# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_hel_a
_database_code_depnum_ccdc_archive 'CCDC 2183137'
loop_
_audit_author_name
_audit_author_address
'Brice Kauffmann'
;CNRS
France
;
_audit_update_record             
;
2022-06-30 deposited with the CCDC.	2022-12-09 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT340_hel_a               
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02275 Ang.
RESPONSE: Disorder due to high thermal motion remains (RIGU restraints have been applied to correct most of the disorder) 
;
# Added during the CSD deposition process: Thursday 30 June 2022 04:07 PM
# end Validation Reply Form

_audit_creation_date             2022-06-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 P, C43 H24 N'
_chemical_formula_sum            'C43 H24 F6 N P'
_chemical_formula_weight         699.60
_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 0.0192 0.0096 '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'
F F 0.0755 0.0553 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0330 0.0189 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2993 0.4410 '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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
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'

_cell_length_a                   23.8345(6)
_cell_length_b                   32.6008(8)
_cell_length_c                   16.2939(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12660.7(5)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    8187
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      68.0290
_cell_measurement_theta_min      3.5360
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.339
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.482
_oxdiff_exptl_absorpt_empirical_full_max 2.647
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             5728
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0628
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            63027
_diffrn_reflns_point_group_measured_fraction_full 0.810
_diffrn_reflns_point_group_measured_fraction_max 0.810
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.241
_diffrn_reflns_theta_min         3.285
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 13.3333
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'osmic varimax HF mirrors'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'rotating anode'
_reflns_Friedel_coverage         0.579
_reflns_Friedel_fraction_full    0.617
_reflns_Friedel_fraction_max     0.617
_reflns_number_gt                16004
_reflns_number_total             18799
_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.
;
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     60.00  85.00   1.00    2.00    --    5.00  28.00-180.00   25
  2  ω   -126.00 -69.00   1.00    2.00    --  -36.30  55.00  30.00   57
  3  ω    -11.00  15.00   1.00    2.00    --  -36.30  55.00 -90.00   26
  4  ω   -120.00  52.00   1.00    2.00    --  -36.30  55.00 120.00  172
  5  ω   -125.00  10.00   1.00    2.00    --  -36.30  55.00  60.00  135
  6  ω    -96.00 -22.00   1.00   20.00    -- -110.00  55.00 100.56   74
  7  ω   -195.00-122.00   1.00   20.00    -- -110.00  55.00 100.56   73
  8  ω   -107.00 -22.00   1.00   20.00    -- -110.00  55.00  69.42   85
  9  ω    -98.00 -22.00   1.00   20.00    -- -110.00  55.00 134.14   76
 10  ω   -171.00-145.00   1.00   20.00    -- -110.00  55.00 134.14   26
 11  ω   -199.00 -24.00   1.00   20.00    -- -110.00  55.00  39.91  175
 12  ω   -171.00-145.00   1.00   20.00    -- -110.00  55.00 119.02   26
 13  ω   -185.00-154.00   1.00   20.00    -- -110.00  55.00  69.42   31
 14  ω   -196.00 -21.00   1.00   20.00    -- -110.00  55.00 169.58  175
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.097
_refine_ls_abs_structure_details 
;
 Flack x determined using 4019 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.260(17)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1837
_refine_ls_number_reflns         18799
_refine_ls_number_restraints     124
_refine_ls_R_factor_all          0.1394
_refine_ls_R_factor_gt           0.1281
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0843P)²+88.4456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2984
_refine_ls_wR_factor_ref         0.3061
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 P004, F01D, F04U, F01S, F03P, F00R, F04T
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C046, C05F, C048
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C05O, C04A, C03W, C05B, C028, C057
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C05J, C044, C056, C04X
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C00S(H00S), C00T(H00T), C00W(H00W), C00Z(H00Z), C013(H013), C014(H014),
 C017(H017), C01E(H01E), C01J(H01J), C01L(H01L), C01M(H01M), C01R(H01R),
 C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C020(H020), C022(H022),
 C023(H023), C025(H025), C027(H027), C029(H029), C02A(H02A), C02C(H02C),
 C02F(H02F), C02G(H02G), C02H(H02H), C02I(H02I), C02J(H02J), C02O(H02O),
 C02S(H02S), C02V(H02V), C032(H032), C033(H033), C037(H037), C039(H039),
 C03A(H03A), C03C(H03C), C03D(H03D), C03H(H03H), C03I(H03I), C03J(H03J),
 C03K(H03K), C03M(H03M), C03N(H03N), C03O(H03O), C03Q(H03Q), C03S(H03S),
 C03T(H03T), C03U(H03U), C03W(H03W), C03Y(H03Y), C040(H040), C043(H043),
 C044(H044), C046(H046), C047(H047), C048(H048), C04A(H04A), C04B(H04B),
 C04C(H04C), C04D(H04D), C04E(H04E), C04F(H04F), C04G(H04G), C04I(H04I),
 C04J(H04J), C04O(H04O), C04P(H04P), C04Q(H04Q), C04S(H04S), C04V(H04V),
 C04W(H04W), C04Y(H04Y), C04Z(H04Z), C050(H050), C051(H051), C052(H052),
 C053(H053), C054(H054), C055(H055), C058(H058), C059(H059), C05A(H05A),
 C05B(H05B), C05C(H05C), C05E(H05E), C05F(H05F), C05G(H05G), C05H(H05H),
 C05I(H05I), C05J(H05J), C05K(H05K), C05L(H05L), C05N(H05N), C05O(H05O)
;
_atom_sites_solution_hydrogens   geom
_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
P001 P 0.28165(16) 0.20383(11) -0.1467(3) 0.0560(10) Uani 1 1 d . . . . .
P002 P 0.64891(17) 0.25854(13) 0.3557(3) 0.0639(11) Uani 1 1 d . . . . .
P003 P 0.6906(2) 0.52819(17) 0.6047(3) 0.0783(15) Uani 1 1 d . . . . .
P004 P 0.1717(2) 0.4739(2) 0.6488(3) 0.0895(18) Uani 1 1 d . . . . .
F005 F 0.2699(4) 0.1980(3) -0.2424(6) 0.070(3) Uani 1 1 d . . . . .
F006 F 0.2392(3) 0.2414(2) -0.1442(6) 0.064(2) Uani 1 1 d . . . . .
F007 F 0.2960(4) 0.2095(2) -0.0506(6) 0.069(3) Uani 1 1 d . . . . .
F008 F 0.3245(3) 0.1667(2) -0.1474(7) 0.065(2) Uani 1 1 d . . . . .
F009 F 0.6592(4) 0.5720(3) 0.6113(6) 0.074(3) Uani 1 1 d . . . . .
F00A F 0.3327(3) 0.2369(2) -0.1658(6) 0.061(2) Uani 1 1 d . . . . .
F00B F 0.2330(4) 0.1718(3) -0.1258(8) 0.085(3) Uani 1 1 d . . . . .
N00C N 0.6203(4) 0.3924(3) 0.4393(8) 0.047(3) Uani 1 1 d . . . . .
F00D F 0.6137(4) 0.3009(3) 0.3706(7) 0.083(3) Uani 1 1 d . . . . .
F00E F 0.6395(4) 0.5070(3) 0.6426(9) 0.096(4) Uani 1 1 d . . . . .
F00F F 0.6717(7) 0.5246(4) 0.5129(7) 0.121(5) Uani 1 1 d . . . . .
F00G F 0.7169(5) 0.5349(4) 0.6885(8) 0.097(4) Uani 1 1 d . . . . .
F00H F 0.6949(4) 0.2727(3) 0.4206(8) 0.092(3) Uani 1 1 d . . . . .
C00I C 0.3279(5) 0.0873(4) -0.0605(9) 0.042(3) Uani 1 1 d . . . . .
N00J N 0.3383(5) 0.3493(4) 0.0279(7) 0.053(3) Uani 1 1 d . . . . .
F00K F 0.6141(4) 0.2360(4) 0.4245(7) 0.098(4) Uani 1 1 d . . . . .
F00L F 0.6866(5) 0.2203(3) 0.3416(10) 0.114(4) Uani 1 1 d . . . . .
F00M F 0.6051(7) 0.2450(4) 0.2890(10) 0.141(7) Uani 1 1 d . . . . .
C00N C 0.4652(4) 0.1345(3) 0.0671(9) 0.037(3) Uani 1 1 d . . . . .
F00O F 0.7194(6) 0.4839(4) 0.6002(8) 0.133(6) Uani 1 1 d . . . . .
C00P C 0.5161(5) 0.3808(4) 0.4288(11) 0.049(4) Uani 1 1 d . . . . .
C00Q C 0.5774(7) 0.3342(4) 0.6205(9) 0.052(4) Uani 1 1 d . . . . .
F00R F 0.1985(4) 0.4533(4) 0.7275(9) 0.108(4) Uani 1 1 d . . . . .
C00S C 0.4425(5) 0.2377(4) -0.0255(9) 0.044(3) Uani 1 1 d . . . . .
H00S H 0.406383 0.247620 -0.017202 0.053 Uiso 1 1 calc R U . . .
C00T C 0.4806(6) 0.2923(4) 0.4410(10) 0.049(3) Uani 1 1 d . . . . .
H00T H 0.514261 0.304370 0.425150 0.059 Uiso 1 1 calc R U . . .
C00U C 0.4260(6) 0.1092(4) -0.0671(10) 0.049(3) Uani 1 1 d . . . . .
C00V C 0.5252(7) 0.3244(4) 0.6649(10) 0.055(4) Uani 1 1 d . . . . .
C00W C 0.5405(5) 0.2470(4) -0.0121(9) 0.045(3) Uani 1 1 d . . . . .
H00W H 0.570716 0.262809 0.005337 0.054 Uiso 1 1 calc R U . . .
N00X N 0.2824(6) 0.0642(4) -0.0950(12) 0.083(5) Uani 1 1 d . . . . .
C00Y C 0.4720(7) 0.3416(4) 0.6371(10) 0.052(4) Uani 1 1 d . . . . .
C00Z C 0.4503(5) 0.2007(3) -0.0679(9) 0.044(3) Uani 1 1 d . . . . .
H00Z H 0.419858 0.186653 -0.089859 0.053 Uiso 1 1 calc R U . . .
F010 F 0.7464(5) 0.5534(5) 0.5684(9) 0.131(6) Uani 1 1 d . . . . .
F011 F 0.6797(6) 0.2818(4) 0.2848(9) 0.126(5) Uani 1 1 d . . . . .
C012 C 0.3776(7) 0.0850(4) -0.0976(11) 0.063(5) Uani 1 1 d . . . . .
C013 C 0.5889(6) 0.3667(4) -0.1124(9) 0.051(3) Uani 1 1 d . . . . .
H013 H 0.621263 0.352058 -0.099940 0.061 Uiso 1 1 calc R U . . .
C014 C 0.6755(5) 0.3574(4) 0.5420(10) 0.051(4) Uani 1 1 d . . . . .
H014 H 0.708889 0.365011 0.516695 0.061 Uiso 1 1 calc R U . . .
C015 C 0.4199(5) 0.1234(4) 0.0084(9) 0.040(3) Uani 1 1 d . . . . .
C016 C 0.4285(8) 0.3348(4) 0.6879(10) 0.060(4) Uani 1 1 d . . . . .
C017 C 0.4356(6) 0.3119(4) 0.1835(9) 0.052(4) Uani 1 1 d . . . . .
H017 H 0.435798 0.293077 0.226373 0.062 Uiso 1 1 calc R U . . .
C018 C 0.5517(6) 0.2099(4) -0.0555(10) 0.051(4) Uani 1 1 d . . . . .
C019 C 0.3673(5) 0.1310(4) 0.0434(10) 0.048(4) Uani 1 1 d . . . . .
C01A C 0.3168(5) 0.1133(4) 0.0006(10) 0.052(4) Uani 1 1 d . . . . .
C01B C 0.4288(5) 0.3127(4) 0.4204(9) 0.044(3) Uani 1 1 d . . . . .
C01C C 0.5789(6) 0.3836(4) 0.1439(11) 0.053(4) Uani 1 1 d . . . . .
F01D F 0.1302(5) 0.4355(4) 0.6408(8) 0.115(4) Uani 1 1 d . . . . .
C01E C 0.3760(7) 0.3571(5) 0.6638(12) 0.066(5) Uani 1 1 d . . . . .
H01E H 0.344204 0.352749 0.695659 0.080 Uiso 1 1 calc R U . . .
C01F C 0.5291(6) 0.3005(4) 0.7349(10) 0.052(4) Uani 1 1 d . . . . .
C01G C 0.5069(5) 0.1847(4) -0.0767(10) 0.045(3) Uani 1 1 d . . . . .
C01H C 0.6234(5) 0.3697(4) 0.5075(9) 0.046(3) Uani 1 1 d . . . . .
C01I C 0.5307(6) 0.3936(4) 0.1030(8) 0.041(3) Uani 1 1 d . . . . .
C01J C 0.5559(6) 0.1565(5) 0.1721(10) 0.055(4) Uani 1 1 d . . . . .
H01J H 0.586112 0.165333 0.203547 0.066 Uiso 1 1 calc R U . . .
N01K N 0.6279(5) 0.1546(4) 0.5606(8) 0.053(3) Uani 1 1 d . . . . .
C01L C 0.3883(6) 0.3172(4) 0.1398(9) 0.049(3) Uani 1 1 d . . . . .
H01L H 0.355815 0.303152 0.154342 0.059 Uiso 1 1 calc R U . . .
C01M C 0.5651(6) 0.1857(4) 0.6577(10) 0.052(4) Uani 1 1 d . . . . .
H01M H 0.593813 0.202207 0.677822 0.063 Uiso 1 1 calc R U . . .
C01N C 0.4406(6) 0.0990(4) 0.5942(9) 0.048(3) Uani 1 1 d . . . . .
C01O C 0.3756(6) 0.3613(4) 0.3417(10) 0.049(3) Uani 1 1 d . . . . .
C01P C 0.6284(7) 0.3201(4) 0.6519(10) 0.055(4) Uani 1 1 d . . . . .
C01Q C 0.4836(5) 0.3644(3) 0.1039(10) 0.045(3) Uani 1 1 d . . . . .
C01R C 0.5197(5) 0.1180(4) 0.0576(10) 0.047(4) Uani 1 1 d . . . . .
H01R H 0.526055 0.099169 0.015833 0.056 Uiso 1 1 calc R U . . .
F01S F 0.2087(6) 0.4548(4) 0.5841(11) 0.140(5) Uani 1 1 d . . . . .
C01T C 0.6771(6) 0.3345(5) 0.6118(11) 0.060(4) Uani 1 1 d . . . . .
H01T H 0.711844 0.328007 0.634171 0.072 Uiso 1 1 calc R U . . .
C01U C 0.4152(5) 0.1661(4) 0.7017(10) 0.051(4) Uani 1 1 d . . . . .
H01U H 0.408297 0.186373 0.740579 0.061 Uiso 1 1 calc R U . . .
C01V C 0.4885(6) 0.2601(4) 0.0047(10) 0.057(4) Uani 1 1 d . . . . .
H01V H 0.482888 0.283656 0.035862 0.069 Uiso 1 1 calc R U . . .
C01W C 0.5820(6) 0.3490(4) 0.1959(9) 0.047(3) Uani 1 1 d . . . . .
H01W H 0.616005 0.341896 0.219982 0.056 Uiso 1 1 calc R U . . .
C01X C 0.4562(7) 0.1602(4) 0.1361(11) 0.058(4) Uani 1 1 d . . . . .
C01Y C 0.4710(6) 0.3660(4) 0.5645(10) 0.051(3) Uani 1 1 d . . . . .
C01Z C 0.4359(5) 0.3626(4) 0.0454(8) 0.041(3) Uani 1 1 d . . . . .
C020 C 0.5393(8) 0.4411(5) -0.2702(11) 0.070(5) Uani 1 1 d . . . . .
H020 H 0.572323 0.446923 -0.298163 0.084 Uiso 1 1 calc R U . . .
C021 C 0.5743(5) 0.3565(4) 0.5487(10) 0.048(3) Uani 1 1 d . . . . .
C022 C 0.4824(7) 0.2564(4) 0.4824(9) 0.054(4) Uani 1 1 d . . . . .
H022 H 0.516385 0.243530 0.493712 0.064 Uiso 1 1 calc R U . . .
C023 C 0.4164(6) 0.4179(4) 0.2718(10) 0.057(4) Uani 1 1 d . . . . .
H023 H 0.413969 0.438744 0.233106 0.069 Uiso 1 1 calc R U . . .
C024 C 0.4378(7) 0.4510(4) -0.2507(11) 0.058(4) Uani 1 1 d . . . . .
C025 C 0.4217(5) 0.3876(4) 0.5475(11) 0.054(4) Uani 1 1 d . . . . .
H025 H 0.420780 0.405121 0.502557 0.065 Uiso 1 1 calc R U . . .
C026 C 0.5147(6) 0.1452(5) -0.1157(10) 0.053(4) Uani 1 1 d . . . . .
C027 C 0.5800(9) 0.2847(5) 0.7646(12) 0.073(5) Uani 1 1 d . . . . .
H027 H 0.580909 0.267454 0.809921 0.087 Uiso 1 1 calc R U . . .
C028 C 0.4029(9) 0.0345(4) 0.5318(10) 0.068(4) Uani 1 1 d . . . . .
C029 C 0.5804(6) 0.1035(4) -0.1988(11) 0.060(4) Uani 1 1 d . . . . .
H029 H 0.616054 0.098604 -0.219711 0.072 Uiso 1 1 calc R U . . .
C02A C 0.5649(6) 0.1291(5) 0.1095(11) 0.058(4) Uani 1 1 d . . . . .
H02A H 0.600347 0.117982 0.101117 0.070 Uiso 1 1 calc R U . . .
C02B C 0.4701(5) 0.1618(4) 0.6653(10) 0.047(3) Uani 1 1 d . . . . .
C02C C 0.6269(7) 0.2953(4) 0.7257(10) 0.060(5) Uani 1 1 d . . . . .
H02C H 0.660843 0.286272 0.747168 0.072 Uiso 1 1 calc R U . . .
C02D C 0.4010(6) 0.1726(4) 0.1568(9) 0.051(4) Uani 1 1 d . . . . .
C02E C 0.4394(7) 0.4239(4) -0.1832(10) 0.054(4) Uani 1 1 d . . . . .
C02F C 0.4756(6) 0.2931(4) 0.7806(11) 0.059(4) Uani 1 1 d . . . . .
H02F H 0.476069 0.276494 0.826957 0.071 Uiso 1 1 calc R U . . .
C02G C 0.5125(6) 0.1883(4) 0.6898(11) 0.054(4) Uani 1 1 d . . . . .
H02G H 0.504742 0.208234 0.728967 0.065 Uiso 1 1 calc R U . . .
C02H C 0.3340(6) 0.2102(5) 0.2447(11) 0.066(5) Uani 1 1 d . . . . .
H02H H 0.327357 0.227864 0.288526 0.079 Uiso 1 1 calc R U . . .
C02I C 0.2719(8) 0.2942(5) 0.0257(12) 0.072(5) Uani 1 1 d . . . . .
H02I H 0.291370 0.283145 -0.018534 0.086 Uiso 1 1 calc R U . . .
C02J C 0.5180(7) 0.4340(4) 0.2923(10) 0.056(4) Uani 1 1 d . . . . .
H02J H 0.514912 0.454995 0.253861 0.067 Uiso 1 1 calc R U . . .
C02K C 0.3795(5) 0.2906(4) 0.4398(10) 0.049(4) Uani 1 1 d . . . . .
C02L C 0.4916(7) 0.3815(4) -0.0843(10) 0.054(4) Uani 1 1 d . . . . .
C02M C 0.3372(8) 0.4275(5) -0.1784(10) 0.061(4) Uani 1 1 d . . . . .
C02N C 0.5401(7) 0.4131(4) -0.2003(10) 0.056(4) Uani 1 1 d . . . . .
C02O C 0.3799(6) 0.2537(4) 0.4847(9) 0.054(4) Uani 1 1 d . . . . .
H02O H 0.346623 0.240219 0.497345 0.065 Uiso 1 1 calc R U . . .
C02P C 0.3866(5) 0.3872(4) -0.0722(10) 0.045(3) Uani 1 1 d . . . . .
C02Q C 0.4832(8) 0.0825(4) -0.1831(11) 0.066(5) Uani 1 1 d . . . . .
C02R C 0.4943(8) 0.1120(4) 0.4145(10) 0.059(4) Uani 1 1 d . . . . .
C02S C 0.6977(9) 0.2103(5) 0.5741(12) 0.077(6) Uani 1 1 d . . . . .
H02S H 0.683154 0.222011 0.526622 0.092 Uiso 1 1 calc R U . . .
C02T C 0.4856(6) 0.3344(4) 0.1656(10) 0.048(3) Uani 1 1 d . . . . .
C02U C 0.4702(7) 0.4105(4) 0.3116(11) 0.059(4) Uani 1 1 d . . . . .
C02V C 0.5420(7) 0.3613(5) -0.0642(9) 0.056(4) Uani 1 1 d . . . . .
H02V H 0.543566 0.344251 -0.018460 0.067 Uiso 1 1 calc R U . . .
C02W C 0.4809(6) 0.1315(4) 0.6078(11) 0.055(4) Uani 1 1 d . . . . .
C02X C 0.5707(6) 0.3987(4) 0.3989(9) 0.046(3) Uani 1 1 d . . . . .
C02Y C 0.3880(10) 0.1981(5) 0.2244(11) 0.078(6) Uani 1 1 d . . . . .
C02Z C 0.3874(6) 0.4129(4) -0.1452(10) 0.051(3) Uani 1 1 d . . . . .
C030 C 0.5205(5) 0.3678(4) 0.5116(9) 0.045(3) Uani 1 1 d . . . . .
C031 C 0.3866(7) 0.1055(5) 0.6250(10) 0.064(4) Uani 1 1 d . . . . .
C032 C 0.2585(6) 0.3484(6) 0.1229(10) 0.069(5) Uani 1 1 d . . . . .
H032 H 0.269623 0.373646 0.143934 0.083 Uiso 1 1 calc R U . . .
C033 C 0.4372(7) 0.0543(4) -0.2002(11) 0.064(4) Uani 1 1 d . . . . .
H033 H 0.443219 0.033259 -0.237808 0.077 Uiso 1 1 calc R U . . .
C034 C 0.4399(6) 0.3791(4) -0.0387(10) 0.050(4) Uani 1 1 d . . . . .
C035 C 0.3567(7) 0.1562(4) 0.1073(12) 0.061(5) Uani 1 1 d . . . . .
C036 C 0.4766(6) 0.1130(4) -0.1199(10) 0.052(4) Uani 1 1 d . . . . .
C037 C 0.5687(8) 0.4268(4) 0.3287(11) 0.068(5) Uani 1 1 d . . . . .
H037 H 0.601101 0.439470 0.309407 0.082 Uiso 1 1 calc R U . . .
C038 C 0.5260(5) 0.4348(4) 0.0614(9) 0.048(3) Uani 1 1 d . . . . .
C039 C 0.3873(6) 0.0571(4) -0.1649(10) 0.054(4) Uani 1 1 d . . . . .
H039 H 0.357957 0.040731 -0.183728 0.065 Uiso 1 1 calc R U . . .
C03A C 0.6313(8) 0.4076(5) 0.1317(10) 0.068(5) Uani 1 1 d . . . . .
H03A H 0.664983 0.400468 0.156805 0.082 Uiso 1 1 calc R U . . .
C03B C 0.6731(6) 0.4075(4) 0.4023(10) 0.059(4) Uani 1 1 d . . . . .
C03C C 0.4911(8) 0.4583(5) -0.2940(11) 0.068(5) Uani 1 1 d . . . . .
H03C H 0.491216 0.475458 -0.339516 0.082 Uiso 1 1 calc R U . . .
C03D C 0.5362(6) 0.0772(5) -0.2191(12) 0.062(4) Uani 1 1 d . . . . .
H03D H 0.541950 0.056090 -0.256582 0.075 Uiso 1 1 calc R U . . .
C03E C 0.3001(6) 0.1696(5) 0.1326(9) 0.050(3) Uani 1 1 d . . . . .
C03F C 0.5756(7) 0.1573(5) 0.5925(11) 0.059(4) Uani 1 1 d . . . . .
C03G C 0.3381(7) 0.3752(5) -0.0388(10) 0.054(4) Uani 1 1 d . . . . .
C03H C 0.3703(7) 0.3960(4) 0.2884(12) 0.066(5) Uani 1 1 d . . . . .
H03H H 0.335726 0.403066 0.265991 0.080 Uiso 1 1 calc R U . . .
C03I C 0.6053(6) 0.1975(5) -0.0789(10) 0.058(4) Uani 1 1 d . . . . .
H03I H 0.635661 0.213237 -0.061736 0.070 Uiso 1 1 calc R U . . .
C03J C 0.4294(8) 0.2385(4) 0.5086(11) 0.067(5) Uani 1 1 d . . . . .
H03J H 0.429988 0.215769 0.543120 0.081 Uiso 1 1 calc R U . . .
C03K C 0.4370(7) 0.2109(6) 0.2726(11) 0.068(5) Uani 1 1 d . . . . .
H03K H 0.431510 0.229147 0.315658 0.082 Uiso 1 1 calc R U . . .
C03L C 0.4712(6) 0.3803(4) 0.3736(9) 0.049(3) Uani 1 1 d . . . . .
C03M C 0.6155(6) 0.1640(5) -0.1250(11) 0.064(5) Uani 1 1 d . . . . .
H03M H 0.651887 0.158424 -0.142426 0.077 Uiso 1 1 calc R U . . .
C03N C 0.7038(5) 0.3855(4) 0.3452(10) 0.051(4) Uani 1 1 d . . . . .
H03N H 0.693501 0.358941 0.331064 0.061 Uiso 1 1 calc R U . . .
C03O C 0.2557(7) 0.1502(5) 0.0916(12) 0.071(5) Uani 1 1 d . . . . .
H03O H 0.219309 0.156494 0.107953 0.085 Uiso 1 1 calc R U . . .
F03P F 0.2210(7) 0.5067(5) 0.6571(10) 0.168(7) Uani 1 1 d . . . . .
C03Q C 0.4884(8) 0.1978(5) 0.2581(10) 0.069(5) Uani 1 1 d . . . . .
H03Q H 0.517034 0.205974 0.293267 0.083 Uiso 1 1 calc R U . . .
C03R C 0.2878(5) 0.3307(5) 0.0612(10) 0.057(4) Uani 1 1 d . . . . .
C03S C 0.4300(7) 0.3089(5) 0.7579(11) 0.062(4) Uani 1 1 d . . . . .
H03S H 0.397223 0.303507 0.786933 0.075 Uiso 1 1 calc R U . . .
C03T C 0.6869(7) 0.4465(5) 0.4281(13) 0.072(5) Uani 1 1 d . . . . .
H03T H 0.667015 0.460059 0.468979 0.087 Uiso 1 1 calc R U . . .
C03U C 0.2842(7) 0.3874(5) -0.0746(10) 0.061(4) Uani 1 1 d . . . . .
H03U H 0.250253 0.378566 -0.052747 0.074 Uiso 1 1 calc R U . . .
C03V C 0.5393(8) 0.1203(4) 0.4705(11) 0.067(5) Uani 1 1 d . . . . .
C03W C 0.5030(8) 0.0439(5) 0.5430(11) 0.069(4) Uani 1 1 d . . . . .
H03W H 0.532824 0.059610 0.562194 0.083 Uiso 1 1 calc R U . . .
C03X C 0.3879(5) 0.3431(4) 0.0746(9) 0.045(3) Uani 1 1 d . . . . .
C03Y C 0.2623(7) 0.1224(5) 0.0288(11) 0.063(4) Uani 1 1 d . . . . .
H03Y H 0.231222 0.109755 0.005258 0.075 Uiso 1 1 calc R U . . .
C03Z C 0.5019(7) 0.1713(4) 0.1896(10) 0.054(4) Uani 1 1 d . . . . .
C040 C 0.3995(8) 0.1189(5) 0.3686(12) 0.075(5) Uani 1 1 d . . . . .
H040 H 0.363604 0.129603 0.375196 0.089 Uiso 1 1 calc R U . . .
C041 C 0.5310(7) 0.1348(4) 0.5565(10) 0.056(4) Uani 1 1 d . . . . .
C042 C 0.5765(7) 0.4555(5) 0.0481(12) 0.067(5) Uani 1 1 d . . . . .
C043 C 0.3388(8) 0.4561(5) -0.2435(12) 0.073(5) Uani 1 1 d . . . . .
H043 H 0.305763 0.468623 -0.260634 0.088 Uiso 1 1 calc R U . . .
C044 C 0.6953(7) 0.1219(5) 0.4685(12) 0.065(4) Uani 1 1 d . . . . .
H044 H 0.724995 0.133315 0.497755 0.078 Uiso 1 1 calc R U . . .
C045 C 0.5071(10) 0.0893(5) 0.3420(12) 0.080(6) Uani 1 1 d . . . . .
C046 C 0.1973(8) 0.0155(5) -0.1540(16) 0.084(6) Uani 1 1 d . . . . .
H046 H 0.168436 -0.000891 -0.174117 0.101 Uiso 1 1 calc R U . . .
C047 C 0.6266(6) 0.4422(5) 0.0793(11) 0.063(5) Uani 1 1 d . . . . .
H047 H 0.659027 0.456428 0.065385 0.076 Uiso 1 1 calc R U . . .
C048 C 0.2572(6) 0.0749(4) -0.1688(10) 0.058(4) Uani 1 1 d . . . . .
H048 H 0.268695 0.097811 -0.198308 0.070 Uiso 1 1 calc R U . . .
C049 C 0.4267(5) 0.3515(4) 0.3821(11) 0.057(4) Uani 1 1 d . . . . .
C04A C 0.4688(15) -0.0129(6) 0.4674(14) 0.118(8) Uani 1 1 d . . . . .
H04A H 0.474701 -0.033963 0.429866 0.141 Uiso 1 1 calc R U . . .
C04B C 0.3742(7) 0.1401(5) 0.6782(11) 0.063(4) Uani 1 1 d . . . . .
H04B H 0.337618 0.144301 0.696220 0.076 Uiso 1 1 calc R U . . .
C04C C 0.2897(7) 0.1950(6) 0.1969(11) 0.068(5) Uani 1 1 d . . . . .
H04C H 0.252966 0.202252 0.209381 0.082 Uiso 1 1 calc R U . . .
C04D C 0.7412(6) 0.2304(6) 0.6149(11) 0.068(5) Uani 1 1 d . . . . .
H04D H 0.756319 0.254982 0.596389 0.082 Uiso 1 1 calc R U . . .
C04E C 0.7495(7) 0.4037(6) 0.3099(12) 0.072(5) Uani 1 1 d . . . . .
H04E H 0.771067 0.389820 0.271351 0.087 Uiso 1 1 calc R U . . .
C04F C 0.4742(10) 0.4905(4) -0.0002(11) 0.077(6) Uani 1 1 d . . . . .
H04F H 0.440364 0.503258 -0.012622 0.092 Uiso 1 1 calc R U . . .
C04G C 0.3713(7) 0.3832(5) 0.5989(11) 0.060(4) Uani 1 1 d . . . . .
H04G H 0.338346 0.397414 0.587740 0.072 Uiso 1 1 calc R U . . .
C04H C 0.4622(10) 0.0796(5) 0.2881(11) 0.070(5) Uani 1 1 d . . . . .
C04I C 0.5240(8) 0.5076(5) -0.0239(11) 0.066(5) Uani 1 1 d . . . . .
H04I H 0.523051 0.530011 -0.059118 0.080 Uiso 1 1 calc R U . . .
C04J C 0.5360(6) 0.3261(4) 0.2107(10) 0.054(4) Uani 1 1 d . . . . .
H04J H 0.536933 0.305301 0.249627 0.065 Uiso 1 1 calc R U . . .
C04K C 0.5970(7) 0.1149(5) 0.4474(9) 0.053(4) Uani 1 1 d . . . . .
C04L C 0.6078(9) 0.0900(5) 0.3734(12) 0.074(5) Uani 1 1 d . . . . .
C04M C 0.4909(7) 0.4070(4) -0.1570(9) 0.058(4) Uani 1 1 d . . . . .
C04N C 0.5640(10) 0.0771(5) 0.3267(11) 0.076(5) Uani 1 1 d . . . . .
C04O C 0.2243(6) 0.2741(5) 0.0598(13) 0.070(5) Uani 1 1 d . . . . .
H04O H 0.212628 0.248873 0.039200 0.084 Uiso 1 1 calc R U . . .
C04P C 0.3260(6) 0.3049(5) 0.4063(11) 0.061(4) Uani 1 1 d . . . . .
H04P H 0.292494 0.291727 0.418892 0.073 Uiso 1 1 calc R U . . .
C04Q C 0.4750(7) 0.4533(3) 0.0431(9) 0.049(3) Uani 1 1 d . . . . .
H04Q H 0.441565 0.441044 0.059426 0.059 Uiso 1 1 calc R U . . .
C04R C 0.5712(5) 0.1370(4) -0.1473(11) 0.055(4) Uani 1 1 d . . . . .
C04S C 0.3274(6) 0.3375(4) 0.3570(12) 0.066(5) Uani 1 1 d . . . . .
H04S H 0.294297 0.345114 0.330953 0.079 Uiso 1 1 calc R U . . .
F04T F 0.1273(8) 0.4943(5) 0.7117(14) 0.178(7) Uani 1 1 d . . . . .
F04U F 0.1410(5) 0.4996(6) 0.5780(13) 0.185(8) Uani 1 1 d . . . . .
C04V C 0.3417(8) 0.0789(7) 0.6051(12) 0.084(6) Uani 1 1 d . . . . .
H04V H 0.306205 0.083876 0.626612 0.100 Uiso 1 1 calc R U . . .
C04W C 0.2656(6) 0.0294(4) -0.0486(12) 0.063(5) Uani 1 1 d . . . . .
H04W H 0.282084 0.022882 0.001473 0.076 Uiso 1 1 calc R U . . .
C04X C 0.6399(6) 0.1298(5) 0.4933(12) 0.063(4) Uani 1 1 d . . . . .
C04Y C 0.4743(10) 0.0520(5) 0.2171(12) 0.081(6) Uani 1 1 d . . . . .
H04Y H 0.445912 0.042066 0.183476 0.098 Uiso 1 1 calc R U . . .
C04Z C 0.5730(9) 0.4941(5) 0.0004(12) 0.074(5) Uani 1 1 d . . . . .
H04Z H 0.605426 0.508645 -0.012296 0.089 Uiso 1 1 calc R U . . .
C050 C 0.2865(8) 0.4126(5) -0.1426(13) 0.077(5) Uani 1 1 d . . . . .
H050 H 0.252801 0.420467 -0.166629 0.092 Uiso 1 1 calc R U . . .
C051 C 0.3855(9) 0.4652(6) -0.2796(12) 0.077(6) Uani 1 1 d . . . . .
H051 H 0.384613 0.481592 -0.326229 0.093 Uiso 1 1 calc R U . . .
C052 C 0.6746(14) 0.0570(7) 0.2835(14) 0.109(9) Uani 1 1 d . . . . .
H052 H 0.711011 0.048621 0.271774 0.131 Uiso 1 1 calc R U . . .
C053 C 0.7609(6) 0.2100(6) 0.6882(11) 0.071(5) Uani 1 1 d . . . . .
H053 H 0.791022 0.221088 0.716831 0.086 Uiso 1 1 calc R U . . .
C054 C 0.5310(11) 0.0419(5) 0.2040(13) 0.085(6) Uani 1 1 d . . . . .
H054 H 0.539761 0.025729 0.158851 0.102 Uiso 1 1 calc R U . . .
C055 C 0.4410(8) 0.1293(4) 0.4243(11) 0.065(5) Uani 1 1 d . . . . .
H055 H 0.433695 0.147345 0.467178 0.078 Uiso 1 1 calc R U . . .
C056 C 0.6625(9) 0.0839(5) 0.3540(13) 0.080(5) Uani 1 1 d . . . . .
C057 C 0.4486(7) 0.0594(5) 0.5565(11) 0.062(4) Uani 1 1 d . . . . .
C058 C 0.7627(8) 0.4437(5) 0.3335(14) 0.093(7) Uani 1 1 d . . . . .
H058 H 0.793597 0.456327 0.309350 0.111 Uiso 1 1 calc R U . . .
C059 C 0.2228(7) 0.0055(5) -0.0828(15) 0.082(6) Uani 1 1 d . . . . .
H059 H 0.211482 -0.018064 -0.055338 0.099 Uiso 1 1 calc R U . . .
C05A C 0.3499(8) 0.0460(6) 0.5546(13) 0.080(5) Uani 1 1 d . . . . .
H05A H 0.319180 0.031170 0.535584 0.096 Uiso 1 1 calc R U . . .
C05B C 0.4137(14) -0.0022(6) 0.4854(15) 0.120(8) Uani 1 1 d . . . . .
H05B H 0.384132 -0.018532 0.467708 0.144 Uiso 1 1 calc R U . . .
C05C C 0.6946(8) 0.1584(8) 0.6705(12) 0.097(8) Uani 1 1 d . . . . .
H05C H 0.678064 0.134446 0.689634 0.116 Uiso 1 1 calc R U . . .
C05D C 0.6749(7) 0.1729(5) 0.6018(11) 0.065(4) Uani 1 1 d . . . . .
C05E C 0.7337(6) 0.4644(5) 0.3880(13) 0.073(6) Uani 1 1 d . . . . .
H05E H 0.743934 0.491185 0.400592 0.088 Uiso 1 1 calc R U . . .
C05F C 0.2139(6) 0.0496(5) -0.1968(12) 0.067(4) Uani 1 1 d . . . . .
H05F H 0.195861 0.056053 -0.245685 0.080 Uiso 1 1 calc R U . . .
C05G C 0.2126(7) 0.3290(8) 0.1538(13) 0.095(8) Uani 1 1 d . . . . .
H05G H 0.192875 0.341540 0.196192 0.114 Uiso 1 1 calc R U . . .
C05H C 0.5893(7) 0.3926(5) -0.1774(10) 0.062(4) Uani 1 1 d . . . . .
H05H H 0.622210 0.396829 -0.206751 0.074 Uiso 1 1 calc R U . . .
C05I C 0.1946(7) 0.2931(8) 0.1265(14) 0.090(7) Uani 1 1 d . . . . .
H05I H 0.163449 0.280461 0.149796 0.108 Uiso 1 1 calc R U . . .
C05J C 0.7063(10) 0.0975(5) 0.4012(13) 0.085(5) Uani 1 1 d . . . . .
H05J H 0.743004 0.090296 0.388051 0.103 Uiso 1 1 calc R U . . .
C05K C 0.7360(8) 0.1741(7) 0.7172(13) 0.094(7) Uani 1 1 d . . . . .
H05K H 0.747251 0.161694 0.765836 0.113 Uiso 1 1 calc R U . . .
C05L C 0.4106(11) 0.0928(6) 0.3028(13) 0.086(7) Uani 1 1 d . . . . .
H05L H 0.381419 0.084442 0.268786 0.103 Uiso 1 1 calc R U . . .
C05M C 0.5736(12) 0.0544(6) 0.2532(13) 0.089(7) Uani 1 1 d . . . . .
C05N C 0.6316(14) 0.0451(6) 0.2373(15) 0.106(10) Uani 1 1 d . . . . .
H05N H 0.639695 0.029509 0.191036 0.127 Uiso 1 1 calc R U . . .
C05O C 0.5166(13) 0.0063(6) 0.5028(14) 0.114(8) Uani 1 1 d . . . . .
H05O H 0.552713 -0.004434 0.500040 0.137 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
P001 F005 1.595(10) . ?
P001 F006 1.590(8) . ?
P001 F007 1.614(11) . ?
P001 F008 1.585(8) . ?
P001 F00A 1.655(9) . ?
P001 F00B 1.597(10) . ?
P002 F00D 1.633(9) . ?
P002 F00H 1.592(12) . ?
P002 F00K 1.577(11) . ?
P002 F00L 1.554(10) . ?
P002 F00M 1.571(12) . ?
P002 F011 1.564(12) . ?
P003 F009 1.616(9) . ?
P003 F00E 1.530(12) . ?
P003 F00F 1.566(11) . ?
P003 F00G 1.518(12) . ?
P003 F00O 1.601(11) . ?
P003 F010 1.672(16) . ?
P004 F00R 1.583(14) . ?
P004 F01D 1.599(11) . ?
P004 F01S 1.509(14) . ?
P004 F03P 1.597(10) . ?
P004 F04T 1.616(17) . ?
P004 F04U 1.603(17) . ?
N00C C01H 1.337(18) . ?
N00C C02X 1.368(17) . ?
N00C C03B 1.479(17) . ?
C00I N00X 1.436(18) . ?
C00I C012 1.33(2) . ?
C00I C01A 1.33(2) . ?
N00J C03G 1.375(19) . ?
N00J C03R 1.453(19) . ?
N00J C03X 1.421(17) . ?
C00N C015 1.487(17) . ?
C00N C01R 1.414(16) . ?
C00N C01X 1.42(2) . ?
C00P C02X 1.507(19) . ?
C00P C030 1.42(2) . ?
C00P C03L 1.40(2) . ?
C00Q C00V 1.47(2) . ?
C00Q C01P 1.40(2) . ?
C00Q C021 1.38(2) . ?
C00S H00S 0.9300 . ?
C00S C00Z 1.403(16) . ?
C00S C01V 1.405(19) . ?
C00T H00T 0.9300 . ?
C00T C01B 1.442(18) . ?
C00T C022 1.352(19) . ?
C00U C012 1.483(19) . ?
C00U C015 1.32(2) . ?
C00U C036 1.49(2) . ?
C00V C00Y 1.46(2) . ?
C00V C01F 1.38(2) . ?
C00W H00W 0.9300 . ?
C00W C018 1.426(18) . ?
C00W C01V 1.340(18) . ?
N00X C048 1.39(2) . ?
N00X C04W 1.42(2) . ?
C00Y C016 1.35(2) . ?
C00Y C01Y 1.43(2) . ?
C00Z H00Z 0.9300 . ?
C00Z C01G 1.454(16) . ?
C012 C039 1.44(2) . ?
C013 H013 0.9300 . ?
C013 C02V 1.38(2) . ?
C013 C05H 1.36(2) . ?
C014 H014 0.9300 . ?
C014 C01H 1.422(18) . ?
C014 C01T 1.36(2) . ?
C015 C019 1.400(18) . ?
C016 C01E 1.50(2) . ?
C016 C03S 1.42(2) . ?
C017 H017 0.9300 . ?
C017 C01L 1.34(2) . ?
C017 C02T 1.430(18) . ?
C018 C01G 1.390(18) . ?
C018 C03I 1.393(19) . ?
C019 C01A 1.505(17) . ?
C019 C035 1.35(2) . ?
C01A C03Y 1.41(2) . ?
C01B C02K 1.414(18) . ?
C01B C049 1.411(19) . ?
C01C C01I 1.366(19) . ?
C01C C01W 1.41(2) . ?
C01C C03A 1.49(2) . ?
C01E H01E 0.9300 . ?
C01E C04G 1.36(2) . ?
C01F C027 1.40(2) . ?
C01F C02F 1.50(2) . ?
C01G C026 1.448(19) . ?
C01H C021 1.417(19) . ?
C01I C01Q 1.472(16) . ?
C01I C038 1.509(18) . ?
C01J H01J 0.9300 . ?
C01J C02A 1.37(2) . ?
C01J C03Z 1.40(2) . ?
N01K C03F 1.353(18) . ?
N01K C04X 1.39(2) . ?
N01K C05D 1.44(2) . ?
C01L H01L 0.9300 . ?
C01L C03X 1.36(2) . ?
C01M H01M 0.9300 . ?
C01M C02G 1.36(2) . ?
C01M C03F 1.43(2) . ?
C01N C02W 1.448(19) . ?
C01N C031 1.40(2) . ?
C01N C057 1.44(2) . ?
C01O C03H 1.43(2) . ?
C01O C049 1.421(19) . ?
C01O C04S 1.41(2) . ?
C01P C01T 1.41(2) . ?
C01P C02C 1.45(2) . ?
C01Q C01Z 1.485(18) . ?
C01Q C02T 1.40(2) . ?
C01R H01R 0.9300 . ?
C01R C02A 1.416(19) . ?
C01T H01T 0.9300 . ?
C01U H01U 0.9300 . ?
C01U C02B 1.443(18) . ?
C01U C04B 1.35(2) . ?
C01V H01V 0.9300 . ?
C01W H01W 0.9300 . ?
C01W C04J 1.346(19) . ?
C01X C02D 1.42(2) . ?
C01X C03Z 1.44(2) . ?
C01Y C025 1.395(19) . ?
C01Y C030 1.464(19) . ?
C01Z C034 1.48(2) . ?
C01Z C03X 1.393(18) . ?
C020 H020 0.9300 . ?
C020 C02N 1.46(2) . ?
C020 C03C 1.34(2) . ?
C021 C030 1.464(17) . ?
C022 H022 0.9300 . ?
C022 C03J 1.46(2) . ?
C023 H023 0.9300 . ?
C023 C02U 1.46(2) . ?
C023 C03H 1.34(2) . ?
C024 C02E 1.41(2) . ?
C024 C03C 1.47(2) . ?
C024 C051 1.41(3) . ?
C025 H025 0.9300 . ?
C025 C04G 1.47(2) . ?
C026 C036 1.39(2) . ?
C026 C04R 1.465(19) . ?
C027 H027 0.9300 . ?
C027 C02C 1.33(2) . ?
C028 C057 1.42(2) . ?
C028 C05A 1.37(3) . ?
C028 C05B 1.44(2) . ?
C029 H029 0.9300 . ?
C029 C03D 1.40(2) . ?
C029 C04R 1.40(2) . ?
C02A H02A 0.9300 . ?
C02B C02G 1.387(19) . ?
C02B C02W 1.39(2) . ?
C02C H02C 0.9300 . ?
C02D C02Y 1.41(2) . ?
C02D C035 1.43(2) . ?
C02E C02Z 1.43(2) . ?
C02E C04M 1.41(2) . ?
C02F H02F 0.9300 . ?
C02F C03S 1.26(2) . ?
C02G H02G 0.9300 . ?
C02H H02H 0.9300 . ?
C02H C02Y 1.39(2) . ?
C02H C04C 1.40(2) . ?
C02I H02I 0.9300 . ?
C02I C03R 1.38(2) . ?
C02I C04O 1.42(2) . ?
C02J H02J 0.9300 . ?
C02J C02U 1.41(2) . ?
C02J C037 1.37(2) . ?
C02K C02O 1.41(2) . ?
C02K C04P 1.46(2) . ?
C02L C02V 1.41(2) . ?
C02L C034 1.44(2) . ?
C02L C04M 1.45(2) . ?
C02M C02Z 1.40(2) . ?
C02M C043 1.41(2) . ?
C02M C050 1.42(3) . ?
C02N C04M 1.38(2) . ?
C02N C05H 1.40(2) . ?
C02O H02O 0.9300 . ?
C02O C03J 1.34(2) . ?
C02P C02Z 1.46(2) . ?
C02P C034 1.408(19) . ?
C02P C03G 1.34(2) . ?
C02Q C033 1.46(2) . ?
C02Q C036 1.44(2) . ?
C02Q C03D 1.40(2) . ?
C02R C03V 1.44(2) . ?
C02R C045 1.43(2) . ?
C02R C055 1.40(2) . ?
C02S H02S 0.9300 . ?
C02S C04D 1.40(2) . ?
C02S C05D 1.41(2) . ?
C02T C04J 1.43(2) . ?
C02U C03L 1.41(2) . ?
C02V H02V 0.9300 . ?
C02W C041 1.46(2) . ?
C02X C037 1.47(2) . ?
C02Y C03K 1.47(3) . ?
C031 C04B 1.45(2) . ?
C031 C04V 1.42(2) . ?
C032 H032 0.9300 . ?
C032 C03R 1.35(2) . ?
C032 C05G 1.36(2) . ?
C033 H033 0.9300 . ?
C033 C039 1.33(2) . ?
C035 C03E 1.48(2) . ?
C037 H037 0.9300 . ?
C038 C042 1.40(2) . ?
C038 C04Q 1.390(19) . ?
C039 H039 0.9300 . ?
C03A H03A 0.9300 . ?
C03A C047 1.42(2) . ?
C03B C03N 1.382(18) . ?
C03B C03T 1.38(2) . ?
C03C H03C 0.9300 . ?
C03D H03D 0.9300 . ?
C03E C03O 1.40(2) . ?
C03E C04C 1.36(2) . ?
C03F C041 1.42(2) . ?
C03G C03U 1.47(2) . ?
C03H H03H 0.9300 . ?
C03I H03I 0.9300 . ?
C03I C03M 1.35(2) . ?
C03J H03J 0.9300 . ?
C03K H03K 0.9300 . ?
C03K C03Q 1.32(2) . ?
C03L C049 1.43(2) . ?
C03M H03M 0.9300 . ?
C03M C04R 1.42(2) . ?
C03N H03N 0.9300 . ?
C03N C04E 1.37(2) . ?
C03O H03O 0.9300 . ?
C03O C03Y 1.38(2) . ?
C03Q H03Q 0.9300 . ?
C03Q C03Z 1.45(2) . ?
C03S H03S 0.9300 . ?
C03T H03T 0.9300 . ?
C03T C05E 1.42(2) . ?
C03U H03U 0.9300 . ?
C03U C050 1.38(2) . ?
C03V C041 1.49(2) . ?
C03V C04K 1.44(2) . ?
C03W H03W 0.9300 . ?
C03W C057 1.41(2) . ?
C03W C05O 1.43(3) . ?
C03Y H03Y 0.9300 . ?
C040 H040 0.9300 . ?
C040 C055 1.38(2) . ?
C040 C05L 1.40(3) . ?
C042 C047 1.37(2) . ?
C042 C04Z 1.48(2) . ?
C043 H043 0.9300 . ?
C043 C051 1.29(2) . ?
C044 H044 0.9300 . ?
C044 C04X 1.41(2) . ?
C044 C05J 1.38(2) . ?
C045 C04H 1.42(3) . ?
C045 C04N 1.43(3) . ?
C046 H046 0.9300 . ?
C046 C059 1.35(3) . ?
C046 C05F 1.37(3) . ?
C047 H047 0.9300 . ?
C048 H048 0.9300 . ?
C048 C05F 1.398(19) . ?
C04A H04A 0.9300 . ?
C04A C05B 1.39(4) . ?
C04A C05O 1.42(3) . ?
C04B H04B 0.9300 . ?
C04C H04C 0.9300 . ?
C04D H04D 0.9300 . ?
C04D C053 1.45(2) . ?
C04E H04E 0.9300 . ?
C04E C058 1.40(2) . ?
C04F H04F 0.9300 . ?
C04F C04I 1.37(2) . ?
C04F C04Q 1.403(19) . ?
C04G H04G 0.9300 . ?
C04H C04Y 1.49(3) . ?
C04H C05L 1.32(3) . ?
C04I H04I 0.9300 . ?
C04I C04Z 1.31(2) . ?
C04J H04J 0.9300 . ?
C04K C04L 1.48(2) . ?
C04K C04X 1.36(2) . ?
C04L C04N 1.36(3) . ?
C04L C056 1.36(3) . ?
C04N C05M 1.43(3) . ?
C04O H04O 0.9300 . ?
C04O C05I 1.44(3) . ?
C04P H04P 0.9300 . ?
C04P C04S 1.33(2) . ?
C04Q H04Q 0.9300 . ?
C04S H04S 0.9300 . ?
C04V H04V 0.9300 . ?
C04V C05A 1.37(3) . ?
C04W H04W 0.9300 . ?
C04W C059 1.40(2) . ?
C04Y H04Y 0.9300 . ?
C04Y C054 1.41(3) . ?
C04Z H04Z 0.9300 . ?
C050 H050 0.9300 . ?
C051 H051 0.9300 . ?
C052 H052 0.9300 . ?
C052 C056 1.47(3) . ?
C052 C05N 1.33(4) . ?
C053 H053 0.9300 . ?
C053 C05K 1.39(3) . ?
C054 H054 0.9300 . ?
C054 C05M 1.36(3) . ?
C055 H055 0.9300 . ?
C056 C05J 1.37(3) . ?
C058 H058 0.9300 . ?
C058 C05E 1.31(2) . ?
C059 H059 0.9300 . ?
C05A H05A 0.9300 . ?
C05B H05B 0.9300 . ?
C05C H05C 0.9300 . ?
C05C C05D 1.30(2) . ?
C05C C05K 1.35(3) . ?
C05E H05E 0.9300 . ?
C05F H05F 0.9300 . ?
C05G H05G 0.9300 . ?
C05G C05I 1.32(3) . ?
C05H H05H 0.9300 . ?
C05I H05I 0.9300 . ?
C05J H05J 0.9300 . ?
C05K H05K 0.9300 . ?
C05L H05L 0.9300 . ?
C05M C05N 1.44(3) . ?
C05N H05N 0.9300 . ?
C05O H05O 0.9300 . ?

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
F005 P001 F007 177.9(6) . . ?
F005 P001 F00A 91.3(6) . . ?
F005 P001 F00B 90.2(6) . . ?
F006 P001 F005 90.3(5) . . ?
F006 P001 F007 91.2(5) . . ?
F006 P001 F00A 88.3(5) . . ?
F006 P001 F00B 92.2(5) . . ?
F007 P001 F00A 87.2(5) . . ?
F008 P001 F005 90.9(5) . . ?
F008 P001 F006 178.8(6) . . ?
F008 P001 F007 87.6(5) . . ?
F008 P001 F00A 91.3(5) . . ?
F008 P001 F00B 88.2(5) . . ?
F00B P001 F007 91.2(6) . . ?
F00B P001 F00A 178.4(7) . . ?
F00H P002 F00D 90.5(6) . . ?
F00K P002 F00D 91.0(6) . . ?
F00K P002 F00H 91.4(7) . . ?
F00L P002 F00D 175.6(7) . . ?
F00L P002 F00H 86.2(7) . . ?
F00L P002 F00K 92.0(7) . . ?
F00L P002 F00M 93.2(8) . . ?
F00L P002 F011 90.5(8) . . ?
F00M P002 F00D 89.9(7) . . ?
F00M P002 F00H 177.9(9) . . ?
F00M P002 F00K 90.6(8) . . ?
F011 P002 F00D 86.7(7) . . ?
F011 P002 F00H 91.6(8) . . ?
F011 P002 F00K 176.2(8) . . ?
F011 P002 F00M 86.4(9) . . ?
F009 P003 F010 87.5(7) . . ?
F00E P003 F009 90.3(6) . . ?
F00E P003 F00F 97.1(9) . . ?
F00E P003 F00O 87.4(8) . . ?
F00E P003 F010 176.4(8) . . ?
F00F P003 F009 89.7(6) . . ?
F00F P003 F00O 90.7(7) . . ?
F00F P003 F010 85.8(8) . . ?
F00G P003 F009 90.2(6) . . ?
F00G P003 F00E 91.8(8) . . ?
F00G P003 F00F 171.1(10) . . ?
F00G P003 F00O 89.7(7) . . ?
F00G P003 F010 85.3(8) . . ?
F00O P003 F009 177.6(8) . . ?
F00O P003 F010 94.9(8) . . ?
F00R P004 F01D 89.1(7) . . ?
F00R P004 F03P 85.3(7) . . ?
F00R P004 F04T 85.7(10) . . ?
F00R P004 F04U 171.7(11) . . ?
F01D P004 F04T 88.3(9) . . ?
F01D P004 F04U 94.0(9) . . ?
F01S P004 F00R 98.9(10) . . ?
F01S P004 F01D 89.0(7) . . ?
F01S P004 F03P 84.5(9) . . ?
F01S P004 F04T 174.6(12) . . ?
F01S P004 F04U 88.8(10) . . ?
F03P P004 F01D 170.6(11) . . ?
F03P P004 F04T 98.7(11) . . ?
F03P P004 F04U 92.6(9) . . ?
F04U P004 F04T 86.7(11) . . ?
C01H N00C C02X 122.1(11) . . ?
C01H N00C C03B 118.3(12) . . ?
C02X N00C C03B 119.3(13) . . ?
C012 C00I N00X 117.7(15) . . ?
C01A C00I N00X 118.4(13) . . ?
C01A C00I C012 123.5(13) . . ?
C03G N00J C03R 123.3(12) . . ?
C03G N00J C03X 120.9(13) . . ?
C03X N00J C03R 115.4(12) . . ?
C01R C00N C015 120.2(12) . . ?
C01R C00N C01X 116.7(12) . . ?
C01X C00N C015 123.0(11) . . ?
C030 C00P C02X 111.1(13) . . ?
C03L C00P C02X 117.1(14) . . ?
C03L C00P C030 131.8(13) . . ?
C01P C00Q C00V 118.9(14) . . ?
C021 C00Q C00V 119.0(13) . . ?
C021 C00Q C01P 122.1(15) . . ?
C00Z C00S H00S 119.5 . . ?
C01V C00S H00S 119.5 . . ?
C01V C00S C00Z 121.1(12) . . ?
C01B C00T H00T 118.6 . . ?
C022 C00T H00T 118.6 . . ?
C022 C00T C01B 122.9(13) . . ?
C012 C00U C036 118.8(15) . . ?
C015 C00U C012 114.4(14) . . ?
C015 C00U C036 126.7(13) . . ?
C00Y C00V C00Q 119.9(14) . . ?
C01F C00V C00Q 118.1(14) . . ?
C01F C00V C00Y 122.0(15) . . ?
C018 C00W H00W 118.5 . . ?
C01V C00W H00W 118.5 . . ?
C01V C00W C018 123.0(12) . . ?
C048 N00X C00I 122.2(14) . . ?
C048 N00X C04W 122.7(14) . . ?
C04W N00X C00I 115.1(14) . . ?
C016 C00Y C00V 114.5(15) . . ?
C016 C00Y C01Y 126.1(15) . . ?
C01Y C00Y C00V 119.2(15) . . ?
C00S C00Z H00Z 120.7 . . ?
C00S C00Z C01G 118.7(12) . . ?
C01G C00Z H00Z 120.7 . . ?
C00I C012 C00U 120.6(15) . . ?
C00I C012 C039 121.5(14) . . ?
C039 C012 C00U 117.8(16) . . ?
C02V C013 H013 119.0 . . ?
C05H C013 H013 119.0 . . ?
C05H C013 C02V 122.1(15) . . ?
C01H C014 H014 119.7 . . ?
C01T C014 H014 119.7 . . ?
C01T C014 C01H 120.6(14) . . ?
C00U C015 C00N 127.2(12) . . ?
C00U C015 C019 122.6(13) . . ?
C019 C015 C00N 110.2(13) . . ?
C00Y C016 C01E 113.7(15) . . ?
C00Y C016 C03S 125.0(17) . . ?
C03S C016 C01E 121.4(16) . . ?
C01L C017 H017 119.2 . . ?
C01L C017 C02T 121.7(14) . . ?
C02T C017 H017 119.2 . . ?
C01G C018 C00W 118.8(12) . . ?
C01G C018 C03I 117.7(13) . . ?
C03I C018 C00W 123.5(13) . . ?
C015 C019 C01A 117.4(15) . . ?
C035 C019 C015 126.1(13) . . ?
C035 C019 C01A 116.1(13) . . ?
C00I C01A C019 115.4(13) . . ?
C00I C01A C03Y 124.0(13) . . ?
C03Y C01A C019 120.4(16) . . ?
C02K C01B C00T 115.2(12) . . ?
C02K C01B C049 121.6(12) . . ?
C049 C01B C00T 123.2(12) . . ?
C01I C01C C01W 121.8(13) . . ?
C01I C01C C03A 121.0(15) . . ?
C01W C01C C03A 117.2(13) . . ?
C016 C01E H01E 117.4 . . ?
C04G C01E C016 125.1(16) . . ?
C04G C01E H01E 117.4 . . ?
C00V C01F C027 123.1(16) . . ?
C00V C01F C02F 116.4(13) . . ?
C027 C01F C02F 120.4(16) . . ?
C018 C01G C00Z 118.4(11) . . ?
C018 C01G C026 122.4(12) . . ?
C026 C01G C00Z 118.8(11) . . ?
N00C C01H C014 122.3(13) . . ?
N00C C01H C021 121.1(12) . . ?
C021 C01H C014 116.6(14) . . ?
C01C C01I C01Q 118.8(12) . . ?
C01C C01I C038 119.6(12) . . ?
C01Q C01I C038 121.5(11) . . ?
C02A C01J H01J 119.4 . . ?
C02A C01J C03Z 121.2(13) . . ?
C03Z C01J H01J 119.4 . . ?
C03F N01K C04X 122.0(13) . . ?
C03F N01K C05D 120.9(14) . . ?
C04X N01K C05D 116.6(13) . . ?
C017 C01L H01L 120.0 . . ?
C017 C01L C03X 120.1(13) . . ?
C03X C01L H01L 120.0 . . ?
C02G C01M H01M 120.5 . . ?
C02G C01M C03F 119.0(15) . . ?
C03F C01M H01M 120.5 . . ?
C031 C01N C02W 116.3(13) . . ?
C031 C01N C057 114.3(13) . . ?
C057 C01N C02W 129.3(14) . . ?
C049 C01O C03H 122.4(14) . . ?
C04S C01O C03H 118.0(13) . . ?
C04S C01O C049 119.5(13) . . ?
C00Q C01P C01T 115.8(15) . . ?
C00Q C01P C02C 117.9(15) . . ?
C01T C01P C02C 126.1(15) . . ?
C01I C01Q C01Z 127.2(13) . . ?
C02T C01Q C01I 115.5(12) . . ?
C02T C01Q C01Z 117.3(11) . . ?
C00N C01R H01R 118.8 . . ?
C02A C01R C00N 122.5(15) . . ?
C02A C01R H01R 118.8 . . ?
C014 C01T C01P 123.1(14) . . ?
C014 C01T H01T 118.4 . . ?
C01P C01T H01T 118.4 . . ?
C02B C01U H01U 120.7 . . ?
C04B C01U H01U 120.7 . . ?
C04B C01U C02B 118.6(14) . . ?
C00S C01V H01V 120.5 . . ?
C00W C01V C00S 119.0(13) . . ?
C00W C01V H01V 120.5 . . ?
C01C C01W H01W 119.8 . . ?
C04J C01W C01C 120.4(13) . . ?
C04J C01W H01W 119.8 . . ?
C00N C01X C03Z 120.9(14) . . ?
C02D C01X C00N 119.9(13) . . ?
C02D C01X C03Z 119.1(16) . . ?
C00Y C01Y C030 119.8(14) . . ?
C025 C01Y C00Y 117.4(14) . . ?
C025 C01Y C030 122.8(14) . . ?
C034 C01Z C01Q 122.1(12) . . ?
C03X C01Z C01Q 115.4(12) . . ?
C03X C01Z C034 122.5(12) . . ?
C02N C020 H020 120.0 . . ?
C03C C020 H020 120.0 . . ?
C03C C020 C02N 120.0(17) . . ?
C00Q C021 C01H 121.1(13) . . ?
C00Q C021 C030 122.1(13) . . ?
C01H C021 C030 116.8(13) . . ?
C00T C022 H022 121.1 . . ?
C00T C022 C03J 117.8(14) . . ?
C03J C022 H022 121.1 . . ?
C02U C023 H023 118.5 . . ?
C03H C023 H023 118.5 . . ?
C03H C023 C02U 123.0(15) . . ?
C02E C024 C03C 116.8(16) . . ?
C02E C024 C051 119.2(16) . . ?
C051 C024 C03C 123.4(17) . . ?
C01Y C025 H025 119.1 . . ?
C01Y C025 C04G 121.7(15) . . ?
C04G C025 H025 119.1 . . ?
C01G C026 C04R 115.7(13) . . ?
C036 C026 C01G 127.6(13) . . ?
C036 C026 C04R 116.5(13) . . ?
C01F C027 H027 121.1 . . ?
C02C C027 C01F 117.9(16) . . ?
C02C C027 H027 121.1 . . ?
C057 C028 C05B 119(2) . . ?
C05A C028 C057 118.4(16) . . ?
C05A C028 C05B 122(2) . . ?
C03D C029 H029 119.8 . . ?
C03D C029 C04R 120.3(13) . . ?
C04R C029 H029 119.8 . . ?
C01J C02A C01R 119.4(14) . . ?
C01J C02A H02A 120.3 . . ?
C01R C02A H02A 120.3 . . ?
C02G C02B C01U 118.7(14) . . ?
C02W C02B C01U 121.1(13) . . ?
C02W C02B C02G 120.2(14) . . ?
C01P C02C H02C 118.0 . . ?
C027 C02C C01P 124.1(15) . . ?
C027 C02C H02C 118.0 . . ?
C01X C02D C035 116.4(14) . . ?
C02Y C02D C01X 123.8(17) . . ?
C02Y C02D C035 119.7(16) . . ?
C024 C02E C02Z 118.1(15) . . ?
C04M C02E C024 120.2(15) . . ?
C04M C02E C02Z 121.6(15) . . ?
C01F C02F H02F 119.2 . . ?
C03S C02F C01F 121.6(16) . . ?
C03S C02F H02F 119.2 . . ?
C01M C02G C02B 121.5(15) . . ?
C01M C02G H02G 119.3 . . ?
C02B C02G H02G 119.3 . . ?
C02Y C02H H02H 121.1 . . ?
C02Y C02H C04C 117.7(16) . . ?
C04C C02H H02H 121.2 . . ?
C03R C02I H02I 121.5 . . ?
C03R C02I C04O 117.0(18) . . ?
C04O C02I H02I 121.5 . . ?
C02U C02J H02J 119.2 . . ?
C037 C02J H02J 119.2 . . ?
C037 C02J C02U 121.6(15) . . ?
C01B C02K C04P 118.7(14) . . ?
C02O C02K C01B 123.0(13) . . ?
C02O C02K C04P 118.1(13) . . ?
C02V C02L C034 125.7(15) . . ?
C02V C02L C04M 117.9(15) . . ?
C034 C02L C04M 116.4(14) . . ?
C02Z C02M C043 119.4(18) . . ?
C02Z C02M C050 116.9(15) . . ?
C043 C02M C050 123.7(16) . . ?
C04M C02N C020 118.5(17) . . ?
C04M C02N C05H 120.4(16) . . ?
C05H C02N C020 121.1(15) . . ?
C02K C02O H02O 120.9 . . ?
C03J C02O C02K 118.3(14) . . ?
C03J C02O H02O 120.9 . . ?
C034 C02P C02Z 114.3(12) . . ?
C03G C02P C02Z 120.8(13) . . ?
C03G C02P C034 124.7(14) . . ?
C036 C02Q C033 119.3(16) . . ?
C03D C02Q C033 121.3(15) . . ?
C03D C02Q C036 118.8(17) . . ?
C045 C02R C03V 117.6(18) . . ?
C055 C02R C03V 122.1(15) . . ?
C055 C02R C045 119.9(17) . . ?
C04D C02S H02S 118.7 . . ?
C04D C02S C05D 122.7(18) . . ?
C05D C02S H02S 118.7 . . ?
C017 C02T C04J 119.8(14) . . ?
C01Q C02T C017 118.4(13) . . ?
C01Q C02T C04J 121.8(13) . . ?
C02J C02U C023 121.5(14) . . ?
C03L C02U C023 116.6(15) . . ?
C03L C02U C02J 121.8(14) . . ?
C013 C02V C02L 119.9(15) . . ?
C013 C02V H02V 120.0 . . ?
C02L C02V H02V 120.0 . . ?
C01N C02W C041 120.6(13) . . ?
C02B C02W C01N 120.1(13) . . ?
C02B C02W C041 119.1(13) . . ?
N00C C02X C00P 122.1(13) . . ?
N00C C02X C037 119.8(14) . . ?
C037 C02X C00P 117.8(13) . . ?
C02D C02Y C03K 114.1(19) . . ?
C02H C02Y C02D 123.8(19) . . ?
C02H C02Y C03K 122.0(17) . . ?
C02E C02Z C02P 120.6(13) . . ?
C02M C02Z C02E 119.3(15) . . ?
C02M C02Z C02P 120.1(14) . . ?
C00P C030 C01Y 120.9(12) . . ?
C00P C030 C021 122.2(13) . . ?
C021 C030 C01Y 116.9(14) . . ?
C01N C031 C04B 121.4(15) . . ?
C01N C031 C04V 121.3(16) . . ?
C04V C031 C04B 117.3(17) . . ?
C03R C032 H032 120.3 . . ?
C03R C032 C05G 119(2) . . ?
C05G C032 H032 120.3 . . ?
C02Q C033 H033 118.3 . . ?
C039 C033 C02Q 123.3(16) . . ?
C039 C033 H033 118.3 . . ?
C02L C034 C01Z 123.7(13) . . ?
C02P C034 C01Z 111.6(12) . . ?
C02P C034 C02L 124.1(15) . . ?
C019 C035 C02D 121.6(15) . . ?
C019 C035 C03E 124.4(14) . . ?
C02D C035 C03E 114.0(15) . . ?
C026 C036 C00U 124.4(13) . . ?
C026 C036 C02Q 119.0(15) . . ?
C02Q C036 C00U 116.4(14) . . ?
C02J C037 C02X 118.3(16) . . ?
C02J C037 H037 120.8 . . ?
C02X C037 H037 120.8 . . ?
C042 C038 C01I 115.9(13) . . ?
C04Q C038 C01I 123.2(12) . . ?
C04Q C038 C042 120.7(14) . . ?
C012 C039 H039 119.5 . . ?
C033 C039 C012 121.0(15) . . ?
C033 C039 H039 119.5 . . ?
C01C C03A H03A 122.2 . . ?
C047 C03A C01C 115.6(16) . . ?
C047 C03A H03A 122.2 . . ?
C03N C03B N00C 123.6(13) . . ?
C03T C03B N00C 112.6(13) . . ?
C03T C03B C03N 123.7(15) . . ?
C020 C03C C024 122.4(17) . . ?
C020 C03C H03C 118.8 . . ?
C024 C03C H03C 118.8 . . ?
C029 C03D C02Q 120.2(16) . . ?
C029 C03D H03D 119.9 . . ?
C02Q C03D H03D 119.9 . . ?
C03O C03E C035 115.0(15) . . ?
C04C C03E C035 124.2(15) . . ?
C04C C03E C03O 120.4(14) . . ?
N01K C03F C01M 119.2(15) . . ?
N01K C03F C041 119.9(15) . . ?
C041 C03F C01M 120.7(14) . . ?
N00J C03G C03U 118.9(15) . . ?
C02P C03G N00J 119.9(14) . . ?
C02P C03G C03U 121.1(15) . . ?
C01O C03H H03H 120.9 . . ?
C023 C03H C01O 118.1(15) . . ?
C023 C03H H03H 120.9 . . ?
C018 C03I H03I 118.2 . . ?
C03M C03I C018 123.6(14) . . ?
C03M C03I H03I 118.2 . . ?
C022 C03J H03J 118.9 . . ?
C02O C03J C022 122.1(15) . . ?
C02O C03J H03J 118.9 . . ?
C02Y C03K H03K 118.2 . . ?
C03Q C03K C02Y 123.6(18) . . ?
C03Q C03K H03K 118.2 . . ?
C00P C03L C02U 117.8(14) . . ?
C00P C03L C049 120.9(14) . . ?
C02U C03L C049 121.2(14) . . ?
C03I C03M H03M 119.7 . . ?
C03I C03M C04R 120.6(13) . . ?
C04R C03M H03M 119.7 . . ?
C03B C03N H03N 120.6 . . ?
C04E C03N C03B 118.7(13) . . ?
C04E C03N H03N 120.6 . . ?
C03E C03O H03O 117.8 . . ?
C03Y C03O C03E 124.5(17) . . ?
C03Y C03O H03O 117.8 . . ?
C03K C03Q H03Q 118.8 . . ?
C03K C03Q C03Z 122.5(16) . . ?
C03Z C03Q H03Q 118.8 . . ?
C02I C03R N00J 115.7(15) . . ?
C032 C03R N00J 121.7(16) . . ?
C032 C03R C02I 122.6(17) . . ?
C016 C03S H03S 120.0 . . ?
C02F C03S C016 120.1(18) . . ?
C02F C03S H03S 120.0 . . ?
C03B C03T H03T 122.3 . . ?
C03B C03T C05E 115.3(16) . . ?
C05E C03T H03T 122.4 . . ?
C03G C03U H03U 121.8 . . ?
C050 C03U C03G 116.5(17) . . ?
C050 C03U H03U 121.8 . . ?
C02R C03V C041 123.8(17) . . ?
C04K C03V C02R 121.8(16) . . ?
C04K C03V C041 114.4(15) . . ?
C057 C03W H03W 117.0 . . ?
C057 C03W C05O 126(2) . . ?
C05O C03W H03W 117.0 . . ?
C01L C03X N00J 121.0(12) . . ?
C01L C03X C01Z 123.0(12) . . ?
C01Z C03X N00J 115.8(13) . . ?
C01A C03Y H03Y 120.5 . . ?
C03O C03Y C01A 119.1(16) . . ?
C03O C03Y H03Y 120.5 . . ?
C01J C03Z C01X 118.9(15) . . ?
C01J C03Z C03Q 124.5(14) . . ?
C01X C03Z C03Q 116.6(15) . . ?
C055 C040 H040 119.4 . . ?
C055 C040 C05L 121(2) . . ?
C05L C040 H040 119.4 . . ?
C02W C041 C03V 128.5(16) . . ?
C03F C041 C02W 114.5(14) . . ?
C03F C041 C03V 116.8(16) . . ?
C038 C042 C04Z 116.4(15) . . ?
C047 C042 C038 122.7(16) . . ?
C047 C042 C04Z 120.9(17) . . ?
C02M C043 H043 119.5 . . ?
C051 C043 C02M 121(2) . . ?
C051 C043 H043 119.5 . . ?
C04X C044 H044 119.6 . . ?
C05J C044 H044 119.6 . . ?
C05J C044 C04X 121(2) . . ?
C02R C045 C04N 119(2) . . ?
C04H C045 C02R 118(2) . . ?
C04H C045 C04N 122.8(19) . . ?
C059 C046 H046 119.9 . . ?
C059 C046 C05F 120.1(19) . . ?
C05F C046 H046 120.0 . . ?
C03A C047 H047 118.5 . . ?
C042 C047 C03A 123.1(16) . . ?
C042 C047 H047 118.5 . . ?
N00X C048 H048 121.5 . . ?
N00X C048 C05F 117.0(16) . . ?
C05F C048 H048 121.5 . . ?
C01B C049 C01O 116.0(13) . . ?
C01B C049 C03L 127.4(13) . . ?
C01O C049 C03L 116.4(14) . . ?
C05B C04A H04A 118.0 . . ?
C05B C04A C05O 124(2) . . ?
C05O C04A H04A 118.0 . . ?
C01U C04B C031 120.6(16) . . ?
C01U C04B H04B 119.7 . . ?
C031 C04B H04B 119.7 . . ?
C02H C04C H04C 119.7 . . ?
C03E C04C C02H 120.5(15) . . ?
C03E C04C H04C 119.7 . . ?
C02S C04D H04D 122.6 . . ?
C02S C04D C053 114.8(17) . . ?
C053 C04D H04D 122.6 . . ?
C03N C04E H04E 121.0 . . ?
C03N C04E C058 118.0(15) . . ?
C058 C04E H04E 121.0 . . ?
C04I C04F H04F 120.6 . . ?
C04I C04F C04Q 118.8(18) . . ?
C04Q C04F H04F 120.6 . . ?
C01E C04G C025 115.7(15) . . ?
C01E C04G H04G 122.1 . . ?
C025 C04G H04G 122.1 . . ?
C045 C04H C04Y 118(2) . . ?
C05L C04H C045 121(2) . . ?
C05L C04H C04Y 121(2) . . ?
C04F C04I H04I 118.2 . . ?
C04Z C04I C04F 123.5(17) . . ?
C04Z C04I H04I 118.2 . . ?
C01W C04J C02T 119.1(14) . . ?
C01W C04J H04J 120.5 . . ?
C02T C04J H04J 120.5 . . ?
C03V C04K C04L 116.6(16) . . ?
C04X C04K C03V 122.2(14) . . ?
C04X C04K C04L 121.0(16) . . ?
C04N C04L C04K 119.6(18) . . ?
C04N C04L C056 124(2) . . ?
C056 C04L C04K 116(2) . . ?
C02E C04M C02L 118.8(15) . . ?
C02N C04M C02E 121.8(16) . . ?
C02N C04M C02L 119.4(16) . . ?
C04L C04N C045 122.9(19) . . ?
C04L C04N C05M 121(2) . . ?
C05M C04N C045 116(2) . . ?
C02I C04O H04O 120.4 . . ?
C02I C04O C05I 119.3(18) . . ?
C05I C04O H04O 120.4 . . ?
C02K C04P H04P 121.4 . . ?
C04S C04P C02K 117.2(14) . . ?
C04S C04P H04P 121.4 . . ?
C038 C04Q C04F 119.7(16) . . ?
C038 C04Q H04Q 120.2 . . ?
C04F C04Q H04Q 120.2 . . ?
C029 C04R C026 119.8(13) . . ?
C029 C04R C03M 121.4(13) . . ?
C03M C04R C026 118.8(14) . . ?
C01O C04S H04S 117.8 . . ?
C04P C04S C01O 124.5(14) . . ?
C04P C04S H04S 117.8 . . ?
C031 C04V H04V 119.6 . . ?
C05A C04V C031 120.8(19) . . ?
C05A C04V H04V 119.6 . . ?
N00X C04W H04W 122.0 . . ?
C059 C04W N00X 116.0(17) . . ?
C059 C04W H04W 122.0 . . ?
N01K C04X C044 121.7(17) . . ?
C04K C04X N01K 119.1(13) . . ?
C04K C04X C044 119.0(17) . . ?
C04H C04Y H04Y 121.8 . . ?
C054 C04Y C04H 116.3(19) . . ?
C054 C04Y H04Y 121.8 . . ?
C042 C04Z H04Z 120.2 . . ?
C04I C04Z C042 119.6(17) . . ?
C04I C04Z H04Z 120.2 . . ?
C02M C050 H050 117.8 . . ?
C03U C050 C02M 124.4(16) . . ?
C03U C050 H050 117.8 . . ?
C024 C051 H051 118.9 . . ?
C043 C051 C024 122(2) . . ?
C043 C051 H051 118.9 . . ?
C056 C052 H052 121.2 . . ?
C05N C052 H052 121.2 . . ?
C05N C052 C056 118(3) . . ?
C04D C053 H053 119.1 . . ?
C05K C053 C04D 121.8(17) . . ?
C05K C053 H053 119.1 . . ?
C04Y C054 H054 118.0 . . ?
C05M C054 C04Y 124(2) . . ?
C05M C054 H054 118.0 . . ?
C02R C055 H055 120.8 . . ?
C040 C055 C02R 118.4(16) . . ?
C040 C055 H055 120.8 . . ?
C04L C056 C052 117(2) . . ?
C04L C056 C05J 124(2) . . ?
C05J C056 C052 119(2) . . ?
C028 C057 C01N 122.2(16) . . ?
C03W C057 C01N 120.6(15) . . ?
C03W C057 C028 117.2(16) . . ?
C04E C058 H058 118.4 . . ?
C05E C058 C04E 123.1(15) . . ?
C05E C058 H058 118.4 . . ?
C046 C059 C04W 122.5(19) . . ?
C046 C059 H059 118.7 . . ?
C04W C059 H059 118.7 . . ?
C028 C05A C04V 120.6(17) . . ?
C028 C05A H05A 119.7 . . ?
C04V C05A H05A 119.7 . . ?
C028 C05B H05B 120.3 . . ?
C04A C05B C028 119(2) . . ?
C04A C05B H05B 120.3 . . ?
C05D C05C H05C 116.1 . . ?
C05D C05C C05K 128(3) . . ?
C05K C05C H05C 116.1 . . ?
C02S C05D N01K 120.7(15) . . ?
C05C C05D N01K 122.2(18) . . ?
C05C C05D C02S 117(2) . . ?
C03T C05E H05E 119.5 . . ?
C058 C05E C03T 121.0(15) . . ?
C058 C05E H05E 119.5 . . ?
C046 C05F C048 121.7(18) . . ?
C046 C05F H05F 119.1 . . ?
C048 C05F H05F 119.1 . . ?
C032 C05G H05G 118.4 . . ?
C05I C05G C032 123(2) . . ?
C05I C05G H05G 118.4 . . ?
C013 C05H C02N 120.0(14) . . ?
C013 C05H H05H 120.0 . . ?
C02N C05H H05H 120.0 . . ?
C04O C05I H05I 120.8 . . ?
C05G C05I C04O 118(2) . . ?
C05G C05I H05I 120.8 . . ?
C044 C05J H05J 120.4 . . ?
C056 C05J C044 119(2) . . ?
C056 C05J H05J 120.4 . . ?
C053 C05K H05K 122.0 . . ?
C05C C05K C053 116.0(19) . . ?
C05C C05K H05K 122.0 . . ?
C040 C05L H05L 119.6 . . ?
C04H C05L C040 121(2) . . ?
C04H C05L H05L 119.6 . . ?
C04N C05M C05N 114(2) . . ?
C054 C05M C04N 122(2) . . ?
C054 C05M C05N 123(2) . . ?
C052 C05N C05M 125(2) . . ?
C052 C05N H05N 117.4 . . ?
C05M C05N H05N 117.4 . . ?
C03W C05O C04A 112(2) . . ?
C03W C05O H05O 123.8 . . ?
C04A C05O H05O 123.8 . . ?

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
N00C C01H C021 C00Q -177.8(13) . . . . ?
N00C C01H C021 C030 2(2) . . . . ?
N00C C02X C037 C02J -176.7(13) . . . . ?
N00C C03B C03N C04E 174.7(16) . . . . ?
N00C C03B C03T C05E -173.3(15) . . . . ?
C00I N00X C048 C05F 178.9(15) . . . . ?
C00I N00X C04W C059 -177.6(15) . . . . ?
C00I C012 C039 C033 -178.4(15) . . . . ?
C00I C01A C03Y C03O -179.1(14) . . . . ?
N00J C03G C03U C050 -178.6(14) . . . . ?
C00N C015 C019 C01A -167.3(11) . . . . ?
C00N C015 C019 C035 20.2(18) . . . . ?
C00N C01R C02A C01J 1(2) . . . . ?
C00N C01X C02D C02Y 180.0(14) . . . . ?
C00N C01X C02D C035 3(2) . . . . ?
C00N C01X C03Z C01J 0(2) . . . . ?
C00N C01X C03Z C03Q 179.7(13) . . . . ?
C00P C02X C037 C02J -2(2) . . . . ?
C00P C03L C049 C01B -25(2) . . . . ?
C00P C03L C049 C01O 160.3(14) . . . . ?
C00Q C00V C00Y C016 -172.1(13) . . . . ?
C00Q C00V C00Y C01Y 3.2(19) . . . . ?
C00Q C00V C01F C027 -1(2) . . . . ?
C00Q C00V C01F C02F 176.9(12) . . . . ?
C00Q C01P C01T C014 -6(2) . . . . ?
C00Q C01P C02C C027 1(2) . . . . ?
C00Q C021 C030 C00P -162.9(13) . . . . ?
C00Q C021 C030 C01Y 18(2) . . . . ?
C00S C00Z C01G C018 -11(2) . . . . ?
C00S C00Z C01G C026 176.0(14) . . . . ?
C00T C01B C02K C02O 7(2) . . . . ?
C00T C01B C02K C04P -167.7(14) . . . . ?
C00T C01B C049 C01O 159.8(15) . . . . ?
C00T C01B C049 C03L -15(3) . . . . ?
C00T C022 C03J C02O 8(2) . . . . ?
C00U C012 C039 C033 -3(2) . . . . ?
C00U C015 C019 C01A 14.2(19) . . . . ?
C00U C015 C019 C035 -158.4(14) . . . . ?
C00V C00Q C01P C01T -173.0(13) . . . . ?
C00V C00Q C01P C02C 2(2) . . . . ?
C00V C00Q C021 C01H 174.5(13) . . . . ?
C00V C00Q C021 C030 -5(2) . . . . ?
C00V C00Y C016 C01E 172.6(12) . . . . ?
C00V C00Y C016 C03S -8(2) . . . . ?
C00V C00Y C01Y C025 -169.2(13) . . . . ?
C00V C00Y C01Y C030 10(2) . . . . ?
C00V C01F C027 C02C 4(2) . . . . ?
C00V C01F C02F C03S -2(2) . . . . ?
C00W C018 C01G C00Z 11(2) . . . . ?
C00W C018 C01G C026 -175.6(14) . . . . ?
C00W C018 C03I C03M -175.0(16) . . . . ?
N00X C00I C012 C00U 177.9(12) . . . . ?
N00X C00I C012 C039 -6(2) . . . . ?
N00X C00I C01A C019 169.8(12) . . . . ?
N00X C00I C01A C03Y -6(2) . . . . ?
N00X C048 C05F C046 -1(2) . . . . ?
N00X C04W C059 C046 -2(3) . . . . ?
C00Y C00V C01F C027 -177.9(14) . . . . ?
C00Y C00V C01F C02F 0(2) . . . . ?
C00Y C016 C01E C04G -2(2) . . . . ?
C00Y C016 C03S C02F 6(2) . . . . ?
C00Y C01Y C025 C04G -4(2) . . . . ?
C00Y C01Y C030 C00P 160.5(13) . . . . ?
C00Y C01Y C030 C021 -20.6(19) . . . . ?
C00Z C00S C01V C00W 4(2) . . . . ?
C00Z C01G C026 C036 -26(2) . . . . ?
C00Z C01G C026 C04R 160.4(14) . . . . ?
C012 C00I N00X C048 -71.0(19) . . . . ?
C012 C00I N00X C04W 108.1(18) . . . . ?
C012 C00I C01A C019 -18(2) . . . . ?
C012 C00I C01A C03Y 166.0(15) . . . . ?
C012 C00U C015 C00N 155.5(12) . . . . ?
C012 C00U C015 C019 -26.2(18) . . . . ?
C012 C00U C036 C026 154.8(14) . . . . ?
C012 C00U C036 C02Q -20.2(18) . . . . ?
C014 C01H C021 C00Q 3(2) . . . . ?
C014 C01H C021 C030 -177.7(12) . . . . ?
C015 C00N C01R C02A 176.9(13) . . . . ?
C015 C00N C01X C02D 7(2) . . . . ?
C015 C00N C01X C03Z -177.8(12) . . . . ?
C015 C00U C012 C00I 17.0(19) . . . . ?
C015 C00U C012 C039 -158.9(13) . . . . ?
C015 C00U C036 C026 -30(2) . . . . ?
C015 C00U C036 C02Q 155.4(13) . . . . ?
C015 C019 C01A C00I 9.0(17) . . . . ?
C015 C019 C01A C03Y -175.1(12) . . . . ?
C015 C019 C035 C02D -12(2) . . . . ?
C015 C019 C035 C03E 167.8(13) . . . . ?
C016 C00Y C01Y C025 5(2) . . . . ?
C016 C00Y C01Y C030 -175.0(14) . . . . ?
C016 C01E C04G C025 3(2) . . . . ?
C017 C01L C03X N00J -179.7(13) . . . . ?
C017 C01L C03X C01Z 5(2) . . . . ?
C017 C02T C04J C01W -176.8(13) . . . . ?
C018 C00W C01V C00S -4(2) . . . . ?
C018 C01G C026 C036 161.1(16) . . . . ?
C018 C01G C026 C04R -13(2) . . . . ?
C018 C03I C03M C04R -5(3) . . . . ?
C019 C01A C03Y C03O 5(2) . . . . ?
C019 C035 C03E C03O 8(2) . . . . ?
C019 C035 C03E C04C 179.9(15) . . . . ?
C01A C00I N00X C048 101(2) . . . . ?
C01A C00I N00X C04W -79.3(17) . . . . ?
C01A C00I C012 C00U 6(2) . . . . ?
C01A C00I C012 C039 -178.5(13) . . . . ?
C01A C019 C035 C02D 175.4(12) . . . . ?
C01A C019 C035 C03E -5(2) . . . . ?
C01B C00T C022 C03J -2(2) . . . . ?
C01B C02K C02O C03J -1(2) . . . . ?
C01B C02K C04P C04S 2(2) . . . . ?
C01C C01I C01Q C01Z -159.8(13) . . . . ?
C01C C01I C01Q C02T 18.0(19) . . . . ?
C01C C01I C038 C042 17(2) . . . . ?
C01C C01I C038 C04Q -157.6(15) . . . . ?
C01C C01W C04J C02T 7(2) . . . . ?
C01C C03A C047 C042 7(2) . . . . ?
C01E C016 C03S C02F -174.2(15) . . . . ?
C01F C00V C00Y C016 5(2) . . . . ?
C01F C00V C00Y C01Y 180.0(13) . . . . ?
C01F C027 C02C C01P -4(2) . . . . ?
C01F C02F C03S C016 -1(2) . . . . ?
C01G C018 C03I C03M 4(3) . . . . ?
C01G C026 C036 C00U -16(2) . . . . ?
C01G C026 C036 C02Q 158.7(15) . . . . ?
C01G C026 C04R C029 -168.2(14) . . . . ?
C01G C026 C04R C03M 11(2) . . . . ?
C01H N00C C02X C00P 0.6(19) . . . . ?
C01H N00C C02X C037 174.5(13) . . . . ?
C01H N00C C03B C03N 88(2) . . . . ?
C01H N00C C03B C03T -94.3(17) . . . . ?
C01H C014 C01T C01P 3(2) . . . . ?
C01H C021 C030 C00P 17(2) . . . . ?
C01H C021 C030 C01Y -161.5(13) . . . . ?
C01I C01C C01W C04J -4(2) . . . . ?
C01I C01C C03A C047 3(2) . . . . ?
C01I C01Q C01Z C034 24(2) . . . . ?
C01I C01Q C01Z C03X -157.8(13) . . . . ?
C01I C01Q C02T C017 164.5(12) . . . . ?
C01I C01Q C02T C04J -15.3(19) . . . . ?
C01I C038 C042 C047 -8(2) . . . . ?
C01I C038 C042 C04Z 174.4(14) . . . . ?
C01I C038 C04Q C04F -176.1(14) . . . . ?
N01K C03F C041 C02W 164.6(14) . . . . ?
N01K C03F C041 C03V -20(2) . . . . ?
C01L C017 C02T C01Q 4(2) . . . . ?
C01L C017 C02T C04J -176.5(14) . . . . ?
C01M C03F C041 C02W -21(2) . . . . ?
C01M C03F C041 C03V 154.9(14) . . . . ?
C01N C02W C041 C03F -158.4(14) . . . . ?
C01N C02W C041 C03V 26(2) . . . . ?
C01N C031 C04B C01U -2(3) . . . . ?
C01N C031 C04V C05A 0(3) . . . . ?
C01P C00Q C00V C00Y 175.1(13) . . . . ?
C01P C00Q C00V C01F -2(2) . . . . ?
C01P C00Q C021 C01H -7(2) . . . . ?
C01P C00Q C021 C030 173.8(13) . . . . ?
C01Q C01I C038 C042 -165.7(14) . . . . ?
C01Q C01I C038 C04Q 20(2) . . . . ?
C01Q C01Z C034 C02L 28(2) . . . . ?
C01Q C01Z C034 C02P -159.4(11) . . . . ?
C01Q C01Z C03X N00J 165.9(11) . . . . ?
C01Q C01Z C03X C01L -18.7(19) . . . . ?
C01Q C02T C04J C01W 3(2) . . . . ?
C01R C00N C015 C00U -22(2) . . . . ?
C01R C00N C015 C019 159.7(12) . . . . ?
C01R C00N C01X C02D -170.1(13) . . . . ?
C01R C00N C01X C03Z 5(2) . . . . ?
C01T C014 C01H N00C 179.6(14) . . . . ?
C01T C014 C01H C021 -1(2) . . . . ?
C01T C01P C02C C027 175.3(16) . . . . ?
C01U C02B C02G C01M 179.9(14) . . . . ?
C01U C02B C02W C01N -11(2) . . . . ?
C01U C02B C02W C041 163.5(14) . . . . ?
C01V C00S C00Z C01G 3(2) . . . . ?
C01V C00W C018 C01G -4(2) . . . . ?
C01V C00W C018 C03I 174.8(16) . . . . ?
C01W C01C C01I C01Q -9(2) . . . . ?
C01W C01C C01I C038 168.4(13) . . . . ?
C01W C01C C03A C047 -179.9(13) . . . . ?
C01X C00N C015 C00U 160.9(14) . . . . ?
C01X C00N C015 C019 -17.6(17) . . . . ?
C01X C00N C01R C02A -6(2) . . . . ?
C01X C02D C02Y C02H -179.9(15) . . . . ?
C01X C02D C02Y C03K 0(2) . . . . ?
C01X C02D C035 C019 -1(2) . . . . ?
C01X C02D C035 C03E 179.0(13) . . . . ?
C01Y C00Y C016 C01E -2(2) . . . . ?
C01Y C00Y C016 C03S 177.0(14) . . . . ?
C01Y C025 C04G C01E 0(2) . . . . ?
C01Z C01Q C02T C017 -17.4(18) . . . . ?
C01Z C01Q C02T C04J 162.8(12) . . . . ?
C020 C02N C04M C02E 6(2) . . . . ?
C020 C02N C04M C02L -175.9(13) . . . . ?
C020 C02N C05H C013 -179.8(14) . . . . ?
C021 C00Q C00V C00Y -5.9(19) . . . . ?
C021 C00Q C00V C01F 177.2(13) . . . . ?
C021 C00Q C01P C01T 8(2) . . . . ?
C021 C00Q C01P C02C -177.1(13) . . . . ?
C022 C00T C01B C02K -6(2) . . . . ?
C022 C00T C01B C049 175.6(15) . . . . ?
C023 C02U C03L C00P -161.4(13) . . . . ?
C023 C02U C03L C049 16(2) . . . . ?
C024 C02E C02Z C02M 3(2) . . . . ?
C024 C02E C02Z C02P -176.1(13) . . . . ?
C024 C02E C04M C02L 175.8(13) . . . . ?
C024 C02E C04M C02N -6(2) . . . . ?
C025 C01Y C030 C00P -20(2) . . . . ?
C025 C01Y C030 C021 158.9(13) . . . . ?
C027 C01F C02F C03S 175.9(16) . . . . ?
C02A C01J C03Z C01X -5(2) . . . . ?
C02A C01J C03Z C03Q 175.4(14) . . . . ?
C02B C01U C04B C031 7(2) . . . . ?
C02B C02W C041 C03F 27(2) . . . . ?
C02B C02W C041 C03V -148.5(15) . . . . ?
C02C C01P C01T C014 179.3(14) . . . . ?
C02D C01X C03Z C01J 175.4(13) . . . . ?
C02D C01X C03Z C03Q -5(2) . . . . ?
C02D C02Y C03K C03Q -4(2) . . . . ?
C02D C035 C03E C03O -172.6(14) . . . . ?
C02D C035 C03E C04C 0(2) . . . . ?
C02E C024 C03C C020 -2(2) . . . . ?
C02E C024 C051 C043 4(3) . . . . ?
C02F C01F C027 C02C -174.0(14) . . . . ?
C02G C01M C03F N01K -179.8(14) . . . . ?
C02G C01M C03F C041 6(2) . . . . ?
C02G C02B C02W C01N 167.7(14) . . . . ?
C02G C02B C02W C041 -17(2) . . . . ?
C02H C02Y C03K C03Q 175.5(16) . . . . ?
C02I C04O C05I C05G 0(3) . . . . ?
C02J C02U C03L C00P 15(2) . . . . ?
C02J C02U C03L C049 -167.7(13) . . . . ?
C02K C01B C049 C01O -19(2) . . . . ?
C02K C01B C049 C03L 166.7(15) . . . . ?
C02K C02O C03J C022 -7(2) . . . . ?
C02K C04P C04S C01O -6(3) . . . . ?
C02M C043 C051 C024 -7(3) . . . . ?
C02N C020 C03C C024 2(2) . . . . ?
C02O C02K C04P C04S -173.3(15) . . . . ?
C02P C03G C03U C050 -2(2) . . . . ?
C02Q C033 C039 C012 -9(2) . . . . ?
C02R C03V C041 C02W 21(2) . . . . ?
C02R C03V C041 C03F -154.6(14) . . . . ?
C02R C03V C04K C04L -17(2) . . . . ?
C02R C03V C04K C04X 167.2(15) . . . . ?
C02R C045 C04H C04Y -173.4(14) . . . . ?
C02R C045 C04H C05L 3(2) . . . . ?
C02R C045 C04N C04L -7(3) . . . . ?
C02R C045 C04N C05M 179.9(15) . . . . ?
C02S C04D C053 C05K -3(3) . . . . ?
C02T C017 C01L C03X 3(2) . . . . ?
C02T C01Q C01Z C034 -153.6(13) . . . . ?
C02T C01Q C01Z C03X 24.4(17) . . . . ?
C02U C023 C03H C01O -6(3) . . . . ?
C02U C02J C037 C02X -10(2) . . . . ?
C02U C03L C049 C01B 157.5(15) . . . . ?
C02U C03L C049 C01O -17(2) . . . . ?
C02V C013 C05H C02N -4(2) . . . . ?
C02V C02L C034 C01Z 14(2) . . . . ?
C02V C02L C034 C02P -157.1(14) . . . . ?
C02V C02L C04M C02E 173.2(13) . . . . ?
C02V C02L C04M C02N -5.0(19) . . . . ?
C02W C01N C031 C04B -9(2) . . . . ?
C02W C01N C031 C04V 170.5(16) . . . . ?
C02W C01N C057 C028 -166.1(16) . . . . ?
C02W C01N C057 C03W 14(3) . . . . ?
C02W C02B C02G C01M 1(2) . . . . ?
C02X N00C C01H C014 169.2(13) . . . . ?
C02X N00C C01H C021 -10(2) . . . . ?
C02X N00C C03B C03N -85.2(18) . . . . ?
C02X N00C C03B C03T 92.0(18) . . . . ?
C02X C00P C030 C01Y 153.8(12) . . . . ?
C02X C00P C030 C021 -25.1(17) . . . . ?
C02X C00P C03L C02U -27.0(18) . . . . ?
C02X C00P C03L C049 155.7(12) . . . . ?
C02Y C02D C035 C019 -178.4(14) . . . . ?
C02Y C02D C035 C03E 2(2) . . . . ?
C02Y C02H C04C C03E -1(2) . . . . ?
C02Y C03K C03Q C03Z 4(3) . . . . ?
C02Z C02E C04M C02L -7(2) . . . . ?
C02Z C02E C04M C02N 171.0(14) . . . . ?
C02Z C02M C043 C051 9(3) . . . . ?
C02Z C02M C050 C03U 5(2) . . . . ?
C02Z C02P C034 C01Z 165.0(12) . . . . ?
C02Z C02P C034 C02L -23(2) . . . . ?
C02Z C02P C03G N00J 177.0(13) . . . . ?
C02Z C02P C03G C03U 0(2) . . . . ?
C030 C00P C02X N00C 16.5(17) . . . . ?
C030 C00P C02X C037 -157.6(12) . . . . ?
C030 C00P C03L C02U 151.5(14) . . . . ?
C030 C00P C03L C049 -26(2) . . . . ?
C030 C01Y C025 C04G 176.2(13) . . . . ?
C031 C01N C02W C02B 16(2) . . . . ?
C031 C01N C02W C041 -159.0(15) . . . . ?
C031 C01N C057 C028 17(2) . . . . ?
C031 C01N C057 C03W -162.6(16) . . . . ?
C031 C04V C05A C028 9(3) . . . . ?
C032 C05G C05I C04O -1(3) . . . . ?
C033 C02Q C036 C00U 9(2) . . . . ?
C033 C02Q C036 C026 -166.0(14) . . . . ?
C033 C02Q C03D C029 -177.0(15) . . . . ?
C034 C01Z C03X N00J -16.1(19) . . . . ?
C034 C01Z C03X C01L 159.2(13) . . . . ?
C034 C02L C02V C013 -178.9(13) . . . . ?
C034 C02L C04M C02E -6.6(19) . . . . ?
C034 C02L C04M C02N 175.2(13) . . . . ?
C034 C02P C02Z C02E 7(2) . . . . ?
C034 C02P C02Z C02M -171.9(13) . . . . ?
C034 C02P C03G N00J -8(2) . . . . ?
C034 C02P C03G C03U 175.6(14) . . . . ?
C035 C019 C01A C00I -177.8(12) . . . . ?
C035 C019 C01A C03Y -1.8(19) . . . . ?
C035 C02D C02Y C02H -3(2) . . . . ?
C035 C02D C02Y C03K 176.7(14) . . . . ?
C035 C03E C03O C03Y -4(2) . . . . ?
C035 C03E C04C C02H 0(2) . . . . ?
C036 C00U C012 C00I -166.9(13) . . . . ?
C036 C00U C012 C039 17.2(18) . . . . ?
C036 C00U C015 C00N -20(2) . . . . ?
C036 C00U C015 C019 158.0(12) . . . . ?
C036 C026 C04R C029 17(2) . . . . ?
C036 C026 C04R C03M -163.0(15) . . . . ?
C036 C02Q C033 C039 6(2) . . . . ?
C036 C02Q C03D C029 -6(2) . . . . ?
C037 C02J C02U C023 -179.1(15) . . . . ?
C037 C02J C02U C03L 5(2) . . . . ?
C038 C01I C01Q C01Z 23(2) . . . . ?
C038 C01I C01Q C02T -159.2(12) . . . . ?
C038 C042 C047 C03A -4(3) . . . . ?
C038 C042 C04Z C04I 3(3) . . . . ?
C03A C01C C01I C01Q 167.8(13) . . . . ?
C03A C01C C01I C038 -15(2) . . . . ?
C03A C01C C01W C04J 179.0(14) . . . . ?
C03B N00C C01H C014 -4(2) . . . . ?
C03B N00C C01H C021 176.1(13) . . . . ?
C03B N00C C02X C00P 174.0(11) . . . . ?
C03B N00C C02X C037 -12.0(18) . . . . ?
C03B C03N C04E C058 0(3) . . . . ?
C03B C03T C05E C058 -3(3) . . . . ?
C03C C020 C02N C04M -4(2) . . . . ?
C03C C020 C02N C05H 175.9(15) . . . . ?
C03C C024 C02E C02Z -173.6(14) . . . . ?
C03C C024 C02E C04M 4(2) . . . . ?
C03C C024 C051 C043 175.2(17) . . . . ?
C03D C029 C04R C026 -1(2) . . . . ?
C03D C029 C04R C03M 179.3(16) . . . . ?
C03D C02Q C033 C039 177.0(16) . . . . ?
C03D C02Q C036 C00U -162.3(14) . . . . ?
C03D C02Q C036 C026 22(2) . . . . ?
C03E C03O C03Y C01A -2(2) . . . . ?
C03F N01K C04X C044 -169.7(15) . . . . ?
C03F N01K C04X C04K 14(2) . . . . ?
C03F N01K C05D C02S -102(2) . . . . ?
C03F N01K C05D C05C 70(2) . . . . ?
C03F C01M C02G C02B 5(2) . . . . ?
C03G N00J C03R C02I 86.9(18) . . . . ?
C03G N00J C03R C032 -92.7(19) . . . . ?
C03G N00J C03X C01L -179.2(13) . . . . ?
C03G N00J C03X C01Z -3.8(19) . . . . ?
C03G C02P C02Z C02E -176.7(14) . . . . ?
C03G C02P C02Z C02M 4(2) . . . . ?
C03G C02P C034 C01Z -11(2) . . . . ?
C03G C02P C034 C02L 161.7(14) . . . . ?
C03G C03U C050 C02M -1(2) . . . . ?
C03H C01O C049 C01B -168.8(14) . . . . ?
C03H C01O C049 C03L 6(2) . . . . ?
C03H C01O C04S C04P -178.8(16) . . . . ?
C03H C023 C02U C02J 179.7(15) . . . . ?
C03H C023 C02U C03L -4(2) . . . . ?
C03I C018 C01G C00Z -167.8(14) . . . . ?
C03I C018 C01G C026 5(2) . . . . ?
C03I C03M C04R C026 -3(3) . . . . ?
C03I C03M C04R C029 176.3(16) . . . . ?
C03K C03Q C03Z C01J -179.6(15) . . . . ?
C03K C03Q C03Z C01X 1(2) . . . . ?
C03L C00P C02X N00C -164.6(12) . . . . ?
C03L C00P C02X C037 21.3(17) . . . . ?
C03L C00P C030 C01Y -25(2) . . . . ?
C03L C00P C030 C021 156.3(14) . . . . ?
C03N C03B C03T C05E 4(3) . . . . ?
C03N C04E C058 C05E 1(3) . . . . ?
C03O C03E C04C C02H 171.7(15) . . . . ?
C03R N00J C03G C02P -171.8(14) . . . . ?
C03R N00J C03G C03U 5(2) . . . . ?
C03R N00J C03X C01L 7.7(19) . . . . ?
C03R N00J C03X C01Z -176.8(12) . . . . ?
C03R C02I C04O C05I 2(2) . . . . ?
C03R C032 C05G C05I 0(3) . . . . ?
C03S C016 C01E C04G 178.4(15) . . . . ?
C03T C03B C03N C04E -2(3) . . . . ?
C03V C02R C045 C04H 177.5(14) . . . . ?
C03V C02R C045 C04N -2(2) . . . . ?
C03V C02R C055 C040 -178.5(15) . . . . ?
C03V C04K C04L C04N 7(2) . . . . ?
C03V C04K C04L C056 -177.7(15) . . . . ?
C03V C04K C04X N01K -7(2) . . . . ?
C03V C04K C04X C044 177.5(14) . . . . ?
C03X N00J C03G C02P 16(2) . . . . ?
C03X N00J C03G C03U -167.4(13) . . . . ?
C03X N00J C03R C02I -100.3(16) . . . . ?
C03X N00J C03R C032 80.1(18) . . . . ?
C03X C01Z C034 C02L -149.6(13) . . . . ?
C03X C01Z C034 C02P 22.8(19) . . . . ?
C03Z C01J C02A C01R 5(2) . . . . ?
C03Z C01X C02D C02Y 5(2) . . . . ?
C03Z C01X C02D C035 -172.1(13) . . . . ?
C041 C03V C04K C04L 163.1(13) . . . . ?
C041 C03V C04K C04X -13(2) . . . . ?
C042 C038 C04Q C04F 9(2) . . . . ?
C043 C02M C02Z C02E -6(2) . . . . ?
C043 C02M C02Z C02P 172.9(14) . . . . ?
C043 C02M C050 C03U -174.3(16) . . . . ?
C045 C02R C03V C041 -165.3(14) . . . . ?
C045 C02R C03V C04K 14(2) . . . . ?
C045 C02R C055 C040 9(2) . . . . ?
C045 C04H C04Y C054 -8(2) . . . . ?
C045 C04H C05L C040 5(3) . . . . ?
C045 C04N C05M C054 -6(3) . . . . ?
C045 C04N C05M C05N 176.1(16) . . . . ?
C047 C042 C04Z C04I -175.4(18) . . . . ?
C048 N00X C04W C059 2(2) . . . . ?
C049 C01B C02K C02O -173.9(15) . . . . ?
C049 C01B C02K C04P 11(2) . . . . ?
C049 C01O C03H C023 5(2) . . . . ?
C049 C01O C04S C04P -2(3) . . . . ?
C04B C01U C02B C02G -179.5(14) . . . . ?
C04B C01U C02B C02W 0(2) . . . . ?
C04B C031 C04V C05A 179.3(17) . . . . ?
C04C C02H C02Y C02D 2(3) . . . . ?
C04C C02H C02Y C03K -177.3(16) . . . . ?
C04C C03E C03O C03Y -176.4(16) . . . . ?
C04D C02S C05D N01K 176.1(16) . . . . ?
C04D C02S C05D C05C 3(3) . . . . ?
C04D C053 C05K C05C 3(3) . . . . ?
C04E C058 C05E C03T 1(4) . . . . ?
C04F C04I C04Z C042 7(3) . . . . ?
C04H C045 C04N C04L 172.8(16) . . . . ?
C04H C045 C04N C05M 0(2) . . . . ?
C04H C04Y C054 C05M 3(3) . . . . ?
C04I C04F C04Q C038 0(2) . . . . ?
C04K C03V C041 C02W -159.1(15) . . . . ?
C04K C03V C041 C03F 25.7(19) . . . . ?
C04K C04L C04N C045 5(3) . . . . ?
C04K C04L C04N C05M 177.4(16) . . . . ?
C04K C04L C056 C052 176.2(15) . . . . ?
C04K C04L C056 C05J 4(3) . . . . ?
C04L C04K C04X N01K 177.3(14) . . . . ?
C04L C04K C04X C044 1(2) . . . . ?
C04L C04N C05M C054 -178.4(18) . . . . ?
C04L C04N C05M C05N 3(3) . . . . ?
C04L C056 C05J C044 -6(3) . . . . ?
C04M C02E C02Z C02M -173.9(14) . . . . ?
C04M C02E C02Z C02P 7(2) . . . . ?
C04M C02L C02V C013 1(2) . . . . ?
C04M C02L C034 C01Z -165.9(12) . . . . ?
C04M C02L C034 C02P 23(2) . . . . ?
C04M C02N C05H C013 0(2) . . . . ?
C04N C045 C04H C04Y 6(2) . . . . ?
C04N C045 C04H C05L -177.4(16) . . . . ?
C04N C04L C056 C052 -8(3) . . . . ?
C04N C04L C056 C05J 179.2(18) . . . . ?
C04N C05M C05N C052 -2(3) . . . . ?
C04O C02I C03R N00J 176.8(13) . . . . ?
C04O C02I C03R C032 -4(2) . . . . ?
C04P C02K C02O C03J 173.7(15) . . . . ?
C04Q C038 C042 C047 167.1(16) . . . . ?
C04Q C038 C042 C04Z -11(2) . . . . ?
C04Q C04F C04I C04Z -9(3) . . . . ?
C04R C026 C036 C00U 157.4(14) . . . . ?
C04R C026 C036 C02Q -28(2) . . . . ?
C04R C029 C03D C02Q -5(2) . . . . ?
C04S C01O C03H C023 -178.0(16) . . . . ?
C04S C01O C049 C01B 14(2) . . . . ?
C04S C01O C049 C03L -170.7(14) . . . . ?
C04V C031 C04B C01U 178.1(16) . . . . ?
C04W N00X C048 C05F 0(2) . . . . ?
C04X N01K C03F C01M -175.2(14) . . . . ?
C04X N01K C03F C041 -1(2) . . . . ?
C04X N01K C05D C02S 85.7(19) . . . . ?
C04X N01K C05D C05C -102(2) . . . . ?
C04X C044 C05J C056 6(3) . . . . ?
C04X C04K C04L C04N -177.0(16) . . . . ?
C04X C04K C04L C056 -1(2) . . . . ?
C04Y C04H C05L C040 -179.3(15) . . . . ?
C04Y C054 C05M C04N 4(3) . . . . ?
C04Y C054 C05M C05N -177.7(18) . . . . ?
C04Z C042 C047 C03A 173.9(15) . . . . ?
C050 C02M C02Z C02E 174.5(14) . . . . ?
C050 C02M C02Z C02P -6(2) . . . . ?
C050 C02M C043 C051 -172.4(17) . . . . ?
C051 C024 C02E C02Z -2(2) . . . . ?
C051 C024 C02E C04M 175.3(15) . . . . ?
C051 C024 C03C C020 -172.9(16) . . . . ?
C052 C056 C05J C044 -178.5(16) . . . . ?
C054 C05M C05N C052 179(2) . . . . ?
C055 C02R C03V C041 22(2) . . . . ?
C055 C02R C03V C04K -158.2(15) . . . . ?
C055 C02R C045 C04H -10(2) . . . . ?
C055 C02R C045 C04N 170.5(15) . . . . ?
C055 C040 C05L C04H -5(3) . . . . ?
C056 C04L C04N C045 -170.2(17) . . . . ?
C056 C04L C04N C05M 2(3) . . . . ?
C056 C052 C05N C05M -4(3) . . . . ?
C057 C01N C02W C02B -161.1(16) . . . . ?
C057 C01N C02W C041 24(3) . . . . ?
C057 C01N C031 C04B 168.2(15) . . . . ?
C057 C01N C031 C04V -12(2) . . . . ?
C057 C028 C05A C04V -5(3) . . . . ?
C057 C028 C05B C04A 1(3) . . . . ?
C057 C03W C05O C04A 7(3) . . . . ?
C059 C046 C05F C048 0(3) . . . . ?
C05A C028 C057 C01N -9(3) . . . . ?
C05A C028 C057 C03W 170.7(17) . . . . ?
C05A C028 C05B C04A -177(2) . . . . ?
C05B C028 C057 C01N 172.4(17) . . . . ?
C05B C028 C057 C03W -8(3) . . . . ?
C05B C028 C05A C04V 173.8(19) . . . . ?
C05B C04A C05O C03W -14(3) . . . . ?
C05D N01K C03F C01M 13(2) . . . . ?
C05D N01K C03F C041 -172.1(14) . . . . ?
C05D N01K C04X C044 2(2) . . . . ?
C05D N01K C04X C04K -173.7(14) . . . . ?
C05D C02S C04D C053 0(3) . . . . ?
C05D C05C C05K C053 0(3) . . . . ?
C05F C046 C059 C04W 1(3) . . . . ?
C05G C032 C03R N00J -177.8(15) . . . . ?
C05G C032 C03R C02I 3(3) . . . . ?
C05H C013 C02V C02L 3(2) . . . . ?
C05H C02N C04M C02E -173.7(14) . . . . ?
C05H C02N C04M C02L 4(2) . . . . ?
C05J C044 C04X N01K -179.5(15) . . . . ?
C05J C044 C04X C04K -4(2) . . . . ?
C05K C05C C05D N01K -175.7(19) . . . . ?
C05K C05C C05D C02S -3(3) . . . . ?
C05L C040 C055 C02R -2(2) . . . . ?
C05L C04H C04Y C054 176.2(16) . . . . ?
C05N C052 C056 C04L 9(3) . . . . ?
C05N C052 C056 C05J -178(2) . . . . ?
C05O C03W C057 C01N -176.7(17) . . . . ?
C05O C03W C057 C028 4(3) . . . . ?
C05O C04A C05B C028 11(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
