . ?
C00D C015 1.453(6) . ?
C00D C01B 1.414(6) . ?
C00D C01K 1.419(6) . ?
C00E H00E 0.9500 . ?
C00E C00L 1.390(5) . ?
C00E C013 1.403(5) . ?
C00F C00Z 1.407(5) . ?
C00F C014 1.488(5) . ?
C00F C019 1.395(5) . ?
C00G H00G 0.9500 . ?
C00G C00K 1.396(5) . ?
C00G C00N 1.390(6) . ?
C00H C013 1.494(5) . ?
C00I C00N 1.483(5) . ?
C00I C010 1.403(6) . ?
C00J C00U 1.411(5) . ?
C00K H00K 0.9500 . ?
C00L H00L 0.9500 . ?
C00L C014 1.382(5) . ?
C00M H00M 0.9500 . ?
C00M C00T 1.364(5) . ?
C00M C00V 1.389(5) . ?
C00N C00Y 1.400(5) . ?
C00O H00O 0.9500 . ?
C00O C018 1.397(6) . ?
C00P C00V 1.482(5) . ?
C00P C012 1.423(5) . ?
C00P C019 1.408(5) . ?
C00Q C00T 1.421(5) . ?
C00R C018 1.469(6) . ?
C00R C01C 1.410(5) . ?
C00R C01F 1.394(6) . ?
C00S H00S 0.9500 . ?
C00S C00Z 1.386(5) . ?
C00S C01J 1.399(5) . ?
C00T H00T 0.9500 . ?
C00U H00U 0.9500 . ?
C00V C00X 1.396(5) . ?
C00W H00W 0.9500 . ?
C00W C018 1.425(5) . ?
C00X H00X 0.9500 . ?
C00Y H00Y 0.9500 . ?
C00Z C012 1.515(5) . ?
C010 H010 0.9500 . ?
C010 C01A 1.373(6) . ?
C011 H011 0.9500 . ?
C011 C013 1.392(5) . ?
C011 C016 1.380(5) . ?
C012 C017 1.388(5) . ?
C014 C016 1.395(5) . ?
C015 C01A 1.416(5) . ?
C016 H016 0.9500 . ?
C017 H017 0.9500 . ?
C017 C01G 1.402(6) . ?
C019 H019 0.9500 . ?
C01A H01A 0.9500 . ?
C01B H01B 0.9500 . ?
C01B C01H 1.366(6) . ?
C01C H01C 0.9500 . ?
C01C C01E 1.367(6) . ?
C01D C01E 1.426(7) . ?
C01D C01N 1.410(7) . ?
C01D C01P 1.463(6) . ?
C01E H01E 0.9500 . ?
C01F H01F 0.9500 . ?
C01F C01N 1.380(6) . ?
C01G H01G 0.9500 . ?
C01G C01L 1.392(6) . ?
C01H H01H 0.9500 . ?
C01H C01I 1.416(7) . ?
C01I C01O 1.406(7) . ?
C01I C01R 1.480(6) . ?
C01J H01J 0.9500 . ?
C01J C01L 1.390(6) . ?
C01K H01K 0.9500 . ?
C01K C01O 1.372(7) . ?
C01L H01L 0.9500 . ?
C01N H01N 0.9500 . ?
C01O H01O 0.9500 . ?
C01P C01T 1.350(8) . ?
C01P C01W 1.410(9) . ?
C01R C01U 1.353(8) . ?
C01R C01V 1.402(9) . ?
C01T H01T 0.9500 . ?
C01T C01U 1.434(6) . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C01V C01W 1.398(7) . ?
C01W H01W 0.9500 . ?

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
C006 C002 C00A 116.6(3) . . ?
C006 C002 C00J 118.6(3) . . ?
C00A C002 C00J 124.0(3) . . ?
C00B C003 H003 119.5 . . ?
C00B C003 C00I 121.0(4) . . ?
C00I C003 H003 119.5 . . ?
C00Q C004 H004 119.2 . . ?
C00X C004 H004 119.2 . . ?
C00X C004 C00Q 121.7(3) . . ?
C00C C005 C00K 118.9(4) . . ?
C00C C005 C00Q 119.0(3) . . ?
C00K C005 C00Q 121.1(4) . . ?
C002 C006 H006 119.7 . . ?
C00O C006 C002 120.7(4) . . ?
C00O C006 H006 119.7 . . ?
C008 C007 H007 118.9 . . ?
C008 C007 C00J 122.1(3) . . ?
C00J C007 H007 118.9 . . ?
C007 C008 H008 119.7 . . ?
C007 C008 C00H 120.6(4) . . ?
C00H C008 H008 119.7 . . ?
C00H C009 H009 119.3 . . ?
C00H C009 C00U 121.4(3) . . ?
C00U C009 H009 119.3 . . ?
C002 C00A H00A 119.5 . . ?
C00W C00A C002 121.1(3) . . ?
C00W C00A H00A 119.5 . . ?
C003 C00B H00B 118.9 . . ?
C003 C00B C015 122.2(3) . . ?
C015 C00B H00B 118.9 . . ?
C005 C00C H00C 119.6 . . ?
C005 C00C C00Y 120.7(3) . . ?
C00Y C00C H00C 119.6 . . ?
C01B C00D C015 123.4(4) . . ?
C01B C00D C01K 116.4(4) . . ?
C01K C00D C015 119.0(4) . . ?
C00L C00E H00E 119.4 . . ?
C00L C00E C013 121.3(3) . . ?
C013 C00E H00E 119.4 . . ?
C00Z C00F C014 129.7(3) . . ?
C019 C00F C00Z 108.0(3) . . ?
C019 C00F C014 121.7(3) . . ?
C00K C00G H00G 119.0 . . ?
C00N C00G H00G 119.0 . . ?
C00N C00G C00K 122.0(3) . . ?
C008 C00H C013 120.7(3) . . ?
C009 C00H C008 117.6(3) . . ?
C009 C00H C013 120.9(3) . . ?
C003 C00I C00N 119.0(3) . . ?
C010 C00I C003 117.0(4) . . ?
C010 C00I C00N 123.0(3) . . ?
C007 C00J C002 123.5(3) . . ?
C007 C00J C00U 116.3(3) . . ?
C00U C00J C002 119.0(3) . . ?
C005 C00K H00K 120.5 . . ?
C00G C00K C005 119.1(4) . . ?
C00G C00K H00K 120.5 . . ?
C00E C00L H00L 119.3 . . ?
C014 C00L C00E 121.5(3) . . ?
C014 C00L H00L 119.3 . . ?
C00T C00M H00M 119.2 . . ?
C00T C00M C00V 121.7(3) . . ?
C00V C00M H00M 119.2 . . ?
C00G C00N C00I 123.8(3) . . ?
C00G C00N C00Y 117.3(3) . . ?
C00Y C00N C00I 117.9(3) . . ?
C006 C00O H00O 118.5 . . ?
C006 C00O C018 123.0(3) . . ?
C018 C00O H00O 118.5 . . ?
C012 C00P C00V 130.6(3) . . ?
C019 C00P C00V 122.5(3) . . ?
C019 C00P C012 106.5(3) . . ?
C004 C00Q C005 122.8(3) . . ?
C004 C00Q C00T 115.5(3) . . ?
C00T C00Q C005 120.3(3) . . ?
C01C C00R C018 121.6(4) . . ?
C01F C00R C018 119.3(3) . . ?
C01F C00R C01C 117.6(4) . . ?
C00Z C00S H00S 115.0 . . ?
C00Z C00S C01J 130.0(4) . . ?
C01J C00S H00S 115.0 . . ?
C00M C00T C00Q 121.8(3) . . ?
C00M C00T H00T 119.1 . . ?
C00Q C00T H00T 119.1 . . ?
C009 C00U C00J 120.5(4) . . ?
C009 C00U H00U 119.7 . . ?
C00J C00U H00U 119.7 . . ?
C00M C00V C00P 120.0(3) . . ?
C00M C00V C00X 117.2(3) . . ?
C00X C00V C00P 122.2(3) . . ?
C00A C00W H00W 118.5 . . ?
C00A C00W C018 123.0(3) . . ?
C018 C00W H00W 118.5 . . ?
C004 C00X C00V 121.4(3) . . ?
C004 C00X H00X 119.3 . . ?
C00V C00X H00X 119.3 . . ?
C00C C00Y C00N 120.8(4) . . ?
C00C C00Y H00Y 119.6 . . ?
C00N C00Y H00Y 119.6 . . ?
C00F C00Z C012 106.4(3) . . ?
C00S C00Z C00F 126.8(3) . . ?
C00S C00Z C012 126.8(3) . . ?
C00I C010 H010 119.5 . . ?
C01A C010 C00I 121.1(3) . . ?
C01A C010 H010 119.5 . . ?
C013 C011 H011 118.9 . . ?
C016 C011 H011 118.9 . . ?
C016 C011 C013 122.2(3) . . ?
C00P C012 C00Z 107.0(3) . . ?
C017 C012 C00P 125.9(3) . . ?
C017 C012 C00Z 127.1(3) . . ?
C00E C013 C00H 122.0(3) . . ?
C011 C013 C00E 116.2(3) . . ?
C011 C013 C00H 120.2(3) . . ?
C00L C014 C00F 122.1(3) . . ?
C00L C014 C016 117.3(3) . . ?
C016 C014 C00F 119.8(3) . . ?
C00B C015 C00D 120.3(3) . . ?
C00B C015 C01A 115.6(4) . . ?
C01A C015 C00D 123.0(4) . . ?
C011 C016 C014 121.1(4) . . ?
C011 C016 H016 119.5 . . ?
C014 C016 H016 119.5 . . ?
C012 C017 H017 115.3 . . ?
C012 C017 C01G 129.3(3) . . ?
C01G C017 H017 115.3 . . ?
C00O C018 C00R 120.2(3) . . ?
C00O C018 C00W 114.7(3) . . ?
C00W C018 C00R 123.8(4) . . ?
C00F C019 C00P 112.2(3) . . ?
C00F C019 H019 123.9 . . ?
C00P C019 H019 123.9 . . ?
C010 C01A C015 121.8(4) . . ?
C010 C01A H01A 119.1 . . ?
C015 C01A H01A 119.1 . . ?
C00D C01B H01B 119.3 . . ?
C01H C01B C00D 121.4(4) . . ?
C01H C01B H01B 119.3 . . ?
C00R C01C H01C 119.7 . . ?
C01E C01C C00R 120.5(4) . . ?
C01E C01C H01C 119.7 . . ?
C01E C01D C01P 122.0(5) . . ?
C01N C01D C01E 116.8(4) . . ?
C01N C01D C01P 120.1(5) . . ?
C01C C01E C01D 121.3(4) . . ?
C01C C01E H01E 119.4 . . ?
C01D C01E H01E 119.4 . . ?
C00R C01F H01F 119.2 . . ?
C01N C01F C00R 121.6(4) . . ?
C01N C01F H01F 119.2 . . ?
C017 C01G H01G 116.1 . . ?
C01L C01G C017 127.9(4) . . ?
C01L C01G H01G 116.1 . . ?
C01B C01H H01H 119.5 . . ?
C01B C01H C01I 121.0(4) . . ?
C01I C01H H01H 119.5 . . ?
C01H C01I C01R 120.9(4) . . ?
C01O C01I C01H 116.8(4) . . ?
C01O C01I C01R 121.2(5) . . ?
C00S C01J H01J 116.2 . . ?
C01L C01J C00S 127.6(4) . . ?
C01L C01J H01J 116.2 . . ?
C00D C01K H01K 119.7 . . ?
C01O C01K C00D 120.6(4) . . ?
C01O C01K H01K 119.7 . . ?
C01G C01L H01L 114.4 . . ?
C01J C01L C01G 131.3(4) . . ?
C01J C01L H01L 114.4 . . ?
C01D C01N H01N 119.8 . . ?
C01F C01N C01D 120.3(4) . . ?
C01F C01N H01N 119.8 . . ?
C01I C01O H01O 119.2 . . ?
C01K C01O C01I 121.6(5) . . ?
C01K C01O H01O 119.2 . . ?
C01T C01P C01D 122.0(5) . . ?
C01T C01P C01W 116.4(4) . . ?
C01W C01P C01D 120.9(5) . . ?
C01U C01R C01I 122.8(5) . . ?
C01U C01R C01V 117.0(5) . . ?
C01V C01R C01I 119.5(5) . . ?
C01P C01T H01T 119.4 . . ?
C01P C01T C01U 121.3(5) . . ?
C01U C01T H01T 119.4 . . ?
C01R C01U C01T 121.4(5) . . ?
C01R C01U H01U 119.3 . . ?
C01T C01U H01U 119.3 . . ?
C01R C01V H01V 119.8 . . ?
C01W C01V C01R 120.5(6) . . ?
C01W C01V H01V 119.8 . . ?
C01P C01W H01W 119.4 . . ?
C01V C01W C01P 121.2(6) . . ?
C01V C01W H01W 119.4 . . ?

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
C002 C006 C00O C018 1.8(5) . . . . ?
C002 C00A C00W C018 2.5(5) . . . . ?
C002 C00J C00U C009 158.6(3) . . . . ?
C003 C00B C015 C00D 159.4(3) . . . . ?
C003 C00B C015 C01A -8.6(5) . . . . ?
C003 C00I C00N C00G -37.4(5) . . . . ?
C003 C00I C00N C00Y 131.3(3) . . . . ?
C003 C00I C010 C01A -8.6(5) . . . . ?
C004 C00Q C00T C00M -7.7(5) . . . . ?
C005 C00C C00Y C00N 0.8(5) . . . . ?
C005 C00Q C00T C00M 159.0(4) . . . . ?
C006 C002 C00A C00W 6.8(5) . . . . ?
C006 C002 C00J C007 35.1(5) . . . . ?
C006 C002 C00J C00U -131.4(3) . . . . ?
C006 C00O C018 C00R -160.1(3) . . . . ?
C006 C00O C018 C00W 7.2(5) . . . . ?
C007 C008 C00H C009 -9.8(5) . . . . ?
C007 C008 C00H C013 160.2(3) . . . . ?
C007 C00J C00U C009 -8.9(5) . . . . ?
C008 C007 C00J C002 -157.0(3) . . . . ?
C008 C007 C00J C00U 9.8(5) . . . . ?
C008 C00H C013 C00E 162.9(3) . . . . ?
C008 C00H C013 C011 -32.1(5) . . . . ?
C009 C00H C013 C00E -27.4(5) . . . . ?
C009 C00H C013 C011 137.6(3) . . . . ?
C00A C002 C006 C00O -8.8(5) . . . . ?
C00A C002 C00J C007 -155.7(3) . . . . ?
C00A C002 C00J C00U 37.8(5) . . . . ?
C00A C00W C018 C00O -9.3(5) . . . . ?
C00A C00W C018 C00R 157.4(3) . . . . ?
C00B C003 C00I C00N -159.6(3) . . . . ?
C00B C003 C00I C010 9.7(5) . . . . ?
C00B C015 C01A C010 9.7(5) . . . . ?
C00C C005 C00K C00G 9.1(5) . . . . ?
C00C C005 C00Q C004 31.9(5) . . . . ?
C00C C005 C00Q C00T -133.8(4) . . . . ?
C00D C015 C01A C010 -158.0(4) . . . . ?
C00D C01B C01H C01I -1.8(6) . . . . ?
C00D C01K C01O C01I 0.8(7) . . . . ?
C00E C00L C014 C00F -164.1(3) . . . . ?
C00E C00L C014 C016 5.9(5) . . . . ?
C00F C00Z C012 C00P -0.3(4) . . . . ?
C00F C00Z C012 C017 178.1(4) . . . . ?
C00F C014 C016 C011 165.8(4) . . . . ?
C00G C00N C00Y C00C 7.8(5) . . . . ?
C00H C009 C00U C00J -1.3(5) . . . . ?
C00I C003 C00B C015 -1.0(5) . . . . ?
C00I C00N C00Y C00C -161.6(3) . . . . ?
C00I C010 C01A C015 -1.2(6) . . . . ?
C00J C002 C006 C00O 161.2(3) . . . . ?
C00J C002 C00A C00W -162.7(3) . . . . ?
C00J C007 C008 C00H -0.5(5) . . . . ?
C00K C005 C00C C00Y -9.4(5) . . . . ?
C00K C005 C00Q C004 -159.4(3) . . . . ?
C00K C005 C00Q C00T 34.9(5) . . . . ?
C00K C00G C00N C00I 160.6(3) . . . . ?
C00K C00G C00N C00Y -8.1(5) . . . . ?
C00L C00E C013 C00H 160.4(3) . . . . ?
C00L C00E C013 C011 -5.2(5) . . . . ?
C00L C014 C016 C011 -4.4(6) . . . . ?
C00M C00V C00X C004 -6.5(5) . . . . ?
C00N C00G C00K C005 -0.3(5) . . . . ?
C00N C00I C010 C01A 160.3(3) . . . . ?
C00P C00V C00X C004 164.0(3) . . . . ?
C00P C012 C017 C01G 177.2(4) . . . . ?
C00Q C004 C00X C00V 0.0(5) . . . . ?
C00Q C005 C00C C00Y 159.6(3) . . . . ?
C00Q C005 C00K C00G -159.6(3) . . . . ?
C00R C01C C01E C01D 2.0(6) . . . . ?
C00R C01F C01N C01D 2.0(7) . . . . ?
C00S C00Z C012 C00P -177.9(4) . . . . ?
C00S C00Z C012 C017 0.5(7) . . . . ?
C00S C01J C01L C01G 1.1(10) . . . . ?
C00T C00M C00V C00P -165.0(4) . . . . ?
C00T C00M C00V C00X 5.7(6) . . . . ?
C00U C009 C00H C008 10.7(5) . . . . ?
C00U C009 C00H C013 -159.3(3) . . . . ?
C00V C00M C00T C00Q 1.5(6) . . . . ?
C00V C00P C012 C00Z -170.9(4) . . . . ?
C00V C00P C012 C017 10.7(7) . . . . ?
C00V C00P C019 C00F 170.9(3) . . . . ?
C00X C004 C00Q C005 -159.4(3) . . . . ?
C00X C004 C00Q C00T 6.9(5) . . . . ?
C00Z C00F C014 C00L -45.0(6) . . . . ?
C00Z C00F C014 C016 145.3(4) . . . . ?
C00Z C00F C019 C00P 2.2(5) . . . . ?
C00Z C00S C01J C01L -1.1(9) . . . . ?
C00Z C012 C017 C01G -0.9(7) . . . . ?
C010 C00I C00N C00G 154.0(4) . . . . ?
C010 C00I C00N C00Y -37.4(5) . . . . ?
C012 C00P C00V C00M -142.9(4) . . . . ?
C012 C00P C00V C00X 46.9(6) . . . . ?
C012 C00P C019 C00F -2.4(5) . . . . ?
C012 C017 C01G C01L 0.7(9) . . . . ?
C013 C00E C00L C014 -1.1(5) . . . . ?
C013 C011 C016 C014 -2.0(6) . . . . ?
C014 C00F C00Z C00S -12.5(7) . . . . ?
C014 C00F C00Z C012 170.0(4) . . . . ?
C014 C00F C019 C00P -169.7(3) . . . . ?
C015 C00D C01B C01H -154.9(4) . . . . ?
C015 C00D C01K C01O 156.1(4) . . . . ?
C016 C011 C013 C00E 6.7(5) . . . . ?
C016 C011 C013 C00H -159.2(4) . . . . ?
C017 C01G C01L C01J -0.7(10) . . . . ?
C018 C00R C01C C01E 154.5(4) . . . . ?
C018 C00R C01F C01N -156.7(4) . . . . ?
C019 C00F C00Z C00S 176.5(4) . . . . ?
C019 C00F C00Z C012 -1.1(4) . . . . ?
C019 C00F C014 C00L 125.0(4) . . . . ?
C019 C00F C014 C016 -44.7(5) . . . . ?
C019 C00P C00V C00M 45.6(5) . . . . ?
C019 C00P C00V C00X -124.6(4) . . . . ?
C019 C00P C012 C00Z 1.6(4) . . . . ?
C019 C00P C012 C017 -176.8(4) . . . . ?
C01B C00D C015 C00B 22.6(5) . . . . ?
C01B C00D C015 C01A -170.3(3) . . . . ?
C01B C00D C01K C01O -12.4(6) . . . . ?
C01B C01H C01I C01O -10.0(6) . . . . ?
C01B C01H C01I C01R 158.0(4) . . . . ?
C01C C00R C018 C00O -29.1(5) . . . . ?
C01C C00R C018 C00W 164.9(3) . . . . ?
C01C C00R C01F C01N 9.7(6) . . . . ?
C01D C01P C01T C01U 159.0(6) . . . . ?
C01D C01P C01W C01V -157.4(6) . . . . ?
C01E C01D C01N C01F -11.5(6) . . . . ?
C01E C01D C01P C01T -13.4(7) . . . . ?
C01E C01D C01P C01W 156.7(5) . . . . ?
C01F C00R C018 C00O 136.8(4) . . . . ?
C01F C00R C018 C00W -29.2(5) . . . . ?
C01F C00R C01C C01E -11.7(5) . . . . ?
C01H C01I C01O C01K 10.5(7) . . . . ?
C01H C01I C01R C01U 15.0(7) . . . . ?
C01H C01I C01R C01V -154.8(5) . . . . ?
C01I C01R C01U C01T -157.8(6) . . . . ?
C01I C01R C01V C01W 159.9(6) . . . . ?
C01J C00S C00Z C00F -176.6(5) . . . . ?
C01J C00S C00Z C012 0.4(7) . . . . ?
C01K C00D C015 C00B -145.0(4) . . . . ?
C01K C00D C015 C01A 22.1(5) . . . . ?
C01K C00D C01B C01H 13.0(6) . . . . ?
C01N C01D C01E C01C 9.5(6) . . . . ?
C01N C01D C01P C01T 179.5(5) . . . . ?
C01N C01D C01P C01W -10.5(7) . . . . ?
C01O C01I C01R C01U -177.6(5) . . . . ?
C01O C01I C01R C01V 12.6(7) . . . . ?
C01P C01D C01E C01C -158.0(4) . . . . ?
C01P C01D C01N C01F 156.3(4) . . . . ?
C01P C01T C01U C01R -1.2(10) . . . . ?
C01R C01I C01O C01K -157.4(5) . . . . ?
C01R C01V C01W C01P -2.3(11) . . . . ?
C01T C01P C01W C01V 13.2(10) . . . . ?
C01U C01R C01V C01W -10.5(10) . . . . ?
C01V C01R C01U C01T 12.3(9) . . . . ?
C01W C01P C01T C01U -11.5(9) . . . . ?

_smtbx_masks_special_details     ?
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 0.506 -0.012 0.772 299.4 97.5 '2 C2H4Cl2'
2 0.494 0.488 0.228 299.4 97.5 '2 C2H4Cl2'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.286
_oxdiff_exptl_absorpt_empirical_full_min 0.811
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p
_database_code_depnum_ccdc_archive 'CCDC 2177151'
loop_
_audit_author_name
_audit_author_address
Lixiaonan
;Beijing Normal University
China
;
_audit_update_record             
;
2022-06-06 deposited with the CCDC.	2022-12-16 downloaded from the CCDC.
;
_audit_creation_date             2021-12-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'4(C6 H5 Cl), 2(C6 H4 Cl), 3(C S2), 5(H2 O), 2(C64 H42), 2(C60)'
_chemical_formula_sum            'C287 H122 Cl6 O5 S6'
_chemical_formula_weight         4054.90
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   61.130(4)
_cell_length_b                   9.9469(6)
_cell_length_c                   31.1453(18)
_cell_angle_alpha                90
_cell_angle_beta                 102.894(2)
_cell_angle_gamma                90
_cell_volume                     18460.4(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9904
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      66.41
_cell_measurement_theta_min      2.91
_shelx_estimated_absorpt_T_max   0.960
_shelx_estimated_absorpt_T_min   0.922
_exptl_absorpt_coefficient_mu    2.051
_exptl_absorpt_correction_T_max  0.9601
_exptl_absorpt_correction_T_min  0.9225
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8328
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_unetI/netI     0.0709
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       72
_diffrn_reflns_limit_h_min       -66
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            82296
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        66.687
_diffrn_reflns_theta_max         66.687
_diffrn_reflns_theta_min         2.911
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_diffrn_standards_number         ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10573
_reflns_number_total             16164
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.553
_refine_diff_density_min         -0.845
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.280
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1379
_refine_ls_number_reflns         16164
_refine_ls_number_restraints     80
_refine_ls_R_factor_all          0.1751
_refine_ls_R_factor_gt           0.1133
_refine_ls_restrained_S_all      1.300
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3035
_refine_ls_wR_factor_ref         0.3374
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H) groups
2. Restrained distances
 C97-Cl1
 2.3 with sigma of 0.01
 C115-C133
 1.4 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C97 \\sim C115 \\sim C118 \\sim C133 \\sim C135 \\sim C139: within 1.7A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 1.7A
Cl05 \\sim C15 \\sim C35 \\sim C95 \\sim C137 \\sim C141 \\sim C143: within 2A
with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
4. Others
 Fixed Sof: Cl1(0.3) Cl03(0.7) H3A(0.5) H3B(0.5)
5.a Riding coordinates:
 O1(H1A,H1B), O3(H3A,H3B), O2(H2A,H2B)
5.b Aromatic/amide H refined with riding coordinates:
 C41(H41), C75(H75), C77(H77), C128(H128), C130(H130), C115(H115), C133(H133),
 C135(H135), C139(H139), C15(H15), C35(H35), C95(H95), C141(H141), C143(H143),
 C8(H8), C9(H9), C18(H18), C24(H24), C26(H26), C44(H44), C46(H46), C50(H50),
 C52(H52), C54(H54), C56(H56), C60(H60), C62(H62), C64(H64), C66(H66), C68(H68),
  C74(H74), C76(H76), C78(H78), C80(H80), C84(H84), C86(H86), C88(H88),
 C90(H90), C92(H92), C94(H94), C96(H96), C98(H98), C100(H100), C102(H102),
 C104(H104), C106(H106), C108(H108), C110(H110), C114(H114), C116(H116),
 C124(H124), C126(H126), C132(H132), C136(H136), C138(H138), C140(H140)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Cl01 Cl 0.43083(3) 0.71105(16) 0.75326(5) 0.0903(4) Uani 1 1 d . . . . .
C41 C 0.44556(10) 0.7612(6) 0.8835(2) 0.0764(12) Uani 1 1 d . . . . .
H41 H 0.437809 0.780110 0.906088 0.092 Uiso 1 1 calc R U . . .
C75 C 0.48010(8) 0.7208(6) 0.86177(19) 0.0748(13) Uani 1 1 d . . . . .
H75 H 0.495978 0.712354 0.869247 0.090 Uiso 1 1 calc R U . . .
C77 C 0.46857(9) 0.7100(6) 0.81787(18) 0.0746(12) Uani 1 1 d . . . . .
H77 H 0.476301 0.693043 0.795136 0.089 Uiso 1 1 calc R U . . .
C112 C 0.44545(8) 0.7247(5) 0.80858(17) 0.0692(11) Uani 1 1 d . . . . .
C128 C 0.46864(9) 0.7434(5) 0.89403(17) 0.0730(12) Uani 1 1 d . . . . .
H128 H 0.476549 0.747048 0.923948 0.088 Uiso 1 1 calc R U . . .
C130 C 0.43381(8) 0.7514(5) 0.84012(19) 0.0718(12) Uani 1 1 d . . . . .
H130 H 0.417988 0.763098 0.832536 0.086 Uiso 1 1 calc R U . . .
Cl1 Cl 0.46014(12) 0.2384(6) 0.5118(2) 0.1021(17) Uani 0.3 1 d D . P A 2
Cl03 Cl 0.44359(5) 0.2346(3) 0.49819(7) 0.0949(6) Uani 0.7 1 d . . P A 1
C97 C 0.46241(11) 0.2095(7) 0.5853(2) 0.0887(12) Uani 1 1 d D U . . .
C115 C 0.42311(12) 0.1773(7) 0.6106(2) 0.0978(13) Uani 1 1 d D U . . .
H115 H 0.409761 0.165504 0.621010 0.117 Uiso 1 1 calc R U . . .
C118 C 0.44391(9) 0.2122(5) 0.5528(2) 0.0753(10) Uani 1 1 d . U . . .
C133 C 0.42262(11) 0.1948(7) 0.5642(2) 0.0971(13) Uani 1 1 d D U . . .
H133 H 0.408955 0.194621 0.542480 0.117 Uiso 1 1 calc R U . . .
C135 C 0.44317(13) 0.1787(8) 0.6378(3) 0.1014(14) Uani 1 1 d . U . . .
H135 H 0.443549 0.169211 0.668312 0.122 Uiso 1 1 calc R U . . .
C139 C 0.46250(13) 0.1919(8) 0.6268(3) 0.1010(14) Uani 1 1 d . U . . .
H139 H 0.476182 0.188753 0.648436 0.121 Uiso 1 1 calc R U . . .
Cl05 Cl 0.28365(4) 1.2005(3) 0.33292(11) 0.1392(8) Uani 1 1 d . U . . .
C15 C 0.25397(14) 1.1534(7) 0.3834(3) 0.1096(15) Uani 1 1 d . U . . .
H15 H 0.242747 1.152034 0.356818 0.131 Uiso 1 1 calc R U . . .
C35 C 0.28600(16) 1.1556(8) 0.4631(3) 0.1194(16) Uani 1 1 d . U . . .
H35 H 0.297002 1.152216 0.489932 0.143 Uiso 1 1 calc R U . . .
C95 C 0.29322(13) 1.1875(7) 0.4207(3) 0.1034(14) Uani 1 1 d . U . . .
H95 H 0.308212 1.211647 0.420262 0.124 Uiso 1 1 calc R U . . .
C137 C 0.27681(14) 1.1791(7) 0.3832(3) 0.1093(14) Uani 1 1 d . U . . .
C141 C 0.24866(16) 1.1302(9) 0.4240(3) 0.1188(16) Uani 1 1 d . U . . .
H141 H 0.233459 1.112283 0.424585 0.143 Uiso 1 1 calc R U . . .
C143 C 0.26436(17) 1.1321(9) 0.4635(4) 0.1240(17) Uani 1 1 d . U . . .
H143 H 0.259977 1.116974 0.490506 0.149 Uiso 1 1 calc R U . . .
S1 S 0.35372(5) 1.2346(2) 0.55687(9) 0.1205(7) Uani 1 1 d . . . . .
S3 S 0.34279(5) 0.9664(2) 0.59609(6) 0.1244(8) Uani 1 1 d . . . . .
C107 C 0.34719(12) 1.1018(8) 0.5762(2) 0.0951(18) Uani 1 1 d . . . . .
S2 S 0.48128(5) 0.5034(4) 0.20691(10) 0.1497(10) Uani 1 1 d . . . . .
C71 C 0.500000 0.5098(17) 0.250000 0.129(4) Uani 1 2 d S T P . .
O1 O 0.51985(7) 0.8964(6) 0.79212(14) 0.1018(14) Uani 1 1 d . . . . .
H1A H 0.516355 0.851938 0.812913 0.122 Uiso 1 1 d R U . . .
H1B H 0.522754 0.976468 0.801133 0.122 Uiso 1 1 d R U . . .
O3 O 0.500000 1.1347(11) 0.750000 0.125(3) Uani 1 2 d S T P . .
H3A H 0.487210 1.109851 0.735300 0.150 Uiso 0.5 1 d R U P . .
H3B H 0.503700 1.081131 0.771660 0.150 Uiso 0.5 1 d R U P . .
O2 O 0.29395(16) 1.1416(15) 0.5892(3) 0.206(5) Uani 1 1 d . . . . .
H2A H 0.301698 1.070562 0.595983 0.248 Uiso 1 1 d R U . . .
H2B H 0.291218 1.174382 0.612683 0.248 Uiso 1 1 d R U . . .
C1 C 0.41505(7) 0.7985(5) 0.22971(13) 0.0582(9) Uani 1 1 d . . . . .
C4 C 0.26050(6) 0.6802(5) 0.29949(13) 0.0547(8) Uani 1 1 d . . . . .
C6 C 0.38774(6) 0.6475(4) 0.64022(12) 0.0542(8) Uani 1 1 d . . . . .
C8 C 0.34728(6) 0.6039(4) 0.60318(13) 0.0539(8) Uani 1 1 d . . . . .
H8 H 0.350598 0.561843 0.577996 0.065 Uiso 1 1 calc R U . . .
C9 C 0.44712(8) 0.6756(5) 0.27877(17) 0.0705(11) Uani 1 1 d . . . . .
H9 H 0.443633 0.595855 0.261824 0.085 Uiso 1 1 calc R U . . .
C10 C 0.36367(6) 0.6434(4) 0.64021(12) 0.0540(8) Uani 1 1 d . . . . .
C12 C 0.26503(6) 0.6416(5) 0.43789(13) 0.0560(9) Uani 1 1 d . . . . .
C14 C 0.43052(7) 0.6754(5) 0.61884(13) 0.0570(9) Uani 1 1 d . . . . .
C16 C 0.48050(6) 0.7465(5) 0.48653(14) 0.0583(9) Uani 1 1 d . . . . .
C18 C 0.47278(6) 0.6066(5) 0.54941(15) 0.0616(10) Uani 1 1 d . . . . .
H18 H 0.480033 0.531354 0.539946 0.074 Uiso 1 1 calc R U . . .
C20 C 0.32744(7) 0.6865(4) 0.65058(13) 0.0557(8) Uani 1 1 d . . . . .
C22 C 0.28263(6) 0.7227(5) 0.22897(13) 0.0567(9) Uani 1 1 d . . . . .
C24 C 0.25983(7) 0.8054(5) 0.27793(14) 0.0601(9) Uani 1 1 d . . . . .
H24 H 0.251818 0.877767 0.287131 0.072 Uiso 1 1 calc R U . . .
C26 C 0.46631(6) 0.8430(5) 0.55033(14) 0.0595(9) Uani 1 1 d . . . . .
H26 H 0.469120 0.931575 0.541467 0.071 Uiso 1 1 calc R U . . .
C28 C 0.46822(6) 0.7817(5) 0.34562(15) 0.0582(9) Uani 1 1 d . . . . .
C30 C 0.27633(6) 0.6293(5) 0.48580(13) 0.0547(8) Uani 1 1 d . . . . .
C32 C 0.35204(7) 0.6913(4) 0.67187(13) 0.0545(8) Uani 1 1 d . . . . .
C34 C 0.43683(7) 0.7960(5) 0.26296(14) 0.0587(9) Uani 1 1 d . . . . .
C36 C 0.32575(7) 0.6333(4) 0.60755(13) 0.0565(8) Uani 1 1 d . . . . .
C38 C 0.25652(6) 0.6672(5) 0.34480(13) 0.0558(9) Uani 1 1 d . . . . .
C40 C 0.30614(6) 0.6244(5) 0.56992(13) 0.0565(9) Uani 1 1 d . . . . .
C42 C 0.47458(6) 0.7333(5) 0.53046(14) 0.0572(9) Uani 1 1 d . . . . .
C44 C 0.41857(7) 0.5543(5) 0.61251(13) 0.0576(9) Uani 1 1 d . . . . .
H44 H 0.424896 0.479270 0.600780 0.069 Uiso 1 1 calc R U . . .
C46 C 0.27008(6) 0.5735(4) 0.28054(13) 0.0559(8) Uani 1 1 d . . . . .
H46 H 0.269301 0.484945 0.291510 0.067 Uiso 1 1 calc R U . . .
C48 C 0.30026(6) 0.7505(5) 0.20409(13) 0.0544(8) Uani 1 1 d . . . . .
C50 C 0.27805(6) 0.7382(5) 0.51479(15) 0.0576(9) Uani 1 1 d . . . . .
H50 H 0.269219 0.816127 0.505909 0.069 Uiso 1 1 calc R U . . .
C52 C 0.28064(6) 0.5950(5) 0.24611(13) 0.0575(9) Uani 1 1 d . . . . .
H52 H 0.286729 0.520264 0.233798 0.069 Uiso 1 1 calc R U . . .
C54 C 0.26266(6) 0.7676(5) 0.41766(15) 0.0578(9) Uani 1 1 d . . . . .
H54 H 0.263925 0.846270 0.435347 0.069 Uiso 1 1 calc R U . . .
C56 C 0.28854(6) 0.5137(5) 0.50143(14) 0.0571(9) Uani 1 1 d . . . . .
H56 H 0.286745 0.435162 0.483642 0.069 Uiso 1 1 calc R U . . .
C58 C 0.36818(7) 0.7944(5) 0.19072(12) 0.0560(9) Uani 1 1 d . . . . .
C60 C 0.48108(7) 0.6347(5) 0.45995(15) 0.0633(10) Uani 1 1 d . . . . .
H60 H 0.482603 0.548039 0.473085 0.076 Uiso 1 1 calc R U . . .
C62 C 0.39794(7) 0.5407(4) 0.62276(13) 0.0566(8) Uani 1 1 d . . . . .
H62 H 0.390398 0.456651 0.617886 0.068 Uiso 1 1 calc R U . . .
C64 C 0.36149(8) 0.7280(4) 0.71507(14) 0.0594(9) Uani 1 1 d . . . . .
H64 H 0.377429 0.727912 0.722773 0.071 Uiso 1 1 calc R U . . .
C66 C 0.31042(7) 0.8774(5) 0.20684(14) 0.0608(9) Uani 1 1 d . . . . .
H66 H 0.302841 0.952792 0.215359 0.073 Uiso 1 1 calc R U . . .
C68 C 0.47953(7) 0.6452(5) 0.41523(15) 0.0625(10) Uani 1 1 d . . . . .
H68 H 0.479880 0.565993 0.398364 0.075 Uiso 1 1 calc R U . . .
C70 C 0.34331(7) 0.7872(4) 0.18514(12) 0.0550(8) Uani 1 1 d . . . . .
C72 C 0.47744(6) 0.7712(5) 0.39407(15) 0.0583(9) Uani 1 1 d . . . . .
C74 C 0.25555(6) 0.5419(5) 0.36501(14) 0.0591(9) Uani 1 1 d . . . . .
H74 H 0.251961 0.464064 0.347130 0.071 Uiso 1 1 calc R U . . .
C76 C 0.30325(7) 0.5115(5) 0.54244(14) 0.0581(9) Uani 1 1 d . . . . .
H76 H 0.311500 0.431908 0.552006 0.070 Uiso 1 1 calc R U . . .
C78 C 0.48135(7) 0.8712(5) 0.46633(15) 0.0628(10) Uani 1 1 d . . . . .
H78 H 0.483003 0.950006 0.483977 0.075 Uiso 1 1 calc R U . . .
C80 C 0.30945(7) 0.7185(5) 0.66956(15) 0.0606(9) Uani 1 1 d . . . . .
H80 H 0.294986 0.712805 0.650525 0.073 Uiso 1 1 calc R U . . .
C82 C 0.44947(6) 0.6980(5) 0.59686(13) 0.0564(9) Uani 1 1 d . . . . .
C84 C 0.25847(7) 0.7800(5) 0.37212(14) 0.0587(9) Uani 1 1 d . . . . .
H84 H 0.256907 0.867126 0.359272 0.070 Uiso 1 1 calc R U . . .
C86 C 0.42133(7) 0.7786(5) 0.63951(14) 0.0606(9) Uani 1 1 d . . . . .
H86 H 0.429539 0.859675 0.646686 0.073 Uiso 1 1 calc R U . . .
C88 C 0.29232(6) 0.7351(5) 0.55609(14) 0.0577(9) Uani 1 1 d . . . . .
H88 H 0.292714 0.809519 0.575354 0.069 Uiso 1 1 calc R U . . .
C90 C 0.37997(8) 0.9157(5) 0.20097(17) 0.0681(11) Uani 1 1 d . . . . .
H90 H 0.372133 0.998392 0.194749 0.082 Uiso 1 1 calc R U . . .
C92 C 0.38111(8) 0.6778(5) 0.19490(15) 0.0644(10) Uani 1 1 d . . . . .
H92 H 0.374154 0.594763 0.184773 0.077 Uiso 1 1 calc R U . . .
C94 C 0.45424(7) 0.8259(5) 0.58226(15) 0.0609(10) Uani 1 1 d . . . . .
H94 H 0.448968 0.902987 0.594844 0.073 Uiso 1 1 calc R U . . .
C96 C 0.25970(6) 0.5288(5) 0.41056(14) 0.0610(9) Uani 1 1 d . . . . .
H96 H 0.258920 0.442598 0.423283 0.073 Uiso 1 1 calc R U . . .
C98 C 0.33156(7) 0.6658(5) 0.17566(15) 0.0627(10) Uani 1 1 d . . . . .
H98 H 0.338113 0.594696 0.162503 0.075 Uiso 1 1 calc R U . . .
C100 C 0.40414(8) 0.6806(5) 0.21371(16) 0.0657(10) Uani 1 1 d . . . . .
H100 H 0.412516 0.599570 0.215564 0.079 Uiso 1 1 calc R U . . .
C102 C 0.40271(8) 0.9176(5) 0.21989(16) 0.0670(10) Uani 1 1 d . . . . .
H102 H 0.410119 1.001583 0.226369 0.080 Uiso 1 1 calc R U . . .
C104 C 0.30988(8) 0.7578(5) 0.71272(16) 0.0650(10) Uani 1 1 d . . . . .
H104 H 0.295658 0.773006 0.719373 0.078 Uiso 1 1 calc R U . . .
C106 C 0.27053(6) 0.8256(5) 0.24384(13) 0.0577(9) Uani 1 1 d . . . . .
H106 H 0.269658 0.911303 0.230120 0.069 Uiso 1 1 calc R U . . .
C108 C 0.35115(8) 0.7645(4) 0.74845(14) 0.0622(10) Uani 1 1 d . . . . .
H108 H 0.360911 0.783403 0.776075 0.075 Uiso 1 1 calc R U . . .
C110 C 0.40034(7) 0.7658(5) 0.64995(13) 0.0592(9) Uani 1 1 d . . . . .
H110 H 0.394535 0.838281 0.663857 0.071 Uiso 1 1 calc R U . . .
C114 C 0.33147(7) 0.8950(5) 0.19728(13) 0.0590(9) Uani 1 1 d . . . . .
H114 H 0.337862 0.982454 0.199092 0.071 Uiso 1 1 calc R U . . .
C116 C 0.46064(6) 0.5896(5) 0.58162(14) 0.0603(9) Uani 1 1 d . . . . .
H116 H 0.459794 0.502681 0.593807 0.072 Uiso 1 1 calc R U . . .
C124 C 0.47989(7) 0.8840(5) 0.42167(16) 0.0650(10) Uani 1 1 d . . . . .
H124 H 0.480563 0.970931 0.409406 0.078 Uiso 1 1 calc R U . . .
C126 C 0.31064(7) 0.6469(5) 0.18495(14) 0.0619(9) Uani 1 1 d . . . . .
H126 H 0.303194 0.563040 0.178362 0.074 Uiso 1 1 calc R U . . .
C132 C 0.32821(8) 0.7774(5) 0.74703(15) 0.0641(10) Uani 1 1 d . . . . .
H132 H 0.324699 0.803948 0.774008 0.077 Uiso 1 1 calc R U . . .
C136 C 0.44526(9) 0.9122(5) 0.28574(17) 0.0766(13) Uani 1 1 d . . . . .
H136 H 0.440486 0.997654 0.273544 0.092 Uiso 1 1 calc R U . . .
C138 C 0.46059(9) 0.9049(6) 0.32615(17) 0.0755(13) Uani 1 1 d . . . . .
H138 H 0.466024 0.985829 0.340932 0.091 Uiso 1 1 calc R U . . .
C140 C 0.46244(8) 0.6705(5) 0.31913(17) 0.0700(11) Uani 1 1 d . . . . .
H140 H 0.469234 0.586754 0.328857 0.084 Uiso 1 1 calc R U . . .
C2 C 0.33917(15) 0.5593(9) 0.3116(2) 0.110(2) Uani 1 1 d . . . . .
C3 C 0.40948(10) 0.9811(7) 0.4362(3) 0.108(3) Uani 1 1 d . . . . .
C5 C 0.39658(10) 0.4081(6) 0.4216(2) 0.0857(16) Uani 1 1 d . . . . .
C7 C 0.35833(15) 0.4869(8) 0.3205(2) 0.116(3) Uani 1 1 d . . . . .
C11 C 0.35814(11) 0.8940(7) 0.49924(18) 0.0833(14) Uani 1 1 d . . . . .
C13 C 0.31447(10) 0.6804(10) 0.3429(3) 0.103(2) Uani 1 1 d . . . . .
C17 C 0.39703(14) 0.9775(9) 0.3613(3) 0.115(3) Uani 1 1 d . . . . .
C19 C 0.33922(10) 0.6760(7) 0.49050(18) 0.0814(15) Uani 1 1 d . . . . .
C21 C 0.37785(11) 0.6851(7) 0.52239(16) 0.0838(15) Uani 1 1 d . . . . .
C23 C 0.36036(13) 0.7615(8) 0.29211(16) 0.0935(19) Uani 1 1 d . . . . .
C25 C 0.35745(16) 1.0482(6) 0.3627(2) 0.101(2) Uani 1 1 d . . . . .
C27 C 0.35015(10) 0.3887(5) 0.3885(2) 0.0834(15) Uani 1 1 d . . . . .
C29 C 0.34128(11) 0.4682(7) 0.4532(2) 0.0943(18) Uani 1 1 d . . . . .
C31 C 0.32433(10) 0.7744(10) 0.31552(19) 0.096(2) Uani 1 1 d . . . . .
C33 C 0.32917(11) 0.9031(8) 0.3286(2) 0.0943(19) Uani 1 1 d . . . . .
C37 C 0.32315(8) 0.8632(6) 0.4425(2) 0.0768(13) Uani 1 1 d . . . . .
C39 C 0.38800(9) 0.4083(5) 0.3766(2) 0.0743(12) Uani 1 1 d . . . . .
C43 C 0.32255(9) 0.7246(7) 0.4561(2) 0.0819(15) Uani 1 1 d . . . . .
C45 C 0.39802(13) 0.7474(7) 0.51850(18) 0.096(2) Uani 1 1 d . . . . .
C47 C 0.35842(12) 0.3877(6) 0.4338(3) 0.0907(17) Uani 1 1 d . . . . .
C49 C 0.40909(11) 0.5414(8) 0.4861(2) 0.0926(18) Uani 1 1 d . . . . .
C51 C 0.42260(9) 0.5767(9) 0.4188(3) 0.106(2) Uani 1 1 d . . . . .
C53 C 0.39780(10) 0.5002(7) 0.3497(2) 0.0856(15) Uani 1 1 d . . . . .
C55 C 0.34839(13) 0.9619(7) 0.3240(2) 0.0945(18) Uani 1 1 d . . . . .
C57 C 0.42822(8) 0.7272(8) 0.4363(3) 0.095(2) Uani 1 1 d . . . . .
C59 C 0.36374(12) 0.8969(7) 0.30606(18) 0.0880(16) Uani 1 1 d . . . . .
C61 C 0.35725(12) 0.7610(8) 0.51248(18) 0.0884(17) Uani 1 1 d . . . . .
C63 C 0.34919(13) 0.5428(8) 0.4887(2) 0.100(2) Uani 1 1 d . . . . .
C65 C 0.32434(11) 0.9501(8) 0.3722(3) 0.0968(19) Uani 1 1 d . . . . .
C67 C 0.41429(9) 0.9331(6) 0.3958(3) 0.0928(18) Uani 1 1 d . . . . .
C69 C 0.39888(14) 0.8853(8) 0.5037(2) 0.109(2) Uani 1 1 d . . . . .
C73 C 0.34196(9) 1.0381(5) 0.3926(2) 0.0782(13) Uani 1 1 d . . . . .
C79 C 0.37395(10) 0.5508(7) 0.50823(16) 0.0815(14) Uani 1 1 d . . . . .
C81 C 0.31593(9) 0.8692(9) 0.3966(2) 0.0954(19) Uani 1 1 d . . . . .
C83 C 0.36377(9) 0.3978(5) 0.3602(2) 0.0812(14) Uani 1 1 d . . . . .
C85 C 0.38050(12) 0.5534(8) 0.3150(2) 0.0925(17) Uani 1 1 d . . . . .
C87 C 0.41659(11) 0.7212(8) 0.3598(3) 0.098(2) Uani 1 1 d . . . . .
C89 C 0.32422(8) 0.5122(6) 0.4189(2) 0.0803(14) Uani 1 1 d . . . . .
C91 C 0.37450(9) 1.0473(5) 0.4542(2) 0.0839(15) Uani 1 1 d . . . . .
C93 C 0.38000(13) 1.0577(6) 0.3805(3) 0.100(2) Uani 1 1 d . . . . .
C99 C 0.32417(10) 0.5471(9) 0.3403(2) 0.096(2) Uani 1 1 d . . . . .
C101 C 0.38862(10) 1.0569(6) 0.4258(3) 0.0945(19) Uani 1 1 d . . . . .
C103 C 0.38946(13) 0.4823(7) 0.4902(2) 0.0953(18) Uani 1 1 d . . . . .
C105 C 0.34011(15) 0.6980(8) 0.29622(17) 0.102(2) Uani 1 1 d . . . . .
C109 C 0.32901(10) 0.4654(7) 0.3784(3) 0.097(2) Uani 1 1 d . . . . .
C111 C 0.31017(8) 0.7199(8) 0.3799(3) 0.0911(18) Uani 1 1 d . . . . .
C113 C 0.38153(13) 0.6869(9) 0.30229(19) 0.097(2) Uani 1 1 d . . . . .
C117 C 0.41387(9) 0.6727(10) 0.4995(2) 0.098(2) Uani 1 1 d . . . . .
C119 C 0.41412(10) 0.8984(9) 0.4749(3) 0.101(2) Uani 1 1 d . . . . .
C120 C 0.41558(9) 0.5839(6) 0.3722(2) 0.0821(15) Uani 1 1 d . . . . .
C121 C 0.38087(16) 0.3973(6) 0.4514(2) 0.103(2) Uani 1 1 d . . . . .
C122 C 0.31467(7) 0.6422(6) 0.4181(2) 0.0763(13) Uani 1 1 d . . . . .
C123 C 0.42368(10) 0.7637(11) 0.4730(3) 0.115(3) Uani 1 1 d . . . . .
C125 C 0.37966(12) 0.9564(8) 0.4950(2) 0.102(2) Uani 1 1 d . . . . .
C127 C 0.41390(11) 0.4959(8) 0.4430(3) 0.108(2) Uani 1 1 d . . . . .
C129 C 0.38891(16) 0.9057(10) 0.3264(3) 0.117(3) Uani 1 1 d . . . . .
C131 C 0.39936(13) 0.7704(8) 0.3241(2) 0.097(2) Uani 1 1 d . . . . .
C134 C 0.35062(9) 1.0380(5) 0.43784(18) 0.0711(11) Uani 1 1 d . . . . .
C142 C 0.42412(8) 0.8032(7) 0.3973(3) 0.0892(17) Uani 1 1 d . . . . .
C144 C 0.34078(10) 0.9464(6) 0.46428(19) 0.0771(13) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl01 C112 1.760(5) . ?
C41 H41 0.9500 . ?
C41 C128 1.386(8) . ?
C41 C130 1.386(8) . ?
C75 H75 0.9500 . ?
C75 C77 1.396(8) . ?
C75 C128 1.366(8) . ?
C77 H77 0.9500 . ?
C77 C112 1.386(8) . ?
C112 C130 1.361(8) . ?
C128 H128 0.9500 . ?
C130 H130 0.9500 . ?
Cl1 C118 1.805(8) . ?
Cl03 C118 1.713(7) . ?
C97 C118 1.339(8) . ?
C97 C139 1.304(10) . ?
C115 H115 0.9500 . ?
C115 C133 1.451(8) . ?
C115 C135 1.326(11) . ?
C118 C133 1.433(9) . ?
C133 H133 0.9500 . ?
C135 H135 0.9500 . ?
C135 C139 1.308(11) . ?
C139 H139 0.9500 . ?
Cl05 C137 1.723(10) . ?
C15 H15 0.9500 . ?
C15 C137 1.420(12) . ?
C15 C141 1.394(13) . ?
C35 H35 0.9500 . ?
C35 C95 1.516(14) . ?
C35 C143 1.347(14) . ?
C95 H95 0.9500 . ?
C95 C137 1.360(12) . ?
C141 H141 0.9500 . ?
C141 C143 1.381(14) . ?
C143 H143 0.9500 . ?
S1 C107 1.541(8) . ?
S3 C107 1.531(8) . ?
S2 C71 1.559(4) . ?
O1 H1A 0.8500 . ?
O1 H1B 0.8499 . ?
O3 H3A 0.8499 . ?
O3 H3A 0.8498 2_656 ?
O3 H3B 0.8499 . ?
O3 H3B 0.8499 2_656 ?
O2 H2A 0.8507 . ?
O2 H2B 0.8497 . ?
C1 C34 1.493(6) . ?
C1 C100 1.385(7) . ?
C1 C102 1.401(7) . ?
C4 C24 1.411(6) . ?
C4 C38 1.490(6) . ?
C4 C46 1.404(6) . ?
C6 C10 1.472(6) . ?
C6 C62 1.402(6) . ?
C6 C110 1.402(6) . ?
C8 H8 0.9500 . ?
C8 C10 1.405(6) . ?
C8 C36 1.384(6) . ?
C9 H9 0.9500 . ?
C9 C34 1.391(7) . ?
C9 C140 1.391(7) . ?
C10 C32 1.420(6) . ?
C12 C30 1.503(5) . ?
C12 C54 1.396(6) . ?
C12 C96 1.402(6) . ?
C14 C44 1.401(7) . ?
C14 C82 1.488(6) . ?
C14 C86 1.394(6) . ?
C16 C42 1.497(6) . ?
C16 C60 1.392(7) . ?
C16 C78 1.397(7) . ?
C18 H18 0.9500 . ?
C18 C42 1.406(7) . ?
C18 C116 1.385(7) . ?
C20 C32 1.502(6) . ?
C20 C36 1.423(6) . ?
C20 C80 1.397(6) . ?
C22 C48 1.487(6) . ?
C22 C52 1.393(6) . ?
C22 C106 1.401(6) . ?
C24 H24 0.9500 . ?
C24 C106 1.380(6) . ?
C26 H26 0.9500 . ?
C26 C42 1.404(6) . ?
C26 C94 1.375(7) . ?
C28 C72 1.492(6) . ?
C28 C138 1.400(7) . ?
C28 C140 1.378(7) . ?
C30 C50 1.399(6) . ?
C30 C56 1.398(6) . ?
C32 C64 1.389(6) . ?
C34 C136 1.393(7) . ?
C36 C40 1.480(6) . ?
C38 C74 1.404(6) . ?
C38 C84 1.398(6) . ?
C40 C76 1.399(6) . ?
C40 C88 1.396(6) . ?
C44 H44 0.9500 . ?
C44 C62 1.375(6) . ?
C46 H46 0.9500 . ?
C46 C52 1.386(6) . ?
C48 C66 1.401(6) . ?
C48 C126 1.411(6) . ?
C50 H50 0.9500 . ?
C50 C88 1.384(6) . ?
C52 H52 0.9500 . ?
C54 H54 0.9500 . ?
C54 C84 1.390(6) . ?
C56 H56 0.9500 . ?
C56 C76 1.388(6) . ?
C58 C70 1.493(6) . ?
C58 C90 1.405(7) . ?
C58 C92 1.393(7) . ?
C60 H60 0.9500 . ?
C60 C68 1.379(7) . ?
C62 H62 0.9500 . ?
C64 H64 0.9500 . ?
C64 C108 1.381(7) . ?
C66 H66 0.9500 . ?
C66 C114 1.395(6) . ?
C68 H68 0.9500 . ?
C68 C72 1.408(7) . ?
C70 C98 1.402(7) . ?
C70 C114 1.392(6) . ?
C72 C124 1.401(6) . ?
C74 H74 0.9500 . ?
C74 C96 1.390(6) . ?
C76 H76 0.9500 . ?
C78 H78 0.9500 . ?
C78 C124 1.380(7) . ?
C80 H80 0.9500 . ?
C80 C104 1.394(7) . ?
C82 C94 1.403(7) . ?
C82 C116 1.414(6) . ?
C84 H84 0.9500 . ?
C86 H86 0.9500 . ?
C86 C110 1.398(6) . ?
C88 H88 0.9500 . ?
C90 H90 0.9500 . ?
C90 C102 1.384(7) . ?
C92 H92 0.9500 . ?
C92 C100 1.399(7) . ?
C94 H94 0.9500 . ?
C96 H96 0.9500 . ?
C98 H98 0.9500 . ?
C98 C126 1.386(6) . ?
C100 H100 0.9500 . ?
C102 H102 0.9500 . ?
C104 H104 0.9500 . ?
C104 C132 1.379(7) . ?
C106 H106 0.9500 . ?
C108 H108 0.9500 . ?
C108 C132 1.399(7) . ?
C110 H110 0.9500 . ?
C114 H114 0.9500 . ?
C116 H116 0.9500 . ?
C124 H124 0.9500 . ?
C126 H126 0.9500 . ?
C132 H132 0.9500 . ?
C136 H136 0.9500 . ?
C136 C138 1.393(7) . ?
C138 H138 0.9500 . ?
C140 H140 0.9500 . ?
C2 C7 1.350(11) . ?
C2 C99 1.420(11) . ?
C2 C105 1.466(11) . ?
C3 C67 1.438(12) . ?
C3 C101 1.455(9) . ?
C3 C119 1.435(12) . ?
C5 C39 1.382(9) . ?
C5 C121 1.481(11) . ?
C5 C127 1.418(10) . ?
C7 C83 1.496(11) . ?
C7 C85 1.552(13) . ?
C11 C61 1.391(10) . ?
C11 C125 1.487(11) . ?
C11 C144 1.438(9) . ?
C13 C31 1.482(11) . ?
C13 C99 1.462(12) . ?
C13 C111 1.297(11) . ?
C17 C67 1.397(11) . ?
C17 C93 1.534(12) . ?
C17 C129 1.304(13) . ?
C19 C43 1.390(9) . ?
C19 C61 1.435(10) . ?
C19 C63 1.465(10) . ?
C21 C45 1.409(11) . ?
C21 C61 1.442(9) . ?
C21 C79 1.410(10) . ?
C23 C59 1.416(11) . ?
C23 C105 1.421(12) . ?
C23 C113 1.464(10) . ?
C25 C55 1.483(10) . ?
C25 C73 1.471(10) . ?
C25 C93 1.370(12) . ?
C27 C47 1.390(10) . ?
C27 C83 1.344(9) . ?
C27 C109 1.473(9) . ?
C29 C47 1.544(10) . ?
C29 C63 1.328(11) . ?
C29 C89 1.387(9) . ?
C31 C33 1.357(12) . ?
C31 C105 1.458(12) . ?
C33 C55 1.348(11) . ?
C33 C65 1.525(11) . ?
C37 C43 1.445(9) . ?
C37 C81 1.399(9) . ?
C37 C144 1.407(8) . ?
C39 C53 1.456(9) . ?
C39 C83 1.459(8) . ?
C43 C122 1.434(9) . ?
C45 C69 1.452(11) . ?
C45 C117 1.448(11) . ?
C47 C121 1.363(11) . ?
C49 C103 1.368(11) . ?
C49 C117 1.383(12) . ?
C49 C127 1.504(12) . ?
C51 C57 1.603(12) . ?
C51 C120 1.421(10) . ?
C51 C127 1.294(12) . ?
C53 C85 1.435(10) . ?
C53 C120 1.423(9) . ?
C55 C59 1.359(10) . ?
C57 C123 1.289(12) . ?
C57 C142 1.403(10) . ?
C59 C129 1.530(12) . ?
C63 C79 1.502(10) . ?
C65 C73 1.423(9) . ?
C65 C81 1.289(11) . ?
C67 C142 1.422(10) . ?
C69 C119 1.435(12) . ?
C69 C125 1.346(11) . ?
C73 C134 1.390(8) . ?
C79 C103 1.384(10) . ?
C81 C111 1.588(11) . ?
C85 C113 1.391(11) . ?
C87 C120 1.425(10) . ?
C87 C131 1.435(12) . ?
C87 C142 1.416(11) . ?
C89 C109 1.434(10) . ?
C89 C122 1.416(9) . ?
C91 C101 1.370(10) . ?
C91 C125 1.535(11) . ?
C91 C134 1.438(8) . ?
C93 C101 1.390(11) . ?
C99 C109 1.415(11) . ?
C103 C121 1.472(10) . ?
C111 C122 1.393(9) . ?
C113 C131 1.418(12) . ?
C117 C123 1.442(12) . ?
C119 C123 1.468(13) . ?
C129 C131 1.498(12) . ?
C134 C144 1.446(8) . ?

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
C128 C41 H41 120.0 . . ?
C128 C41 C130 120.0(5) . . ?
C130 C41 H41 120.0 . . ?
C77 C75 H75 119.9 . . ?
C128 C75 H75 119.9 . . ?
C128 C75 C77 120.2(5) . . ?
C75 C77 H77 121.1 . . ?
C112 C77 C75 117.7(5) . . ?
C112 C77 H77 121.1 . . ?
C77 C112 Cl01 117.9(4) . . ?
C130 C112 Cl01 119.2(4) . . ?
C130 C112 C77 122.9(5) . . ?
C41 C128 H128 119.7 . . ?
C75 C128 C41 120.6(5) . . ?
C75 C128 H128 119.7 . . ?
C41 C130 H130 120.8 . . ?
C112 C130 C41 118.5(5) . . ?
C112 C130 H130 120.8 . . ?
C139 C97 C118 124.6(7) . . ?
C133 C115 H115 121.8 . . ?
C135 C115 H115 121.8 . . ?
C135 C115 C133 116.5(7) . . ?
C97 C118 Cl1 91.9(5) . . ?
C97 C118 Cl03 125.0(5) . . ?
C97 C118 C133 118.2(6) . . ?
C133 C118 Cl1 149.9(6) . . ?
C133 C118 Cl03 116.8(5) . . ?
C115 C133 H133 121.9 . . ?
C118 C133 C115 116.2(6) . . ?
C118 C133 H133 121.9 . . ?
C115 C135 H135 116.7 . . ?
C139 C135 C115 126.5(8) . . ?
C139 C135 H135 116.7 . . ?
C97 C139 C135 118.0(8) . . ?
C97 C139 H139 121.0 . . ?
C135 C139 H139 121.0 . . ?
C137 C15 H15 121.3 . . ?
C141 C15 H15 121.3 . . ?
C141 C15 C137 117.5(8) . . ?
C95 C35 H35 119.2 . . ?
C143 C35 H35 119.2 . . ?
C143 C35 C95 121.5(9) . . ?
C35 C95 H95 122.2 . . ?
C137 C95 C35 115.5(8) . . ?
C137 C95 H95 122.2 . . ?
C15 C137 Cl05 117.6(7) . . ?
C95 C137 Cl05 119.3(7) . . ?
C95 C137 C15 123.1(9) . . ?
C15 C141 H141 118.3 . . ?
C143 C141 C15 123.3(9) . . ?
C143 C141 H141 118.3 . . ?
C35 C143 C141 118.9(11) . . ?
C35 C143 H143 120.6 . . ?
C141 C143 H143 120.6 . . ?
S3 C107 S1 175.1(6) . . ?
S2 C71 S2 175.3(13) . 2_655 ?
H1A O1 H1B 107.8 . . ?
H3A O3 H3A 146.2 . 2_656 ?
H3A O3 H3B 107.2 . . ?
H3A O3 H3B 48.7 . 2_656 ?
H3A O3 H3B 107.2 2_656 2_656 ?
H3B O3 H3A 48.7 . 2_656 ?
H3B O3 H3B 102.3 . 2_656 ?
H2A O2 H2B 108.2 . . ?
C100 C1 C34 121.2(4) . . ?
C100 C1 C102 116.4(4) . . ?
C102 C1 C34 121.2(4) . . ?
C24 C4 C38 122.3(4) . . ?
C46 C4 C24 115.9(4) . . ?
C46 C4 C38 120.3(4) . . ?
C62 C6 C10 120.7(4) . . ?
C110 C6 C10 121.6(4) . . ?
C110 C6 C62 116.7(4) . . ?
C10 C8 H8 123.8 . . ?
C36 C8 H8 123.8 . . ?
C36 C8 C10 112.3(4) . . ?
C34 C9 H9 119.6 . . ?
C34 C9 C140 120.7(5) . . ?
C140 C9 H9 119.6 . . ?
C8 C10 C6 122.5(4) . . ?
C8 C10 C32 106.7(3) . . ?
C32 C10 C6 130.3(4) . . ?
C54 C12 C30 120.0(4) . . ?
C54 C12 C96 117.3(4) . . ?
C96 C12 C30 122.0(4) . . ?
C44 C14 C82 120.0(4) . . ?
C86 C14 C44 116.6(4) . . ?
C86 C14 C82 122.5(4) . . ?
C60 C16 C42 121.1(4) . . ?
C60 C16 C78 115.6(4) . . ?
C78 C16 C42 122.1(4) . . ?
C42 C18 H18 119.4 . . ?
C116 C18 H18 119.4 . . ?
C116 C18 C42 121.2(4) . . ?
C36 C20 C32 106.4(3) . . ?
C80 C20 C32 127.7(4) . . ?
C80 C20 C36 125.8(4) . . ?
C52 C22 C48 120.3(4) . . ?
C52 C22 C106 116.2(4) . . ?
C106 C22 C48 122.3(4) . . ?
C4 C24 H24 119.1 . . ?
C106 C24 C4 121.7(4) . . ?
C106 C24 H24 119.1 . . ?
C42 C26 H26 119.1 . . ?
C94 C26 H26 119.1 . . ?
C94 C26 C42 121.8(4) . . ?
C138 C28 C72 120.9(4) . . ?
C140 C28 C72 122.5(4) . . ?
C140 C28 C138 115.3(4) . . ?
C50 C30 C12 122.0(4) . . ?
C56 C30 C12 120.3(4) . . ?
C56 C30 C50 117.0(4) . . ?
C10 C32 C20 106.8(3) . . ?
C64 C32 C10 126.6(4) . . ?
C64 C32 C20 126.5(4) . . ?
C9 C34 C1 121.5(4) . . ?
C9 C34 C136 116.6(4) . . ?
C136 C34 C1 120.7(4) . . ?
C8 C36 C20 107.5(4) . . ?
C8 C36 C40 122.0(4) . . ?
C20 C36 C40 130.0(4) . . ?
C74 C38 C4 122.3(4) . . ?
C84 C38 C4 119.8(4) . . ?
C84 C38 C74 116.5(4) . . ?
C76 C40 C36 120.1(4) . . ?
C88 C40 C36 121.7(4) . . ?
C88 C40 C76 117.3(4) . . ?
C18 C42 C16 121.3(4) . . ?
C26 C42 C16 121.2(4) . . ?
C26 C42 C18 116.3(4) . . ?
C14 C44 H44 119.0 . . ?
C62 C44 C14 121.9(4) . . ?
C62 C44 H44 119.0 . . ?
C4 C46 H46 119.4 . . ?
C52 C46 C4 121.2(4) . . ?
C52 C46 H46 119.4 . . ?
C66 C48 C22 119.9(4) . . ?
C66 C48 C126 116.7(4) . . ?
C126 C48 C22 122.0(4) . . ?
C30 C50 H50 119.2 . . ?
C88 C50 C30 121.6(4) . . ?
C88 C50 H50 119.2 . . ?
C22 C52 H52 118.9 . . ?
C46 C52 C22 122.2(4) . . ?
C46 C52 H52 118.9 . . ?
C12 C54 H54 119.4 . . ?
C84 C54 C12 121.2(4) . . ?
C84 C54 H54 119.4 . . ?
C30 C56 H56 119.4 . . ?
C76 C56 C30 121.3(4) . . ?
C76 C56 H56 119.4 . . ?
C90 C58 C70 121.6(4) . . ?
C92 C58 C70 120.9(4) . . ?
C92 C58 C90 116.2(4) . . ?
C16 C60 H60 118.8 . . ?
C68 C60 C16 122.4(5) . . ?
C68 C60 H60 118.8 . . ?
C6 C62 H62 119.1 . . ?
C44 C62 C6 121.7(4) . . ?
C44 C62 H62 119.1 . . ?
C32 C64 H64 115.2 . . ?
C108 C64 C32 129.6(4) . . ?
C108 C64 H64 115.2 . . ?
C48 C66 H66 119.4 . . ?
C114 C66 C48 121.2(4) . . ?
C114 C66 H66 119.4 . . ?
C60 C68 H68 119.4 . . ?
C60 C68 C72 121.2(4) . . ?
C72 C68 H68 119.4 . . ?
C98 C70 C58 121.7(4) . . ?
C114 C70 C58 120.6(4) . . ?
C114 C70 C98 116.6(4) . . ?
C68 C72 C28 120.7(4) . . ?
C124 C72 C28 121.9(4) . . ?
C124 C72 C68 116.1(4) . . ?
C38 C74 H74 119.2 . . ?
C96 C74 C38 121.6(4) . . ?
C96 C74 H74 119.2 . . ?
C40 C76 H76 119.4 . . ?
C56 C76 C40 121.1(4) . . ?
C56 C76 H76 119.4 . . ?
C16 C78 H78 118.8 . . ?
C124 C78 C16 122.4(5) . . ?
C124 C78 H78 118.8 . . ?
C20 C80 H80 115.7 . . ?
C104 C80 C20 128.6(4) . . ?
C104 C80 H80 115.7 . . ?
C94 C82 C14 121.7(4) . . ?
C94 C82 C116 115.6(4) . . ?
C116 C82 C14 121.5(4) . . ?
C38 C84 H84 119.3 . . ?
C54 C84 C38 121.4(4) . . ?
C54 C84 H84 119.3 . . ?
C14 C86 H86 119.1 . . ?
C14 C86 C110 121.7(4) . . ?
C110 C86 H86 119.1 . . ?
C40 C88 H88 119.4 . . ?
C50 C88 C40 121.1(4) . . ?
C50 C88 H88 119.4 . . ?
C58 C90 H90 119.2 . . ?
C102 C90 C58 121.6(5) . . ?
C102 C90 H90 119.2 . . ?
C58 C92 H92 119.4 . . ?
C58 C92 C100 121.3(4) . . ?
C100 C92 H92 119.4 . . ?
C26 C94 C82 122.1(4) . . ?
C26 C94 H94 119.0 . . ?
C82 C94 H94 119.0 . . ?
C12 C96 H96 119.7 . . ?
C74 C96 C12 120.6(4) . . ?
C74 C96 H96 119.7 . . ?
C70 C98 H98 119.1 . . ?
C126 C98 C70 121.8(4) . . ?
C126 C98 H98 119.1 . . ?
C1 C100 C92 121.8(5) . . ?
C1 C100 H100 119.1 . . ?
C92 C100 H100 119.1 . . ?
C1 C102 H102 119.3 . . ?
C90 C102 C1 121.5(5) . . ?
C90 C102 H102 119.3 . . ?
C80 C104 H104 115.7 . . ?
C132 C104 C80 128.6(4) . . ?
C132 C104 H104 115.7 . . ?
C22 C106 H106 119.2 . . ?
C24 C106 C22 121.6(4) . . ?
C24 C106 H106 119.2 . . ?
C64 C108 H108 115.7 . . ?
C64 C108 C132 128.6(4) . . ?
C132 C108 H108 115.7 . . ?
C6 C110 H110 119.5 . . ?
C86 C110 C6 121.0(4) . . ?
C86 C110 H110 119.5 . . ?
C66 C114 H114 119.3 . . ?
C70 C114 C66 121.4(4) . . ?
C70 C114 H114 119.3 . . ?
C18 C116 C82 121.8(4) . . ?
C18 C116 H116 119.1 . . ?
C82 C116 H116 119.1 . . ?
C72 C124 H124 119.4 . . ?
C78 C124 C72 121.2(5) . . ?
C78 C124 H124 119.4 . . ?
C48 C126 H126 119.6 . . ?
C98 C126 C48 120.8(4) . . ?
C98 C126 H126 119.6 . . ?
C104 C132 C108 130.3(4) . . ?
C104 C132 H132 114.8 . . ?
C108 C132 H132 114.8 . . ?
C34 C136 H136 119.5 . . ?
C34 C136 C138 121.0(5) . . ?
C138 C136 H136 119.5 . . ?
C28 C138 H138 119.0 . . ?
C136 C138 C28 121.9(5) . . ?
C136 C138 H138 119.0 . . ?
C9 C140 H140 118.5 . . ?
C28 C140 C9 122.9(5) . . ?
C28 C140 H140 118.5 . . ?
C7 C2 C99 118.6(8) . . ?
C7 C2 C105 118.3(9) . . ?
C99 C2 C105 111.4(8) . . ?
C67 C3 C101 108.4(8) . . ?
C67 C3 C119 120.4(6) . . ?
C119 C3 C101 119.0(7) . . ?
C39 C5 C121 118.9(5) . . ?
C39 C5 C127 123.4(7) . . ?
C127 C5 C121 105.7(6) . . ?
C2 C7 C83 120.5(9) . . ?
C2 C7 C85 119.3(8) . . ?
C83 C7 C85 107.8(6) . . ?
C61 C11 C125 121.2(6) . . ?
C61 C11 C144 119.9(6) . . ?
C144 C11 C125 107.5(6) . . ?
C99 C13 C31 108.5(7) . . ?
C111 C13 C31 120.6(8) . . ?
C111 C13 C99 119.3(7) . . ?
C67 C17 C93 109.1(8) . . ?
C129 C17 C67 123.3(9) . . ?
C129 C17 C93 116.4(8) . . ?
C43 C19 C61 121.0(6) . . ?
C43 C19 C63 121.6(6) . . ?
C61 C19 C63 105.6(6) . . ?
C45 C21 C61 119.4(6) . . ?
C45 C21 C79 118.7(6) . . ?
C79 C21 C61 110.5(6) . . ?
C59 C23 C105 117.7(7) . . ?
C59 C23 C113 110.7(7) . . ?
C105 C23 C113 120.1(7) . . ?
C73 C25 C55 107.3(7) . . ?
C93 C25 C55 121.9(7) . . ?
C93 C25 C73 118.7(6) . . ?
C47 C27 C109 108.8(6) . . ?
C83 C27 C47 122.0(6) . . ?
C83 C27 C109 117.9(6) . . ?
C63 C29 C47 117.5(6) . . ?
C63 C29 C89 122.4(7) . . ?
C89 C29 C47 108.8(6) . . ?
C33 C31 C13 120.7(7) . . ?
C33 C31 C105 119.7(7) . . ?
C105 C31 C13 107.5(8) . . ?
C31 C33 C65 119.0(7) . . ?
C55 C33 C31 120.9(7) . . ?
C55 C33 C65 107.9(7) . . ?
C81 C37 C43 108.6(6) . . ?
C81 C37 C144 120.0(6) . . ?
C144 C37 C43 119.1(5) . . ?
C5 C39 C53 118.2(5) . . ?
C5 C39 C83 118.8(5) . . ?
C53 C39 C83 111.0(5) . . ?
C19 C43 C37 119.7(6) . . ?
C19 C43 C122 119.4(6) . . ?
C122 C43 C37 109.1(6) . . ?
C21 C45 C69 122.5(7) . . ?
C21 C45 C117 119.2(6) . . ?
C117 C45 C69 106.3(7) . . ?
C27 C47 C29 105.6(6) . . ?
C121 C47 C27 120.9(6) . . ?
C121 C47 C29 121.1(7) . . ?
C103 C49 C117 120.5(7) . . ?
C103 C49 C127 107.8(7) . . ?
C117 C49 C127 118.9(7) . . ?
C120 C51 C57 107.0(7) . . ?
C127 C51 C57 117.9(8) . . ?
C127 C51 C120 123.8(8) . . ?
C85 C53 C39 109.7(6) . . ?
C120 C53 C39 116.8(5) . . ?
C120 C53 C85 120.6(6) . . ?
C33 C55 C25 109.9(7) . . ?
C33 C55 C59 122.4(7) . . ?
C59 C55 C25 116.3(7) . . ?
C123 C57 C51 119.4(8) . . ?
C123 C57 C142 125.7(8) . . ?
C142 C57 C51 103.1(7) . . ?
C23 C59 C129 104.2(7) . . ?
C55 C59 C23 120.8(7) . . ?
C55 C59 C129 121.7(7) . . ?
C11 C61 C19 119.7(6) . . ?
C11 C61 C21 118.1(6) . . ?
C19 C61 C21 109.6(6) . . ?
C19 C63 C79 109.1(7) . . ?
C29 C63 C19 117.4(7) . . ?
C29 C63 C79 120.9(7) . . ?
C73 C65 C33 107.9(6) . . ?
C81 C65 C33 121.0(7) . . ?
C81 C65 C73 118.9(7) . . ?
C17 C67 C3 107.5(7) . . ?
C17 C67 C142 123.7(8) . . ?
C142 C67 C3 116.0(7) . . ?
C119 C69 C45 111.0(8) . . ?
C125 C69 C45 117.9(8) . . ?
C125 C69 C119 119.1(8) . . ?
C65 C73 C25 106.9(6) . . ?
C134 C73 C25 119.2(5) . . ?
C134 C73 C65 122.0(6) . . ?
C21 C79 C63 105.2(6) . . ?
C103 C79 C21 120.6(6) . . ?
C103 C79 C63 121.9(6) . . ?
C37 C81 C111 106.9(7) . . ?
C65 C81 C37 123.5(7) . . ?
C65 C81 C111 118.6(7) . . ?
C27 C83 C7 121.7(6) . . ?
C27 C83 C39 120.2(6) . . ?
C39 C83 C7 105.6(6) . . ?
C53 C85 C7 105.9(6) . . ?
C113 C85 C7 122.3(7) . . ?
C113 C85 C53 119.6(7) . . ?
C120 C87 C131 117.9(7) . . ?
C142 C87 C120 110.7(7) . . ?
C142 C87 C131 119.3(7) . . ?
C29 C89 C109 108.0(6) . . ?
C29 C89 C122 122.6(6) . . ?
C122 C89 C109 116.3(6) . . ?
C101 C91 C125 122.3(6) . . ?
C101 C91 C134 120.8(6) . . ?
C134 C91 C125 105.1(5) . . ?
C25 C93 C17 121.1(8) . . ?
C25 C93 C101 122.0(6) . . ?
C101 C93 C17 104.8(7) . . ?
C2 C99 C13 106.5(8) . . ?
C109 C99 C2 122.3(7) . . ?
C109 C99 C13 119.0(6) . . ?
C91 C101 C3 117.8(7) . . ?
C91 C101 C93 120.3(6) . . ?
C93 C101 C3 110.2(7) . . ?
C49 C103 C79 121.5(7) . . ?
C49 C103 C121 109.2(7) . . ?
C79 C103 C121 117.6(7) . . ?
C23 C105 C2 123.1(8) . . ?
C23 C105 C31 118.4(7) . . ?
C31 C105 C2 106.1(7) . . ?
C89 C109 C27 108.9(6) . . ?
C99 C109 C27 119.0(6) . . ?
C99 C109 C89 120.4(6) . . ?
C13 C111 C81 120.0(7) . . ?
C13 C111 C122 123.3(7) . . ?
C122 C111 C81 104.6(6) . . ?
C85 C113 C23 116.8(7) . . ?
C85 C113 C131 120.1(7) . . ?
C131 C113 C23 110.8(7) . . ?
C49 C117 C45 119.5(6) . . ?
C49 C117 C123 120.5(8) . . ?
C123 C117 C45 108.2(8) . . ?
C3 C119 C69 122.9(7) . . ?
C3 C119 C123 119.7(7) . . ?
C69 C119 C123 105.2(8) . . ?
C53 C120 C51 119.8(6) . . ?
C53 C120 C87 120.1(6) . . ?
C87 C120 C51 107.7(7) . . ?
C47 C121 C5 119.3(6) . . ?
C47 C121 C103 120.9(7) . . ?
C103 C121 C5 108.1(7) . . ?
C89 C122 C43 116.5(5) . . ?
C111 C122 C43 110.8(6) . . ?
C111 C122 C89 121.7(6) . . ?
C57 C123 C117 122.0(10) . . ?
C57 C123 C119 117.4(8) . . ?
C117 C123 C119 109.3(8) . . ?
C11 C125 C91 107.3(5) . . ?
C69 C125 C11 120.9(7) . . ?
C69 C125 C91 119.0(8) . . ?
C5 C127 C49 109.3(7) . . ?
C51 C127 C5 118.0(8) . . ?
C51 C127 C49 121.3(8) . . ?
C17 C129 C59 122.5(8) . . ?
C17 C129 C131 116.3(9) . . ?
C131 C129 C59 109.2(8) . . ?
C87 C131 C129 121.2(8) . . ?
C113 C131 C87 121.6(7) . . ?
C113 C131 C129 105.0(7) . . ?
C73 C134 C91 119.1(5) . . ?
C73 C134 C144 117.7(5) . . ?
C91 C134 C144 111.0(5) . . ?
C57 C142 C67 120.8(7) . . ?
C57 C142 C87 111.5(7) . . ?
C87 C142 C67 116.0(7) . . ?
C11 C144 C134 109.2(5) . . ?
C37 C144 C11 120.6(5) . . ?
C37 C144 C134 117.8(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl01 C112 C130 C41 179.7(4) . . . . ?
C75 C77 C112 Cl01 -180.0(4) . . . . ?
C75 C77 C112 C130 1.2(8) . . . . ?
C77 C75 C128 C41 -2.5(9) . . . . ?
C77 C112 C130 C41 -1.5(8) . . . . ?
C128 C41 C130 C112 -0.2(8) . . . . ?
C128 C75 C77 C112 0.8(8) . . . . ?
C130 C41 C128 C75 2.2(8) . . . . ?
Cl1 C118 C133 C115 -179.7(8) . . . . ?
Cl03 C118 C133 C115 -179.4(5) . . . . ?
C97 C118 C133 C115 0.8(9) . . . . ?
C115 C135 C139 C97 2.2(13) . . . . ?
C118 C97 C139 C135 -1.5(12) . . . . ?
C133 C115 C135 C139 -1.3(12) . . . . ?
C135 C115 C133 C118 -0.3(10) . . . . ?
C139 C97 C118 Cl1 -179.7(7) . . . . ?
C139 C97 C118 Cl03 -179.7(6) . . . . ?
C139 C97 C118 C133 0.1(10) . . . . ?
C15 C141 C143 C35 -0.9(14) . . . . ?
C35 C95 C137 Cl05 -175.0(5) . . . . ?
C35 C95 C137 C15 5.0(10) . . . . ?
C95 C35 C143 C141 3.4(13) . . . . ?
C137 C15 C141 C143 0.4(12) . . . . ?
C141 C15 C137 Cl05 177.2(6) . . . . ?
C141 C15 C137 C95 -2.8(11) . . . . ?
C143 C35 C95 C137 -5.4(11) . . . . ?
C1 C34 C136 C138 157.3(5) . . . . ?
C4 C24 C106 C22 -0.1(6) . . . . ?
C4 C38 C74 C96 157.1(4) . . . . ?
C4 C38 C84 C54 -157.4(4) . . . . ?
C4 C46 C52 C22 1.0(5) . . . . ?
C6 C10 C32 C20 168.4(4) . . . . ?
C6 C10 C32 C64 -15.0(7) . . . . ?
C8 C10 C32 C20 -3.5(5) . . . . ?
C8 C10 C32 C64 173.1(4) . . . . ?
C8 C36 C40 C76 46.8(6) . . . . ?
C8 C36 C40 C88 -121.9(5) . . . . ?
C9 C34 C136 C138 -10.2(8) . . . . ?
C10 C6 C62 C44 164.0(4) . . . . ?
C10 C6 C110 C86 -164.0(4) . . . . ?
C10 C8 C36 C20 -4.1(5) . . . . ?
C10 C8 C36 C40 168.5(4) . . . . ?
C10 C32 C64 C108 -174.1(4) . . . . ?
C12 C30 C50 C88 -166.3(4) . . . . ?
C12 C30 C56 C76 164.9(4) . . . . ?
C12 C54 C84 C38 -0.1(6) . . . . ?
C14 C44 C62 C6 -0.1(6) . . . . ?
C14 C82 C94 C26 -158.5(4) . . . . ?
C14 C82 C116 C18 158.5(4) . . . . ?
C14 C86 C110 C6 0.4(7) . . . . ?
C16 C60 C68 C72 0.5(6) . . . . ?
C16 C78 C124 C72 0.0(6) . . . . ?
C20 C32 C64 C108 1.9(8) . . . . ?
C20 C36 C40 C76 -142.4(5) . . . . ?
C20 C36 C40 C88 48.9(7) . . . . ?
C20 C80 C104 C132 1.5(9) . . . . ?
C22 C48 C66 C114 157.8(4) . . . . ?
C22 C48 C126 C98 -157.5(4) . . . . ?
C24 C4 C38 C74 175.2(4) . . . . ?
C24 C4 C38 C84 -18.7(5) . . . . ?
C24 C4 C46 C52 7.6(5) . . . . ?
C28 C72 C124 C78 158.8(4) . . . . ?
C30 C12 C54 C84 161.1(4) . . . . ?
C30 C12 C96 C74 -160.9(4) . . . . ?
C30 C50 C88 C40 2.1(6) . . . . ?
C30 C56 C76 C40 0.9(6) . . . . ?
C32 C20 C36 C8 1.7(5) . . . . ?
C32 C20 C36 C40 -170.1(4) . . . . ?
C32 C20 C80 C104 -2.4(8) . . . . ?
C32 C64 C108 C132 -1.8(8) . . . . ?
C34 C1 C100 C92 158.2(4) . . . . ?
C34 C1 C102 C90 -158.8(4) . . . . ?
C34 C9 C140 C28 0.4(8) . . . . ?
C34 C136 C138 C28 0.1(9) . . . . ?
C36 C8 C10 C6 -167.8(4) . . . . ?
C36 C8 C10 C32 4.9(5) . . . . ?
C36 C20 C32 C10 1.2(5) . . . . ?
C36 C20 C32 C64 -175.4(4) . . . . ?
C36 C20 C80 C104 172.8(5) . . . . ?
C36 C40 C76 C56 -164.0(4) . . . . ?
C36 C40 C88 C50 162.3(4) . . . . ?
C38 C4 C24 C106 157.8(4) . . . . ?
C38 C4 C46 C52 -158.5(3) . . . . ?
C38 C74 C96 C12 0.0(6) . . . . ?
C42 C16 C60 C68 159.4(4) . . . . ?
C42 C16 C78 C124 -159.6(4) . . . . ?
C42 C18 C116 C82 0.2(6) . . . . ?
C42 C26 C94 C82 0.0(6) . . . . ?
C44 C14 C82 C94 146.1(4) . . . . ?
C44 C14 C82 C116 -20.9(5) . . . . ?
C44 C14 C86 C110 -5.3(6) . . . . ?
C46 C4 C24 C106 -8.1(5) . . . . ?
C46 C4 C38 C74 -19.5(5) . . . . ?
C46 C4 C38 C84 146.6(4) . . . . ?
C48 C22 C52 C46 158.5(3) . . . . ?
C48 C22 C106 C24 -158.7(4) . . . . ?
C48 C66 C114 C70 -0.7(6) . . . . ?
C50 C30 C56 C76 -5.6(6) . . . . ?
C52 C22 C48 C66 -146.2(4) . . . . ?
C52 C22 C48 C126 20.3(6) . . . . ?
C52 C22 C106 C24 8.7(6) . . . . ?
C54 C12 C30 C50 21.6(5) . . . . ?
C54 C12 C30 C56 -148.4(4) . . . . ?
C54 C12 C96 C74 9.4(6) . . . . ?
C56 C30 C50 C88 4.1(6) . . . . ?
C58 C70 C98 C126 157.6(4) . . . . ?
C58 C70 C114 C66 -157.7(4) . . . . ?
C58 C90 C102 C1 0.0(8) . . . . ?
C58 C92 C100 C1 1.2(7) . . . . ?
C60 C16 C42 C18 9.9(5) . . . . ?
C60 C16 C42 C26 -157.3(4) . . . . ?
C60 C16 C78 C124 8.2(6) . . . . ?
C60 C68 C72 C28 -159.3(4) . . . . ?
C60 C68 C72 C124 7.8(6) . . . . ?
C62 C6 C10 C8 -45.6(6) . . . . ?
C62 C6 C10 C32 143.6(4) . . . . ?
C62 C6 C110 C86 4.7(6) . . . . ?
C64 C108 C132 C104 0.0(9) . . . . ?
C66 C48 C126 C98 9.4(6) . . . . ?
C68 C72 C124 C78 -8.0(6) . . . . ?
C70 C58 C90 C102 158.7(4) . . . . ?
C70 C58 C92 C100 -159.4(4) . . . . ?
C70 C98 C126 C48 0.6(7) . . . . ?
C72 C28 C138 C136 -157.3(5) . . . . ?
C72 C28 C140 C9 156.8(5) . . . . ?
C74 C38 C84 C54 9.5(5) . . . . ?
C76 C40 C88 C50 -6.7(6) . . . . ?
C78 C16 C42 C18 177.0(4) . . . . ?
C78 C16 C42 C26 9.8(6) . . . . ?
C78 C16 C60 C68 -8.5(6) . . . . ?
C80 C20 C32 C10 177.1(4) . . . . ?
C80 C20 C32 C64 0.5(7) . . . . ?
C80 C20 C36 C8 -174.3(4) . . . . ?
C80 C20 C36 C40 13.9(8) . . . . ?
C80 C104 C132 C108 0.3(9) . . . . ?
C82 C14 C44 C62 -163.8(4) . . . . ?
C82 C14 C86 C110 163.3(4) . . . . ?
C84 C38 C74 C96 -9.4(6) . . . . ?
C86 C14 C44 C62 5.2(6) . . . . ?
C86 C14 C82 C94 -22.2(6) . . . . ?
C86 C14 C82 C116 170.9(4) . . . . ?
C88 C40 C76 C56 5.2(6) . . . . ?
C90 C58 C70 C98 -178.9(4) . . . . ?
C90 C58 C70 C114 -11.1(6) . . . . ?
C90 C58 C92 C100 8.1(6) . . . . ?
C92 C58 C70 C98 -12.1(6) . . . . ?
C92 C58 C70 C114 155.6(4) . . . . ?
C92 C58 C90 C102 -8.6(7) . . . . ?
C94 C26 C42 C16 158.7(4) . . . . ?
C94 C26 C42 C18 -9.1(6) . . . . ?
C94 C82 C116 C18 -9.2(5) . . . . ?
C96 C12 C30 C50 -168.4(4) . . . . ?
C96 C12 C30 C56 21.6(5) . . . . ?
C96 C12 C54 C84 -9.4(5) . . . . ?
C98 C70 C114 C66 10.7(6) . . . . ?
C100 C1 C34 C9 0.7(7) . . . . ?
C100 C1 C34 C136 -166.2(5) . . . . ?
C100 C1 C102 C90 9.2(7) . . . . ?
C102 C1 C34 C9 168.1(4) . . . . ?
C102 C1 C34 C136 1.2(7) . . . . ?
C102 C1 C100 C92 -9.8(7) . . . . ?
C106 C22 C48 C66 20.8(6) . . . . ?
C106 C22 C48 C126 -172.8(4) . . . . ?
C106 C22 C52 C46 -9.2(5) . . . . ?
C110 C6 C10 C8 122.7(5) . . . . ?
C110 C6 C10 C32 -48.1(6) . . . . ?
C110 C6 C62 C44 -4.8(6) . . . . ?
C114 C70 C98 C126 -10.6(6) . . . . ?
C116 C18 C42 C16 -158.8(4) . . . . ?
C116 C18 C42 C26 9.0(6) . . . . ?
C116 C82 C94 C26 9.2(5) . . . . ?
C126 C48 C66 C114 -9.4(6) . . . . ?
C138 C28 C72 C68 163.1(4) . . . . ?
C138 C28 C72 C124 -3.2(6) . . . . ?
C138 C28 C140 C9 -10.4(7) . . . . ?
C140 C9 C34 C1 -157.4(5) . . . . ?
C140 C9 C34 C136 10.0(7) . . . . ?
C140 C28 C72 C68 -3.4(6) . . . . ?
C140 C28 C72 C124 -169.6(4) . . . . ?
C140 C28 C138 C136 10.1(8) . . . . ?
C2 C7 C83 C27 -1.2(9) . . . . ?
C2 C7 C83 C39 -143.0(6) . . . . ?
C2 C7 C85 C53 143.7(6) . . . . ?
C2 C7 C85 C113 1.7(9) . . . . ?
C2 C99 C109 C27 -1.0(9) . . . . ?
C2 C99 C109 C89 138.0(6) . . . . ?
C3 C67 C142 C57 1.4(8) . . . . ?
C3 C67 C142 C87 141.3(6) . . . . ?
C3 C119 C123 C57 2.2(9) . . . . ?
C3 C119 C123 C117 -142.2(6) . . . . ?
C5 C39 C53 C85 -142.1(5) . . . . ?
C5 C39 C53 C120 -0.2(7) . . . . ?
C5 C39 C83 C7 142.8(5) . . . . ?
C5 C39 C83 C27 0.2(7) . . . . ?
C7 C2 C99 C13 143.9(6) . . . . ?
C7 C2 C99 C109 2.2(10) . . . . ?
C7 C2 C105 C23 -3.0(9) . . . . ?
C7 C2 C105 C31 -144.1(6) . . . . ?
C7 C85 C113 C23 -2.9(8) . . . . ?
C7 C85 C113 C131 136.0(6) . . . . ?
C13 C31 C33 C55 138.0(6) . . . . ?
C13 C31 C33 C65 0.1(9) . . . . ?
C13 C31 C105 C2 1.0(6) . . . . ?
C13 C31 C105 C23 -142.3(5) . . . . ?
C13 C99 C109 C27 -138.2(6) . . . . ?
C13 C99 C109 C89 0.7(8) . . . . ?
C13 C111 C122 C43 141.9(6) . . . . ?
C13 C111 C122 C89 -0.6(8) . . . . ?
C17 C67 C142 C57 -135.2(7) . . . . ?
C17 C67 C142 C87 4.6(8) . . . . ?
C17 C93 C101 C3 -0.8(7) . . . . ?
C17 C93 C101 C91 -142.9(6) . . . . ?
C17 C129 C131 C87 3.0(9) . . . . ?
C17 C129 C131 C113 145.8(7) . . . . ?
C19 C43 C122 C89 2.0(7) . . . . ?
C19 C43 C122 C111 -142.7(5) . . . . ?
C19 C63 C79 C21 2.0(6) . . . . ?
C19 C63 C79 C103 -140.3(6) . . . . ?
C21 C45 C69 C119 -140.0(6) . . . . ?
C21 C45 C69 C125 2.4(10) . . . . ?
C21 C45 C117 C49 -0.8(8) . . . . ?
C21 C45 C117 C123 142.3(6) . . . . ?
C21 C79 C103 C49 0.9(8) . . . . ?
C21 C79 C103 C121 -138.3(6) . . . . ?
C23 C59 C129 C17 -142.3(7) . . . . ?
C23 C59 C129 C131 -1.1(6) . . . . ?
C23 C113 C131 C87 140.6(6) . . . . ?
C23 C113 C131 C129 -1.9(6) . . . . ?
C25 C55 C59 C23 138.4(6) . . . . ?
C25 C55 C59 C129 3.6(9) . . . . ?
C25 C73 C134 C91 -0.2(7) . . . . ?
C25 C73 C134 C144 -139.1(5) . . . . ?
C25 C93 C101 C3 141.8(6) . . . . ?
C25 C93 C101 C91 -0.4(9) . . . . ?
C27 C47 C121 C5 -0.3(9) . . . . ?
C27 C47 C121 C103 138.2(6) . . . . ?
C29 C47 C121 C5 -137.0(6) . . . . ?
C29 C47 C121 C103 1.5(9) . . . . ?
C29 C63 C79 C21 142.8(6) . . . . ?
C29 C63 C79 C103 0.5(9) . . . . ?
C29 C89 C109 C27 0.0(6) . . . . ?
C29 C89 C109 C99 -142.6(5) . . . . ?
C29 C89 C122 C43 -4.0(8) . . . . ?
C29 C89 C122 C111 136.6(6) . . . . ?
C31 C13 C99 C2 -0.9(6) . . . . ?
C31 C13 C99 C109 142.3(5) . . . . ?
C31 C13 C111 C81 -1.3(8) . . . . ?
C31 C13 C111 C122 -137.9(6) . . . . ?
C31 C33 C55 C25 -141.7(6) . . . . ?
C31 C33 C55 C59 0.4(9) . . . . ?
C31 C33 C65 C73 142.3(6) . . . . ?
C31 C33 C65 C81 0.5(9) . . . . ?
C33 C31 C105 C2 143.9(6) . . . . ?
C33 C31 C105 C23 0.5(8) . . . . ?
C33 C55 C59 C23 -1.5(9) . . . . ?
C33 C55 C59 C129 -136.3(7) . . . . ?
C33 C65 C73 C25 0.6(6) . . . . ?
C33 C65 C73 C134 -141.7(5) . . . . ?
C33 C65 C81 C37 138.1(6) . . . . ?
C33 C65 C81 C111 -1.3(8) . . . . ?
C37 C43 C122 C89 145.0(5) . . . . ?
C37 C43 C122 C111 0.3(6) . . . . ?
C37 C81 C111 C13 -143.6(6) . . . . ?
C37 C81 C111 C122 0.0(6) . . . . ?
C39 C5 C121 C47 0.1(8) . . . . ?
C39 C5 C121 C103 -143.2(5) . . . . ?
C39 C5 C127 C49 141.4(6) . . . . ?
C39 C5 C127 C51 -2.6(9) . . . . ?
C39 C53 C85 C7 -1.0(6) . . . . ?
C39 C53 C85 C113 142.2(5) . . . . ?
C39 C53 C120 C51 -1.3(7) . . . . ?
C39 C53 C120 C87 -138.7(5) . . . . ?
C43 C19 C61 C11 -0.2(8) . . . . ?
C43 C19 C61 C21 -141.3(5) . . . . ?
C43 C19 C63 C29 -1.6(8) . . . . ?
C43 C19 C63 C79 140.6(5) . . . . ?
C43 C37 C81 C65 -143.1(6) . . . . ?
C43 C37 C81 C111 0.2(5) . . . . ?
C43 C37 C144 C11 0.9(7) . . . . ?
C43 C37 C144 C134 138.9(5) . . . . ?
C45 C21 C61 C11 0.2(8) . . . . ?
C45 C21 C61 C19 142.0(5) . . . . ?
C45 C21 C79 C63 -143.9(5) . . . . ?
C45 C21 C79 C103 -1.0(7) . . . . ?
C45 C69 C119 C3 139.9(7) . . . . ?
C45 C69 C119 C123 -2.0(7) . . . . ?
C45 C69 C125 C11 -1.8(9) . . . . ?
C45 C69 C125 C91 -138.3(7) . . . . ?
C45 C117 C123 C57 -142.4(7) . . . . ?
C45 C117 C123 C119 0.0(7) . . . . ?
C47 C27 C83 C7 -137.1(6) . . . . ?
C47 C27 C83 C39 -0.5(8) . . . . ?
C47 C27 C109 C89 -0.2(6) . . . . ?
C47 C27 C109 C99 143.0(6) . . . . ?
C47 C29 C63 C19 139.2(6) . . . . ?
C47 C29 C63 C79 1.5(9) . . . . ?
C47 C29 C89 C109 0.2(6) . . . . ?
C47 C29 C89 C122 -139.3(6) . . . . ?
C49 C103 C121 C5 -0.7(6) . . . . ?
C49 C103 C121 C47 -143.2(6) . . . . ?
C49 C117 C123 C57 0.3(9) . . . . ?
C49 C117 C123 C119 142.8(7) . . . . ?
C51 C57 C123 C117 0.7(9) . . . . ?
C51 C57 C123 C119 -138.9(6) . . . . ?
C51 C57 C142 C67 142.5(6) . . . . ?
C51 C57 C142 C87 1.0(6) . . . . ?
C53 C39 C83 C7 0.8(6) . . . . ?
C53 C39 C83 C27 -141.8(5) . . . . ?
C53 C85 C113 C23 -140.0(6) . . . . ?
C53 C85 C113 C131 -1.1(8) . . . . ?
C55 C25 C73 C65 -0.4(6) . . . . ?
C55 C25 C73 C134 143.1(5) . . . . ?
C55 C25 C93 C17 -0.7(10) . . . . ?
C55 C25 C93 C101 -137.3(7) . . . . ?
C55 C33 C65 C73 -0.5(7) . . . . ?
C55 C33 C65 C81 -142.4(6) . . . . ?
C55 C59 C129 C17 -1.3(10) . . . . ?
C55 C59 C129 C131 139.9(6) . . . . ?
C57 C51 C120 C53 -141.6(5) . . . . ?
C57 C51 C120 C87 0.5(5) . . . . ?
C57 C51 C127 C5 139.7(6) . . . . ?
C57 C51 C127 C49 0.3(9) . . . . ?
C59 C23 C105 C2 -138.3(7) . . . . ?
C59 C23 C105 C31 -1.6(8) . . . . ?
C59 C23 C113 C85 143.8(6) . . . . ?
C59 C23 C113 C131 1.3(7) . . . . ?
C59 C129 C131 C87 -140.9(6) . . . . ?
C59 C129 C131 C113 1.9(6) . . . . ?
C61 C11 C125 C69 0.4(9) . . . . ?
C61 C11 C125 C91 141.4(5) . . . . ?
C61 C11 C144 C37 -1.7(8) . . . . ?
C61 C11 C144 C134 -142.9(5) . . . . ?
C61 C19 C43 C37 -0.6(8) . . . . ?
C61 C19 C43 C122 138.4(5) . . . . ?
C61 C19 C63 C29 -144.9(6) . . . . ?
C61 C19 C63 C79 -2.6(6) . . . . ?
C61 C21 C45 C69 -1.6(9) . . . . ?
C61 C21 C45 C117 -139.0(6) . . . . ?
C61 C21 C79 C63 -0.6(6) . . . . ?
C61 C21 C79 C103 142.3(5) . . . . ?
C63 C19 C43 C37 -138.4(6) . . . . ?
C63 C19 C43 C122 0.7(8) . . . . ?
C63 C19 C61 C11 143.4(6) . . . . ?
C63 C19 C61 C21 2.2(6) . . . . ?
C63 C29 C47 C27 -144.9(6) . . . . ?
C63 C29 C47 C121 -2.6(9) . . . . ?
C63 C29 C89 C109 142.7(6) . . . . ?
C63 C29 C89 C122 3.2(9) . . . . ?
C63 C79 C103 C49 137.5(6) . . . . ?
C63 C79 C103 C121 -1.6(9) . . . . ?
C65 C33 C55 C25 0.2(7) . . . . ?
C65 C33 C55 C59 142.4(6) . . . . ?
C65 C73 C134 C91 137.7(5) . . . . ?
C65 C73 C134 C144 -1.3(7) . . . . ?
C65 C81 C111 C13 1.8(8) . . . . ?
C65 C81 C111 C122 145.4(5) . . . . ?
C67 C3 C101 C91 143.8(6) . . . . ?
C67 C3 C101 C93 0.6(7) . . . . ?
C67 C3 C119 C69 -137.1(7) . . . . ?
C67 C3 C119 C123 -0.4(8) . . . . ?
C67 C17 C93 C25 -142.2(7) . . . . ?
C67 C17 C93 C101 0.8(7) . . . . ?
C67 C17 C129 C59 137.8(7) . . . . ?
C67 C17 C129 C131 -0.9(10) . . . . ?
C69 C45 C117 C49 -144.4(6) . . . . ?
C69 C45 C117 C123 -1.2(6) . . . . ?
C69 C119 C123 C57 145.6(6) . . . . ?
C69 C119 C123 C117 1.2(7) . . . . ?
C73 C25 C55 C33 0.1(7) . . . . ?
C73 C25 C55 C59 -144.5(6) . . . . ?
C73 C25 C93 C17 137.1(6) . . . . ?
C73 C25 C93 C101 0.5(9) . . . . ?
C73 C65 C81 C37 0.2(9) . . . . ?
C73 C65 C81 C111 -139.1(5) . . . . ?
C73 C134 C144 C11 142.6(5) . . . . ?
C73 C134 C144 C37 0.2(7) . . . . ?
C79 C21 C45 C69 138.4(6) . . . . ?
C79 C21 C45 C117 1.0(7) . . . . ?
C79 C21 C61 C11 -142.9(6) . . . . ?
C79 C21 C61 C19 -1.0(6) . . . . ?
C79 C103 C121 C5 143.1(6) . . . . ?
C79 C103 C121 C47 0.5(9) . . . . ?
C81 C37 C43 C19 142.5(5) . . . . ?
C81 C37 C43 C122 -0.3(5) . . . . ?
C81 C37 C144 C11 -137.0(6) . . . . ?
C81 C37 C144 C134 1.0(7) . . . . ?
C81 C65 C73 C25 143.4(6) . . . . ?
C81 C65 C73 C134 1.1(8) . . . . ?
C81 C111 C122 C43 -0.2(6) . . . . ?
C81 C111 C122 C89 -142.7(5) . . . . ?
C83 C7 C85 C53 1.5(6) . . . . ?
C83 C7 C85 C113 -140.5(6) . . . . ?
C83 C27 C47 C29 143.0(5) . . . . ?
C83 C27 C47 C121 0.6(9) . . . . ?
C83 C27 C109 C89 -144.6(5) . . . . ?
C83 C27 C109 C99 -1.4(8) . . . . ?
C83 C39 C53 C85 0.2(6) . . . . ?
C83 C39 C53 C120 142.1(5) . . . . ?
C85 C7 C83 C27 140.5(6) . . . . ?
C85 C7 C83 C39 -1.4(6) . . . . ?
C85 C53 C120 C51 136.3(6) . . . . ?
C85 C53 C120 C87 -1.1(8) . . . . ?
C85 C113 C131 C87 -0.5(9) . . . . ?
C85 C113 C131 C129 -143.1(6) . . . . ?
C89 C29 C47 C27 -0.3(6) . . . . ?
C89 C29 C47 C121 141.9(6) . . . . ?
C89 C29 C63 C19 -0.3(9) . . . . ?
C89 C29 C63 C79 -137.9(6) . . . . ?
C91 C134 C144 C11 0.5(6) . . . . ?
C91 C134 C144 C37 -141.9(5) . . . . ?
C93 C17 C67 C3 -0.4(7) . . . . ?
C93 C17 C67 C142 139.3(7) . . . . ?
C93 C17 C129 C59 -2.0(10) . . . . ?
C93 C17 C129 C131 -140.7(6) . . . . ?
C93 C25 C55 C33 142.0(7) . . . . ?
C93 C25 C55 C59 -2.6(9) . . . . ?
C93 C25 C73 C65 -143.8(5) . . . . ?
C93 C25 C73 C134 -0.2(8) . . . . ?
C99 C2 C7 C83 -1.2(9) . . . . ?
C99 C2 C7 C85 -138.6(7) . . . . ?
C99 C2 C105 C23 139.5(6) . . . . ?
C99 C2 C105 C31 -1.6(7) . . . . ?
C99 C13 C31 C33 -142.5(6) . . . . ?
C99 C13 C31 C105 -0.1(6) . . . . ?
C99 C13 C111 C81 137.8(6) . . . . ?
C99 C13 C111 C122 1.1(9) . . . . ?
C101 C3 C67 C17 0.0(7) . . . . ?
C101 C3 C67 C142 -143.3(5) . . . . ?
C101 C3 C119 C69 1.0(10) . . . . ?
C101 C3 C119 C123 137.6(6) . . . . ?
C101 C91 C125 C11 -140.7(6) . . . . ?
C101 C91 C125 C69 1.1(8) . . . . ?
C101 C91 C134 C73 0.3(8) . . . . ?
C101 C91 C134 C144 141.8(5) . . . . ?
C103 C49 C117 C45 0.6(9) . . . . ?
C103 C49 C117 C123 -138.0(6) . . . . ?
C103 C49 C127 C5 0.0(7) . . . . ?
C103 C49 C127 C51 142.6(6) . . . . ?
C105 C2 C7 C83 138.6(7) . . . . ?
C105 C2 C7 C85 1.2(9) . . . . ?
C105 C2 C99 C13 1.6(7) . . . . ?
C105 C2 C99 C109 -140.2(6) . . . . ?
C105 C23 C59 C55 2.1(8) . . . . ?
C105 C23 C59 C129 143.5(5) . . . . ?
C105 C23 C113 C85 1.2(8) . . . . ?
C105 C23 C113 C131 -141.3(6) . . . . ?
C105 C31 C33 C55 0.1(9) . . . . ?
C105 C31 C33 C65 -137.8(6) . . . . ?
C109 C27 C47 C29 0.3(6) . . . . ?
C109 C27 C47 C121 -142.1(6) . . . . ?
C109 C27 C83 C7 2.4(8) . . . . ?
C109 C27 C83 C39 138.9(5) . . . . ?
C109 C89 C122 C43 -140.4(5) . . . . ?
C109 C89 C122 C111 0.1(7) . . . . ?
C111 C13 C31 C33 0.4(9) . . . . ?
C111 C13 C31 C105 142.8(6) . . . . ?
C111 C13 C99 C2 -144.4(6) . . . . ?
C111 C13 C99 C109 -1.2(8) . . . . ?
C113 C23 C59 C55 -141.5(6) . . . . ?
C113 C23 C59 C129 -0.1(6) . . . . ?
C113 C23 C105 C2 1.7(9) . . . . ?
C113 C23 C105 C31 138.5(6) . . . . ?
C117 C45 C69 C119 2.0(6) . . . . ?
C117 C45 C69 C125 144.4(6) . . . . ?
C117 C49 C103 C79 -0.7(9) . . . . ?
C117 C49 C103 C121 141.5(6) . . . . ?
C117 C49 C127 C5 -141.8(6) . . . . ?
C117 C49 C127 C51 0.8(9) . . . . ?
C119 C3 C67 C17 141.9(6) . . . . ?
C119 C3 C67 C142 -1.3(8) . . . . ?
C119 C3 C101 C91 1.2(8) . . . . ?
C119 C3 C101 C93 -142.0(6) . . . . ?
C119 C69 C125 C11 137.6(7) . . . . ?
C119 C69 C125 C91 1.0(8) . . . . ?
C120 C51 C57 C123 144.0(6) . . . . ?
C120 C51 C57 C142 -1.0(5) . . . . ?
C120 C51 C127 C5 1.0(10) . . . . ?
C120 C51 C127 C49 -138.5(7) . . . . ?
C120 C53 C85 C7 -141.3(5) . . . . ?
C120 C53 C85 C113 2.0(8) . . . . ?
C120 C87 C131 C113 1.3(9) . . . . ?
C120 C87 C131 C129 138.0(6) . . . . ?
C120 C87 C142 C57 -0.8(6) . . . . ?
C120 C87 C142 C67 -144.3(5) . . . . ?
C121 C5 C39 C53 139.4(5) . . . . ?
C121 C5 C39 C83 0.0(7) . . . . ?
C121 C5 C127 C49 -0.4(6) . . . . ?
C121 C5 C127 C51 -144.4(6) . . . . ?
C122 C89 C109 C27 142.4(5) . . . . ?
C122 C89 C109 C99 -0.2(7) . . . . ?
C123 C57 C142 C67 0.5(10) . . . . ?
C123 C57 C142 C87 -141.0(7) . . . . ?
C125 C11 C61 C19 -137.5(6) . . . . ?
C125 C11 C61 C21 0.4(8) . . . . ?
C125 C11 C144 C37 142.0(5) . . . . ?
C125 C11 C144 C134 0.8(6) . . . . ?
C125 C69 C119 C3 -2.1(10) . . . . ?
C125 C69 C119 C123 -143.9(6) . . . . ?
C125 C91 C101 C3 -2.2(8) . . . . ?
C125 C91 C101 C93 137.1(6) . . . . ?
C125 C91 C134 C73 -143.2(5) . . . . ?
C125 C91 C134 C144 -1.6(6) . . . . ?
C127 C5 C39 C53 2.2(7) . . . . ?
C127 C5 C39 C83 -137.2(6) . . . . ?
C127 C5 C121 C47 143.9(6) . . . . ?
C127 C5 C121 C103 0.7(6) . . . . ?
C127 C49 C103 C79 -141.7(6) . . . . ?
C127 C49 C103 C121 0.4(7) . . . . ?
C127 C49 C117 C45 137.5(6) . . . . ?
C127 C49 C117 C123 -1.1(8) . . . . ?
C127 C51 C57 C123 -1.0(9) . . . . ?
C127 C51 C57 C142 -146.0(6) . . . . ?
C127 C51 C120 C53 0.9(9) . . . . ?
C127 C51 C120 C87 143.0(7) . . . . ?
C129 C17 C67 C3 -142.7(7) . . . . ?
C129 C17 C67 C142 -3.0(10) . . . . ?
C129 C17 C93 C25 3.0(10) . . . . ?
C129 C17 C93 C101 146.0(7) . . . . ?
C131 C87 C120 C51 -142.4(5) . . . . ?
C131 C87 C120 C53 -0.5(8) . . . . ?
C131 C87 C142 C57 141.1(6) . . . . ?
C131 C87 C142 C67 -2.4(8) . . . . ?
C134 C91 C101 C3 -139.4(6) . . . . ?
C134 C91 C101 C93 0.0(8) . . . . ?
C134 C91 C125 C11 2.1(6) . . . . ?
C134 C91 C125 C69 143.9(6) . . . . ?
C142 C57 C123 C117 137.3(7) . . . . ?
C142 C57 C123 C119 -2.3(10) . . . . ?
C142 C87 C120 C51 0.1(6) . . . . ?
C142 C87 C120 C53 142.0(5) . . . . ?
C142 C87 C131 C113 -137.9(6) . . . . ?
C142 C87 C131 C129 -1.3(9) . . . . ?
C144 C11 C61 C19 1.3(8) . . . . ?
C144 C11 C61 C21 139.2(6) . . . . ?
C144 C11 C125 C69 -142.8(6) . . . . ?
C144 C11 C125 C91 -1.8(6) . . . . ?
C144 C37 C43 C19 0.3(7) . . . . ?
C144 C37 C43 C122 -142.6(5) . . . . ?
C144 C37 C81 C65 -1.3(9) . . . . ?
C144 C37 C81 C111 142.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
