# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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. 
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data_cr10d
_database_code_depnum_ccdc_archive 'CCDC 1456535'
_audit_update_record             
;
2016-02-29 deposited with the CCDC.
2016-05-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_structural     'a tris-benzofuran calixarene'
_chemical_formula_moiety         'C39 H39 Br3 O3, C H Cl3, ca 6(C H4 O)'
_chemical_formula_sum            'C46 H64 Br3 Cl3 O9'
_chemical_formula_weight         1107.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   15.4391(12)
_cell_length_b                   15.4391(12)
_cell_length_c                   31.782(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     6560.8(13)
_cell_formula_units_Z            6
_cell_measurement_temperature    140(1)
_cell_measurement_reflns_used    6100
_cell_measurement_theta_min      3.6752
_cell_measurement_theta_max      24.9987

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_F_000             3408
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_absorpt_coefficient_mu    3.008
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.930
_exptl_absorpt_correction_T_max  1.049
_exptl_absorpt_process_details   
;
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.29.9 
 Empirical absorption correction using spherical harmonics,
  implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      140(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur 3/CCD'
_diffrn_measurement_method       'Thin slice φ and ω scans'
_diffrn_detector_area_resol_mean 16.0050

_diffrn_reflns_number            13024
_diffrn_reflns_av_unetI/netI     0.0647
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         3.983
_diffrn_reflns_theta_max         22.498
_diffrn_reflns_theta_full        22.498
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             1888
_reflns_number_gt                1293
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       
;
 CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.29.9 
;
_computing_cell_refinement       
;
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.29.9 
;
_computing_data_reduction        
;
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.29.9 
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 2012)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 2008) and WINGX (Farrugia, 2012)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0368P)²+104.3402P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1888
_refine_ls_number_parameters     182
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0722
_refine_ls_wR_factor_ref         0.1491
_refine_ls_wR_factor_gt          0.1377
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Br13 Br 0.41199(8) 0.38610(8) 0.57155(3) 0.0671(4) Uani 1 1 d . . . . .
O11 O 0.4194(4) 0.6150(4) 0.50673(17) 0.0475(16) Uani 1 1 d . . . . .
C12 C 0.3781(7) 0.5156(7) 0.5182(3) 0.048(2) Uani 1 1 d . . . . .
C13 C 0.4374(7) 0.5055(6) 0.5461(3) 0.045(2) Uani 1 1 d . . . . .
C14 C 0.6098(7) 0.6401(7) 0.5782(3) 0.058(3) Uani 1 1 d . . . . .
H14 H 0.6209 0.5979 0.5955 0.069 Uiso 1 1 calc R U . . .
C15 C 0.6797(7) 0.7416(7) 0.5762(3) 0.059(3) Uani 1 1 d . . . . .
C16 C 0.6589(7) 0.8007(7) 0.5506(3) 0.056(3) Uani 1 1 d . . . . .
H16 H 0.7056 0.8687 0.5499 0.067 Uiso 1 1 calc R U . . .
C17 C 0.5744(6) 0.7677(7) 0.5258(3) 0.046(2) Uani 1 1 d . . . . .
C18 C 0.5084(6) 0.6657(7) 0.5281(3) 0.046(2) Uani 1 1 d . . . . .
C19 C 0.5227(7) 0.6021(7) 0.5540(3) 0.045(2) Uani 1 1 d . . . . .
C151 C 0.7771(10) 0.7879(9) 0.6006(4) 0.086(4) Uani 1 1 d . . . . .
C152 C 0.7856(10) 0.8722(8) 0.6274(4) 0.105(5) Uani 1 1 d . . . . .
H15A H 0.7786 0.9192 0.6100 0.158 Uiso 1 1 calc R U . . .
H15B H 0.7338 0.8460 0.6483 0.158 Uiso 1 1 calc R U . . .
H15C H 0.8497 0.9052 0.6410 0.158 Uiso 1 1 calc R U . . .
C153 C 0.8665(10) 0.8360(12) 0.5673(5) 0.134(6) Uani 1 1 d . . . . .
H15D H 0.8600 0.8837 0.5502 0.201 Uiso 1 1 calc R U . . .
H15E H 0.9293 0.8689 0.5820 0.201 Uiso 1 1 calc R U . . .
H15F H 0.8640 0.7842 0.5497 0.201 Uiso 1 1 calc R U . . .
C154 C 0.7874(13) 0.7154(9) 0.6265(6) 0.205(11) Uani 1 1 d . . . . .
H15G H 0.7818 0.6621 0.6091 0.307 Uiso 1 1 calc R U . . .
H15H H 0.8515 0.7478 0.6401 0.307 Uiso 1 1 calc R U . . .
H15I H 0.7356 0.6886 0.6475 0.307 Uiso 1 1 calc R U . . .
C121 C 0.2804(6) 0.4433(7) 0.4992(3) 0.050(2) Uani 1 1 d . . . . .
H12A H 0.2784 0.3801 0.4948 0.059 Uiso 1 1 calc R U . . .
H12B H 0.2746 0.4681 0.4720 0.059 Uiso 1 1 calc R U . . .
O31 O 0.300(2) 0.4977(14) 0.6783(6) 0.079(5) Uiso 0.51 1 d . . P . .
C32 C 0.398(8) 0.593(8) 0.626(4) 0.09(3) Uiso 0.13 1 d . . P . .
C33 C 0.347(3) 0.524(2) 0.6504(7) 0.083(6) Uiso 0.68 1 d . . P . .
C34 C 0.211(2) 0.5012(15) 0.6501(8) 0.073(5) Uiso 0.6 1 d . . P . .
C35 C 0.267(2) 0.529(2) 0.6238(10) 0.098(9) Uiso 0.52 1 d . . P . .
C36 C 0.279(3) 0.5014(17) 0.6463(8) 0.068(6) Uiso 0.54 1 d . . P . .
C37 C 0.413(3) 0.568(3) 0.6549(8) 0.079(6) Uiso 0.64 1 d . . P . .
C38 C 0.376(6) 0.655(7) 0.608(2) 0.10(2) Uiso 0.19 1 d . . P . .
C39 C 0.3333 0.6667 0.5976(18) 0.098(17) Uiso 0.51 3 d S . P . .
C2 C 0.3333 0.6667 0.4083(5) 0.052(4) Uani 1 3 d S T P . .
H2 H 0.3333 0.6667 0.4391 0.063 Uiso 1 3 calc R U P . .
Cl2 Cl 0.45407(17) 0.75125(18) 0.39032(8) 0.0614(7) 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
Br13 C13 1.866(9) . ?
O11 C18 1.374(10) . ?
O11 C12 1.384(10) . ?
C12 C13 1.338(12) . ?
C12 C121 1.484(12) . ?
C13 C19 1.435(12) . ?
C14 C15 1.391(13) . ?
C14 C19 1.399(12) . ?
C14 H14 0.9300 . ?
C15 C16 1.375(12) . ?
C15 C151 1.515(14) . ?
C16 C17 1.385(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.385(12) . ?
C17 C121 1.493(12) 2_665 ?
C18 C19 1.381(12) . ?
C151 C154 1.461(16) . ?
C151 C152 1.505(15) . ?
C151 C153 1.599(19) . ?
C152 H15A 0.9600 . ?
C152 H15B 0.9600 . ?
C152 H15C 0.9600 . ?
C153 H15D 0.9600 . ?
C153 H15E 0.9600 . ?
C153 H15F 0.9600 . ?
C154 H15G 0.9600 . ?
C154 H15H 0.9600 . ?
C154 H15I 0.9600 . ?
C121 C17 1.493(12) 3_565 ?
C121 H12A 0.9700 . ?
C121 H12B 0.9700 . ?
O31 C37 0.95(3) 14_456 ?
O31 C34 1.04(2) 15_556 ?
O31 C36 1.08(3) . ?
O31 C33 1.08(2) . ?
O31 C32 1.32(11) 14_456 ?
O31 C34 1.67(2) . ?
O31 C37 1.69(3) . ?
O31 C33 1.81(3) 14_456 ?
O31 C35 1.88(4) 15_556 ?
C32 C37 1.06(11) . ?
C32 C33 1.23(11) . ?
C32 C38 1.30(11) . ?
C32 O31 1.32(11) 15_556 ?
C32 C35 1.76(11) . ?
C32 C36 1.79(11) . ?
C32 C34 1.85(11) 2_665 ?
C32 C34 1.93(12) 15_556 ?
C32 C35 1.93(11) 2_665 ?
C32 C36 2.03(12) 15_556 ?
C33 C37 0.91(3) . ?
C33 C36 0.94(3) . ?
C33 C34 1.12(2) 15_556 ?
C33 C35 1.54(5) . ?
C33 C37 1.78(3) 14_456 ?
C33 O31 1.81(3) 15_556 ?
C33 C36 1.85(3) 15_556 ?
C33 C34 1.94(3) . ?
C34 C37 1.03(3) 14_456 ?
C34 O31 1.04(2) 14_456 ?
C34 C36 1.05(3) . ?
C34 C33 1.12(2) 14_456 ?
C34 C35 1.12(4) . ?
C34 C36 1.76(3) 14_456 ?
C34 C32 1.85(11) 3_565 ?
C34 C37 1.92(3) 3_565 ?
C34 C32 1.93(12) 14_456 ?
C35 C36 0.90(3) . ?
C35 C38 1.47(8) 3_565 ?
C35 C37 1.83(4) 14_456 ?
C35 O31 1.88(4) 14_456 ?
C35 C38 1.89(10) . ?
C35 C32 1.93(11) 3_565 ?
C35 C39 2.02(4) . ?
C36 C37 1.19(3) 14_456 ?
C36 C34 1.76(3) 15_556 ?
C36 C37 1.82(4) . ?
C36 C33 1.85(3) 14_456 ?
C36 C32 2.03(12) 14_456 ?
C37 O31 0.95(3) 15_556 ?
C37 C34 1.03(3) 15_556 ?
C37 C36 1.19(3) 15_556 ?
C37 C33 1.78(3) 15_556 ?
C37 C35 1.83(4) 15_556 ?
C37 C34 1.92(3) 2_665 ?
C38 C39 0.83(7) . ?
C38 C38 1.32(13) 3_565 ?
C38 C38 1.32(13) 2_665 ?
C38 C35 1.47(8) 2_665 ?
C39 C38 0.83(7) 2_665 ?
C39 C38 0.83(7) 3_565 ?
C39 C35 2.02(4) 3_565 ?
C39 C35 2.02(4) 2_665 ?
C2 Cl2 1.753(6) 3_565 ?
C2 Cl2 1.753(6) . ?
C2 Cl2 1.753(6) 2_665 ?
C2 H2 0.9800 . ?

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
C18 O11 C12 106.1(7) . . ?
C13 C12 O11 110.0(8) . . ?
C13 C12 C121 132.7(9) . . ?
O11 C12 C121 117.3(8) . . ?
C12 C13 C19 108.7(8) . . ?
C12 C13 Br13 125.8(7) . . ?
C19 C13 Br13 125.5(7) . . ?
C15 C14 C19 119.3(9) . . ?
C15 C14 H14 120.3 . . ?
C19 C14 H14 120.3 . . ?
C16 C15 C14 117.8(9) . . ?
C16 C15 C151 119.7(10) . . ?
C14 C15 C151 122.4(9) . . ?
C15 C16 C17 125.6(9) . . ?
C15 C16 H16 117.2 . . ?
C17 C16 H16 117.2 . . ?
C16 C17 C18 114.2(8) . . ?
C16 C17 C121 122.3(9) . 2_665 ?
C18 C17 C121 123.5(8) . 2_665 ?
O11 C18 C19 111.0(8) . . ?
O11 C18 C17 125.4(8) . . ?
C19 C18 C17 123.5(8) . . ?
C18 C19 C14 119.4(9) . . ?
C18 C19 C13 104.2(8) . . ?
C14 C19 C13 136.3(9) . . ?
C154 C151 C152 110.4(12) . . ?
C154 C151 C15 112.9(10) . . ?
C152 C151 C15 109.5(10) . . ?
C154 C151 C153 109.2(13) . . ?
C152 C151 C153 106.9(11) . . ?
C15 C151 C153 107.6(10) . . ?
C151 C152 H15A 109.5 . . ?
C151 C152 H15B 109.5 . . ?
H15A C152 H15B 109.5 . . ?
C151 C152 H15C 109.5 . . ?
H15A C152 H15C 109.5 . . ?
H15B C152 H15C 109.5 . . ?
C151 C153 H15D 109.5 . . ?
C151 C153 H15E 109.5 . . ?
H15D C153 H15E 109.5 . . ?
C151 C153 H15F 109.5 . . ?
H15D C153 H15F 109.5 . . ?
H15E C153 H15F 109.5 . . ?
C151 C154 H15G 109.5 . . ?
C151 C154 H15H 109.5 . . ?
H15G C154 H15H 109.5 . . ?
C151 C154 H15I 109.5 . . ?
H15G C154 H15I 109.5 . . ?
H15H C154 H15I 109.5 . . ?
C12 C121 C17 113.1(7) . 3_565 ?
C12 C121 H12A 109.0 . . ?
C17 C121 H12A 109.0 3_565 . ?
C12 C121 H12B 109.0 . . ?
C17 C121 H12B 109.0 3_565 . ?
H12A C121 H12B 107.8 . . ?
C37 O31 C34 149(3) 14_456 15_556 ?
C37 O31 C36 71(2) 14_456 . ?
C34 O31 C36 112(2) 15_556 . ?
C37 O31 C33 121(3) 14_456 . ?
C34 O31 C33 63.7(18) 15_556 . ?
C36 O31 C33 51.3(16) . . ?
C37 O31 C32 53(5) 14_456 14_456 ?
C34 O31 C32 103(5) 15_556 14_456 ?
C36 O31 C32 115(5) . 14_456 ?
C33 O31 C32 141(5) . 14_456 ?
C37 O31 C34 34.0(16) 14_456 . ?
C34 O31 C34 136(2) 15_556 . ?
C36 O31 C34 37.9(16) . . ?
C33 O31 C34 87.3(18) . . ?
C32 O31 C34 79(5) 14_456 . ?
C37 O31 C37 141(2) 14_456 . ?
C34 O31 C37 34.7(14) 15_556 . ?
C36 O31 C37 78.4(19) . . ?
C33 O31 C37 29.0(16) . . ?
C32 O31 C37 127(5) 14_456 . ?
C34 O31 C37 110.3(15) . . ?
C37 O31 C33 14.0(16) 14_456 14_456 ?
C34 O31 C33 135.2(19) 15_556 14_456 ?
C36 O31 C33 74.9(18) . 14_456 ?
C33 O31 C33 121(2) . 14_456 ?
C32 O31 C33 43(5) 14_456 14_456 ?
C34 O31 C33 37.2(8) . 14_456 ?
C37 O31 C33 133.4(14) . 14_456 ?
C37 O31 C35 122(2) 14_456 15_556 ?
C34 O31 C35 30.9(17) 15_556 15_556 ?
C36 O31 C35 127.6(19) . 15_556 ?
C33 O31 C35 90(2) . 15_556 ?
C32 O31 C35 72(5) 14_456 15_556 ?
C34 O31 C35 129.0(14) . 15_556 ?
C37 O31 C35 61.5(13) . 15_556 ?
C33 O31 C35 108.6(16) 14_456 15_556 ?
C37 C32 C33 46(5) . . ?
C37 C32 C38 146(10) . . ?
C33 C32 C38 128(10) . . ?
C37 C32 O31 46(5) . 15_556 ?
C33 C32 O31 90(8) . 15_556 ?
C38 C32 O31 115(9) . 15_556 ?
C37 C32 C35 103(8) . . ?
C33 C32 C35 59(5) . . ?
C38 C32 C35 74(7) . . ?
O31 C32 C35 138(8) 15_556 . ?
C37 C32 C36 74(6) . . ?
C33 C32 C36 29(3) . . ?
C38 C32 C36 101(8) . . ?
O31 C32 C36 114(8) 15_556 . ?
C35 C32 C36 29(2) . . ?
C37 C32 C34 77(6) . 2_665 ?
C33 C32 C34 117(8) . 2_665 ?
C38 C32 C34 82(7) . 2_665 ?
O31 C32 C34 33(3) 15_556 2_665 ?
C35 C32 C34 137(6) . 2_665 ?
C36 C32 C34 131(6) . 2_665 ?
C37 C32 C34 22(3) . 15_556 ?
C33 C32 C34 33(3) . 15_556 ?
C38 C32 C34 130(8) . 15_556 ?
O31 C32 C34 58(5) 15_556 15_556 ?
C35 C32 C34 84(5) . 15_556 ?
C36 C32 C34 56(4) . 15_556 ?
C34 C32 C34 84(5) 2_665 15_556 ?
C37 C32 C35 111(8) . 2_665 ?
C33 C32 C35 141(8) . 2_665 ?
C38 C32 C35 50(5) . 2_665 ?
O31 C32 C35 67(5) 15_556 2_665 ?
C35 C32 C35 119(6) . 2_665 ?
C36 C32 C35 135(6) . 2_665 ?
C34 C32 C35 34(2) 2_665 2_665 ?
C34 C32 C35 112(5) 15_556 2_665 ?
C37 C32 C36 27(4) . 15_556 ?
C33 C32 C36 64(5) . 15_556 ?
C38 C32 C36 121(7) . 15_556 ?
O31 C32 C36 29(3) 15_556 15_556 ?
C35 C32 C36 110(6) . 15_556 ?
C36 C32 C36 85(5) . 15_556 ?
C34 C32 C36 54(3) 2_665 15_556 ?
C34 C32 C36 30.7(19) 15_556 15_556 ?
C35 C32 C36 85(5) 2_665 15_556 ?
C37 C33 C36 159(3) . . ?
C37 C33 O31 116(3) . . ?
C36 C33 O31 64(2) . . ?
C37 C33 C34 60(2) . 15_556 ?
C36 C33 C34 117(3) . 15_556 ?
O31 C33 C34 56.3(17) . 15_556 ?
C37 C33 C32 57(5) . . ?
C36 C33 C32 110(6) . . ?
O31 C33 C32 149(5) . . ?
C34 C33 C32 110(6) 15_556 . ?
C37 C33 C35 133(3) . . ?
C36 C33 C35 33(2) . . ?
O31 C33 C35 94(3) . . ?
C34 C33 C35 137(2) 15_556 . ?
C32 C33 C35 78(6) . . ?
C37 C33 C37 135(2) . 14_456 ?
C36 C33 C37 38(2) . 14_456 ?
O31 C33 C37 27.3(15) . 14_456 ?
C34 C33 C37 79.7(18) 15_556 14_456 ?
C32 C33 C37 134(5) . 14_456 ?
C35 C33 C37 66.7(18) . 14_456 ?
C37 C33 O31 14.6(17) . 15_556 ?
C36 C33 O31 144(2) . 15_556 ?
O31 C33 O31 118(2) . 15_556 ?
C34 C33 O31 64.5(17) 15_556 15_556 ?
C32 C33 O31 47(5) . 15_556 ?
C35 C33 O31 119.2(18) . 15_556 ?
C37 C33 O31 130.8(16) 14_456 15_556 ?
C37 C33 C36 32.8(18) . 15_556 ?
C36 C33 C36 135(3) . 15_556 ?
O31 C33 C36 84(2) . 15_556 ?
C34 C33 C36 30.4(17) 15_556 15_556 ?
C32 C33 C36 80(5) . 15_556 ?
C35 C33 C36 133.4(17) . 15_556 ?
C37 C33 C36 102.8(16) 14_456 15_556 ?
O31 C33 C36 34.3(8) 15_556 15_556 ?
C37 C33 C34 147(2) . . ?
C36 C33 C34 12.6(17) . . ?
O31 C33 C34 59.0(16) . . ?
C34 C33 C34 108(2) 15_556 . ?
C32 C33 C34 109(6) . . ?
C35 C33 C34 35.1(16) . . ?
C37 C33 C34 31.6(8) 14_456 . ?
O31 C33 C34 134.2(13) 15_556 . ?
C36 C33 C34 122.7(16) 15_556 . ?
C37 C34 O31 110(3) 14_456 14_456 ?
C37 C34 C36 70(2) 14_456 . ?
O31 C34 C36 157(3) 14_456 . ?
C37 C34 C33 50.2(18) 14_456 14_456 ?
O31 C34 C33 60.0(18) 14_456 14_456 ?
C36 C34 C33 117(3) . 14_456 ?
C37 C34 C35 117(3) 14_456 . ?
O31 C34 C35 121(3) 14_456 . ?
C36 C34 C35 49(2) . . ?
C33 C34 C35 149(3) 14_456 . ?
C37 C34 O31 31.3(16) 14_456 . ?
O31 C34 O31 134(2) 14_456 . ?
C36 C34 O31 39.1(16) . . ?
C33 C34 O31 78.3(19) 14_456 . ?
C35 C34 O31 86(2) . . ?
C37 C34 C36 76(2) 14_456 14_456 ?
O31 C34 C36 34.7(13) 14_456 14_456 ?
C36 C34 C36 134(2) . 14_456 ?
C33 C34 C36 28.2(15) 14_456 14_456 ?
C35 C34 C36 136(2) . 14_456 ?
O31 C34 C36 100.1(16) . 14_456 ?
C37 C34 C32 137(4) 14_456 3_565 ?
O31 C34 C32 44(4) 14_456 3_565 ?
C36 C34 C32 120(4) . 3_565 ?
C33 C34 C32 96(4) 14_456 3_565 ?
C35 C34 C32 77(4) . 3_565 ?
O31 C34 C32 135(4) . 3_565 ?
C36 C34 C32 68(4) 14_456 3_565 ?
C37 C34 C37 113(2) 14_456 3_565 ?
O31 C34 C37 14.7(13) 14_456 3_565 ?
C36 C34 C37 143(2) . 3_565 ?
C33 C34 C37 65.4(16) 14_456 3_565 ?
C35 C34 C37 109(2) . 3_565 ?
O31 C34 C37 130.4(17) . 3_565 ?
C36 C34 C37 37.4(9) 14_456 3_565 ?
C32 C34 C37 33(4) 3_565 3_565 ?
C37 C34 C32 23(3) 14_456 14_456 ?
O31 C34 C32 93(4) 14_456 14_456 ?
C36 C34 C32 80(4) . 14_456 ?
C33 C34 C32 37(3) 14_456 14_456 ?
C35 C34 C32 119(4) . 14_456 ?
O31 C34 C32 42(3) . 14_456 ?
C36 C34 C32 58(3) 14_456 14_456 ?
C32 C34 C32 114(6) 3_565 14_456 ?
C37 C34 C32 92(3) 3_565 14_456 ?
C37 C34 C33 65.1(19) 14_456 . ?
O31 C34 C33 147(2) 14_456 . ?
C36 C34 C33 11.2(15) . . ?
C33 C34 C33 109(2) 14_456 . ?
C35 C34 C33 52(2) . . ?
O31 C34 C33 33.7(8) . . ?
C36 C34 C33 122.8(17) 14_456 . ?
C32 C34 C33 116(4) 3_565 . ?
C37 C34 C33 134.1(14) 3_565 . ?
C32 C34 C33 72(3) 14_456 . ?
C36 C35 C34 62(3) . . ?
C36 C35 C38 142(4) . 3_565 ?
C34 C35 C38 109(4) . 3_565 ?
C36 C35 C33 34(2) . . ?
C34 C35 C33 93(3) . . ?
C38 C35 C33 122(4) 3_565 . ?
C36 C35 C32 77(5) . . ?
C34 C35 C32 129(5) . . ?
C38 C35 C32 85(6) 3_565 . ?
C33 C35 C32 43(4) . . ?
C36 C35 C37 33(2) . 14_456 ?
C34 C35 C37 29.9(16) . 14_456 ?
C38 C35 C37 123(4) 3_565 14_456 ?
C33 C35 C37 62.9(16) . 14_456 ?
C32 C35 C37 101(4) . 14_456 ?
C36 C35 O31 88(3) . 14_456 ?
C34 C35 O31 28.4(16) . 14_456 ?
C38 C35 O31 82(4) 3_565 14_456 ?
C33 C35 O31 114(2) . 14_456 ?
C32 C35 O31 135(4) . 14_456 ?
C37 C35 O31 54.3(14) 14_456 14_456 ?
C36 C35 C38 114(4) . . ?
C34 C35 C38 135(3) . . ?
C38 C35 C38 44(6) 3_565 . ?
C33 C35 C38 82(3) . . ?
C32 C35 C38 41(4) . . ?
C37 C35 C38 123(3) 14_456 . ?
O31 C35 C38 117(3) 14_456 . ?
C36 C35 C32 124(5) . 3_565 ?
C34 C35 C32 69(4) . 3_565 ?
C38 C35 C32 42(4) 3_565 3_565 ?
C33 C35 C32 136(4) . 3_565 ?
C32 C35 C32 120(6) . 3_565 ?
C37 C35 C32 92(4) 14_456 3_565 ?
O31 C35 C32 41(4) 14_456 3_565 ?
C38 C35 C32 84(5) . 3_565 ?
C36 C35 C39 135(3) . . ?
C34 C35 C39 127(3) . . ?
C38 C35 C39 21(3) 3_565 . ?
C33 C35 C39 106(2) . . ?
C32 C35 C39 66(4) . . ?
C37 C35 C39 132(2) 14_456 . ?
O31 C35 C39 101.2(18) 14_456 . ?
C38 C35 C39 24(2) . . ?
C32 C35 C39 63(4) 3_565 . ?
C35 C36 C33 114(4) . . ?
C35 C36 C34 69(4) . . ?
C33 C36 C34 156(3) . . ?
C35 C36 O31 157(3) . . ?
C33 C36 O31 64(2) . . ?
C34 C36 O31 103(3) . . ?
C35 C36 C37 122(4) . 14_456 ?
C33 C36 C37 113(3) . 14_456 ?
C34 C36 C37 54.1(18) . 14_456 ?
O31 C36 C37 49.4(17) . 14_456 ?
C35 C36 C34 134(3) . 15_556 ?
C33 C36 C34 34.4(18) . 15_556 ?
C34 C36 C34 126(2) . 15_556 ?
O31 C36 C34 33.1(14) . 15_556 ?
C37 C36 C34 78.7(19) 14_456 15_556 ?
C35 C36 C32 74(5) . . ?
C33 C36 C32 40(4) . . ?
C34 C36 C32 132(4) . . ?
O31 C36 C32 99(5) . . ?
C37 C36 C32 136(4) 14_456 . ?
C34 C36 C32 66(4) 15_556 . ?
C35 C36 C37 108(3) . . ?
C33 C36 C37 10.6(17) . . ?
C34 C36 C37 147(2) . . ?
O31 C36 C37 65.9(18) . . ?
C37 C36 C37 111(2) 14_456 . ?
C34 C36 C37 33.3(9) 15_556 . ?
C32 C36 C37 34(4) . . ?
C35 C36 C33 97(3) . 14_456 ?
C33 C36 C33 128(3) . 14_456 ?
C34 C36 C33 32.6(16) . 14_456 ?
O31 C36 C33 70.8(18) . 14_456 ?
C37 C36 C33 24.6(14) 14_456 14_456 ?
C34 C36 C33 94.5(15) 15_556 14_456 ?
C32 C36 C33 132(3) . 14_456 ?
C37 C36 C33 122.7(17) . 14_456 ?
C35 C36 C32 125(4) . 14_456 ?
C33 C36 C32 92(4) . 14_456 ?
C34 C36 C32 69(3) . 14_456 ?
O31 C36 C32 36(3) . 14_456 ?
C37 C36 C32 24(3) 14_456 14_456 ?
C34 C36 C32 58(3) 15_556 14_456 ?
C32 C36 C32 112(5) . 14_456 ?
C37 C36 C32 89(3) . 14_456 ?
C33 C36 C32 37(3) 14_456 14_456 ?
C33 C37 O31 151(3) . 15_556 ?
C33 C37 C34 70(2) . 15_556 ?
O31 C37 C34 115(3) 15_556 15_556 ?
C33 C37 C32 77(6) . . ?
O31 C37 C32 82(6) 15_556 . ?
C34 C37 C32 134(6) 15_556 . ?
C33 C37 C36 123(3) . 15_556 ?
O31 C37 C36 59.3(19) 15_556 15_556 ?
C34 C37 C36 56(2) 15_556 15_556 ?
C32 C37 C36 128(6) . 15_556 ?
C33 C37 O31 35.1(17) . . ?
O31 C37 O31 141(2) 15_556 . ?
C34 C37 O31 35.1(16) 15_556 . ?
C32 C37 O31 106(6) . . ?
C36 C37 O31 89(2) 15_556 . ?
C33 C37 C33 139(3) . 15_556 ?
O31 C37 C33 31.4(14) 15_556 15_556 ?
C34 C37 C33 83(2) 15_556 15_556 ?
C32 C37 C33 103(6) . 15_556 ?
C36 C37 C33 29.1(15) 15_556 15_556 ?
O31 C37 C33 111.9(16) . 15_556 ?
C33 C37 C36 10.9(17) . . ?
O31 C37 C36 141(2) 15_556 . ?
C34 C37 C36 70(2) 15_556 . ?
C32 C37 C36 71(6) . . ?
C36 C37 C36 118(2) 15_556 . ?
O31 C37 C36 35.6(9) . . ?
C33 C37 C36 129.8(16) 15_556 . ?
C33 C37 C35 98(3) . 15_556 ?
O31 C37 C35 82(2) 15_556 15_556 ?
C34 C37 C35 32.9(18) 15_556 15_556 ?
C32 C37 C35 131(6) . 15_556 ?
C36 C37 C35 24.7(19) 15_556 15_556 ?
O31 C37 C35 64.2(15) . 15_556 ?
C33 C37 C35 50.4(17) 15_556 15_556 ?
C36 C37 C35 94.3(17) . 15_556 ?
C33 C37 C34 135(2) . 2_665 ?
O31 C37 C34 16.1(14) 15_556 2_665 ?
C34 C37 C34 114(2) 15_556 2_665 ?
C32 C37 C34 70(6) . 2_665 ?
C36 C37 C34 63.9(17) 15_556 2_665 ?
O31 C37 C34 131.6(16) . 2_665 ?
C33 C37 C34 35.0(8) 15_556 2_665 ?
C36 C37 C34 124.8(15) . 2_665 ?
C35 C37 C34 82.3(17) 15_556 2_665 ?
C39 C38 C32 150(10) . . ?
C39 C38 C38 38(4) . 3_565 ?
C32 C38 C38 114(10) . 3_565 ?
C39 C38 C38 38(4) . 2_665 ?
C32 C38 C38 154(6) . 2_665 ?
C38 C38 C38 60.00(3) 3_565 2_665 ?
C39 C38 C35 120(9) . 2_665 ?
C32 C38 C35 88(7) . 2_665 ?
C38 C38 C35 140(7) 3_565 2_665 ?
C38 C38 C35 85(8) 2_665 2_665 ?
C39 C38 C35 87(6) . . ?
C32 C38 C35 64(6) . . ?
C38 C38 C35 51(6) 3_565 . ?
C38 C38 C35 109(6) 2_665 . ?
C35 C38 C35 143(5) 2_665 . ?
C38 C39 C38 104(9) . 2_665 ?
C38 C39 C38 104(9) . 3_565 ?
C38 C39 C38 104(9) 2_665 3_565 ?
C38 C39 C35 69(6) . . ?
C38 C39 C35 129(8) 2_665 . ?
C38 C39 C35 39(6) 3_565 . ?
C38 C39 C35 129(8) . 3_565 ?
C38 C39 C35 39(6) 2_665 3_565 ?
C38 C39 C35 69(6) 3_565 3_565 ?
C35 C39 C35 104.3(19) . 3_565 ?
C38 C39 C35 39(6) . 2_665 ?
C38 C39 C35 69(6) 2_665 2_665 ?
C38 C39 C35 129(8) 3_565 2_665 ?
C35 C39 C35 104.3(19) . 2_665 ?
C35 C39 C35 104.3(19) 3_565 2_665 ?
Cl2 C2 Cl2 109.9(5) 3_565 . ?
Cl2 C2 Cl2 109.9(5) 3_565 2_665 ?
Cl2 C2 Cl2 109.9(5) . 2_665 ?
Cl2 C2 H2 109.0 3_565 . ?
Cl2 C2 H2 109.0 . . ?
Cl2 C2 H2 109.0 2_665 . ?

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
C18 O11 C12 C13 1.4(9) . . . . ?
C18 O11 C12 C121 -179.8(7) . . . . ?
O11 C12 C13 C19 0.0(10) . . . . ?
C121 C12 C13 C19 -178.5(9) . . . . ?
O11 C12 C13 Br13 178.6(6) . . . . ?
C121 C12 C13 Br13 0.1(15) . . . . ?
C19 C14 C15 C16 0.8(14) . . . . ?
C19 C14 C15 C151 -178.3(10) . . . . ?
C14 C15 C16 C17 -1.0(15) . . . . ?
C151 C15 C16 C17 178.2(10) . . . . ?
C15 C16 C17 C18 -0.5(14) . . . . ?
C15 C16 C17 C121 179.2(9) . . . 2_665 ?
C12 O11 C18 C19 -2.3(9) . . . . ?
C12 O11 C18 C17 180.0(8) . . . . ?
C16 C17 C18 O11 179.8(8) . . . . ?
C121 C17 C18 O11 0.1(14) 2_665 . . . ?
C16 C17 C18 C19 2.4(13) . . . . ?
C121 C17 C18 C19 -177.3(8) 2_665 . . . ?
O11 C18 C19 C14 179.7(7) . . . . ?
C17 C18 C19 C14 -2.6(14) . . . . ?
O11 C18 C19 C13 2.3(9) . . . . ?
C17 C18 C19 C13 -180.0(8) . . . . ?
C15 C14 C19 C18 0.9(13) . . . . ?
C15 C14 C19 C13 177.2(10) . . . . ?
C12 C13 C19 C18 -1.4(10) . . . . ?
Br13 C13 C19 C18 -180.0(6) . . . . ?
C12 C13 C19 C14 -178.1(10) . . . . ?
Br13 C13 C19 C14 3.3(15) . . . . ?
C16 C15 C151 C154 179.6(13) . . . . ?
C14 C15 C151 C154 -1.3(18) . . . . ?
C16 C15 C151 C152 56.1(15) . . . . ?
C14 C15 C151 C152 -124.7(11) . . . . ?
C16 C15 C151 C153 -59.8(13) . . . . ?
C14 C15 C151 C153 119.4(12) . . . . ?
C13 C12 C121 C17 85.3(12) . . . 3_565 ?
O11 C12 C121 C17 -93.2(9) . . . 3_565 ?
C37 O31 C33 C37 142(4) 14_456 . . . ?
C34 O31 C33 C37 -3(3) 15_556 . . . ?
C36 O31 C33 C37 156(4) . . . . ?
C32 O31 C33 C37 74(9) 14_456 . . . ?
C34 O31 C33 C37 143(3) . . . . ?
C33 O31 C33 C37 126(2) 14_456 . . . ?
C35 O31 C33 C37 14(3) 15_556 . . . ?
C37 O31 C33 C36 -14(3) 14_456 . . . ?
C34 O31 C33 C36 -159(3) 15_556 . . . ?
C32 O31 C33 C36 -82(9) 14_456 . . . ?
C34 O31 C33 C36 -13(2) . . . . ?
C37 O31 C33 C36 -156(4) . . . . ?
C33 O31 C33 C36 -31(3) 14_456 . . . ?
C35 O31 C33 C36 -142(2) 15_556 . . . ?
C37 O31 C33 C34 145(3) 14_456 . . 15_556 ?
C36 O31 C33 C34 159(3) . . . 15_556 ?
C32 O31 C33 C34 77(9) 14_456 . . 15_556 ?
C34 O31 C33 C34 146(2) . . . 15_556 ?
C37 O31 C33 C34 3(3) . . . 15_556 ?
C33 O31 C33 C34 129(2) 14_456 . . 15_556 ?
C35 O31 C33 C34 17.4(17) 15_556 . . 15_556 ?
C37 O31 C33 C32 73(12) 14_456 . . . ?
C34 O31 C33 C32 -72(12) 15_556 . . . ?
C36 O31 C33 C32 88(12) . . . . ?
C32 O31 C33 C32 5(17) 14_456 . . . ?
C34 O31 C33 C32 75(12) . . . . ?
C37 O31 C33 C32 -69(12) . . . . ?
C33 O31 C33 C32 57(12) 14_456 . . . ?
C35 O31 C33 C32 -54(12) 15_556 . . . ?
C37 O31 C33 C35 -1(3) 14_456 . . . ?
C34 O31 C33 C35 -146(2) 15_556 . . . ?
C36 O31 C33 C35 14(2) . . . . ?
C32 O31 C33 C35 -69(9) 14_456 . . . ?
C34 O31 C33 C35 0.6(16) . . . . ?
C37 O31 C33 C35 -143(3) . . . . ?
C33 O31 C33 C35 -17(2) 14_456 . . . ?
C35 O31 C33 C35 -128(2) 15_556 . . . ?
C34 O31 C33 C37 -145(3) 15_556 . . 14_456 ?
C36 O31 C33 C37 14(3) . . . 14_456 ?
C32 O31 C33 C37 -68(8) 14_456 . . 14_456 ?
C34 O31 C33 C37 1(2) . . . 14_456 ?
C37 O31 C33 C37 -142(4) . . . 14_456 ?
C33 O31 C33 C37 -16.3(18) 14_456 . . 14_456 ?
C35 O31 C33 C37 -128(3) 15_556 . . 14_456 ?
C37 O31 C33 O31 126(2) 14_456 . . 15_556 ?
C34 O31 C33 O31 -20(2) 15_556 . . 15_556 ?
C36 O31 C33 O31 140(3) . . . 15_556 ?
C32 O31 C33 O31 58(9) 14_456 . . 15_556 ?
C34 O31 C33 O31 126.9(16) . . . 15_556 ?
C37 O31 C33 O31 -16.3(18) . . . 15_556 ?
C33 O31 C33 O31 109.3(12) 14_456 . . 15_556 ?
C35 O31 C33 O31 -2(2) 15_556 . . 15_556 ?
C37 O31 C33 C36 133(3) 14_456 . . 15_556 ?
C34 O31 C33 C36 -12.6(15) 15_556 . . 15_556 ?
C36 O31 C33 C36 147(3) . . . 15_556 ?
C32 O31 C33 C36 65(9) 14_456 . . 15_556 ?
C34 O31 C33 C36 133.8(13) . . . 15_556 ?
C37 O31 C33 C36 -9(2) . . . 15_556 ?
C33 O31 C33 C36 116.2(15) 14_456 . . 15_556 ?
C35 O31 C33 C36 4.8(15) 15_556 . . 15_556 ?
C37 O31 C33 C34 -1(2) 14_456 . . . ?
C34 O31 C33 C34 -146(2) 15_556 . . . ?
C36 O31 C33 C34 13(2) . . . . ?
C32 O31 C33 C34 -69(9) 14_456 . . . ?
C37 O31 C33 C34 -143(3) . . . . ?
C33 O31 C33 C34 -17.6(14) 14_456 . . . ?
C35 O31 C33 C34 -129.1(14) 15_556 . . . ?
C38 C32 C33 C37 -136(13) . . . . ?
O31 C32 C33 C37 -14(3) 15_556 . . . ?
C35 C32 C33 C37 -165(5) . . . . ?
C36 C32 C33 C37 -160(4) . . . . ?
C34 C32 C33 C37 -34(5) 2_665 . . . ?
C34 C32 C33 C37 -29(5) 15_556 . . . ?
C35 C32 C33 C37 -66(12) 2_665 . . . ?
C36 C32 C33 C37 -26(3) 15_556 . . . ?
C37 C32 C33 C36 160(4) . . . . ?
C38 C32 C33 C36 25(13) . . . . ?
O31 C32 C33 C36 147(4) 15_556 . . . ?
C35 C32 C33 C36 -4(4) . . . . ?
C34 C32 C33 C36 127(6) 2_665 . . . ?
C34 C32 C33 C36 131(5) 15_556 . . . ?
C35 C32 C33 C36 94(13) 2_665 . . . ?
C36 C32 C33 C36 134(3) 15_556 . . . ?
C37 C32 C33 O31 86(12) . . . . ?
C38 C32 C33 O31 -49(20) . . . . ?
O31 C32 C33 O31 73(13) 15_556 . . . ?
C35 C32 C33 O31 -78(11) . . . . ?
C36 C32 C33 O31 -74(10) . . . . ?
C34 C32 C33 O31 53(15) 2_665 . . . ?
C34 C32 C33 O31 57(10) 15_556 . . . ?
C35 C32 C33 O31 20(23) 2_665 . . . ?
C36 C32 C33 O31 60(11) 15_556 . . . ?
C37 C32 C33 C34 29(5) . . . 15_556 ?
C38 C32 C33 C34 -107(11) . . . 15_556 ?
O31 C32 C33 C34 16(7) 15_556 . . 15_556 ?
C35 C32 C33 C34 -136(3) . . . 15_556 ?
C36 C32 C33 C34 -131(5) . . . 15_556 ?
C34 C32 C33 C34 -5(8) 2_665 . . 15_556 ?
C35 C32 C33 C34 -37(14) 2_665 . . 15_556 ?
C36 C32 C33 C34 3(3) 15_556 . . 15_556 ?
C37 C32 C33 C35 165(5) . . . . ?
C38 C32 C33 C35 29(11) . . . . ?
O31 C32 C33 C35 151(5) 15_556 . . . ?
C36 C32 C33 C35 4(4) . . . . ?
C34 C32 C33 C35 131(7) 2_665 . . . ?
C34 C32 C33 C35 136(3) 15_556 . . . ?
C35 C32 C33 C35 99(13) 2_665 . . . ?
C36 C32 C33 C35 139(2) 15_556 . . . ?
C37 C32 C33 C37 124(6) . . . 14_456 ?
C38 C32 C33 C37 -12(16) . . . 14_456 ?
O31 C32 C33 C37 110(6) 15_556 . . 14_456 ?
C35 C32 C33 C37 -41(6) . . . 14_456 ?
C36 C32 C33 C37 -37(4) . . . 14_456 ?
C34 C32 C33 C37 90(9) 2_665 . . 14_456 ?
C34 C32 C33 C37 95(6) 15_556 . . 14_456 ?
C35 C32 C33 C37 58(16) 2_665 . . 14_456 ?
C36 C32 C33 C37 98(6) 15_556 . . 14_456 ?
C37 C32 C33 O31 14(3) . . . 15_556 ?
C38 C32 C33 O31 -122(14) . . . 15_556 ?
C35 C32 C33 O31 -151(5) . . . 15_556 ?
C36 C32 C33 O31 -147(4) . . . 15_556 ?
C34 C32 C33 O31 -20(3) 2_665 . . 15_556 ?
C34 C32 C33 O31 -16(7) 15_556 . . 15_556 ?
C35 C32 C33 O31 -52(11) 2_665 . . 15_556 ?
C36 C32 C33 O31 -12(4) 15_556 . . 15_556 ?
C37 C32 C33 C36 26(3) . . . 15_556 ?
C38 C32 C33 C36 -110(11) . . . 15_556 ?
O31 C32 C33 C36 12(4) 15_556 . . 15_556 ?
C35 C32 C33 C36 -139(2) . . . 15_556 ?
C36 C32 C33 C36 -134(3) . . . 15_556 ?
C34 C32 C33 C36 -8(6) 2_665 . . 15_556 ?
C34 C32 C33 C36 -3(3) 15_556 . . 15_556 ?
C35 C32 C33 C36 -40(12) 2_665 . . 15_556 ?
C37 C32 C33 C34 147(3) . . . . ?
C38 C32 C33 C34 11(13) . . . . ?
O31 C32 C33 C34 134(4) 15_556 . . . ?
C35 C32 C33 C34 -18(3) . . . . ?
C36 C32 C33 C34 -13.2(19) . . . . ?
C34 C32 C33 C34 113(6) 2_665 . . . ?
C34 C32 C33 C34 118(4) 15_556 . . . ?
C35 C32 C33 C34 81(13) 2_665 . . . ?
C36 C32 C33 C34 121(2) 15_556 . . . ?
C34 O31 C34 C37 -132(4) 15_556 . . 14_456 ?
C36 O31 C34 C37 165(4) . . . 14_456 ?
C33 O31 C34 C37 -178(3) . . . 14_456 ?
C32 O31 C34 C37 -35(5) 14_456 . . 14_456 ?
C37 O31 C34 C37 -160(3) . . . 14_456 ?
C33 O31 C34 C37 -24(3) 14_456 . . 14_456 ?
C35 O31 C34 C37 -91(3) 15_556 . . 14_456 ?
C37 O31 C34 O31 47(4) 14_456 . . 14_456 ?
C34 O31 C34 O31 -85.1(19) 15_556 . . 14_456 ?
C36 O31 C34 O31 -148(4) . . . 14_456 ?
C33 O31 C34 O31 -131(3) . . . 14_456 ?
C32 O31 C34 O31 12(5) 14_456 . . 14_456 ?
C37 O31 C34 O31 -113(3) . . . 14_456 ?
C33 O31 C34 O31 23(2) 14_456 . . 14_456 ?
C35 O31 C34 O31 -44(4) 15_556 . . 14_456 ?
C37 O31 C34 C36 -165(4) 14_456 . . . ?
C34 O31 C34 C36 63(4) 15_556 . . . ?
C33 O31 C34 C36 17(3) . . . . ?
C32 O31 C34 C36 160(5) 14_456 . . . ?
C37 O31 C34 C36 35(2) . . . . ?
C33 O31 C34 C36 171(3) 14_456 . . . ?
C35 O31 C34 C36 104(3) 15_556 . . . ?
C37 O31 C34 C33 24(3) 14_456 . . 14_456 ?
C34 O31 C34 C33 -108(3) 15_556 . . 14_456 ?
C36 O31 C34 C33 -171(3) . . . 14_456 ?
C33 O31 C34 C33 -154(2) . . . 14_456 ?
C32 O31 C34 C33 -11(5) 14_456 . . 14_456 ?
C37 O31 C34 C33 -136.4(17) . . . 14_456 ?
C35 O31 C34 C33 -67(3) 15_556 . . 14_456 ?
C37 O31 C34 C35 177(4) 14_456 . . . ?
C34 O31 C34 C35 45(4) 15_556 . . . ?
C36 O31 C34 C35 -17(3) . . . . ?
C33 O31 C34 C35 -1(2) . . . . ?
C32 O31 C34 C35 142(5) 14_456 . . . ?
C37 O31 C34 C35 17(2) . . . . ?
C33 O31 C34 C35 154(3) 14_456 . . . ?
C35 O31 C34 C35 86(3) 15_556 . . . ?
C37 O31 C34 C36 41(3) 14_456 . . 14_456 ?
C34 O31 C34 C36 -91(3) 15_556 . . 14_456 ?
C36 O31 C34 C36 -153(3) . . . 14_456 ?
C33 O31 C34 C36 -136.5(16) . . . 14_456 ?
C32 O31 C34 C36 7(5) 14_456 . . 14_456 ?
C37 O31 C34 C36 -118.4(17) . . . 14_456 ?
C33 O31 C34 C36 18.0(14) 14_456 . . 14_456 ?
C35 O31 C34 C36 -49(3) 15_556 . . 14_456 ?
C37 O31 C34 C32 111(6) 14_456 . . 3_565 ?
C34 O31 C34 C32 -21(6) 15_556 . . 3_565 ?
C36 O31 C34 C32 -84(6) . . . 3_565 ?
C33 O31 C34 C32 -67(6) . . . 3_565 ?
C32 O31 C34 C32 76(6) 14_456 . . 3_565 ?
C37 O31 C34 C32 -49(6) . . . 3_565 ?
C33 O31 C34 C32 87(6) 14_456 . . 3_565 ?
C35 O31 C34 C32 20(6) 15_556 . . 3_565 ?
C37 O31 C34 C37 66(3) 14_456 . . 3_565 ?
C34 O31 C34 C37 -66(3) 15_556 . . 3_565 ?
C36 O31 C34 C37 -128(3) . . . 3_565 ?
C33 O31 C34 C37 -112(2) . . . 3_565 ?
C32 O31 C34 C37 31(5) 14_456 . . 3_565 ?
C37 O31 C34 C37 -94(2) . . . 3_565 ?
C33 O31 C34 C37 42.6(18) 14_456 . . 3_565 ?
C35 O31 C34 C37 -25(3) 15_556 . . 3_565 ?
C37 O31 C34 C32 35(5) 14_456 . . 14_456 ?
C34 O31 C34 C32 -97(5) 15_556 . . 14_456 ?
C36 O31 C34 C32 -160(5) . . . 14_456 ?
C33 O31 C34 C32 -143(5) . . . 14_456 ?
C37 O31 C34 C32 -125(5) . . . 14_456 ?
C33 O31 C34 C32 11(5) 14_456 . . 14_456 ?
C35 O31 C34 C32 -56(5) 15_556 . . 14_456 ?
C37 O31 C34 C33 178(3) 14_456 . . . ?
C34 O31 C34 C33 46(2) 15_556 . . . ?
C36 O31 C34 C33 -17(3) . . . . ?
C32 O31 C34 C33 143(5) 14_456 . . . ?
C37 O31 C34 C33 18.1(14) . . . . ?
C33 O31 C34 C33 154(2) 14_456 . . . ?
C35 O31 C34 C33 87(2) 15_556 . . . ?
C37 C34 C35 C36 16(3) 14_456 . . . ?
O31 C34 C35 C36 155(3) 14_456 . . . ?
C33 C34 C35 C36 73(7) 14_456 . . . ?
O31 C34 C35 C36 14(2) . . . . ?
C36 C34 C35 C36 115(4) 14_456 . . . ?
C32 C34 C35 C36 153(4) 3_565 . . . ?
C37 C34 C35 C36 146(3) 3_565 . . . ?
C32 C34 C35 C36 42(5) 14_456 . . . ?
C33 C34 C35 C36 14(2) . . . . ?
C37 C34 C35 C38 -123(4) 14_456 . . 3_565 ?
O31 C34 C35 C38 16(5) 14_456 . . 3_565 ?
C36 C34 C35 C38 -139(5) . . . 3_565 ?
C33 C34 C35 C38 -66(8) 14_456 . . 3_565 ?
O31 C34 C35 C38 -125(4) . . . 3_565 ?
C36 C34 C35 C38 -24(6) 14_456 . . 3_565 ?
C32 C34 C35 C38 14(5) 3_565 . . 3_565 ?
C37 C34 C35 C38 7(5) 3_565 . . 3_565 ?
C32 C34 C35 C38 -97(6) 14_456 . . 3_565 ?
C33 C34 C35 C38 -125(4) . . . 3_565 ?
C37 C34 C35 C33 2(3) 14_456 . . . ?
O31 C34 C35 C33 141(3) 14_456 . . . ?
C36 C34 C35 C33 -14(2) . . . . ?
C33 C34 C35 C33 59(7) 14_456 . . . ?
O31 C34 C35 C33 0.6(16) . . . . ?
C36 C34 C35 C33 101(3) 14_456 . . . ?
C32 C34 C35 C33 139(4) 3_565 . . . ?
C37 C34 C35 C33 132.0(18) 3_565 . . . ?
C32 C34 C35 C33 29(4) 14_456 . . . ?
C37 C34 C35 C32 -24(6) 14_456 . . . ?
O31 C34 C35 C32 115(6) 14_456 . . . ?
C36 C34 C35 C32 -40(5) . . . . ?
C33 C34 C35 C32 33(9) 14_456 . . . ?
O31 C34 C35 C32 -25(6) . . . . ?
C36 C34 C35 C32 75(6) 14_456 . . . ?
C32 C34 C35 C32 113(7) 3_565 . . . ?
C37 C34 C35 C32 106(5) 3_565 . . . ?
C32 C34 C35 C32 3(6) 14_456 . . . ?
C33 C34 C35 C32 -26(5) . . . . ?
O31 C34 C35 C37 139(4) 14_456 . . 14_456 ?
C36 C34 C35 C37 -16(3) . . . 14_456 ?
C33 C34 C35 C37 57(5) 14_456 . . 14_456 ?
O31 C34 C35 C37 -2(2) . . . 14_456 ?
C36 C34 C35 C37 99(4) 14_456 . . 14_456 ?
C32 C34 C35 C37 137(4) 3_565 . . 14_456 ?
C37 C34 C35 C37 130(4) 3_565 . . 14_456 ?
C32 C34 C35 C37 26(4) 14_456 . . 14_456 ?
C33 C34 C35 C37 -2(3) . . . 14_456 ?
C37 C34 C35 O31 -139(4) 14_456 . . 14_456 ?
C36 C34 C35 O31 -155(3) . . . 14_456 ?
C33 C34 C35 O31 -82(6) 14_456 . . 14_456 ?
O31 C34 C35 O31 -141(3) . . . 14_456 ?
C36 C34 C35 O31 -40(2) 14_456 . . 14_456 ?
C32 C34 C35 O31 -2(4) 3_565 . . 14_456 ?
C37 C34 C35 O31 -9.3(17) 3_565 . . 14_456 ?
C32 C34 C35 O31 -113(5) 14_456 . . 14_456 ?
C33 C34 C35 O31 -141(3) . . . 14_456 ?
C37 C34 C35 C38 -80(5) 14_456 . . . ?
O31 C34 C35 C38 59(6) 14_456 . . . ?
C36 C34 C35 C38 -96(5) . . . . ?
C33 C34 C35 C38 -23(9) 14_456 . . . ?
O31 C34 C35 C38 -82(5) . . . . ?
C36 C34 C35 C38 19(7) 14_456 . . . ?
C32 C34 C35 C38 57(6) 3_565 . . . ?
C37 C34 C35 C38 50(5) 3_565 . . . ?
C32 C34 C35 C38 -54(6) 14_456 . . . ?
C33 C34 C35 C38 -82(5) . . . . ?
C37 C34 C35 C32 -137(4) 14_456 . . 3_565 ?
O31 C34 C35 C32 2(4) 14_456 . . 3_565 ?
C36 C34 C35 C32 -153(4) . . . 3_565 ?
C33 C34 C35 C32 -80(7) 14_456 . . 3_565 ?
O31 C34 C35 C32 -138(3) . . . 3_565 ?
C36 C34 C35 C32 -38(4) 14_456 . . 3_565 ?
C37 C34 C35 C32 -7(4) 3_565 . . 3_565 ?
C32 C34 C35 C32 -110(7) 14_456 . . 3_565 ?
C33 C34 C35 C32 -139(4) . . . 3_565 ?
C37 C34 C35 C39 -111(3) 14_456 . . . ?
O31 C34 C35 C39 28(5) 14_456 . . . ?
C36 C34 C35 C39 -127(4) . . . . ?
C33 C34 C35 C39 -54(8) 14_456 . . . ?
O31 C34 C35 C39 -112(3) . . . . ?
C36 C34 C35 C39 -12(5) 14_456 . . . ?
C32 C34 C35 C39 26(4) 3_565 . . . ?
C37 C34 C35 C39 19(4) 3_565 . . . ?
C32 C34 C35 C39 -84(5) 14_456 . . . ?
C33 C34 C35 C39 -113(3) . . . . ?
C37 C33 C35 C36 -155(5) . . . . ?
O31 C33 C35 C36 -23(4) . . . . ?
C34 C33 C35 C36 -66(5) 15_556 . . . ?
C32 C33 C35 C36 -172(7) . . . . ?
C37 C33 C35 C36 -23(3) 14_456 . . . ?
O31 C33 C35 C36 -149(4) 15_556 . . . ?
C36 C33 C35 C36 -109(4) 15_556 . . . ?
C34 C33 C35 C36 -22(3) . . . . ?
C37 C33 C35 C34 -133(4) . . . . ?
C36 C33 C35 C34 22(3) . . . . ?
O31 C33 C35 C34 -1(2) . . . . ?
C34 C33 C35 C34 -44(4) 15_556 . . . ?
C32 C33 C35 C34 -150(5) . . . . ?
C37 C33 C35 C34 -1.2(18) 14_456 . . . ?
O31 C33 C35 C34 -126(2) 15_556 . . . ?
C36 C33 C35 C34 -87(3) 15_556 . . . ?
C37 C33 C35 C38 -18(6) . . . 3_565 ?
C36 C33 C35 C38 137(6) . . . 3_565 ?
O31 C33 C35 C38 114(5) . . . 3_565 ?
C34 C33 C35 C38 71(6) 15_556 . . 3_565 ?
C32 C33 C35 C38 -36(7) . . . 3_565 ?
C37 C33 C35 C38 113(4) 14_456 . . 3_565 ?
O31 C33 C35 C38 -12(5) 15_556 . . 3_565 ?
C36 C33 C35 C38 27(6) 15_556 . . 3_565 ?
C34 C33 C35 C38 114(5) . . . 3_565 ?
C37 C33 C35 C32 18(6) . . . . ?
C36 C33 C35 C32 172(7) . . . . ?
O31 C33 C35 C32 149(5) . . . . ?
C34 C33 C35 C32 107(6) 15_556 . . . ?
C37 C33 C35 C32 149(5) 14_456 . . . ?
O31 C33 C35 C32 24(5) 15_556 . . . ?
C36 C33 C35 C32 63(5) 15_556 . . . ?
C34 C33 C35 C32 150(5) . . . . ?
C37 C33 C35 C37 -131(4) . . . 14_456 ?
C36 C33 C35 C37 23(3) . . . 14_456 ?
O31 C33 C35 C37 0.4(14) . . . 14_456 ?
C34 C33 C35 C37 -42(3) 15_556 . . 14_456 ?
C32 C33 C35 C37 -149(5) . . . 14_456 ?
O31 C33 C35 C37 -125.1(19) 15_556 . . 14_456 ?
C36 C33 C35 C37 -86(2) 15_556 . . 14_456 ?
C34 C33 C35 C37 1.2(18) . . . 14_456 ?
C37 C33 C35 O31 -113(4) . . . 14_456 ?
C36 C33 C35 O31 41(4) . . . 14_456 ?
O31 C33 C35 O31 18(2) . . . 14_456 ?
C34 C33 C35 O31 -25(5) 15_556 . . 14_456 ?
C32 C33 C35 O31 -131(5) . . . 14_456 ?
C37 C33 C35 O31 17.8(17) 14_456 . . 14_456 ?
O31 C33 C35 O31 -107(2) 15_556 . . 14_456 ?
C36 C33 C35 O31 -68(3) 15_556 . . 14_456 ?
C34 C33 C35 O31 19.1(14) . . . 14_456 ?
C37 C33 C35 C38 2(4) . . . . ?
C36 C33 C35 C38 157(5) . . . . ?
O31 C33 C35 C38 134(3) . . . . ?
C34 C33 C35 C38 91(4) 15_556 . . . ?
C32 C33 C35 C38 -15(5) . . . . ?
C37 C33 C35 C38 134(3) 14_456 . . . ?
O31 C33 C35 C38 9(3) 15_556 . . . ?
C36 C33 C35 C38 48(3) 15_556 . . . ?
C34 C33 C35 C38 135(3) . . . . ?
C37 C33 C35 C32 -70(7) . . . 3_565 ?
C36 C33 C35 C32 84(7) . . . 3_565 ?
O31 C33 C35 C32 61(7) . . . 3_565 ?
C34 C33 C35 C32 19(8) 15_556 . . 3_565 ?
C32 C33 C35 C32 -88(8) . . . 3_565 ?
C37 C33 C35 C32 61(6) 14_456 . . 3_565 ?
O31 C33 C35 C32 -64(7) 15_556 . . 3_565 ?
C36 C33 C35 C32 -25(7) 15_556 . . 3_565 ?
C34 C33 C35 C32 62(6) . . . 3_565 ?
C37 C33 C35 C39 -3(4) . . . . ?
C36 C33 C35 C39 152(5) . . . . ?
O31 C33 C35 C39 129(2) . . . . ?
C34 C33 C35 C39 86(4) 15_556 . . . ?
C32 C33 C35 C39 -20(5) . . . . ?
C37 C33 C35 C39 129(2) 14_456 . . . ?
O31 C33 C35 C39 4(3) 15_556 . . . ?
C36 C33 C35 C39 43(3) 15_556 . . . ?
C34 C33 C35 C39 130(3) . . . . ?
C37 C32 C35 C36 -7(7) . . . . ?
C33 C32 C35 C36 4(4) . . . . ?
C38 C32 C35 C36 -152(6) . . . . ?
O31 C32 C35 C36 -42(12) 15_556 . . . ?
C34 C32 C35 C36 -92(11) 2_665 . . . ?
C34 C32 C35 C36 -18(3) 15_556 . . . ?
C35 C32 C35 C36 -130(7) 2_665 . . . ?
C36 C32 C35 C36 -35(5) 15_556 . . . ?
C37 C32 C35 C34 28(10) . . . . ?
C33 C32 C35 C34 40(7) . . . . ?
C38 C32 C35 C34 -117(7) . . . . ?
O31 C32 C35 C34 -7(15) 15_556 . . . ?
C36 C32 C35 C34 35(4) . . . . ?
C34 C32 C35 C34 -57(13) 2_665 . . . ?
C34 C32 C35 C34 17(7) 15_556 . . . ?
C35 C32 C35 C34 -95(8) 2_665 . . . ?
C36 C32 C35 C34 1(8) 15_556 . . . ?
C37 C32 C35 C38 139(8) . . . 3_565 ?
C33 C32 C35 C38 150(5) . . . 3_565 ?
C38 C32 C35 C38 -6(5) . . . 3_565 ?
O31 C32 C35 C38 104(13) 15_556 . . 3_565 ?
C36 C32 C35 C38 146(5) . . . 3_565 ?
C34 C32 C35 C38 53(11) 2_665 . . 3_565 ?
C34 C32 C35 C38 128(5) 15_556 . . 3_565 ?
C35 C32 C35 C38 16(7) 2_665 . . 3_565 ?
C36 C32 C35 C38 111(6) 15_556 . . 3_565 ?
C37 C32 C35 C33 -11(4) . . . . ?
C38 C32 C35 C33 -157(8) . . . . ?
O31 C32 C35 C33 -47(10) 15_556 . . . ?
C36 C32 C35 C33 -4(4) . . . . ?
C34 C32 C35 C33 -97(11) 2_665 . . . ?
C34 C32 C35 C33 -23(2) 15_556 . . . ?
C35 C32 C35 C33 -135(9) 2_665 . . . ?
C36 C32 C35 C33 -39(4) 15_556 . . . ?
C37 C32 C35 C37 17(8) . . . 14_456 ?
C33 C32 C35 C37 28(4) . . . 14_456 ?
C38 C32 C35 C37 -129(6) . . . 14_456 ?
O31 C32 C35 C37 -19(13) 15_556 . . 14_456 ?
C36 C32 C35 C37 24(2) . . . 14_456 ?
C34 C32 C35 C37 -69(11) 2_665 . . 14_456 ?
C34 C32 C35 C37 5(4) 15_556 . . 14_456 ?
C35 C32 C35 C37 -107(6) 2_665 . . 14_456 ?
C36 C32 C35 C37 -11(6) 15_556 . . 14_456 ?
C37 C32 C35 O31 66(10) . . . 14_456 ?
C33 C32 C35 O31 77(7) . . . 14_456 ?
C38 C32 C35 O31 -79(8) . . . 14_456 ?
O31 C32 C35 O31 31(16) 15_556 . . 14_456 ?
C36 C32 C35 O31 73(5) . . . 14_456 ?
C34 C32 C35 O31 -19(15) 2_665 . . 14_456 ?
C34 C32 C35 O31 55(7) 15_556 . . 14_456 ?
C35 C32 C35 O31 -57(10) 2_665 . . 14_456 ?
C36 C32 C35 O31 38(9) 15_556 . . 14_456 ?
C37 C32 C35 C38 145(11) . . . . ?
C33 C32 C35 C38 157(8) . . . . ?
O31 C32 C35 C38 110(13) 15_556 . . . ?
C36 C32 C35 C38 152(6) . . . . ?
C34 C32 C35 C38 60(9) 2_665 . . . ?
C34 C32 C35 C38 134(7) 15_556 . . . ?
C35 C32 C35 C38 22(5) 2_665 . . . ?
C36 C32 C35 C38 118(8) 15_556 . . . ?
C37 C32 C35 C32 115(8) . . . 3_565 ?
C33 C32 C35 C32 126(6) . . . 3_565 ?
C38 C32 C35 C32 -30(11) . . . 3_565 ?
O31 C32 C35 C32 80(15) 15_556 . . 3_565 ?
C36 C32 C35 C32 122(7) . . . 3_565 ?
C34 C32 C35 C32 30(16) 2_665 . . 3_565 ?
C34 C32 C35 C32 104(7) 15_556 . . 3_565 ?
C35 C32 C35 C32 -8(13) 2_665 . . 3_565 ?
C36 C32 C35 C32 87(9) 15_556 . . 3_565 ?
C37 C32 C35 C39 147(8) . . . . ?
C33 C32 C35 C39 159(5) . . . . ?
C38 C32 C35 C39 2(5) . . . . ?
O31 C32 C35 C39 112(12) 15_556 . . . ?
C36 C32 C35 C39 154(4) . . . . ?
C34 C32 C35 C39 62(10) 2_665 . . . ?
C34 C32 C35 C39 136(4) 15_556 . . . ?
C35 C32 C35 C39 24(5) 2_665 . . . ?
C36 C32 C35 C39 120(6) 15_556 . . . ?
C34 C35 C36 C33 -155(4) . . . . ?
C38 C35 C36 C33 -70(9) 3_565 . . . ?
C32 C35 C36 C33 -5(5) . . . . ?
C37 C35 C36 C33 -140(5) 14_456 . . . ?
O31 C35 C36 C33 -143(3) 14_456 . . . ?
C38 C35 C36 C33 -25(5) . . . . ?
C32 C35 C36 C33 -123(5) 3_565 . . . ?
C39 C35 C36 C33 -39(7) . . . . ?
C38 C35 C36 C34 85(8) 3_565 . . . ?
C33 C35 C36 C34 155(4) . . . . ?
C32 C35 C36 C34 149(4) . . . . ?
C37 C35 C36 C34 15(3) 14_456 . . . ?
O31 C35 C36 C34 11.5(15) 14_456 . . . ?
C38 C35 C36 C34 130(4) . . . . ?
C32 C35 C36 C34 31(5) 3_565 . . . ?
C39 C35 C36 C34 115(5) . . . . ?
C34 C35 C36 O31 -75(11) . . . . ?
C38 C35 C36 O31 10(17) 3_565 . . . ?
C33 C35 C36 O31 80(11) . . . . ?
C32 C35 C36 O31 74(12) . . . . ?
C37 C35 C36 O31 -60(10) 14_456 . . . ?
O31 C35 C36 O31 -63(11) 14_456 . . . ?
C38 C35 C36 O31 55(13) . . . . ?
C32 C35 C36 O31 -44(14) 3_565 . . . ?
C39 C35 C36 O31 40(15) . . . . ?
C34 C35 C36 C37 -15(3) . . . 14_456 ?
C38 C35 C36 C37 70(9) 3_565 . . 14_456 ?
C33 C35 C36 C37 140(5) . . . 14_456 ?
C32 C35 C36 C37 135(4) . . . 14_456 ?
O31 C35 C36 C37 -3(3) 14_456 . . 14_456 ?
C38 C35 C36 C37 115(4) . . . 14_456 ?
C32 C35 C36 C37 17(7) 3_565 . . 14_456 ?
C39 C35 C36 C37 101(5) . . . 14_456 ?
C34 C35 C36 C34 -121(4) . . . 15_556 ?
C38 C35 C36 C34 -36(11) 3_565 . . 15_556 ?
C33 C35 C36 C34 34(3) . . . 15_556 ?
C32 C35 C36 C34 28(5) . . . 15_556 ?
C37 C35 C36 C34 -106(5) 14_456 . . 15_556 ?
O31 C35 C36 C34 -109(4) 14_456 . . 15_556 ?
C38 C35 C36 C34 9(7) . . . 15_556 ?
C32 C35 C36 C34 -90(7) 3_565 . . 15_556 ?
C39 C35 C36 C34 -6(8) . . . 15_556 ?
C34 C35 C36 C32 -149(4) . . . . ?
C38 C35 C36 C32 -64(9) 3_565 . . . ?
C33 C35 C36 C32 5(5) . . . . ?
C37 C35 C36 C32 -135(4) 14_456 . . . ?
O31 C35 C36 C32 -138(4) 14_456 . . . ?
C38 C35 C36 C32 -20(4) . . . . ?
C32 C35 C36 C32 -118(7) 3_565 . . . ?
C39 C35 C36 C32 -34(5) . . . . ?
C34 C35 C36 C37 -145(2) . . . . ?
C38 C35 C36 C37 -60(9) 3_565 . . . ?
C33 C35 C36 C37 9(2) . . . . ?
C32 C35 C36 C37 4(4) . . . . ?
C37 C35 C36 C37 -131(4) 14_456 . . . ?
O31 C35 C36 C37 -133.5(19) 14_456 . . . ?
C38 C35 C36 C37 -15(5) . . . . ?
C32 C35 C36 C37 -114(5) 3_565 . . . ?
C39 C35 C36 C37 -30(6) . . . . ?
C34 C35 C36 C33 -17.3(17) . . . 14_456 ?
C38 C35 C36 C33 68(9) 3_565 . . 14_456 ?
C33 C35 C36 C33 137(4) . . . 14_456 ?
C32 C35 C36 C33 132(4) . . . 14_456 ?
C37 C35 C36 C33 -3(2) 14_456 . . 14_456 ?
O31 C35 C36 C33 -5.7(18) 14_456 . . 14_456 ?
C38 C35 C36 C33 112(4) . . . 14_456 ?
C32 C35 C36 C33 14(6) 3_565 . . 14_456 ?
C39 C35 C36 C33 98(5) . . . 14_456 ?
C34 C35 C36 C32 -43(5) . . . 14_456 ?
C38 C35 C36 C32 42(10) 3_565 . . 14_456 ?
C33 C35 C36 C32 111(6) . . . 14_456 ?
C32 C35 C36 C32 106(7) . . . 14_456 ?
C37 C35 C36 C32 -29(4) 14_456 . . 14_456 ?
O31 C35 C36 C32 -32(5) 14_456 . . 14_456 ?
C38 C35 C36 C32 86(6) . . . 14_456 ?
C32 C35 C36 C32 -12(7) 3_565 . . 14_456 ?
C39 C35 C36 C32 72(7) . . . 14_456 ?
C37 C33 C36 C35 58(11) . . . . ?
O31 C33 C36 C35 154(4) . . . . ?
C34 C33 C36 C35 135(3) 15_556 . . . ?
C32 C33 C36 C35 8(7) . . . . ?
C37 C33 C36 C35 144(5) 14_456 . . . ?
O31 C33 C36 C35 51(6) 15_556 . . . ?
C36 C33 C36 C35 104(4) 15_556 . . . ?
C34 C33 C36 C35 92(9) . . . . ?
C37 C33 C36 C34 -34(16) . . . . ?
O31 C33 C36 C34 62(9) . . . . ?
C34 C33 C36 C34 43(10) 15_556 . . . ?
C32 C33 C36 C34 -84(10) . . . . ?
C35 C33 C36 C34 -92(9) . . . . ?
C37 C33 C36 C34 51(8) 14_456 . . . ?
O31 C33 C36 C34 -41(12) 15_556 . . . ?
C36 C33 C36 C34 11(11) 15_556 . . . ?
C37 C33 C36 O31 -96(10) . . . . ?
C34 C33 C36 O31 -19(2) 15_556 . . . ?
C32 C33 C36 O31 -146(5) . . . . ?
C35 C33 C36 O31 -154(4) . . . . ?
C37 C33 C36 O31 -11(2) 14_456 . . . ?
O31 C33 C36 O31 -103(4) 15_556 . . . ?
C36 C33 C36 O31 -51(3) 15_556 . . . ?
C34 C33 C36 O31 -62(9) . . . . ?
C37 C33 C36 C37 -85(10) . . . 14_456 ?
O31 C33 C36 C37 11(2) . . . 14_456 ?
C34 C33 C36 C37 -9(4) 15_556 . . 14_456 ?
C32 C33 C36 C37 -136(5) . . . 14_456 ?
C35 C33 C36 C37 -144(5) . . . 14_456 ?
O31 C33 C36 C37 -92(5) 15_556 . . 14_456 ?
C36 C33 C36 C37 -40(4) 15_556 . . 14_456 ?
C34 C33 C36 C37 -51(8) . . . 14_456 ?
C37 C33 C36 C34 -77(9) . . . 15_556 ?
O31 C33 C36 C34 19(2) . . . 15_556 ?
C32 C33 C36 C34 -127(6) . . . 15_556 ?
C35 C33 C36 C34 -135(3) . . . 15_556 ?
C37 C33 C36 C34 9(4) 14_456 . . 15_556 ?
O31 C33 C36 C34 -84(4) 15_556 . . 15_556 ?
C36 C33 C36 C34 -31(2) 15_556 . . 15_556 ?
C34 C33 C36 C34 -43(10) . . . 15_556 ?
C37 C33 C36 C32 51(10) . . . . ?
O31 C33 C36 C32 146(5) . . . . ?
C34 C33 C36 C32 127(6) 15_556 . . . ?
C35 C33 C36 C32 -8(7) . . . . ?
C37 C33 C36 C32 136(5) 14_456 . . . ?
O31 C33 C36 C32 43(6) 15_556 . . . ?
C36 C33 C36 C32 96(6) 15_556 . . . ?
C34 C33 C36 C32 84(10) . . . . ?
O31 C33 C36 C37 96(10) . . . . ?
C34 C33 C36 C37 77(9) 15_556 . . . ?
C32 C33 C36 C37 -51(10) . . . . ?
C35 C33 C36 C37 -58(11) . . . . ?
C37 C33 C36 C37 85(10) 14_456 . . . ?
O31 C33 C36 C37 -7(6) 15_556 . . . ?
C36 C33 C36 C37 45(8) 15_556 . . . ?
C34 C33 C36 C37 34(16) . . . . ?
C37 C33 C36 C33 -63(10) . . . 14_456 ?
O31 C33 C36 C33 33(3) . . . 14_456 ?
C34 C33 C36 C33 14(5) 15_556 . . 14_456 ?
C32 C33 C36 C33 -113(6) . . . 14_456 ?
C35 C33 C36 C33 -121(5) . . . 14_456 ?
C37 C33 C36 C33 22.5(17) 14_456 . . 14_456 ?
O31 C33 C36 C33 -70(5) 15_556 . . 14_456 ?
C36 C33 C36 C33 -17(5) 15_556 . . 14_456 ?
C34 C33 C36 C33 -29(7) . . . 14_456 ?
C37 C33 C36 C32 -72(10) . . . 14_456 ?
O31 C33 C36 C32 24(3) . . . 14_456 ?
C34 C33 C36 C32 5(4) 15_556 . . 14_456 ?
C32 C33 C36 C32 -122(7) . . . 14_456 ?
C35 C33 C36 C32 -130(5) . . . 14_456 ?
C37 C33 C36 C32 13(3) 14_456 . . 14_456 ?
O31 C33 C36 C32 -79(5) 15_556 . . 14_456 ?
C36 C33 C36 C32 -26(4) 15_556 . . 14_456 ?
C34 C33 C36 C32 -38(9) . . . 14_456 ?
C37 C34 C36 C35 -165(3) 14_456 . . . ?
O31 C34 C36 C35 -71(8) 14_456 . . . ?
C33 C34 C36 C35 -147(3) 14_456 . . . ?
O31 C34 C36 C35 -157(4) . . . . ?
C36 C34 C36 C35 -119(4) 14_456 . . . ?
C32 C34 C36 C35 -31(5) 3_565 . . . ?
C37 C34 C36 C35 -63(5) 3_565 . . . ?
C32 C34 C36 C35 -143(4) 14_456 . . . ?
C33 C34 C36 C35 -102(9) . . . . ?
C37 C34 C36 C33 -63(9) 14_456 . . . ?
O31 C34 C36 C33 31(14) 14_456 . . . ?
C33 C34 C36 C33 -45(10) 14_456 . . . ?
C35 C34 C36 C33 102(9) . . . . ?
O31 C34 C36 C33 -55(8) . . . . ?
C36 C34 C36 C33 -17(11) 14_456 . . . ?
C32 C34 C36 C33 71(10) 3_565 . . . ?
C37 C34 C36 C33 39(11) 3_565 . . . ?
C32 C34 C36 C33 -41(9) 14_456 . . . ?
C37 C34 C36 O31 -8(2) 14_456 . . . ?
O31 C34 C36 O31 86(8) 14_456 . . . ?
C33 C34 C36 O31 10(3) 14_456 . . . ?
C35 C34 C36 O31 157(4) . . . . ?
C36 C34 C36 O31 38(4) 14_456 . . . ?
C32 C34 C36 O31 126(4) 3_565 . . . ?
C37 C34 C36 O31 94(4) 3_565 . . . ?
C32 C34 C36 O31 14(4) 14_456 . . . ?
C33 C34 C36 O31 55(8) . . . . ?
O31 C34 C36 C37 94(8) 14_456 . . 14_456 ?
C33 C34 C36 C37 18(2) 14_456 . . 14_456 ?
C35 C34 C36 C37 165(3) . . . 14_456 ?
O31 C34 C36 C37 8(2) . . . 14_456 ?
C36 C34 C36 C37 46(3) 14_456 . . 14_456 ?
C32 C34 C36 C37 134(4) 3_565 . . 14_456 ?
C37 C34 C36 C37 102(4) 3_565 . . 14_456 ?
C32 C34 C36 C37 22(3) 14_456 . . 14_456 ?
C33 C34 C36 C37 63(9) . . . 14_456 ?
C37 C34 C36 C34 -34(3) 14_456 . . 15_556 ?
O31 C34 C36 C34 60(9) 14_456 . . 15_556 ?
C33 C34 C36 C34 -17(4) 14_456 . . 15_556 ?
C35 C34 C36 C34 130(4) . . . 15_556 ?
O31 C34 C36 C34 -26.5(17) . . . 15_556 ?
C36 C34 C36 C34 12(5) 14_456 . . 15_556 ?
C32 C34 C36 C34 99(5) 3_565 . . 15_556 ?
C37 C34 C36 C34 68(5) 3_565 . . 15_556 ?
C32 C34 C36 C34 -13(4) 14_456 . . 15_556 ?
C33 C34 C36 C34 28(7) . . . 15_556 ?
C37 C34 C36 C32 -123(6) 14_456 . . . ?
O31 C34 C36 C32 -29(11) 14_456 . . . ?
C33 C34 C36 C32 -105(6) 14_456 . . . ?
C35 C34 C36 C32 42(6) . . . . ?
O31 C34 C36 C32 -115(6) . . . . ?
C36 C34 C36 C32 -77(7) 14_456 . . . ?
C32 C34 C36 C32 11(6) 3_565 . . . ?
C37 C34 C36 C32 -21(8) 3_565 . . . ?
C32 C34 C36 C32 -101(7) 14_456 . . . ?
C33 C34 C36 C32 -60(9) . . . . ?
C37 C34 C36 C37 -74(5) 14_456 . . . ?
O31 C34 C36 C37 21(11) 14_456 . . . ?
C33 C34 C36 C37 -56(6) 14_456 . . . ?
C35 C34 C36 C37 91(5) . . . . ?
O31 C34 C36 C37 -66(4) . . . . ?
C36 C34 C36 C37 -28(7) 14_456 . . . ?
C32 C34 C36 C37 60(7) 3_565 . . . ?
C37 C34 C36 C37 28(8) 3_565 . . . ?
C32 C34 C36 C37 -52(5) 14_456 . . . ?
C33 C34 C36 C37 -11(5) . . . . ?
C37 C34 C36 C33 -18(2) 14_456 . . 14_456 ?
O31 C34 C36 C33 76(7) 14_456 . . 14_456 ?
C35 C34 C36 C33 147(3) . . . 14_456 ?
O31 C34 C36 C33 -10(3) . . . 14_456 ?
C36 C34 C36 C33 28(2) 14_456 . . 14_456 ?
C32 C34 C36 C33 116(5) 3_565 . . 14_456 ?
C37 C34 C36 C33 84(4) 3_565 . . 14_456 ?
C32 C34 C36 C33 4(4) 14_456 . . 14_456 ?
C33 C34 C36 C33 45(10) . . . 14_456 ?
C37 C34 C36 C32 -22(3) 14_456 . . 14_456 ?
O31 C34 C36 C32 72(8) 14_456 . . 14_456 ?
C33 C34 C36 C32 -4(4) 14_456 . . 14_456 ?
C35 C34 C36 C32 143(4) . . . 14_456 ?
O31 C34 C36 C32 -14(4) . . . 14_456 ?
C36 C34 C36 C32 24(4) 14_456 . . 14_456 ?
C32 C34 C36 C32 112(6) 3_565 . . 14_456 ?
C37 C34 C36 C32 80(5) 3_565 . . 14_456 ?
C33 C34 C36 C32 41(9) . . . 14_456 ?
C37 O31 C36 C35 77(11) 14_456 . . . ?
C34 O31 C36 C35 -71(12) 15_556 . . . ?
C33 O31 C36 C35 -90(11) . . . . ?
C32 O31 C36 C35 46(13) 14_456 . . . ?
C34 O31 C36 C35 68(11) . . . . ?
C37 O31 C36 C35 -79(11) . . . . ?
C33 O31 C36 C35 63(11) 14_456 . . . ?
C35 O31 C36 C35 -39(13) 15_556 . . . ?
C37 O31 C36 C33 167(3) 14_456 . . . ?
C34 O31 C36 C33 20(3) 15_556 . . . ?
C32 O31 C36 C33 137(6) 14_456 . . . ?
C34 O31 C36 C33 159(3) . . . . ?
C37 O31 C36 C33 11.6(19) . . . . ?
C33 O31 C36 C33 153(3) 14_456 . . . ?
C35 O31 C36 C33 51(3) 15_556 . . . ?
C37 O31 C36 C34 9(2) 14_456 . . . ?
C34 O31 C36 C34 -139(3) 15_556 . . . ?
C33 O31 C36 C34 -159(3) . . . . ?
C32 O31 C36 C34 -22(6) 14_456 . . . ?
C37 O31 C36 C34 -147(2) . . . . ?
C33 O31 C36 C34 -5.6(18) 14_456 . . . ?
C35 O31 C36 C34 -108(3) 15_556 . . . ?
C34 O31 C36 C37 -147(3) 15_556 . . 14_456 ?
C33 O31 C36 C37 -167(3) . . . 14_456 ?
C32 O31 C36 C37 -30(5) 14_456 . . 14_456 ?
C34 O31 C36 C37 -9(2) . . . 14_456 ?
C37 O31 C36 C37 -156(2) . . . 14_456 ?
C33 O31 C36 C37 -14.1(16) 14_456 . . 14_456 ?
C35 O31 C36 C37 -116(3) 15_556 . . 14_456 ?
C37 O31 C36 C34 147(3) 14_456 . . 15_556 ?
C33 O31 C36 C34 -20(3) . . . 15_556 ?
C32 O31 C36 C34 117(6) 14_456 . . 15_556 ?
C34 O31 C36 C34 139(3) . . . 15_556 ?
C37 O31 C36 C34 -8.3(18) . . . 15_556 ?
C33 O31 C36 C34 133(2) 14_456 . . 15_556 ?
C35 O31 C36 C34 31(2) 15_556 . . 15_556 ?
C37 O31 C36 C32 146(4) 14_456 . . . ?
C34 O31 C36 C32 -1(4) 15_556 . . . ?
C33 O31 C36 C32 -21(4) . . . . ?
C32 O31 C36 C32 115(9) 14_456 . . . ?
C34 O31 C36 C32 137(4) . . . . ?
C37 O31 C36 C32 -10(4) . . . . ?
C33 O31 C36 C32 132(4) 14_456 . . . ?
C35 O31 C36 C32 30(4) 15_556 . . . ?
C37 O31 C36 C37 156(2) 14_456 . . . ?
C34 O31 C36 C37 8.3(18) 15_556 . . . ?
C33 O31 C36 C37 -11.6(19) . . . . ?
C32 O31 C36 C37 125(5) 14_456 . . . ?
C34 O31 C36 C37 147(2) . . . . ?
C33 O31 C36 C37 141.4(13) 14_456 . . . ?
C35 O31 C36 C37 39(2) 15_556 . . . ?
C37 O31 C36 C33 14.1(16) 14_456 . . 14_456 ?
C34 O31 C36 C33 -133(2) 15_556 . . 14_456 ?
C33 O31 C36 C33 -153(3) . . . 14_456 ?
C32 O31 C36 C33 -16(5) 14_456 . . 14_456 ?
C34 O31 C36 C33 5.6(18) . . . 14_456 ?
C37 O31 C36 C33 -141.4(13) . . . 14_456 ?
C35 O31 C36 C33 -102(3) 15_556 . . 14_456 ?
C37 O31 C36 C32 30(5) 14_456 . . 14_456 ?
C34 O31 C36 C32 -117(6) 15_556 . . 14_456 ?
C33 O31 C36 C32 -137(6) . . . 14_456 ?
C34 O31 C36 C32 22(6) . . . 14_456 ?
C37 O31 C36 C32 -125(5) . . . 14_456 ?
C33 O31 C36 C32 16(5) 14_456 . . 14_456 ?
C35 O31 C36 C32 -86(6) 15_556 . . 14_456 ?
C37 C32 C36 C35 173(7) . . . . ?
C33 C32 C36 C35 -172(7) . . . . ?
C38 C32 C36 C35 27(7) . . . . ?
O31 C32 C36 C35 151(8) 15_556 . . . ?
C34 C32 C36 C35 116(9) 2_665 . . . ?
C34 C32 C36 C35 158(4) 15_556 . . . ?
C35 C32 C36 C35 69(9) 2_665 . . . ?
C36 C32 C36 C35 148(4) 15_556 . . . ?
C37 C32 C36 C33 -15(3) . . . . ?
C38 C32 C36 C33 -160(10) . . . . ?
O31 C32 C36 C33 -37(5) 15_556 . . . ?
C35 C32 C36 C33 172(7) . . . . ?
C34 C32 C36 C33 -71(9) 2_665 . . . ?
C34 C32 C36 C33 -30(4) 15_556 . . . ?
C35 C32 C36 C33 -118(12) 2_665 . . . ?
C36 C32 C36 C33 -40(4) 15_556 . . . ?
C37 C32 C36 C34 133(5) . . . . ?
C33 C32 C36 C34 147(5) . . . . ?
C38 C32 C36 C34 -13(10) . . . . ?
O31 C32 C36 C34 110(8) 15_556 . . . ?
C35 C32 C36 C34 -40(5) . . . . ?
C34 C32 C36 C34 76(11) 2_665 . . . ?
C34 C32 C36 C34 118(5) 15_556 . . . ?
C35 C32 C36 C34 29(13) 2_665 . . . ?
C36 C32 C36 C34 107(5) 15_556 . . . ?
C37 C32 C36 O31 16(6) . . . . ?
C33 C32 C36 O31 30(5) . . . . ?
C38 C32 C36 O31 -130(7) . . . . ?
O31 C32 C36 O31 -6(7) 15_556 . . . ?
C35 C32 C36 O31 -157(4) . . . . ?
C34 C32 C36 O31 -41(9) 2_665 . . . ?
C34 C32 C36 O31 1(2) 15_556 . . . ?
C35 C32 C36 O31 -88(10) 2_665 . . . ?
C36 C32 C36 O31 -10(4) 15_556 . . . ?
C37 C32 C36 C37 54(8) . . . 14_456 ?
C33 C32 C36 C37 68(7) . . . 14_456 ?
C38 C32 C36 C37 -92(9) . . . 14_456 ?
O31 C32 C36 C37 32(11) 15_556 . . 14_456 ?
C35 C32 C36 C37 -119(6) . . . 14_456 ?
C34 C32 C36 C37 -3(13) 2_665 . . 14_456 ?
C34 C32 C36 C37 39(6) 15_556 . . 14_456 ?
C35 C32 C36 C37 -50(13) 2_665 . . 14_456 ?
C36 C32 C36 C37 28(7) 15_556 . . 14_456 ?
C37 C32 C36 C34 15(4) . . . 15_556 ?
C33 C32 C36 C34 30(4) . . . 15_556 ?
C38 C32 C36 C34 -131(7) . . . 15_556 ?
O31 C32 C36 C34 -7(5) 15_556 . . 15_556 ?
C35 C32 C36 C34 -158(4) . . . 15_556 ?
C34 C32 C36 C34 -42(7) 2_665 . . 15_556 ?
C35 C32 C36 C34 -89(9) 2_665 . . 15_556 ?
C36 C32 C36 C34 -10.4(18) 15_556 . . 15_556 ?
C33 C32 C36 C37 15(3) . . . . ?
C38 C32 C36 C37 -146(10) . . . . ?
O31 C32 C36 C37 -22(3) 15_556 . . . ?
C35 C32 C36 C37 -173(7) . . . . ?
C34 C32 C36 C37 -57(7) 2_665 . . . ?
C34 C32 C36 C37 -15(4) 15_556 . . . ?
C35 C32 C36 C37 -104(11) 2_665 . . . ?
C36 C32 C36 C37 -25(3) 15_556 . . . ?
C37 C32 C36 C33 88(7) . . . 14_456 ?
C33 C32 C36 C33 103(6) . . . 14_456 ?
C38 C32 C36 C33 -58(10) . . . 14_456 ?
O31 C32 C36 C33 66(9) 15_556 . . 14_456 ?
C35 C32 C36 C33 -85(5) . . . 14_456 ?
C34 C32 C36 C33 31(12) 2_665 . . 14_456 ?
C34 C32 C36 C33 73(5) 15_556 . . 14_456 ?
C35 C32 C36 C33 -16(14) 2_665 . . 14_456 ?
C36 C32 C36 C33 63(6) 15_556 . . 14_456 ?
C37 C32 C36 C32 51(8) . . . 14_456 ?
C33 C32 C36 C32 66(7) . . . 14_456 ?
C38 C32 C36 C32 -95(8) . . . 14_456 ?
O31 C32 C36 C32 29(10) 15_556 . . 14_456 ?
C35 C32 C36 C32 -122(5) . . . 14_456 ?
C34 C32 C36 C32 -6(11) 2_665 . . 14_456 ?
C34 C32 C36 C32 36(5) 15_556 . . 14_456 ?
C35 C32 C36 C32 -53(12) 2_665 . . 14_456 ?
C36 C32 C36 C32 26(6) 15_556 . . 14_456 ?
C36 C33 C37 O31 -17(14) . . . 15_556 ?
O31 C33 C37 O31 -102(7) . . . 15_556 ?
C34 C33 C37 O31 -105(7) 15_556 . . 15_556 ?
C32 C33 C37 O31 43(8) . . . 15_556 ?
C35 C33 C37 O31 22(9) . . . 15_556 ?
C37 C33 C37 O31 -78(7) 14_456 . . 15_556 ?
C36 C33 C37 O31 -85(7) 15_556 . . 15_556 ?
C34 C33 C37 O31 -30(10) . . . 15_556 ?
C36 C33 C37 C34 88(10) . . . 15_556 ?
O31 C33 C37 C34 3(3) . . . 15_556 ?
C32 C33 C37 C34 148(6) . . . 15_556 ?
C35 C33 C37 C34 127(3) . . . 15_556 ?
C37 C33 C37 C34 27(4) 14_456 . . 15_556 ?
O31 C33 C37 C34 105(7) 15_556 . . 15_556 ?
C36 C33 C37 C34 21(3) 15_556 . . 15_556 ?
C34 C33 C37 C34 75(5) . . . 15_556 ?
C36 C33 C37 C32 -59(11) . . . . ?
O31 C33 C37 C32 -145(6) . . . . ?
C34 C33 C37 C32 -148(6) 15_556 . . . ?
C35 C33 C37 C32 -21(7) . . . . ?
C37 C33 C37 C32 -121(6) 14_456 . . . ?
O31 C33 C37 C32 -43(8) 15_556 . . . ?
C36 C33 C37 C32 -127(6) 15_556 . . . ?
C34 C33 C37 C32 -72(7) . . . . ?
C36 C33 C37 C36 68(11) . . . 15_556 ?
O31 C33 C37 C36 -17(4) . . . 15_556 ?
C34 C33 C37 C36 -21(2) 15_556 . . 15_556 ?
C32 C33 C37 C36 127(6) . . . 15_556 ?
C35 C33 C37 C36 107(4) . . . 15_556 ?
C37 C33 C37 C36 6(5) 14_456 . . 15_556 ?
O31 C33 C37 C36 85(7) 15_556 . . 15_556 ?
C34 C33 C37 C36 55(6) . . . 15_556 ?
C36 C33 C37 O31 85(9) . . . . ?
C34 C33 C37 O31 -3(3) 15_556 . . . ?
C32 C33 C37 O31 145(6) . . . . ?
C35 C33 C37 O31 124(5) . . . . ?
C37 C33 C37 O31 23.9(19) 14_456 . . . ?
O31 C33 C37 O31 102(7) 15_556 . . . ?
C36 C33 C37 O31 17(4) 15_556 . . . ?
C34 C33 C37 O31 72(4) . . . . ?
C36 C33 C37 C33 36(11) . . . 15_556 ?
O31 C33 C37 C33 -50(5) . . . 15_556 ?
C34 C33 C37 C33 -53(3) 15_556 . . 15_556 ?
C32 C33 C37 C33 95(6) . . . 15_556 ?
C35 C33 C37 C33 74(5) . . . 15_556 ?
C37 C33 C37 C33 -26(6) 14_456 . . 15_556 ?
O31 C33 C37 C33 52(6) 15_556 . . 15_556 ?
C36 C33 C37 C33 -32(2) 15_556 . . 15_556 ?
C34 C33 C37 C33 23(7) . . . 15_556 ?
O31 C33 C37 C36 -85(9) . . . . ?
C34 C33 C37 C36 -88(10) 15_556 . . . ?
C32 C33 C37 C36 59(11) . . . . ?
C35 C33 C37 C36 39(8) . . . . ?
C37 C33 C37 C36 -61(9) 14_456 . . . ?
O31 C33 C37 C36 17(14) 15_556 . . . ?
C36 C33 C37 C36 -68(11) 15_556 . . . ?
C34 C33 C37 C36 -13(6) . . . . ?
C36 C33 C37 C35 71(10) . . . 15_556 ?
O31 C33 C37 C35 -15(3) . . . 15_556 ?
C34 C33 C37 C35 -17.8(17) 15_556 . . 15_556 ?
C32 C33 C37 C35 130(6) . . . 15_556 ?
C35 C33 C37 C35 109(3) . . . 15_556 ?
C37 C33 C37 C35 9(4) 14_456 . . 15_556 ?
O31 C33 C37 C35 88(7) 15_556 . . 15_556 ?
C36 C33 C37 C35 3(2) 15_556 . . 15_556 ?
C34 C33 C37 C35 58(5) . . . 15_556 ?
C36 C33 C37 C34 -17(12) . . . 2_665 ?
O31 C33 C37 C34 -102(4) . . . 2_665 ?
C34 C33 C37 C34 -105(4) 15_556 . . 2_665 ?
C32 C33 C37 C34 43(6) . . . 2_665 ?
C35 C33 C37 C34 22(6) . . . 2_665 ?
C37 C33 C37 C34 -78(4) 14_456 . . 2_665 ?
O31 C33 C37 C34 0(4) 15_556 . . 2_665 ?
C36 C33 C37 C34 -84(4) 15_556 . . 2_665 ?
C34 C33 C37 C34 -30(7) . . . 2_665 ?
C38 C32 C37 C33 95(20) . . . . ?
O31 C32 C37 C33 161(3) 15_556 . . . ?
C35 C32 C37 C33 13(4) . . . . ?
C36 C32 C37 C33 9.9(19) . . . . ?
C34 C32 C37 C33 149(4) 2_665 . . . ?
C34 C32 C37 C33 44(8) 15_556 . . . ?
C35 C32 C37 C33 142(7) 2_665 . . . ?
C36 C32 C37 C33 121(6) 15_556 . . . ?
C33 C32 C37 O31 -161(3) . . . 15_556 ?
C38 C32 C37 O31 -65(20) . . . 15_556 ?
C35 C32 C37 O31 -147(6) . . . 15_556 ?
C36 C32 C37 O31 -151(3) . . . 15_556 ?
C34 C32 C37 O31 -11(2) 2_665 . . 15_556 ?
C34 C32 C37 O31 -117(7) 15_556 . . 15_556 ?
C35 C32 C37 O31 -19(5) 2_665 . . 15_556 ?
C36 C32 C37 O31 -39(6) 15_556 . . 15_556 ?
C33 C32 C37 C34 -44(7) . . . 15_556 ?
C38 C32 C37 C34 51(24) . . . 15_556 ?
O31 C32 C37 C34 117(7) 15_556 . . 15_556 ?
C35 C32 C37 C34 -31(11) . . . 15_556 ?
C36 C32 C37 C34 -34(8) . . . 15_556 ?
C34 C32 C37 C34 105(7) 2_665 . . 15_556 ?
C35 C32 C37 C34 98(9) 2_665 . . 15_556 ?
C36 C32 C37 C34 77(7) 15_556 . . 15_556 ?
C33 C32 C37 C36 -121(6) . . . 15_556 ?
C38 C32 C37 C36 -26(24) . . . 15_556 ?
O31 C32 C37 C36 39(6) 15_556 . . 15_556 ?
C35 C32 C37 C36 -108(7) . . . 15_556 ?
C36 C32 C37 C36 -112(6) . . . 15_556 ?
C34 C32 C37 C36 28(7) 2_665 . . 15_556 ?
C34 C32 C37 C36 -77(8) 15_556 . . 15_556 ?
C35 C32 C37 C36 21(11) 2_665 . . 15_556 ?
C33 C32 C37 O31 -20(3) . . . . ?
C38 C32 C37 O31 75(20) . . . . ?
O31 C32 C37 O31 141(3) 15_556 . . . ?
C35 C32 C37 O31 -7(7) . . . . ?
C36 C32 C37 O31 -10(4) . . . . ?
C34 C32 C37 O31 129(2) 2_665 . . . ?
C34 C32 C37 O31 24(5) 15_556 . . . ?
C35 C32 C37 O31 122(5) 2_665 . . . ?
C36 C32 C37 O31 101(6) 15_556 . . . ?
C33 C32 C37 C33 -138(3) . . . 15_556 ?
C38 C32 C37 C33 -42(21) . . . 15_556 ?
O31 C32 C37 C33 23(2) 15_556 . . 15_556 ?
C35 C32 C37 C33 -124(4) . . . 15_556 ?
C36 C32 C37 C33 -128(2) . . . 15_556 ?
C34 C32 C37 C33 12(3) 2_665 . . 15_556 ?
C34 C32 C37 C33 -94(7) 15_556 . . 15_556 ?
C35 C32 C37 C33 4(7) 2_665 . . 15_556 ?
C36 C32 C37 C33 -16(4) 15_556 . . 15_556 ?
C33 C32 C37 C36 -9.9(19) . . . . ?
C38 C32 C37 C36 86(20) . . . . ?
O31 C32 C37 C36 151(3) 15_556 . . . ?
C35 C32 C37 C36 4(3) . . . . ?
C34 C32 C37 C36 140(4) 2_665 . . . ?
C34 C32 C37 C36 34(8) 15_556 . . . ?
C35 C32 C37 C36 132(7) 2_665 . . . ?
C36 C32 C37 C36 112(6) 15_556 . . . ?
C33 C32 C37 C35 -89(7) . . . 15_556 ?
C38 C32 C37 C35 6(25) . . . 15_556 ?
O31 C32 C37 C35 72(7) 15_556 . . 15_556 ?
C35 C32 C37 C35 -76(9) . . . 15_556 ?
C36 C32 C37 C35 -79(7) . . . 15_556 ?
C34 C32 C37 C35 60(7) 2_665 . . 15_556 ?
C34 C32 C37 C35 -45(5) 15_556 . . 15_556 ?
C35 C32 C37 C35 53(11) 2_665 . . 15_556 ?
C36 C32 C37 C35 32(4) 15_556 . . 15_556 ?
C33 C32 C37 C34 -149(4) . . . 2_665 ?
C38 C32 C37 C34 -54(19) . . . 2_665 ?
O31 C32 C37 C34 11(2) 15_556 . . 2_665 ?
C35 C32 C37 C34 -136(6) . . . 2_665 ?
C36 C32 C37 C34 -140(4) . . . 2_665 ?
C34 C32 C37 C34 -105(7) 15_556 . . 2_665 ?
C35 C32 C37 C34 -7(4) 2_665 . . 2_665 ?
C36 C32 C37 C34 -28(7) 15_556 . . 2_665 ?
C37 O31 C37 C33 -58(5) 14_456 . . . ?
C34 O31 C37 C33 175(4) 15_556 . . . ?
C36 O31 C37 C33 -19(3) . . . . ?
C32 O31 C37 C33 -131(7) 14_456 . . . ?
C34 O31 C37 C33 -40(3) . . . . ?
C33 O31 C37 C33 -75(3) 14_456 . . . ?
C35 O31 C37 C33 -164(3) 15_556 . . . ?
C37 O31 C37 O31 74(2) 14_456 . . 15_556 ?
C34 O31 C37 O31 -53(4) 15_556 . . 15_556 ?
C36 O31 C37 O31 113(3) . . . 15_556 ?
C33 O31 C37 O31 132(5) . . . 15_556 ?
C32 O31 C37 O31 1(7) 14_456 . . 15_556 ?
C34 O31 C37 O31 92(4) . . . 15_556 ?
C33 O31 C37 O31 57(4) 14_456 . . 15_556 ?
C35 O31 C37 O31 -32(4) 15_556 . . 15_556 ?
C37 O31 C37 C34 128(4) 14_456 . . 15_556 ?
C36 O31 C37 C34 166(3) . . . 15_556 ?
C33 O31 C37 C34 -175(4) . . . 15_556 ?
C32 O31 C37 C34 54(6) 14_456 . . 15_556 ?
C34 O31 C37 C34 146(3) . . . 15_556 ?
C33 O31 C37 C34 110(3) 14_456 . . 15_556 ?
C35 O31 C37 C34 21(2) 15_556 . . 15_556 ?
C37 O31 C37 C32 -22(7) 14_456 . . . ?
C34 O31 C37 C32 -149(7) 15_556 . . . ?
C36 O31 C37 C32 17(6) . . . . ?
C33 O31 C37 C32 36(6) . . . . ?
C32 O31 C37 C32 -95(9) 14_456 . . . ?
C34 O31 C37 C32 -4(6) . . . . ?
C33 O31 C37 C32 -39(6) 14_456 . . . ?
C35 O31 C37 C32 -128(6) 15_556 . . . ?
C37 O31 C37 C36 108(3) 14_456 . . 15_556 ?
C34 O31 C37 C36 -20(2) 15_556 . . 15_556 ?
C36 O31 C37 C36 147(2) . . . 15_556 ?
C33 O31 C37 C36 165(3) . . . 15_556 ?
C32 O31 C37 C36 34(6) 14_456 . . 15_556 ?
C34 O31 C37 C36 125.8(18) . . . 15_556 ?
C33 O31 C37 C36 91(2) 14_456 . . 15_556 ?
C35 O31 C37 C36 1.5(18) 15_556 . . 15_556 ?
C37 O31 C37 C33 90(3) 14_456 . . 15_556 ?
C34 O31 C37 C33 -38(2) 15_556 . . 15_556 ?
C36 O31 C37 C33 128.5(18) . . . 15_556 ?
C33 O31 C37 C33 147(4) . . . 15_556 ?
C32 O31 C37 C33 16(6) 14_456 . . 15_556 ?
C34 O31 C37 C33 107.7(18) . . . 15_556 ?
C33 O31 C37 C33 73(3) 14_456 . . 15_556 ?
C35 O31 C37 C33 -16.6(16) 15_556 . . 15_556 ?
C37 O31 C37 C36 -39(3) 14_456 . . . ?
C34 O31 C37 C36 -166(3) 15_556 . . . ?
C33 O31 C37 C36 19(3) . . . . ?
C32 O31 C37 C36 -112(6) 14_456 . . . ?
C34 O31 C37 C36 -20.9(15) . . . . ?
C33 O31 C37 C36 -56(2) 14_456 . . . ?
C35 O31 C37 C36 -145.1(18) 15_556 . . . ?
C37 O31 C37 C35 106(3) 14_456 . . 15_556 ?
C34 O31 C37 C35 -21(2) 15_556 . . 15_556 ?
C36 O31 C37 C35 145.1(18) . . . 15_556 ?
C33 O31 C37 C35 164(3) . . . 15_556 ?
C32 O31 C37 C35 33(6) 14_456 . . 15_556 ?
C34 O31 C37 C35 124.2(16) . . . 15_556 ?
C33 O31 C37 C35 89(2) 14_456 . . 15_556 ?
C37 O31 C37 C34 55(3) 14_456 . . 2_665 ?
C34 O31 C37 C34 -72(3) 15_556 . . 2_665 ?
C36 O31 C37 C34 94(3) . . . 2_665 ?
C33 O31 C37 C34 113(4) . . . 2_665 ?
C32 O31 C37 C34 -18(6) 14_456 . . 2_665 ?
C34 O31 C37 C34 73(3) . . . 2_665 ?
C33 O31 C37 C34 38(4) 14_456 . . 2_665 ?
C35 O31 C37 C34 -51(2) 15_556 . . 2_665 ?
C35 C36 C37 C33 -125(11) . . . . ?
C34 C36 C37 C33 156(12) . . . . ?
O31 C36 C37 C33 79(10) . . . . ?
C37 C36 C37 C33 99(10) 14_456 . . . ?
C34 C36 C37 C33 88(10) 15_556 . . . ?
C32 C36 C37 C33 -118(11) . . . . ?
C33 C36 C37 C33 124(10) 14_456 . . . ?
C32 C36 C37 C33 108(10) 14_456 . . . ?
C35 C36 C37 O31 42(5) . . . 15_556 ?
C33 C36 C37 O31 167(11) . . . 15_556 ?
C34 C36 C37 O31 -37(7) . . . 15_556 ?
O31 C36 C37 O31 -113(4) . . . 15_556 ?
C37 C36 C37 O31 -94(4) 14_456 . . 15_556 ?
C34 C36 C37 O31 -105(4) 15_556 . . 15_556 ?
C32 C36 C37 O31 49(6) . . . 15_556 ?
C33 C36 C37 O31 -69(5) 14_456 . . 15_556 ?
C32 C36 C37 O31 -84(5) 14_456 . . 15_556 ?
C35 C36 C37 C34 147(3) . . . 15_556 ?
C33 C36 C37 C34 -88(10) . . . 15_556 ?
C34 C36 C37 C34 68(5) . . . 15_556 ?
O31 C36 C37 C34 -8.3(18) . . . 15_556 ?
C37 C36 C37 C34 11(3) 14_456 . . 15_556 ?
C32 C36 C37 C34 155(6) . . . 15_556 ?
C33 C36 C37 C34 36(2) 14_456 . . 15_556 ?
C32 C36 C37 C34 21(3) 14_456 . . 15_556 ?
C35 C36 C37 C32 -7(7) . . . . ?
C33 C36 C37 C32 118(11) . . . . ?
C34 C36 C37 C32 -86(8) . . . . ?
O31 C36 C37 C32 -163(6) . . . . ?
C37 C36 C37 C32 -143(6) 14_456 . . . ?
C34 C36 C37 C32 -155(6) 15_556 . . . ?
C33 C36 C37 C32 -118(6) 14_456 . . . ?
C32 C36 C37 C32 -134(8) 14_456 . . . ?
C35 C36 C37 C36 117(3) . . . 15_556 ?
C33 C36 C37 C36 -118(10) . . . 15_556 ?
C34 C36 C37 C36 38(5) . . . 15_556 ?
O31 C36 C37 C36 -39(3) . . . 15_556 ?
C37 C36 C37 C36 -19(3) 14_456 . . 15_556 ?
C34 C36 C37 C36 -30(2) 15_556 . . 15_556 ?
C32 C36 C37 C36 124(6) . . . 15_556 ?
C33 C36 C37 C36 6(3) 14_456 . . 15_556 ?
C32 C36 C37 C36 -10(4) 14_456 . . 15_556 ?
C35 C36 C37 O31 156(4) . . . . ?
C33 C36 C37 O31 -79(10) . . . . ?
C34 C36 C37 O31 76(5) . . . . ?
C37 C36 C37 O31 19.7(19) 14_456 . . . ?
C34 C36 C37 O31 8.3(18) 15_556 . . . ?
C32 C36 C37 O31 163(6) . . . . ?
C33 C36 C37 O31 44.4(17) 14_456 . . . ?
C32 C36 C37 O31 29(3) 14_456 . . . ?
C35 C36 C37 C33 85(4) . . . 15_556 ?
C33 C36 C37 C33 -150(10) . . . 15_556 ?
C34 C36 C37 C33 6(6) . . . 15_556 ?
O31 C36 C37 C33 -71(2) . . . 15_556 ?
C37 C36 C37 C33 -51(3) 14_456 . . 15_556 ?
C34 C36 C37 C33 -63(2) 15_556 . . 15_556 ?
C32 C36 C37 C33 92(6) . . . 15_556 ?
C33 C36 C37 C33 -26(3) 14_456 . . 15_556 ?
C32 C36 C37 C33 -42(4) 14_456 . . 15_556 ?
C35 C36 C37 C35 125(3) . . . 15_556 ?
C33 C36 C37 C35 -110(10) . . . 15_556 ?
C34 C36 C37 C35 45(5) . . . 15_556 ?
O31 C36 C37 C35 -31.1(18) . . . 15_556 ?
C37 C36 C37 C35 -11(2) 14_456 . . 15_556 ?
C34 C36 C37 C35 -22.8(17) 15_556 . . 15_556 ?
C32 C36 C37 C35 132(6) . . . 15_556 ?
C33 C36 C37 C35 13(2) 14_456 . . 15_556 ?
C32 C36 C37 C35 -2(3) 14_456 . . 15_556 ?
C35 C36 C37 C34 41(4) . . . 2_665 ?
C33 C36 C37 C34 166(10) . . . 2_665 ?
C34 C36 C37 C34 -38(6) . . . 2_665 ?
O31 C36 C37 C34 -115(2) . . . 2_665 ?
C37 C36 C37 C34 -95(3) 14_456 . . 2_665 ?
C34 C36 C37 C34 -106(3) 15_556 . . 2_665 ?
C32 C36 C37 C34 48(6) . . . 2_665 ?
C33 C36 C37 C34 -70(3) 14_456 . . 2_665 ?
C32 C36 C37 C34 -86(4) 14_456 . . 2_665 ?
C37 C32 C38 C39 -100(28) . . . . ?
C33 C32 C38 C39 -34(29) . . . . ?
O31 C32 C38 C39 -146(20) 15_556 . . . ?
C35 C32 C38 C39 -9(23) . . . . ?
C36 C32 C38 C39 -23(25) . . . . ?
C34 C32 C38 C39 -153(22) 2_665 . . . ?
C34 C32 C38 C39 -77(25) 15_556 . . . ?
C35 C32 C38 C39 -164(25) 2_665 . . . ?
C36 C32 C38 C39 -114(22) 15_556 . . . ?
C37 C32 C38 C38 -83(22) . . . 3_565 ?
C33 C32 C38 C38 -17(15) . . . 3_565 ?
O31 C32 C38 C38 -129(8) 15_556 . . 3_565 ?
C35 C32 C38 C38 8(6) . . . 3_565 ?
C36 C32 C38 C38 -6(9) . . . 3_565 ?
C34 C32 C38 C38 -136(5) 2_665 . . 3_565 ?
C34 C32 C38 C38 -60(13) 15_556 . . 3_565 ?
C35 C32 C38 C38 -147(6) 2_665 . . 3_565 ?
C36 C32 C38 C38 -97(10) 15_556 . . 3_565 ?
C37 C32 C38 C38 -12(41) . . . 2_665 ?
C33 C32 C38 C38 54(32) . . . 2_665 ?
O31 C32 C38 C38 -58(29) 15_556 . . 2_665 ?
C35 C32 C38 C38 79(26) . . . 2_665 ?
C36 C32 C38 C38 66(27) . . . 2_665 ?
C34 C32 C38 C38 -65(26) 2_665 . . 2_665 ?
C34 C32 C38 C38 11(33) 15_556 . . 2_665 ?
C35 C32 C38 C38 -75(25) 2_665 . . 2_665 ?
C36 C32 C38 C38 -25(30) 15_556 . . 2_665 ?
C37 C32 C38 C35 64(20) . . . 2_665 ?
C33 C32 C38 C35 129(11) . . . 2_665 ?
O31 C32 C38 C35 18(9) 15_556 . . 2_665 ?
C35 C32 C38 C35 154(5) . . . 2_665 ?
C36 C32 C38 C35 141(5) . . . 2_665 ?
C34 C32 C38 C35 11(4) 2_665 . . 2_665 ?
C34 C32 C38 C35 86(10) 15_556 . . 2_665 ?
C36 C32 C38 C35 50(8) 15_556 . . 2_665 ?
C37 C32 C38 C35 -91(20) . . . . ?
C33 C32 C38 C35 -25(9) . . . . ?
O31 C32 C38 C35 -137(9) 15_556 . . . ?
C36 C32 C38 C35 -13(3) . . . . ?
C34 C32 C38 C35 -144(5) 2_665 . . . ?
C34 C32 C38 C35 -68(9) 15_556 . . . ?
C35 C32 C38 C35 -154(5) 2_665 . . . ?
C36 C32 C38 C35 -104(8) 15_556 . . . ?
C36 C35 C38 C39 -155(7) . . . . ?
C34 C35 C38 C39 -82(8) . . . . ?
C38 C35 C38 C39 -14(8) 3_565 . . . ?
C33 C35 C38 C39 -169(8) . . . . ?
C32 C35 C38 C39 176(11) . . . . ?
C37 C35 C38 C39 -118(7) 14_456 . . . ?
O31 C35 C38 C39 -55(8) 14_456 . . . ?
C32 C35 C38 C39 -30(7) 3_565 . . . ?
C36 C35 C38 C32 30(7) . . . . ?
C34 C35 C38 C32 102(7) . . . . ?
C38 C35 C38 C32 171(7) 3_565 . . . ?
C33 C35 C38 C32 16(6) . . . . ?
C37 C35 C38 C32 66(7) 14_456 . . . ?
O31 C35 C38 C32 129(6) 14_456 . . . ?
C32 C35 C38 C32 154(9) 3_565 . . . ?
C39 C35 C38 C32 -176(11) . . . . ?
C36 C35 C38 C38 -141(5) . . . 3_565 ?
C34 C35 C38 C38 -68(4) . . . 3_565 ?
C33 C35 C38 C38 -155(3) . . . 3_565 ?
C32 C35 C38 C38 -171(7) . . . 3_565 ?
C37 C35 C38 C38 -104(4) 14_456 . . 3_565 ?
O31 C35 C38 C38 -41(3) 14_456 . . 3_565 ?
C32 C35 C38 C38 -17(4) 3_565 . . 3_565 ?
C39 C35 C38 C38 14(8) . . . 3_565 ?
C36 C35 C38 C38 -123(4) . . . 2_665 ?
C34 C35 C38 C38 -51(5) . . . 2_665 ?
C38 C35 C38 C38 18(3) 3_565 . . 2_665 ?
C33 C35 C38 C38 -137(3) . . . 2_665 ?
C32 C35 C38 C38 -153(7) . . . 2_665 ?
C37 C35 C38 C38 -87(3) 14_456 . . 2_665 ?
O31 C35 C38 C38 -24(3) 14_456 . . 2_665 ?
C32 C35 C38 C38 1(4) 3_565 . . 2_665 ?
C39 C35 C38 C38 31(7) . . . 2_665 ?
C36 C35 C38 C35 -16(10) . . . 2_665 ?
C34 C35 C38 C35 57(10) . . . 2_665 ?
C38 C35 C38 C35 125(9) 3_565 . . 2_665 ?
C33 C35 C38 C35 -30(8) . . . 2_665 ?
C32 C35 C38 C35 -46(8) . . . 2_665 ?
C37 C35 C38 C35 21(10) 14_456 . . 2_665 ?
O31 C35 C38 C35 84(9) 14_456 . . 2_665 ?
C32 C35 C38 C35 108(10) 3_565 . . 2_665 ?
C39 C35 C38 C35 139(15) . . . 2_665 ?
C32 C38 C39 C38 135(15) . . . 2_665 ?
C38 C38 C39 C38 109(16) 3_565 . . 2_665 ?
C35 C38 C39 C38 -26(15) 2_665 . . 2_665 ?
C35 C38 C39 C38 126(7) . . . 2_665 ?
C32 C38 C39 C38 26(29) . . . 3_565 ?
C38 C38 C39 C38 -109(16) 2_665 . . 3_565 ?
C35 C38 C39 C38 -135(2) 2_665 . . 3_565 ?
C35 C38 C39 C38 17(10) . . . 3_565 ?
C32 C38 C39 C35 8(21) . . . . ?
C38 C38 C39 C35 -17(10) 3_565 . . . ?
C38 C38 C39 C35 -126(7) 2_665 . . . ?
C35 C38 C39 C35 -153(9) 2_665 . . . ?
C32 C38 C39 C35 100(21) . . . 3_565 ?
C38 C38 C39 C35 74(13) 3_565 . . 3_565 ?
C38 C38 C39 C35 -35(9) 2_665 . . 3_565 ?
C35 C38 C39 C35 -61(11) 2_665 . . 3_565 ?
C35 C38 C39 C35 92(5) . . . 3_565 ?
C32 C38 C39 C35 161(28) . . . 2_665 ?
C38 C38 C39 C35 135(2) 3_565 . . 2_665 ?
C38 C38 C39 C35 26(15) 2_665 . . 2_665 ?
C35 C38 C39 C35 153(9) . . . 2_665 ?

_refine_diff_density_max         0.374
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.081

####################################################################### 
# 
# 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_yt1412d
_database_code_depnum_ccdc_archive 'CCDC 1456536'
_audit_update_record             
;
2016-02-29 deposited with the CCDC.
2016-05-16 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C39 H42 O3'
_chemical_formula_moiety         'C39 H42 O3'
_chemical_formula_weight         558.76
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      trigonal
_space_group_name_H-M_alt        'R -3:H'
_space_group_name_Hall           '-R 3'
_space_group_IT_number           148
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -Y,+X-Y,+Z
3 -X+Y,-X,+Z
4 -X,-Y,-Z
5 +Y,-X+Y,-Z
6 +X-Y,+X,-Z
7 2/3+X,1/3+Y,1/3+Z
8 2/3-Y,1/3+X-Y,1/3+Z
9 2/3-X+Y,1/3-X,1/3+Z
10 2/3-X,1/3-Y,1/3-Z
11 2/3+Y,1/3-X+Y,1/3-Z
12 2/3+X-Y,1/3+X,1/3-Z
13 1/3+X,2/3+Y,2/3+Z
14 1/3-Y,2/3+X-Y,2/3+Z
15 1/3-X+Y,2/3-X,2/3+Z
16 1/3-X,2/3-Y,2/3-Z
17 1/3+Y,2/3-X+Y,2/3-Z
18 1/3+X-Y,2/3+X,2/3-Z
#------------------------------------------------------------------------------
_cell_length_a                   19.3942(14)
_cell_length_b                   19.3942(14)
_cell_length_c                   16.5448(6)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_volume                     5389.4(6)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    17710
_cell_measurement_theta_min      3.75
_cell_measurement_theta_max      68.19
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.033
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1800.00
_exptl_absorpt_coefficient_mu    0.496
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_correction_T_max  0.906

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            20857
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_theta_max         68.185
_diffrn_reflns_theta_min         3.750
_diffrn_reflns_theta_full        67.687
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             2193
_reflns_number_gt                1984
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0647
_refine_ls_wR_factor_ref         0.1455
_refine_ls_wR_factor_gt          0.1425
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         2193
_refine_ls_number_parameters     127
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0301P)²+21.7109P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.33
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0492 0.0322
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.55367(9) 0.28223(9) 0.04810(9) 0.0227(4) Uani 1 18 d . . .
C1 C 0.54317(14) 0.15214(13) 0.03476(14) 0.0240(5) Uani 1 18 d . . .
C2 C 0.51529(13) 0.20359(13) 0.07341(14) 0.0229(5) Uani 1 18 d . . .
C3 C 0.46190(14) 0.19047(14) 0.13144(14) 0.0267(5) Uani 1 18 d . . .
C4 C 0.46405(13) 0.26469(14) 0.14608(14) 0.0249(5) Uani 1 18 d . . .
C5 C 0.42503(14) 0.29077(14) 0.19790(14) 0.0287(5) Uani 1 18 d . . .
C6 C 0.44354(13) 0.36990(15) 0.19578(14) 0.0278(5) Uani 1 18 d . . .
C7 C 0.50133(13) 0.42147(14) 0.14011(14) 0.0252(5) Uani 1 18 d . . .
C8 C 0.54217(13) 0.39806(14) 0.08819(13) 0.0226(5) Uani 1 18 d . . .
C9 C 0.52147(13) 0.31880(14) 0.09329(13) 0.0219(5) Uani 1 18 d . . .
C10 C 0.40283(15) 0.40194(16) 0.25090(16) 0.0365(6) Uani 1 18 d . . .
C11 C 0.3664(2) 0.3488(2) 0.32556(19) 0.0570(9) Uani 1 18 d . . .
C12 C 0.3349(2) 0.4019(2) 0.2049(2) 0.0620(10) Uani 1 18 d . . .
C13 C 0.4610(2) 0.4858(2) 0.2787(3) 0.0906(17) Uani 1 18 d . . .
H1A H 0.56862 0.1756 -0.01772 0.0288 Uiso 1 18 calc R . .
H1B H 0.49685 0.09873 0.02421 0.0288 Uiso 1 18 calc R . .
H3 H 0.42877 0.14131 0.158 0.0320 Uiso 1 18 calc R . .
H5 H 0.38594 0.25459 0.23453 0.0344 Uiso 1 18 calc R . .
H7 H 0.51303 0.47521 0.13793 0.0302 Uiso 1 18 calc R . .
H11A H 0.32861 0.29435 0.30826 0.0684 Uiso 1 18 calc R . .
H11B H 0.40876 0.34876 0.35779 0.0684 Uiso 1 18 calc R . .
H11C H 0.33853 0.36941 0.35828 0.0684 Uiso 1 18 calc R . .
H12A H 0.29723 0.34765 0.18694 0.0744 Uiso 1 18 calc R . .
H12B H 0.30751 0.42096 0.24042 0.0744 Uiso 1 18 calc R . .
H12C H 0.35619 0.43701 0.15785 0.0744 Uiso 1 18 calc R . .
H13A H 0.50479 0.48586 0.3083 0.1087 Uiso 1 18 calc R . .
H13B H 0.48225 0.52087 0.23156 0.1087 Uiso 1 18 calc R . .
H13C H 0.43356 0.50483 0.31414 0.1087 Uiso 1 18 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
O1 C2 1.386(3) yes . .
O1 C9 1.377(4) yes . .
C1 C2 1.495(4) yes . .
C1 C8 1.511(3) yes . 2_655
C2 C3 1.340(4) yes . .
C3 C4 1.440(4) yes . .
C4 C5 1.395(4) yes . .
C4 C9 1.391(3) yes . .
C5 C6 1.391(4) yes . .
C6 C7 1.408(3) yes . .
C6 C10 1.527(4) yes . .
C7 C8 1.390(4) yes . .
C8 C9 1.384(4) yes . .
C10 C11 1.536(4) yes . .
C10 C12 1.521(6) yes . .
C10 C13 1.514(4) yes . .
C1 H1A 0.990 no . .
C1 H1B 0.990 no . .
C3 H3 0.950 no . .
C5 H5 0.950 no . .
C7 H7 0.950 no . .
C11 H11A 0.980 no . .
C11 H11B 0.980 no . .
C11 H11C 0.980 no . .
C12 H12A 0.980 no . .
C12 H12B 0.980 no . .
C12 H12C 0.980 no . .
C13 H13A 0.980 no . .
C13 H13B 0.980 no . .
C13 H13C 0.980 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C2 O1 C9 105.70(17) yes . . .
C2 C1 C8 111.20(19) yes . . 2_655
O1 C2 C1 115.51(19) yes . . .
O1 C2 C3 111.4(2) yes . . .
C1 C2 C3 133.0(2) yes . . .
C2 C3 C4 107.3(2) yes . . .
C3 C4 C5 135.7(2) yes . . .
C3 C4 C9 105.1(2) yes . . .
C5 C4 C9 119.1(2) yes . . .
C4 C5 C6 119.8(2) yes . . .
C5 C6 C7 118.3(3) yes . . .
C5 C6 C10 122.2(2) yes . . .
C7 C6 C10 119.4(3) yes . . .
C6 C7 C8 123.6(3) yes . . .
C1 C8 C7 121.9(2) yes 3_665 . .
C1 C8 C9 122.5(2) yes 3_665 . .
C7 C8 C9 115.41(19) yes . . .
O1 C9 C4 110.5(2) yes . . .
O1 C9 C8 125.80(19) yes . . .
C4 C9 C8 123.7(3) yes . . .
C6 C10 C11 111.4(3) yes . . .
C6 C10 C12 109.0(2) yes . . .
C6 C10 C13 111.0(2) yes . . .
C11 C10 C12 107.1(3) yes . . .
C11 C10 C13 108.8(3) yes . . .
C12 C10 C13 109.4(3) yes . . .
C2 C1 H1A 109.384 no . . .
C2 C1 H1B 109.383 no . . .
C8 C1 H1A 109.397 no 2_655 . .
C8 C1 H1B 109.391 no 2_655 . .
H1A C1 H1B 108.020 no . . .
C2 C3 H3 126.353 no . . .
C4 C3 H3 126.345 no . . .
C4 C5 H5 120.098 no . . .
C6 C5 H5 120.099 no . . .
C6 C7 H7 118.204 no . . .
C8 C7 H7 118.195 no . . .
C10 C11 H11A 109.479 no . . .
C10 C11 H11B 109.480 no . . .
C10 C11 H11C 109.454 no . . .
H11A C11 H11B 109.486 no . . .
H11A C11 H11C 109.462 no . . .
H11B C11 H11C 109.466 no . . .
C10 C12 H12A 109.481 no . . .
C10 C12 H12B 109.463 no . . .
C10 C12 H12C 109.470 no . . .
H12A C12 H12B 109.472 no . . .
H12A C12 H12C 109.478 no . . .
H12B C12 H12C 109.464 no . . .
C10 C13 H13A 109.475 no . . .
C10 C13 H13B 109.461 no . . .
C10 C13 H13C 109.466 no . . .
H13A C13 H13B 109.469 no . . .
H13A C13 H13C 109.482 no . . .
H13B C13 H13C 109.475 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C2 O1 C9 C4 0.0(2) no . . . .
C2 O1 C9 C8 -179.97(19) no . . . .
C9 O1 C2 C1 -177.50(17) no . . . .
C9 O1 C2 C3 -0.2(2) no . . . .
C2 C1 C8 C7 95.6(2) no . . 2_655 2_655
C2 C1 C8 C9 -79.4(2) no . . 2_655 2_655
C8 C1 C2 O1 98.0(2) no 2_655 . . .
C8 C1 C2 C3 -78.6(3) no 2_655 . . .
O1 C2 C3 C4 0.2(3) no . . . .
C1 C2 C3 C4 176.9(2) no . . . .
C2 C3 C4 C5 -179.2(2) no . . . .
C2 C3 C4 C9 -0.2(3) no . . . .
C3 C4 C5 C6 179.3(2) no . . . .
C3 C4 C9 O1 0.1(3) no . . . .
C3 C4 C9 C8 -179.90(19) no . . . .
C5 C4 C9 O1 179.3(2) no . . . .
C5 C4 C9 C8 -0.7(3) no . . . .
C9 C4 C5 C6 0.4(3) no . . . .
C4 C5 C6 C7 0.6(3) no . . . .
C4 C5 C6 C10 179.93(19) no . . . .
C5 C6 C7 C8 -1.4(3) no . . . .
C5 C6 C10 C11 21.3(3) no . . . .
C5 C6 C10 C12 -96.7(3) no . . . .
C5 C6 C10 C13 142.7(2) no . . . .
C7 C6 C10 C11 -159.35(19) no . . . .
C7 C6 C10 C12 82.7(2) no . . . .
C7 C6 C10 C13 -37.9(3) no . . . .
C10 C6 C7 C8 179.2(2) no . . . .
C6 C7 C8 C1 -174.3(2) no . . . 3_665
C6 C7 C8 C9 1.1(3) no . . . .
C1 C8 C9 O1 -4.6(4) no 3_665 . . .
C1 C8 C9 C4 175.3(2) no 3_665 . . .
C7 C8 C9 O1 180.0(2) no . . . .
C7 C8 C9 C4 -0.0(3) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
O1 O1 3.292(2) no . 2_655
O1 O1 3.292(2) no . 3_665
O1 C1 3.006(3) no . 3_665
O1 C2 3.487(3) no . 3_665
O1 C5 3.579(3) no . .
O1 C8 3.317(3) no . 2_655
O1 C9 3.588(3) no . 2_655
C1 C9 3.595(4) no . .
C2 C7 3.380(4) no . 2_655
C2 C8 3.548(4) no . .
C2 C9 3.243(3) no . 2_655
C3 C8 3.588(4) no . .
C3 C8 3.337(4) no . 2_655
C4 C7 2.753(4) no . .
C5 C8 2.839(3) no . .
C5 C11 2.881(5) no . .
C5 C12 3.388(6) no . .
C6 C9 2.764(4) no . .
C7 C12 3.238(5) no . .
C7 C13 2.898(5) no . .
O1 H1A 2.4792 no . .
O1 H1A 2.7625 no . 3_665
O1 H1B 3.1803 no . .
O1 H3 3.1659 no . .
C1 H3 2.9425 no . .
C1 H7 2.6770 no . 2_655
C2 H7 3.4788 no . 2_655
C3 H1A 3.3248 no . .
C3 H1B 2.8246 no . .
C3 H5 2.9082 no . .
C5 H3 3.0089 no . .
C5 H7 3.2539 no . .
C5 H11A 2.6392 no . .
C5 H11B 2.9525 no . .
C5 H12A 3.1824 no . .
C6 H11A 2.7042 no . .
C6 H11B 2.7443 no . .
C6 H11C 3.3700 no . .
C6 H12A 2.6523 no . .
C6 H12B 3.3315 no . .
C6 H12C 2.6763 no . .
C6 H13A 2.6950 no . .
C6 H13B 2.6998 no . .
C6 H13C 3.3506 no . .
C7 H1A 3.2650 no . 3_665
C7 H1B 2.6268 no . 3_665
C7 H5 3.2681 no . .
C7 H12A 3.5569 no . .
C7 H12C 2.9915 no . .
C7 H13A 3.0370 no . .
C7 H13B 2.6184 no . .
C8 H3 3.5262 no . 3_665
C9 H1A 2.6963 no . 3_665
C9 H1B 3.3084 no . 3_665
C9 H3 3.1685 no . .
C9 H5 3.2630 no . .
C9 H7 3.2048 no . .
C10 H5 2.7224 no . .
C10 H7 2.6540 no . .
C11 H5 2.5383 no . .
C11 H12A 2.6513 no . .
C11 H12B 2.6163 no . .
C11 H12C 3.3171 no . .
C11 H13A 2.6865 no . .
C11 H13B 3.3325 no . .
C11 H13C 2.6359 no . .
C12 H5 3.4939 no . .
C12 H7 3.2052 no . .
C12 H11A 2.6517 no . .
C12 H11B 3.3142 no . .
C12 H11C 2.6234 no . .
C12 H13A 3.3267 no . .
C12 H13B 2.6630 no . .
C12 H13C 2.6630 no . .
C13 H7 2.5865 no . .
C13 H11A 3.3290 no . .
C13 H11B 2.6661 no . .
C13 H11C 2.6661 no . .
C13 H12A 3.3255 no . .
C13 H12B 2.6645 no . .
C13 H12C 2.6645 no . .
H1A H7 3.4962 no . 2_655
H1B H3 2.9009 no . .
H1B H7 2.4226 no . 2_655
H3 H5 2.9908 no . .
H3 H7 3.3681 no . 2_655
H5 H11A 2.0436 no . .
H5 H11B 2.6233 no . .
H5 H11C 3.4704 no . .
H5 H12A 3.1532 no . .
H7 H12C 2.7670 no . .
H7 H13A 2.8366 no . .
H7 H13B 2.0171 no . .
H7 H13C 3.4771 no . .
H11A H12A 2.4692 no . .
H11A H12B 2.9089 no . .
H11A H12C 3.5572 no . .
H11A H13A 3.5748 no . .
H11A H13C 3.5365 no . .
H11B H12A 3.5528 no . .
H11B H12B 3.5124 no . .
H11B H13A 2.5014 no . .
H11B H13B 3.5745 no . .
H11B H13C 2.9084 no . .
H11C H12A 2.9185 no . .
H11C H12B 2.4011 no . .
H11C H12C 3.5190 no . .
H11C H13A 2.9832 no . .
H11C H13B 3.5505 no . .
H11C H13C 2.4469 no . .
H12A H13B 3.5570 no . .
H12A H13C 3.5570 no . .
H12B H13A 3.5593 no . .
H12B H13B 2.9486 no . .
H12B H13C 2.4765 no . .
H12C H13A 3.5593 no . .
H12C H13B 2.4766 no . .
H12C H13C 2.9486 no . .
O1 H13C 2.7841 no . 15_554
C1 H11A 3.4549 no . 10_555
C1 H12B 3.4621 no . 13_544
C2 H11A 3.4166 no . 10_555
C2 H13C 2.9176 no . 15_554
C3 H5 3.1176 no . 10_555
C3 H11A 3.2312 no . 10_555
C3 H11B 3.5210 no . 18_545
C3 H12A 3.4538 no . 10_555
C3 H13C 3.0081 no . 15_554
C4 H11C 3.4150 no . 15_554
C4 H13C 2.9112 no . 15_554
C5 H3 3.1668 no . 10_555
C5 H11C 3.3105 no . 15_554
C5 H13A 3.3360 no . 18_545
C6 H11C 3.1250 no . 15_554
C7 H11C 3.0274 no . 15_554
C7 H12A 3.5192 no . 12_555
C8 H11C 3.1883 no . 15_554
C8 H12B 3.4020 no . 15_554
C8 H13C 3.4603 no . 15_554
C9 H11C 3.3415 no . 15_554
C9 H13C 2.7560 no . 15_554
C11 H1B 3.3271 no . 10_555
C11 H3 3.5630 no . 17_555
C11 H12A 3.4177 no . 8_555
C11 H13A 3.3552 no . 18_545
C12 H3 3.5619 no . 10_555
C12 H7 3.2515 no . 11_455
C12 H11C 3.4713 no . 15_554
C12 H13B 3.1240 no . 11_455
C13 H5 3.3263 no . 17_555
C13 H11A 3.3295 no . 17_555
H1A H12B 2.9683 no . 13_544
H1A H12C 3.2523 no . 5_555
H1B C11 3.3271 no . 10_555
H1B H11A 2.6942 no . 10_555
H1B H11C 3.1062 no . 10_555
H1B H12A 3.0955 no . 10_555
H1B H12B 3.4401 no . 10_555
H1B H12B 3.4931 no . 13_544
H1B H12C 3.1839 no . 5_555
H3 C5 3.1668 no . 10_555
H3 C11 3.5630 no . 18_545
H3 C12 3.5619 no . 10_555
H3 H5 2.6817 no . 10_555
H3 H11A 2.8946 no . 10_555
H3 H11B 2.7309 no . 18_545
H3 H11C 3.5628 no . 18_545
H3 H12A 2.6453 no . 10_555
H3 H13C 3.5802 no . 15_554
H5 C3 3.1176 no . 10_555
H5 C13 3.3263 no . 18_545
H5 H3 2.6817 no . 10_555
H5 H13A 2.4841 no . 18_545
H5 H13C 3.3695 no . 18_545
H7 C12 3.2515 no . 12_555
H7 H11C 3.4246 no . 15_554
H7 H12A 2.6596 no . 12_555
H7 H12B 2.9963 no . 12_555
H11A C1 3.4549 no . 10_555
H11A C2 3.4166 no . 10_555
H11A C3 3.2312 no . 10_555
H11A C13 3.3295 no . 18_545
H11A H1B 2.6942 no . 10_555
H11A H3 2.8946 no . 10_555
H11A H12A 3.5138 no . 8_555
H11A H12C 3.4559 no . 8_555
H11A H13A 2.7698 no . 18_545
H11A H13B 3.3072 no . 18_545
H11A H13C 3.3937 no . 18_545
H11B C3 3.5210 no . 17_555
H11B H3 2.7309 no . 17_555
H11B H12A 3.1087 no . 8_555
H11B H13A 3.0426 no . 18_545
H11C C4 3.4150 no . 8_555
H11C C5 3.3105 no . 8_555
H11C C6 3.1250 no . 8_555
H11C C7 3.0274 no . 8_555
H11C C8 3.1883 no . 8_555
H11C C9 3.3415 no . 8_555
H11C C12 3.4713 no . 8_555
H11C H1B 3.1062 no . 10_555
H11C H3 3.5628 no . 17_555
H11C H7 3.4246 no . 8_555
H11C H12A 3.0831 no . 8_555
H11C H12C 3.1058 no . 8_555
H12A C3 3.4538 no . 10_555
H12A C7 3.5192 no . 11_455
H12A C11 3.4177 no . 15_554
H12A H1B 3.0955 no . 10_555
H12A H3 2.6453 no . 10_555
H12A H7 2.6596 no . 11_455
H12A H11A 3.5138 no . 15_554
H12A H11B 3.1087 no . 15_554
H12A H11C 3.0831 no . 15_554
H12A H13B 2.7814 no . 11_455
H12B C1 3.4621 no . 7_455
H12B C8 3.4020 no . 8_555
H12B H1A 2.9683 no . 7_455
H12B H1B 3.4931 no . 7_455
H12B H1B 3.4401 no . 10_555
H12B H7 2.9963 no . 11_455
H12B H13B 3.0607 no . 11_455
H12C H1A 3.2523 no . 6_555
H12C H1B 3.1839 no . 6_555
H12C H11A 3.4559 no . 15_554
H12C H11C 3.1058 no . 15_554
H12C H13B 3.0041 no . 11_455
H13A C5 3.3360 no . 17_555
H13A C11 3.3552 no . 17_555
H13A H5 2.4841 no . 17_555
H13A H11A 2.7698 no . 17_555
H13A H11B 3.0426 no . 17_555
H13B C12 3.1240 no . 12_555
H13B H11A 3.3072 no . 17_555
H13B H12A 2.7814 no . 12_555
H13B H12B 3.0607 no . 12_555
H13B H12C 3.0041 no . 12_555
H13C O1 2.7841 no . 8_555
H13C C2 2.9176 no . 8_555
H13C C3 3.0081 no . 8_555
H13C C4 2.9112 no . 8_555
H13C C8 3.4603 no . 8_555
H13C C9 2.7560 no . 8_555
H13C H3 3.5802 no . 8_555
H13C H5 3.3695 no . 17_555
H13C H11A 3.3937 no . 17_555

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.




loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 203 63 ' '
2 0.333 0.667 0.167 136 63 ' '
3 0.667 0.333 0.333 204 63 ' '
4 0.000 0.000 0.500 135 63 ' '
5 0.333 0.667 0.667 204 63 ' '
6 0.667 0.333 0.833 136 63 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

#==============================================================================
#     End of CIF
#==============================================================================
