#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/10/4301076.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4301076
loop_
_publ_author_name
'Michael D. Pluth'
'Darren W. Johnson'
'Géza Szigethy'
'Anna V. Davis'
'Simon J. Teat'
'Allen G. Oliver'
'Robert G. Bergman'
'Kenneth N. Raymond'
_publ_section_title
;
Structural Consequences of Anionic Host-Cationic Guest Interactions in a
Supramolecular Assembly
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              111
_journal_page_last               120
_journal_paper_doi               10.1021/ic8012848
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety
;
'C179.75 H96 Co2.50 N16 O56.50 Ti4' 
;
_chemical_formula_sum            'C179.75 H96 Co2.5 N16 O56.5 Ti4'
_chemical_formula_weight         3722.60
_chemical_melting_point          ?
_chemical_name_common            'Ti4L6 cluster'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   20.5378(7)
_cell_length_b                   20.5378(7)
_cell_length_c                   169.966(11)
_cell_measurement_temperature    178(2)
_cell_volume                     62087(5)
_computing_cell_refinement       'SAINT v.7.07'
_computing_data_collection       'Bruker SMART v.5.054d'
_computing_data_reduction        'SAINT v.7.07'
_computing_molecular_graphics    'ORTEP-3 v.1.08, POV-Ray v3.6.1c.icl8.win32'
_computing_publication_material  'ORTEP-3 v.1.08, POV-Ray v3.6.1c.icl8.win32'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      178(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0933
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       141
_diffrn_reflns_limit_l_min       -141
_diffrn_reflns_number            42016
_diffrn_reflns_theta_full        17.25
_diffrn_reflns_theta_max         17.25
_diffrn_reflns_theta_min         1.44
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.420
_exptl_absorpt_correction_T_max  0.9513
_exptl_absorpt_correction_T_min  0.8738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       plate
_exptl_crystal_F_000             22724
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.938
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.836
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         4201
_refine_ls_number_restraints     275
_refine_ls_restrained_S_all      2.009
_refine_ls_R_factor_all          0.1923
_refine_ls_R_factor_gt           0.1569
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4246
_refine_ls_wR_factor_ref         0.4484
_reflns_number_gt                2811
_reflns_number_total             4201
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8012848_si_002_3.cif
_cod_data_source_block           Structure5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'C179.75 H96 Co2.50 N16 O56.50 Ti4'
_cod_database_code               4301076
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'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'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'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'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-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'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C01 C 0.8664(12) -0.1350(13) 0.41854(13) 0.088(6) Uiso 1 1 d DU . .
C02 C 0.8977(14) -0.1439(14) 0.42552(13) 0.090(7) Uiso 1 1 d DU . .
C03 C 0.8617(13) -0.2036(13) 0.43067(14) 0.111(8) Uiso 1 1 d DU . .
H03A H 0.8859 -0.2090 0.4352 0.133 Uiso 1 1 calc R . .
C04 C 0.7879(13) -0.2549(15) 0.42876(14) 0.125(8) Uiso 1 1 d DU . .
H04A H 0.7598 -0.2957 0.4322 0.149 Uiso 1 1 calc R . .
C05 C 0.7535(15) -0.2494(14) 0.42202(13) 0.117(8) Uiso 1 1 d DU . .
H05A H 0.7028 -0.2865 0.4209 0.140 Uiso 1 1 calc R . .
C06 C 0.7924(13) -0.1898(12) 0.41679(14) 0.106(7) Uiso 1 1 d DU . .
C08 C 0.7663(12) -0.1071(12) 0.39812(15) 0.101(7) Uiso 1 1 d DU . .
C09 C 0.6985(13) -0.1571(14) 0.39450(13) 0.109(8) Uiso 1 1 d DU . .
H09A H 0.6691 -0.2072 0.3964 0.131 Uiso 1 1 calc R . .
C10 C 0.6746(14) -0.1323(12) 0.38807(13) 0.111(8) Uiso 1 1 d DU . .
H10A H 0.6291 -0.1672 0.3855 0.133 Uiso 1 1 calc R . .
C11 C 0.7136(11) -0.0597(11) 0.38520(13) 0.093(7) Uiso 1 1 d DU . .
H11A H 0.6947 -0.0440 0.3810 0.111 Uiso 1 1 calc R . .
C12 C 0.7824(12) -0.0101(12) 0.38882(12) 0.095(7) Uiso 1 1 d DU . .
C13 C 0.8095(12) -0.0371(13) 0.39488(13) 0.098(7) Uiso 1 1 d DU . .
C14 C 0.8821(13) 0.0099(14) 0.39794(15) 0.122(8) Uiso 1 1 d DU . .
H14A H 0.9021 -0.0088 0.4018 0.147 Uiso 1 1 calc R . .
C15 C 0.9248(17) 0.0842(15) 0.39529(16) 0.127(13) Uiso 0.90(6) 1 d PDU . .
H15A H 0.9731 0.1172 0.3974 0.152 Uiso 1 1 calc R . .
C16 C 0.8943(13) 0.1084(15) 0.38941(14) 0.117(8) Uiso 1 1 d DU . .
H16A H 0.9239 0.1581 0.3874 0.140 Uiso 1 1 calc R . .
C17 C 0.8229(12) 0.0635(12) 0.38631(14) 0.090(6) Uiso 1 1 d DU . .
C19 C 0.7560(12) 0.1762(13) 0.37529(14) 0.083(6) Uiso 1 1 d U . .
C20 C 0.7617(14) 0.2478(15) 0.37607(15) 0.116(8) Uiso 1 1 d U . .
H20A H 0.7884 0.2821 0.3802 0.139 Uiso 1 1 calc R . .
C21 C 0.7252(13) 0.2618(14) 0.37029(15) 0.106(8) Uiso 1 1 d U . .
H21A H 0.7269 0.3087 0.3708 0.127 Uiso 1 1 calc R . .
C22 C 0.6874(14) 0.2215(14) 0.36409(15) 0.108(8) Uiso 1 1 d U . .
H22A H 0.6661 0.2390 0.3603 0.130 Uiso 1 1 calc R . .
C23 C 0.6816(14) 0.1490(14) 0.36370(15) 0.087(7) Uiso 1 1 d U . .
C24 C 0.7170(12) 0.1328(13) 0.36914(13) 0.081(6) Uiso 1 1 d U . .
C34 C 0.5793(12) -0.1329(12) 0.36731(11) 0.058(5) Uiso 1 1 d U . .
C35 C 0.5294(13) -0.1076(14) 0.36798(13) 0.084(6) Uiso 1 1 d U . .
C36 C 0.4584(14) -0.1514(14) 0.37226(14) 0.107(8) Uiso 1 1 d U . .
H36A H 0.4230 -0.1347 0.3726 0.128 Uiso 1 1 calc R . .
C37 C 0.4448(14) -0.2168(14) 0.37573(14) 0.105(8) Uiso 1 1 d U . .
H37A H 0.4017 -0.2441 0.3790 0.126 Uiso 1 1 calc R . .
C38 C 0.4937(13) -0.2430(13) 0.37454(12) 0.089(7) Uiso 1 1 d U . .
H38A H 0.4823 -0.2903 0.3767 0.106 Uiso 1 1 calc R . .
C39 C 0.5587(12) -0.2025(12) 0.37031(12) 0.071(6) Uiso 1 1 d U . .
C25 C 0.7102(12) 0.0081(11) 0.34443(14) 0.070(6) Uiso 1 1 d U . .
C26 C 0.6295(14) -0.0295(13) 0.34310(16) 0.088(6) Uiso 1 1 d U . .
C27 C 0.6033(15) -0.0513(14) 0.33548(15) 0.112(8) Uiso 1 1 d U . .
H27A H 0.5512 -0.0727 0.3343 0.134 Uiso 1 1 calc R . .
C28 C 0.6535(16) -0.0417(15) 0.32956(18) 0.133(9) Uiso 1 1 d U . .
H28A H 0.6340 -0.0628 0.3245 0.159 Uiso 1 1 calc R . .
C29 C 0.7317(15) -0.0024(14) 0.33057(15) 0.113(8) Uiso 1 1 d U . .
H29A H 0.7647 0.0084 0.3262 0.136 Uiso 1 1 calc R . .
C30 C 0.7595(12) 0.0205(11) 0.33823(12) 0.072(6) Uiso 1 1 d U . .
C41 C 0.7244(11) -0.2225(11) 0.36396(12) 0.067(5) Uiso 1 1 d U . .
C42 C 0.7302(12) -0.2721(12) 0.36872(13) 0.089(7) Uiso 1 1 d U . .
H42A H 0.7019 -0.2895 0.3735 0.107 Uiso 1 1 calc R . .
C43 C 0.7804(13) -0.2972(12) 0.36634(13) 0.092(7) Uiso 1 1 d U . .
H43A H 0.7847 -0.3327 0.3696 0.110 Uiso 1 1 calc R . .
C44 C 0.8223(12) -0.2730(11) 0.35974(12) 0.080(6) Uiso 1 1 d U . .
H44A H 0.8517 -0.2948 0.3582 0.095 Uiso 1 1 calc R . .
C45 C 0.8231(10) -0.2154(10) 0.35502(11) 0.060(6) Uiso 1 1 d U . .
C46 C 0.7724(11) -0.1895(11) 0.35729(11) 0.065(6) Uiso 1 1 d U . .
Ti2 Ti 1.0000 0.0000 0.42055(4) 0.092(3) Uani 1 3 d S . .
C32 C 0.9466(12) 0.1347(12) 0.34842(12) 0.068(6) Uiso 1 1 d U . .
C47 C 0.7690(12) -0.1344(11) 0.35227(12) 0.078(6) Uiso 1 1 d U . .
H47A H 0.7345 -0.1178 0.3535 0.094 Uiso 1 1 calc R . .
O12 O 0.5847(8) -0.3028(9) 0.37194(9) 0.100(5) Uani 1 1 d U . .
C33 C 1.0057(14) 0.1362(13) 0.34376(14) 0.101(8) Uiso 1 1 d U . .
Co2 Co 0.7228(3) 0.0561(3) 0.4167 0.131(2) Uani 1 2 d SG . .
C205 C 0.7174(12) -0.0375(6) 0.41277(8) 0.158(10) Uiso 1 1 d GU . .
H205 H 0.6873 -0.0867 0.4148 0.189 Uiso 1 1 calc R . .
C201 C 0.7920(10) 0.0151(12) 0.41511(10) 0.151(10) Uiso 1 1 d GU . .
H201 H 0.8205 0.0072 0.4190 0.182 Uiso 1 1 calc R . .
C202 C 0.8164(6) 0.0816(10) 0.41062(11) 0.161(10) Uiso 1 1 d GU . .
H202 H 0.8641 0.1260 0.4110 0.193 Uiso 1 1 calc R . .
C203 C 0.7569(12) 0.0700(12) 0.40548(4) 0.147(10) Uiso 1 1 d GU . .
H203 H 0.7580 0.1053 0.4018 0.176 Uiso 1 1 calc R . .
C204 C 0.6958(10) -0.0036(12) 0.40681(5) 0.157(10) Uiso 1 1 d GU . .
H204 H 0.6487 -0.0262 0.4042 0.189 Uiso 1 1 calc R . .
C48 C 0.8132(13) -0.1067(13) 0.34599(14) 0.096(7) Uiso 1 1 d U . .
H48A H 0.8105 -0.0696 0.3429 0.144 Uiso 1 1 calc R . .
Ti1 Ti 0.6430(2) 0.0028(2) 0.35899(2) 0.0727(17) Uani 1 1 d . . .
O06 O 0.7107(7) 0.0620(7) 0.36762(7) 0.072(4) Uani 1 1 d U . .
O07 O 0.7278(6) 0.0245(7) 0.35205(7) 0.062(4) Uani 1 1 d U . .
O10 O 0.6390(6) -0.0885(7) 0.36332(7) 0.060(4) Uani 1 1 d U . .
O05 O 0.6433(7) 0.0990(8) 0.35779(9) 0.088(5) Uani 1 1 d U . .
O08 O 0.5896(8) -0.0372(9) 0.34940(9) 0.097(5) Uani 1 1 d U . .
O09 O 0.8814(8) 0.0668(8) 0.33318(8) 0.089(5) Uani 1 1 d U . .
O02 O 0.9637(9) -0.0886(9) 0.42719(7) 0.094(5) Uani 1 1 d U . .
O11 O 0.5488(7) -0.0397(8) 0.36477(8) 0.084(4) Uani 1 1 d U . .
O01 O 0.9107(8) -0.0740(8) 0.41423(7) 0.090(5) Uani 1 1 d U . .
N04 N 0.6725(9) -0.1974(9) 0.36595(8) 0.064(4) Uani 1 1 d U . .
H04B H 0.6853 -0.1510 0.3647 0.077 Uiso 1 1 calc R . .
N03 N 0.8700(9) 0.0858(8) 0.34591(9) 0.064(4) Uani 1 1 d U . .
H40B H 0.8364 0.0710 0.3497 0.077 Uiso 1 1 calc R . .
N02 N 0.7932(10) 0.0962(12) 0.38134(12) 0.108(6) Uani 1 1 d U . .
H02B H 0.7713 0.0674 0.3772 0.129 Uiso 1 1 calc R . .
O03 O 0.6850(12) -0.2380(11) 0.40817(11) 0.157(8) Uani 1 1 d U . .
O04 O 0.8286(11) 0.2026(12) 0.38730(10) 0.142(7) Uani 1 1 d U . .
C31 C 0.8416(13) 0.0594(11) 0.33881(15) 0.066(6) Uiso 1 1 d U . .
C18 C 0.7885(16) 0.1593(17) 0.38105(19) 0.112(7) Uiso 1 1 d U . .
N01 N 0.7895(11) -0.1285(11) 0.40473(10) 0.102(6) Uani 1 1 d U . .
H01B H 0.8364 -0.0982 0.4061 0.123 Uiso 1 1 calc R . .
C07 C 0.7485(17) -0.1924(17) 0.40959(16) 0.106(7) Uiso 1 1 d U . .
C40 C 0.6085(13) -0.2375(14) 0.36945(12) 0.067(6) Uiso 1 1 d U . .
Co1 Co 1.0000 0.0000 0.37136(3) 0.095(2) Uani 1 3 d SGD . .
C101 C 0.9044(9) -0.0517(17) 0.37648(18) 0.117(10) Uiso 0.33 1 d PGDU . .
C102 C 0.9077(11) 0.000(2) 0.37070(16) 0.117(10) Uiso 0.33 1 d PGDU . .
C103 C 0.966(2) 0.0726(16) 0.3728(2) 0.117(10) Uiso 0.33 1 d PGDU . .
C104 C 0.9991(18) 0.0662(18) 0.37993(17) 0.117(10) Uiso 0.33 1 d PGDU . .
C105 C 0.9609(17) -0.011(2) 0.38218(7) 0.117(10) Uiso 0.33 1 d PGDU . .
C106 C 1.023(2) -0.0828(15) 0.3666(2) 0.117(10) Uiso 0.33 1 d PGDU . .
C107 C 1.0220(18) -0.035(2) 0.36054(11) 0.117(10) Uiso 0.33 1 d PGDU . .
C108 C 1.0783(15) 0.040(2) 0.36227(14) 0.117(10) Uiso 0.33 1 d PGDU . .
C109 C 1.1142(5) 0.039(2) 0.36939(19) 0.117(10) Uiso 0.33 1 d PGDU . .
C110 C 1.0801(18) -0.037(2) 0.37206(19) 0.117(10) Uiso 0.33 1 d PGDU . .
C10S C 1.0000 0.0000 0.3240(3) 0.131(16) Uiso 1 3 d SDU . .
C12S C 0.865(6) -0.084(6) 0.3150(6) 0.49(4) Uiso 1 1 d U . .
O12S O 0.795(4) -0.090(3) 0.3186(4) 0.46(3) Uiso 1 1 d U . .
C7S C 0.769(5) 0.156(4) 0.3137(4) 0.40(3) Uiso 1 1 d DU . .
C11S C 1.0000 0.0000 0.3080(3) 0.171(19) Uiso 1 3 d SDU . .
C8S C 0.735(3) 0.140(3) 0.3027(3) 0.28(2) Uiso 1 1 d DU . .
N2S N 0.769(3) 0.104(3) 0.3075(4) 0.35(2) Uiso 1 1 d DU . .
N3S N 0.983(6) -0.036(3) 0.3160(3) 0.154(19) Uiso 0.33 1 d PDU A -1
O1S O 0.5277(16) 0.0419(14) 0.38958(15) 0.173(9) Uiso 0.96(4) 1 d PU . .
O2S O 0.548(3) 0.027(2) 0.4015(3) 0.173(9) Uiso 0.50(3) 1 d PU . .
O3S O 0.598(4) 0.163(4) 0.3897(4) 0.173(9) Uiso 0.34(3) 1 d P . .
O4S O 0.651(4) -0.300(4) 0.4438(4) 0.173(9) Uiso 0.33(3) 1 d PU . .
O5S O 0.719(4) -0.253(4) 0.4494(4) 0.173(9) Uiso 0.33(3) 1 d PU . .
O6S O 0.3333 -0.3333 0.3921(8) 0.173(9) Uiso 0.28(6) 3 d SP . .
O7S O 1.0000 0.0000 0.4441(5) 0.173(9) Uiso 0.45(6) 3 d SP . .
O8S O 0.909(2) 0.098(2) 0.3180(2) 0.173(9) Uiso 0.51(4) 1 d P . .
O9S O 0.584(3) 0.075(3) 0.3944(3) 0.173(9) Uiso 0.49(4) 1 d PU . .
O10S O 0.582(3) 0.019(3) 0.3862(3) 0.173(9) Uiso 0.40(3) 1 d PU . .
O11S O 0.778(3) -0.435(3) 0.3426(3) 0.173(9) Uiso 0.43(4) 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2780 0.4460 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3490 0.9720 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O01 C01 C06 126(2) . . ?
O01 C01 C02 116(2) . . ?
C06 C01 C02 117(2) . . ?
O02 C02 C03 120(2) . . ?
O02 C02 C01 115(2) . . ?
C03 C02 C01 125(3) . . ?
C02 C03 C04 115(2) . . ?
C02 C03 H03A 122.5 . . ?
C04 C03 H03A 122.5 . . ?
C05 C04 C03 123(3) . . ?
C05 C04 H04A 118.6 . . ?
C03 C04 H04A 118.6 . . ?
C04 C05 C06 120(3) . . ?
C04 C05 H05A 119.8 . . ?
C06 C05 H05A 119.8 . . ?
C01 C06 C05 119(2) . . ?
C01 C06 C07 126(2) . . ?
C05 C06 C07 115(2) . . ?
C13 C08 N01 121(2) . . ?
C13 C08 C09 119(2) . . ?
N01 C08 C09 120(2) . . ?
C08 C09 C10 119(2) . . ?
C08 C09 H09A 120.6 . . ?
C10 C09 H09A 120.6 . . ?
C11 C10 C09 123(2) . . ?
C11 C10 H10A 118.3 . . ?
C09 C10 H10A 118.3 . . ?
C10 C11 C12 117(2) . . ?
C10 C11 H11A 121.3 . . ?
C12 C11 H11A 121.3 . . ?
C17 C12 C13 121(2) . . ?
C17 C12 C11 119.7(19) . . ?
C13 C12 C11 119(2) . . ?
C08 C13 C12 122(2) . . ?
C08 C13 C14 118(2) . . ?
C12 C13 C14 119(2) . . ?
C15 C14 C13 120(3) . . ?
C15 C14 H14A 120.1 . . ?
C13 C14 H14A 120.1 . . ?
C16 C15 C14 118(3) . . ?
C16 C15 H15A 121.0 . . ?
C14 C15 H15A 121.0 . . ?
C15 C16 C17 123(3) . . ?
C15 C16 H16A 118.4 . . ?
C17 C16 H16A 118.4 . . ?
C12 C17 C16 118(2) . . ?
C12 C17 N02 123(2) . . ?
C16 C17 N02 119(2) . . ?
C18 C19 C24 128(3) . . ?
C18 C19 C20 114(3) . . ?
C24 C19 C20 118(2) . . ?
C21 C20 C19 113(3) . . ?
C21 C20 H20A 123.7 . . ?
C19 C20 H20A 123.7 . . ?
C20 C21 C22 131(3) . . ?
C20 C21 H21A 114.3 . . ?
C22 C21 H21A 114.3 . . ?
C21 C22 C23 114(3) . . ?
C21 C22 H22A 123.1 . . ?
C23 C22 H22A 123.1 . . ?
O05 C23 C24 121(2) . . ?
O05 C23 C22 122(2) . . ?
C24 C23 C22 117(3) . . ?
C23 C24 O06 111(2) . . ?
C23 C24 C19 127(3) . . ?
O06 C24 C19 123(2) . . ?
O10 C34 C39 128.2(19) . . ?
O10 C34 C35 114(2) . . ?
C39 C34 C35 118(2) . . ?
O11 C35 C34 118(2) . . ?
O11 C35 C36 121(2) . . ?
C34 C35 C36 121(2) . . ?
C37 C36 C35 118(2) . . ?
C37 C36 H36A 121.0 . . ?
C35 C36 H36A 121.0 . . ?
C38 C37 C36 120(3) . . ?
C38 C37 H37A 120.2 . . ?
C36 C37 H37A 120.2 . . ?
C37 C38 C39 121(2) . . ?
C37 C38 H38A 119.3 . . ?
C39 C38 H38A 119.3 . . ?
C34 C39 C38 122(2) . . ?
C34 C39 C40 122(2) . . ?
C38 C39 C40 116(2) . . ?
O07 C25 C30 127.1(19) . . ?
O07 C25 C26 112.1(19) . . ?
C30 C25 C26 121(2) . . ?
O08 C26 C27 127(2) . . ?
O08 C26 C25 115(2) . . ?
C27 C26 C25 118(2) . . ?
C28 C27 C26 119(3) . . ?
C28 C27 H27A 120.3 . . ?
C26 C27 H27A 120.3 . . ?
C27 C28 C29 124(3) . . ?
C27 C28 H28A 118.2 . . ?
C29 C28 H28A 118.2 . . ?
C28 C29 C30 118(3) . . ?
C28 C29 H29A 121.2 . . ?
C30 C29 H29A 121.2 . . ?
C25 C30 C29 120(2) . . ?
C25 C30 C31 126(2) . . ?
C29 C30 C31 114(2) . . ?
C42 C41 C46 122(2) . . ?
C42 C41 N04 119.3(19) . . ?
C46 C41 N04 118.3(18) . . ?
C41 C42 C43 117(2) . . ?
C41 C42 H42A 121.5 . . ?
C43 C42 H42A 121.5 . . ?
C44 C43 C42 123(2) . . ?
C44 C43 H43A 118.4 . . ?
C42 C43 H43A 118.4 . . ?
C43 C44 C45 121(2) . . ?
C43 C44 H44A 119.5 . . ?
C45 C44 H44A 119.5 . . ?
C32 C45 C44 123(2) 2_645 . ?
C32 C45 C46 120.0(19) 2_645 . ?
C44 C45 C46 116.5(18) . . ?
C41 C46 C45 119.4(18) . . ?
C41 C46 C47 123.1(19) . . ?
C45 C46 C47 117.3(18) . . ?
O02 Ti2 O02 89.7(6) . 2_645 ?
O02 Ti2 O02 89.7(6) . 3_765 ?
O02 Ti2 O02 89.7(6) 2_645 3_765 ?
O02 Ti2 O01 167.3(6) . 3_765 ?
O02 Ti2 O01 97.5(6) 2_645 3_765 ?
O02 Ti2 O01 79.9(6) 3_765 3_765 ?
O02 Ti2 O01 97.5(6) . 2_645 ?
O02 Ti2 O01 79.9(6) 2_645 2_645 ?
O02 Ti2 O01 167.3(7) 3_765 2_645 ?
O01 Ti2 O01 94.1(5) 3_765 2_645 ?
O02 Ti2 O01 79.9(6) . . ?
O02 Ti2 O01 167.3(6) 2_645 . ?
O02 Ti2 O01 97.5(6) 3_765 . ?
O01 Ti2 O01 94.1(5) 3_765 . ?
O01 Ti2 O01 94.1(5) 2_645 . ?
C45 C32 C33 122(2) 3_765 . ?
C45 C32 N03 120.4(19) 3_765 . ?
C33 C32 N03 117.9(19) . . ?
C48 C47 C46 121(2) . . ?
C48 C47 H47A 119.4 . . ?
C46 C47 H47A 119.4 . . ?
C48 C33 C32 118(2) 3_765 . ?
C205 Co2 C205 118.4(3) 10_545 . ?
C205 Co2 C204 41.9(2) 10_545 10_545 ?
C205 Co2 C204 106.5(8) . 10_545 ?
C205 Co2 C204 106.5(8) 10_545 . ?
C205 Co2 C204 41.9(2) . . ?
C204 Co2 C204 126.7(4) 10_545 . ?
C205 Co2 C203 70.5(6) 10_545 10_545 ?
C205 Co2 C203 126.0(8) . 10_545 ?
C204 Co2 C203 41.8(2) 10_545 10_545 ?
C204 Co2 C203 165.3(6) . 10_545 ?
C205 Co2 C203 126.0(12) 10_545 . ?
C205 Co2 C203 70.5(3) . . ?
C204 Co2 C203 165.4(9) 10_545 . ?
C204 Co2 C203 41.77(6) . . ?
C203 Co2 C203 151.4(4) 10_545 . ?
C205 Co2 C201 153.4(9) 10_545 . ?
C205 Co2 C201 41.76(11) . . ?
C204 Co2 C201 117.7(13) 10_545 . ?
C204 Co2 C201 70.5(2) . . ?
C203 Co2 C201 105.5(9) 10_545 . ?
C203 Co2 C201 70.2(2) . . ?
C205 Co2 C201 41.8(6) 10_545 10_545 ?
C205 Co2 C201 153.4(4) . 10_545 ?
C204 Co2 C201 70.4(9) 10_545 10_545 ?
C204 Co2 C201 117.7(8) . 10_545 ?
C203 Co2 C201 70.2(3) 10_545 10_545 ?
C203 Co2 C201 105.5(9) . 10_545 ?
C201 Co2 C201 163.35(19) . 10_545 ?
C205 Co2 C202 70.3(4) 10_545 10_545 ?
C205 Co2 C202 164.1(10) . 10_545 ?
C204 Co2 C202 70.3(7) 10_545 10_545 ?
C204 Co2 C202 152.1(11) . 10_545 ?
C203 Co2 C202 41.6(7) 10_545 10_545 ?
C203 Co2 C202 116.5(9) . 10_545 ?
C201 Co2 C202 124.9(8) . 10_545 ?
C201 Co2 C202 41.5(7) 10_545 10_545 ?
C205 Co2 C202 164.1(11) 10_545 . ?
C205 Co2 C202 70.30(18) . . ?
C204 Co2 C202 152.1(12) 10_545 . ?
C204 Co2 C202 70.35(12) . . ?
C203 Co2 C202 116.5(6) 10_545 . ?
C203 Co2 C202 41.62(6) . . ?
C201 Co2 C202 41.49(13) . . ?
C201 Co2 C202 124.9(5) 10_545 . ?
C202 Co2 C202 104.9(6) 10_545 . ?
C201 C205 C204 108.03(7) . . ?
C201 C205 Co2 69.65(6) . . ?
C204 C205 Co2 69.08(13) . . ?
C201 C205 H205 126.0 . . ?
C204 C205 H205 126.0 . . ?
Co2 C205 H205 126.8 . . ?
C202 C201 C205 108.06(6) . . ?
C202 C201 Co2 69.50(11) . . ?
C205 C201 Co2 68.59(13) . . ?
C202 C201 H201 126.0 . . ?
C205 C201 H201 126.0 . . ?
Co2 C201 H201 127.5 . . ?
C201 C202 C203 107.97(18) . . ?
C201 C202 Co2 69.01(16) . . ?
C203 C202 Co2 68.9 . . ?
C201 C202 H202 126.0 . . ?
C203 C202 H202 126.0 . . ?
Co2 C202 H202 127.6 . . ?
C204 C203 C202 108.01(14) . . ?
C204 C203 Co2 68.7(2) . . ?
C202 C203 Co2 69.48(7) . . ?
C204 C203 H203 126.0 . . ?
C202 C203 H203 126.0 . . ?
Co2 C203 H203 127.4 . . ?
C203 C204 C205 107.92(11) . . ?
C203 C204 Co2 69.55(13) . . ?
C205 C204 Co2 68.98(15) . . ?
C203 C204 H204 126.0 . . ?
C205 C204 H204 126.0 . . ?
Co2 C204 H204 127.0 . . ?
C47 C48 C33 122(2) . 2_645 ?
C47 C48 H48A 118.9 . . ?
C33 C48 H48A 118.9 2_645 . ?
O08 Ti1 O11 90.5(6) . . ?
O08 Ti1 O06 168.5(6) . . ?
O11 Ti1 O06 97.9(6) . . ?
O08 Ti1 O07 80.7(6) . . ?
O11 Ti1 O07 167.7(6) . . ?
O06 Ti1 O07 92.0(5) . . ?
O08 Ti1 O10 99.7(6) . . ?
O11 Ti1 O10 80.0(5) . . ?
O06 Ti1 O10 89.5(5) . . ?
O07 Ti1 O10 93.0(5) . . ?
O08 Ti1 O05 93.1(7) . . ?
O11 Ti1 O05 90.3(5) . . ?
O06 Ti1 O05 79.2(6) . . ?
O07 Ti1 O05 98.7(5) . . ?
O10 Ti1 O05 164.0(6) . . ?
C24 O06 Ti1 116.3(12) . . ?
C25 O07 Ti1 115.2(12) . . ?
C34 O10 Ti1 116.0(11) . . ?
C23 O05 Ti1 112.7(13) . . ?
C26 O08 Ti1 117.1(14) . . ?
C02 O02 Ti2 115.9(14) . . ?
C35 O11 Ti1 112.3(13) . . ?
C01 O01 Ti2 110.5(12) . . ?
C40 N04 C41 125.4(18) . . ?
C40 N04 H04B 117.3 . . ?
C41 N04 H04B 117.3 . . ?
C31 N03 C32 130.7(18) . . ?
C31 N03 H40B 114.6 . . ?
C32 N03 H40B 114.6 . . ?
C18 N02 C17 138(3) . . ?
C18 N02 H02B 111.0 . . ?
C17 N02 H02B 111.0 . . ?
O09 C31 N03 122(2) . . ?
O09 C31 C30 122(2) . . ?
N03 C31 C30 116(2) . . ?
N02 C18 C19 124(3) . . ?
N02 C18 O04 107(3) . . ?
C19 C18 O04 129(3) . . ?
C08 N01 C07 129(2) . . ?
C08 N01 H01B 115.4 . . ?
C07 N01 H01B 115.4 . . ?
O03 C07 N01 121(3) . . ?
O03 C07 C06 127(3) . . ?
N01 C07 C06 112(2) . . ?
O12 C40 N04 124(2) . . ?
O12 C40 C39 119(2) . . ?
N04 C40 C39 117(2) . . ?
C102 Co1 C102 119.66(8) 3_765 2_645 ?
C102 Co1 C102 119.7(17) 3_765 . ?
C102 Co1 C102 119.7(17) 2_645 . ?
C102 Co1 C101 144.6(12) 3_765 . ?
C102 Co1 C101 89.2(15) 2_645 . ?
C102 Co1 C101 43.8 . . ?
C102 Co1 C101 43.8(6) 3_765 3_765 ?
C102 Co1 C101 144.6(8) 2_645 3_765 ?
C102 Co1 C101 89.2(18) . 3_765 ?
C101 Co1 C101 100.9(15) . 3_765 ?
C102 Co1 C101 89.2(12) 3_765 2_645 ?
C102 Co1 C101 43.8(8) 2_645 2_645 ?
C101 Co1 C101 100.9(19) . 2_645 ?
C101 Co1 C101 100.9(3) 3_765 2_645 ?
C102 Co1 C103 43.2(4) 3_765 3_765 ?
C102 Co1 C103 78.6(4) 2_645 3_765 ?
C102 Co1 C103 161.6(19) . 3_765 ?
C101 Co1 C103 142.8(6) . 3_765 ?
C101 Co1 C103 73.0(6) 3_765 3_765 ?
C101 Co1 C103 47.4(9) 2_645 3_765 ?
C102 Co1 C103 78.6(17) 3_765 . ?
C102 Co1 C103 161.6(17) 2_645 . ?
C102 Co1 C103 43.2 . . ?
C101 Co1 C103 73.0 . . ?
C101 Co1 C103 47.4(17) 3_765 . ?
C101 Co1 C103 142.8(6) 2_645 . ?
C103 Co1 C103 118.4(19) 3_765 . ?
C102 Co1 C103 161.6(2) 3_765 2_645 ?
C102 Co1 C103 43.2(3) 2_645 2_645 ?
C102 Co1 C103 78.6(18) . 2_645 ?
C101 Co1 C103 47.4(16) . 2_645 ?
C101 Co1 C103 142.8(5) 3_765 2_645 ?
C101 Co1 C103 73.0(10) 2_645 2_645 ?
C103 Co1 C103 118.4(2) 3_765 2_645 ?
C103 Co1 C103 118.4(18) . 2_645 ?
C102 Co1 C105 108.2(4) 3_765 . ?
C102 Co1 C105 98.5(5) 2_645 . ?
C102 Co1 C105 72.8 . . ?
C101 Co1 C105 42.8 . . ?
C101 Co1 C105 69.3(10) 3_765 . ?
C101 Co1 C105 79.3(10) 2_645 . ?
C103 Co1 C105 104.04(16) 3_765 . ?
C103 Co1 C105 71.7 . . ?
C103 Co1 C105 73.5(7) 2_645 . ?
C102 Co1 C105 72.8(14) 3_765 3_765 ?
C102 Co1 C105 98.5(18) . 3_765 ?
C101 Co1 C105 79.3(14) . 3_765 ?
C101 Co1 C105 42.8(15) 3_765 3_765 ?
C101 Co1 C105 69.3(16) 2_645 3_765 ?
C103 Co1 C105 71.7(13) 3_765 3_765 ?
C103 Co1 C105 104.0(16) 2_645 3_765 ?
C105 Co1 C105 36.8(14) . 3_765 ?
C102 Co1 C105 72.8(14) 2_645 2_645 ?
C102 Co1 C105 108.2(19) . 2_645 ?
C101 Co1 C105 79.3(13) 3_765 2_645 ?
C101 Co1 C105 42.8(9) 2_645 2_645 ?
C103 Co1 C105 73.5(19) 3_765 2_645 ?
C103 Co1 C105 104.0(13) . 2_645 ?
C105 Co1 C105 36.8(16) . 2_645 ?
C105 Co1 C105 36.8(12) 3_765 2_645 ?
C105 C101 C102 108.01(9) . . ?
C105 C101 C103 104.4(8) . 2_645 ?
C102 C101 C103 110.1(9) . 2_645 ?
C110 C101 C106 49.8(11) 3_765 3_765 ?
C104 C101 C106 146(3) 2_645 3_765 ?
C105 C101 C106 128.9(13) . 3_765 ?
C103 C101 C106 89.4(15) 2_645 3_765 ?
C105 C101 Co1 70.9 . . ?
C102 C101 Co1 67.6 . . ?
C103 C101 Co1 67.6(4) 2_645 . ?
C106 C101 Co1 69.7(9) 3_765 . ?
C105 C101 C109 115.7(19) . 3_765 ?
C102 C101 C109 96.7(3) . 3_765 ?
C103 C101 C109 14.8(2) 2_645 3_765 ?
C106 C101 C109 74.9(18) 3_765 3_765 ?
Co1 C101 C109 65.7(17) . 3_765 ?
C109 C102 C103 24.4(9) 2_645 . ?
C109 C102 C101 130.8(18) 2_645 . ?
C103 C102 C101 108.1 . . ?
C109 C102 C110 154.3(4) 2_645 3_765 ?
C103 C102 C110 140.7(19) . 3_765 ?
C101 C102 C110 36.9(5) . 3_765 ?
C106 C102 C108 60.5(15) 3_765 2_645 ?
C101 C102 C108 134.6(15) . 2_645 ?
C103 C102 Co1 70.4 . . ?
C101 C102 Co1 68.7 . . ?
C108 C102 Co1 69.7(19) 2_645 . ?
C106 C102 C107 35.3(16) 3_765 3_765 ?
C103 C102 C107 104.1(17) . 3_765 ?
C101 C102 C107 109(2) . 3_765 ?
C108 C102 C107 34.8(16) 2_645 3_765 ?
Co1 C102 C107 65.3(15) . 3_765 ?
C110 C103 C104 74.2(13) 2_645 . ?
C102 C103 C104 107.91(6) . . ?
C102 C103 C101 128.5(13) . 3_765 ?
C104 C103 C101 39.0(10) . 3_765 ?
C109 C103 C108 30.5(19) 2_645 2_645 ?
C104 C103 C108 135.3(14) . 2_645 ?
C102 C103 Co1 66.4 . . ?
C104 C103 Co1 70.7 . . ?
C101 C103 Co1 65.0(12) 3_765 . ?
C108 C103 Co1 65.3(12) 2_645 . ?
C101 C104 C105 86(3) 3_765 3_765 ?
C101 C104 C105 131.3(19) 3_765 . ?
C105 C104 C103 140.0(17) 3_765 . ?
C105 C104 C103 107.97(8) . . ?
C101 C104 C110 30.1(12) 3_765 2_645 ?
C105 C104 C110 138.8(12) . 2_645 ?
C103 C104 C110 48.8(18) . 2_645 ?
C101 C104 Co1 70.5(16) 3_765 . ?
C105 C104 Co1 73.1(19) 3_765 . ?
C105 C104 Co1 68.2 . . ?
C103 C104 Co1 67.1 . . ?
C110 C104 Co1 71.0(15) 2_645 . ?
C101 C104 C109 72.6(8) 3_765 2_645 ?
C105 C104 C109 136(2) 3_765 2_645 ?
C105 C104 C109 108.9(11) . 2_645 ?
C103 C104 C109 5.6(19) . 2_645 ?
C110 C104 C109 44.7(6) 2_645 2_645 ?
Co1 C104 C109 63.2(7) . 2_645 ?
C104 C105 C104 143.5(11) 2_645 . ?
C101 C105 C104 108.0 . . ?
C104 C105 Co1 75.6(15) 2_645 . ?
C101 C105 Co1 66.3 . . ?
C104 C105 Co1 70.0 . . ?
C110 C106 C107 107.99(7) . . ?
C110 C106 C108 135.8(19) . 3_765 ?
C107 C106 C108 46.0(17) . 3_765 ?
C110 C106 C109 117.2(5) . 3_765 ?
C107 C106 C109 92.0(6) . 3_765 ?
C108 C106 C109 48.7(18) 3_765 3_765 ?
C102 C106 C101 48.0(13) 2_645 2_645 ?
C107 C106 C101 118.5(9) . 2_645 ?
C109 C106 C101 88.4(18) 3_765 2_645 ?
C110 C106 Co1 70.2 . . ?
C107 C106 Co1 69.2 . . ?
C108 C106 Co1 66.9(18) 3_765 . ?
C109 C106 Co1 62.7(4) 3_765 . ?
C101 C106 Co1 57.0(10) 2_645 . ?
C108 C107 C106 108.1 . . ?
C108 C107 C102 59.6(15) 3_765 2_645 ?
C108 C107 C102 106.1(6) . 2_645 ?
C106 C107 C102 19.3(17) . 2_645 ?
C107 C107 C102 97.7(17) 3_765 2_645 ?
C107 C107 C102 119.4(6) 2_645 2_645 ?
C108 C107 Co1 72.8(16) 3_765 . ?
C108 C107 Co1 69.2 . . ?
C106 C107 Co1 71.7 . . ?
C102 C107 Co1 54.9(10) 2_645 . ?
C107 C108 C109 134.9(9) 2_645 . ?
C107 C108 C109 107.9 . . ?
C107 C108 C106 136.8(12) . 2_645 ?
C109 C108 C106 78.4(16) . 2_645 ?
C107 C108 C102 129.7(11) . 3_765 ?
C109 C108 C102 51.7(17) . 3_765 ?
C106 C108 C102 27.9(4) 2_645 3_765 ?
C107 C108 C103 124(2) 2_645 3_765 ?
C107 C108 C103 103.6(11) . 3_765 ?
C109 C108 C103 12.3(12) . 3_765 ?
C106 C108 C103 73.4(8) 2_645 3_765 ?
C102 C108 C103 45.6(8) 3_765 3_765 ?
C107 C108 Co1 71.2 . . ?
C109 C108 Co1 70.6 . . ?
C106 C108 Co1 71.2(9) 2_645 . ?
C102 C108 Co1 58.9(13) 3_765 . ?
C103 C108 Co1 58.4(9) 3_765 . ?
C102 C109 C110 129.1(14) 3_765 . ?
C103 C109 C108 137(4) 3_765 . ?
C110 C109 C108 108.03(5) . . ?
C102 C109 C106 24.1(10) 3_765 2_645 ?
C110 C109 C106 136.9(9) . 2_645 ?
C108 C109 C106 52.8(7) . 2_645 ?
C103 C109 C101 41(3) 3_765 2_645 ?
C102 C109 C101 104.7(7) 3_765 2_645 ?
C110 C109 C101 26.1(6) . 2_645 ?
C108 C109 C101 114.7(17) . 2_645 ?
C106 C109 C101 118.9(11) 2_645 2_645 ?
C103 C109 C104 13.4(7) 3_765 3_765 ?
C108 C109 C104 127.9(11) . 3_765 ?
C106 C109 C104 104(3) 2_645 3_765 ?
C101 C109 C104 29.3(17) 2_645 3_765 ?
C102 C109 Co1 62.1(19) 3_765 . ?
C110 C109 Co1 71.8 . . ?
C108 C109 Co1 69.6 . . ?
C106 C109 Co1 65.3(9) 2_645 . ?
C101 C109 Co1 56.3(16) 2_645 . ?
C104 C109 Co1 58.4(11) 3_765 . ?
C101 C110 C109 111(2) 2_645 . ?
C103 C110 C109 24.88(18) 3_765 . ?
C103 C110 C106 124.0(15) 3_765 . ?
C109 C110 C106 108.0 . . ?
C103 C110 C102 124.5(3) 3_765 2_645 ?
C109 C110 C102 122.9(14) . 2_645 ?
C106 C110 C102 32.5(6) . 2_645 ?
C106 C110 C104 125.1(12) . 3_765 ?
C109 C110 Co1 68.9 . . ?
C106 C110 Co1 70.9 . . ?
C102 C110 Co1 60.3(18) 2_645 . ?
C104 C110 Co1 62.5(18) 3_765 . ?
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
C01 O01 1.34(2) . ?
C01 C06 1.398(13) . ?
C01 C02 1.403(13) . ?
C02 O02 1.29(2) . ?
C02 C03 1.382(13) . ?
C03 C04 1.384(13) . ?
C03 H03A 0.9500 . ?
C04 C05 1.381(13) . ?
C04 H04A 0.9500 . ?
C05 C06 1.396(13) . ?
C05 H05A 0.9500 . ?
C06 C07 1.50(3) . ?
C08 C13 1.373(14) . ?
C08 N01 1.37(3) . ?
C08 C09 1.394(13) . ?
C09 C10 1.396(13) . ?
C09 H09A 0.9500 . ?
C10 C11 1.381(13) . ?
C10 H10A 0.9500 . ?
C11 C12 1.405(13) . ?
C11 H11A 0.9500 . ?
C12 C17 1.380(14) . ?
C12 C13 1.409(13) . ?
C13 C14 1.409(13) . ?
C14 C15 1.402(13) . ?
C14 H14A 0.9500 . ?
C15 C16 1.397(13) . ?
C15 H15A 0.9500 . ?
C16 C17 1.388(14) . ?
C16 H16A 0.9500 . ?
C17 N02 1.40(3) . ?
C19 C18 1.32(3) . ?
C19 C24 1.35(3) . ?
C19 C20 1.42(3) . ?
C20 C21 1.35(3) . ?
C20 H20A 0.9500 . ?
C21 C22 1.33(3) . ?
C21 H21A 0.9500 . ?
C22 C23 1.43(3) . ?
C22 H22A 0.9500 . ?
C23 O05 1.37(2) . ?
C23 C24 1.32(3) . ?
C24 O06 1.42(2) . ?
C34 O10 1.29(2) . ?
C34 C39 1.37(2) . ?
C34 C35 1.37(2) . ?
C35 O11 1.36(2) . ?
C35 C36 1.47(3) . ?
C36 C37 1.36(3) . ?
C36 H36A 0.9500 . ?
C37 C38 1.37(3) . ?
C37 H37A 0.9500 . ?
C38 C39 1.37(3) . ?
C38 H38A 0.9500 . ?
C39 C40 1.52(3) . ?
C25 O07 1.34(2) . ?
C25 C30 1.39(3) . ?
C25 C26 1.45(3) . ?
C26 O08 1.31(2) . ?
C26 C27 1.39(3) . ?
C27 C28 1.38(3) . ?
C27 H27A 0.9500 . ?
C28 C29 1.40(3) . ?
C28 H28A 0.9500 . ?
C29 C30 1.41(3) . ?
C29 H29A 0.9500 . ?
C30 C31 1.47(3) . ?
C41 C42 1.35(2) . ?
C41 C46 1.43(2) . ?
C41 N04 1.44(2) . ?
C42 C43 1.42(3) . ?
C42 H42A 0.9500 . ?
C43 C44 1.35(3) . ?
C43 H43A 0.9500 . ?
C44 C45 1.42(2) . ?
C44 H44A 0.9500 . ?
C45 C32 1.36(2) 2_645 ?
C45 C46 1.44(2) . ?
C46 C47 1.45(2) . ?
Ti2 O02 1.945(15) . ?
Ti2 O02 1.945(15) 2_645 ?
Ti2 O02 1.945(15) 3_765 ?
Ti2 O01 2.010(15) 3_765 ?
Ti2 O01 2.010(15) 2_645 ?
Ti2 O01 2.010(15) . ?
C32 C45 1.36(2) 3_765 ?
C32 C33 1.44(3) . ?
C32 N03 1.44(2) . ?
C47 C48 1.33(3) . ?
C47 H47A 0.9500 . ?
O12 C40 1.25(2) . ?
C33 C48 1.40(3) 3_765 ?
Co2 C205 1.984(19) 10_545 ?
Co2 C205 1.984(6) . ?
Co2 C204 1.986(11) 10_545 ?
Co2 C204 1.985(5) . ?
Co2 C203 1.997(9) 10_545 ?
Co2 C203 1.9967 . ?
Co2 C201 1.998(4) . ?
Co2 C201 1.998(8) 10_545 ?
Co2 C202 2.005(17) 10_545 ?
Co2 C202 2.0044(17) . ?
C205 C201 1.4193(11) . ?
C205 C204 1.420(3) . ?
C205 H205 0.9500 . ?
C201 C202 1.418(3) . ?
C201 H201 0.9500 . ?
C202 C203 1.4213(13) . ?
C202 H202 0.9500 . ?
C203 C204 1.4196 . ?
C203 H203 0.9500 . ?
C204 H204 0.9500 . ?
C48 C33 1.40(3) 2_645 ?
C48 H48A 0.9500 . ?
Ti1 O08 1.908(15) . ?
Ti1 O11 1.944(13) . ?
Ti1 O06 1.968(14) . ?
Ti1 O07 1.962(12) . ?
Ti1 O10 1.976(12) . ?
Ti1 O05 1.984(14) . ?
O09 C31 1.22(2) . ?
N04 C40 1.30(2) . ?
N04 H04B 0.8800 . ?
N03 C31 1.33(2) . ?
N03 H40B 0.8800 . ?
N02 C18 1.35(3) . ?
N02 H02B 0.8800 . ?
O03 C07 1.19(3) . ?
O04 C18 1.37(3) . ?
N01 C07 1.42(3) . ?
N01 H01B 0.8800 . ?
Co1 C102 1.90(4) 3_765 ?
Co1 C102 1.90(3) 2_645 ?
Co1 C102 1.8978 . ?
Co1 C101 1.9126 . ?
Co1 C101 1.91(3) 3_765 ?
Co1 C101 1.91(3) 2_645 ?
Co1 C103 1.95(3) 3_765 ?
Co1 C103 1.9512 . ?
Co1 C103 1.95(3) 2_645 ?
Co1 C105 1.9745 . ?
Co1 C105 1.97(2) 3_765 ?
Co1 C105 1.975(17) 2_645 ?
C101 C110 0.918(2) 3_765 ?
C101 C104 1.00(5) 2_645 ?
C101 C105 1.4198 . ?
C101 C102 1.4202 . ?
C101 C103 1.55(6) 2_645 ?
C102 C106 0.81(3) 3_765 ?
C102 C109 1.40(4) 2_645 ?
C102 C103 1.4184(16) . ?
C102 C110 1.47(4) 3_765 ?
C103 C109 0.598(13) 2_645 ?
C103 C110 1.28(4) 2_645 ?
C103 C104 1.4235 . ?
C103 C101 1.55(6) 3_765 ?
C104 C101 1.00(5) 3_765 ?
C104 C105 1.07(7) 3_765 ?
C104 C105 1.4198 . ?
C104 C110 1.635(4) 2_645 ?
C105 C104 1.07(5) 2_645 ?
C106 C102 0.81(3) 2_645 ?
C106 C110 1.4211(13) . ?
C106 C107 1.4218 . ?
C106 C108 1.51(6) 3_765 ?
C107 C108 1.15(5) 3_765 ?
C107 C108 1.4192(17) . ?
C108 C107 1.15(6) 2_645 ?
C108 C109 1.4228 . ?
C108 C106 1.51(6) 2_645 ?
C109 C103 0.598(3) 3_765 ?
C109 C102 1.40(5) 3_765 ?
C109 C110 1.4205 . ?
C110 C101 0.92(4) 2_645 ?
C110 C103 1.28(6) 3_765 ?
C110 C102 1.47(5) 2_645 ?
C110 C104 1.63(5) 3_765 ?
C10S N3S 1.50(2) 2_645 ?
C10S N3S 1.50(2) 3_765 ?
C10S N3S 1.50(2) . ?
C12S O12S 1.52(10) . ?
C7S N2S 1.50(2) . ?
C11S N3S 1.50(2) . ?
C11S N3S 1.50(2) 2_645 ?
C11S N3S 1.50(2) 3_765 ?
C8S N2S 1.50(2) . ?
O1S O9S 1.30(5) . ?
O1S O10S 1.53(6) . ?
O2S O9S 1.51(5) . ?
O4S O5S 1.57(8) . ?
O9S O10S 1.79(7) . ?
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
O01 C01 C02 O02 5(3) . . . . ?
C06 C01 C02 O02 -174(2) . . . . ?
O01 C01 C02 C03 -179(2) . . . . ?
C06 C01 C02 C03 2(4) . . . . ?
O02 C02 C03 C04 172(2) . . . . ?
C01 C02 C03 C04 -4(4) . . . . ?
C02 C03 C04 C05 3(4) . . . . ?
C03 C04 C05 C06 -1(4) . . . . ?
O01 C01 C06 C05 -179(2) . . . . ?
C02 C01 C06 C05 1(4) . . . . ?
O01 C01 C06 C07 2(4) . . . . ?
C02 C01 C06 C07 -179(2) . . . . ?
C04 C05 C06 C01 -1(4) . . . . ?
C04 C05 C06 C07 178(2) . . . . ?
C13 C08 C09 C10 -4(4) . . . . ?
N01 C08 C09 C10 176(2) . . . . ?
C08 C09 C10 C11 -2(4) . . . . ?
C09 C10 C11 C12 3(4) . . . . ?
C10 C11 C12 C17 -179(2) . . . . ?
C10 C11 C12 C13 3(3) . . . . ?
N01 C08 C13 C12 -171(2) . . . . ?
C09 C08 C13 C12 10(4) . . . . ?
N01 C08 C13 C14 7(4) . . . . ?
C09 C08 C13 C14 -172(2) . . . . ?
C17 C12 C13 C08 172(2) . . . . ?
C11 C12 C13 C08 -9(4) . . . . ?
C17 C12 C13 C14 -6(4) . . . . ?
C11 C12 C13 C14 173(2) . . . . ?
C08 C13 C14 C15 -174(2) . . . . ?
C12 C13 C14 C15 4(4) . . . . ?
C13 C14 C15 C16 -2(4) . . . . ?
C14 C15 C16 C17 3(4) . . . . ?
C13 C12 C17 C16 6(4) . . . . ?
C11 C12 C17 C16 -173(2) . . . . ?
C13 C12 C17 N02 -169(2) . . . . ?
C11 C12 C17 N02 12(4) . . . . ?
C15 C16 C17 C12 -4(4) . . . . ?
C15 C16 C17 N02 170(2) . . . . ?
C18 C19 C20 C21 -177(2) . . . . ?
C24 C19 C20 C21 0(3) . . . . ?
C19 C20 C21 C22 -2(4) . . . . ?
C20 C21 C22 C23 3(4) . . . . ?
C21 C22 C23 O05 179(2) . . . . ?
C21 C22 C23 C24 -4(3) . . . . ?
O05 C23 C24 O06 2(3) . . . . ?
C22 C23 C24 O06 -175.6(18) . . . . ?
C18 C19 C24 C23 176(3) . . . . ?
C20 C19 C24 O06 177.1(19) . . . . ?
C39 C34 C35 O11 -177.8(18) . . . . ?
O11 C35 C36 C37 -176(2) . . . . ?
C30 C25 C26 O08 -179.6(19) . . . . ?
O07 C25 C26 C27 -178.5(19) . . . . ?
C30 C25 C26 C27 -1(3) . . . . ?
O08 C26 C27 C28 -177(2) . . . . ?
N04 C41 C42 C43 177.8(18) . . . . ?
C41 C42 C43 C44 1(3) . . . . ?
C42 C43 C44 C45 5(3) . . . . ?
C43 C44 C45 C32 179(2) . . . 2_645 ?
C43 C44 C45 C46 -5(3) . . . . ?
C42 C41 C46 C45 7(3) . . . . ?
N04 C41 C46 C45 -177.9(17) . . . . ?
C42 C41 C46 C47 -177.9(19) . . . . ?
N04 C41 C46 C47 -3(3) . . . . ?
C32 C45 C46 C41 175.8(18) 2_645 . . . ?
C44 C45 C46 C41 -1(3) . . . . ?
C32 C45 C46 C47 0(3) 2_645 . . . ?
C44 C45 C46 C47 -176.2(17) . . . . ?
C41 C46 C47 C48 -178(2) . . . . ?
C45 C46 C47 C48 -3(3) . . . . ?
C45 C32 C33 C48 -4(3) 3_765 . . 3_765 ?
N03 C32 C33 C48 176.6(19) . . . 3_765 ?
C205 Co2 C205 C201 -157.1(15) 10_545 . . . ?
C204 Co2 C205 C201 -113.3(11) 10_545 . . . ?
C204 Co2 C205 C201 119.7 . . . . ?
C203 Co2 C205 C201 -71.5(6) 10_545 . . . ?
C203 Co2 C205 C201 81.79(7) . . . . ?
C201 Co2 C205 C201 167.5(17) 10_545 . . . ?
C202 Co2 C205 C201 -37.2(19) 10_545 . . . ?
C202 Co2 C205 C201 37.48(7) . . . . ?
C205 Co2 C205 C204 83.2(15) 10_545 . . . ?
C204 Co2 C205 C204 127.0(11) 10_545 . . . ?
C203 Co2 C205 C204 168.8(6) 10_545 . . . ?
C203 Co2 C205 C204 -37.89(9) . . . . ?
C201 Co2 C205 C204 -119.7 . . . . ?
C201 Co2 C205 C204 47.9(17) 10_545 . . . ?
C202 Co2 C205 C204 -156.9(19) 10_545 . . . ?
C202 Co2 C205 C204 -82.20(9) . . . . ?
C204 C205 C201 C202 0.2 . . . . ?
Co2 C205 C201 C202 -58.43(11) . . . . ?
C204 C205 C201 Co2 58.59(12) . . . . ?
C205 Co2 C201 C202 170(2) 10_545 . . . ?
C205 Co2 C201 C202 120.1 . . . . ?
C204 Co2 C201 C202 -155.9(5) 10_545 . . . ?
C204 Co2 C201 C202 82.11(9) . . . . ?
C203 Co2 C201 C202 -112.7(3) 10_545 . . . ?
C203 Co2 C201 C202 37.62(10) . . . . ?
C201 Co2 C201 C202 -40(3) 10_545 . . . ?
C202 Co2 C201 C202 -71.5(10) 10_545 . . . ?
C205 Co2 C201 C205 50(2) 10_545 . . . ?
C204 Co2 C201 C205 83.9(4) 10_545 . . . ?
C204 Co2 C201 C205 -38.03(12) . . . . ?
C203 Co2 C201 C205 127.2(3) 10_545 . . . ?
C203 Co2 C201 C205 -82.53(13) . . . . ?
C201 Co2 C201 C205 -160(3) 10_545 . . . ?
C202 Co2 C201 C205 168.4(10) 10_545 . . . ?
C202 Co2 C201 C205 -120.1 . . . . ?
C205 C201 C202 C203 -0.1 . . . . ?
Co2 C201 C202 C203 -58.01(11) . . . . ?
C205 C201 C202 Co2 57.86(12) . . . . ?
C205 Co2 C202 C201 -164(3) 10_545 . . . ?
C205 Co2 C202 C201 -37.72(7) . . . . ?
C204 Co2 C202 C201 50.5(12) 10_545 . . . ?
C204 Co2 C202 C201 -82.39(17) . . . . ?
C203 Co2 C202 C201 83.5(8) 10_545 . . . ?
C203 Co2 C202 C201 -120.15(19) . . . . ?
C201 Co2 C202 C201 167.0(9) 10_545 . . . ?
C202 Co2 C202 C201 126.4(11) 10_545 . . . ?
C205 Co2 C202 C203 -43(2) 10_545 . . . ?
C205 Co2 C202 C203 82.4(2) . . . . ?
C204 Co2 C202 C203 170.7(13) 10_545 . . . ?
C204 Co2 C202 C203 37.76(7) . . . . ?
C203 Co2 C202 C203 -156.3(9) 10_545 . . . ?
C201 Co2 C202 C203 120.2(2) . . . . ?
C201 Co2 C202 C203 -72.9(10) 10_545 . . . ?
C202 Co2 C202 C203 -113.4(12) 10_545 . . . ?
C201 C202 C203 C204 0.1 . . . . ?
Co2 C202 C203 C204 -58.0(2) . . . . ?
C201 C202 C203 Co2 58.1(2) . . . . ?
C205 Co2 C203 C204 -73.4(4) 10_545 . . . ?
C205 Co2 C203 C204 38.03(5) . . . . ?
C204 Co2 C203 C204 -42(4) 10_545 . . . ?
C203 Co2 C203 C204 168.7(19) 10_545 . . . ?
C201 Co2 C203 C204 82.51(11) . . . . ?
C201 Co2 C203 C204 -114.4(3) 10_545 . . . ?
C202 Co2 C203 C204 -157.5(10) 10_545 . . . ?
C202 Co2 C203 C204 120.03(11) . . . . ?
C205 Co2 C203 C202 166.6(5) 10_545 . . . ?
C205 Co2 C203 C202 -82.00(12) . . . . ?
C204 Co2 C203 C202 -120.03(12) . . . . ?
C203 Co2 C203 C202 48.6(19) 10_545 . . . ?
C201 Co2 C203 C202 -37.51(5) . . . . ?
C201 Co2 C203 C202 125.6(4) 10_545 . . . ?
C202 Co2 C203 C202 82.5(10) 10_545 . . . ?
C202 C203 C204 C205 0.0 . . . . ?
Co2 C203 C204 C205 -58.47(15) . . . . ?
C202 C203 C204 Co2 58.50(14) . . . . ?
C201 C205 C204 C203 -0.1 . . . . ?
Co2 C205 C204 C203 58.8 . . . . ?
C201 C205 C204 Co2 -58.9 . . . . ?
C205 Co2 C204 C203 126.0(10) 10_545 . . . ?
C205 Co2 C204 C203 -119.68(11) . . . . ?
C204 Co2 C204 C203 167.7(15) 10_545 . . . ?
C203 Co2 C204 C203 -158(3) 10_545 . . . ?
C201 Co2 C204 C203 -81.80(14) . . . . ?
C201 Co2 C204 C203 82.3(5) 10_545 . . . ?
C202 Co2 C204 C203 47.1(11) 10_545 . . . ?
C202 Co2 C204 C203 -37.63(7) . . . . ?
C205 Co2 C204 C205 -114.3(10) 10_545 . . . ?
C204 Co2 C204 C205 -72.6(15) 10_545 . . . ?
C203 Co2 C204 C205 -39(3) 10_545 . . . ?
C203 Co2 C204 C205 119.68(11) . . . . ?
C201 Co2 C204 C205 37.88(7) . . . . ?
C201 Co2 C204 C205 -158.0(5) 10_545 . . . ?
C202 Co2 C204 C205 166.8(11) 10_545 . . . ?
C202 Co2 C204 C205 82.05(11) . . . . ?
C46 C47 C48 C33 2(3) . . . 2_645 ?
C23 C24 O06 Ti1 -7(2) . . . . ?
C19 C24 O06 Ti1 174.0(17) . . . . ?
O08 Ti1 O06 C24 56(4) . . . . ?
O11 Ti1 O06 C24 -81.4(13) . . . . ?
O07 Ti1 O06 C24 105.9(13) . . . . ?
O10 Ti1 O06 C24 -161.2(13) . . . . ?
O05 Ti1 O06 C24 7.4(12) . . . . ?
C30 C25 O07 Ti1 177.4(17) . . . . ?
C26 C25 O07 Ti1 -6(2) . . . . ?
O08 Ti1 O07 C25 4.8(13) . . . . ?
O11 Ti1 O07 C25 49(3) . . . . ?
O06 Ti1 O07 C25 -166.3(13) . . . . ?
O10 Ti1 O07 C25 104.1(13) . . . . ?
O05 Ti1 O07 C25 -86.9(13) . . . . ?
C39 C34 O10 Ti1 173.4(16) . . . . ?
C35 C34 O10 Ti1 -1(2) . . . . ?
O08 Ti1 O10 C34 -85.7(13) . . . . ?
O11 Ti1 O10 C34 3.1(13) . . . . ?
O06 Ti1 O10 C34 101.3(13) . . . . ?
O07 Ti1 O10 C34 -166.7(13) . . . . ?
O05 Ti1 O10 C34 57(3) . . . . ?
C24 C23 O05 Ti1 4(3) . . . . ?
C22 C23 O05 Ti1 -178.6(17) . . . . ?
O08 Ti1 O05 C23 -177.4(14) . . . . ?
O11 Ti1 O05 C23 92.1(14) . . . . ?
O06 Ti1 O05 C23 -5.9(13) . . . . ?
O07 Ti1 O05 C23 -96.4(14) . . . . ?
O10 Ti1 O05 C23 40(3) . . . . ?
C27 C26 O08 Ti1 -177(2) . . . . ?
C25 C26 O08 Ti1 1(3) . . . . ?
O11 Ti1 O08 C26 -174.4(16) . . . . ?
O06 Ti1 O08 C26 48(4) . . . . ?
O07 Ti1 O08 C26 -3.0(16) . . . . ?
O10 Ti1 O08 C26 -94.5(16) . . . . ?
O05 Ti1 O08 C26 95.3(16) . . . . ?
C03 C02 O02 Ti2 -168.7(17) . . . . ?
C01 C02 O02 Ti2 8(3) . . . . ?
O02 Ti2 O02 C02 175.2(16) 2_645 . . . ?
O02 Ti2 O02 C02 85.5(18) 3_765 . . . ?
O01 Ti2 O02 C02 51(4) 3_765 . . . ?
O01 Ti2 O02 C02 -105.0(16) 2_645 . . . ?
O01 Ti2 O02 C02 -12.2(15) . . . . ?
C34 C35 O11 Ti1 5(2) . . . . ?
C36 C35 O11 Ti1 -176.9(16) . . . . ?
O08 Ti1 O11 C35 95.5(14) . . . . ?
O06 Ti1 O11 C35 -92.3(14) . . . . ?
O07 Ti1 O11 C35 52(3) . . . . ?
O10 Ti1 O11 C35 -4.2(13) . . . . ?
O05 Ti1 O11 C35 -171.4(14) . . . . ?
C06 C01 O01 Ti2 165(2) . . . . ?
C02 C01 O01 Ti2 -15(2) . . . . ?
O02 Ti2 O01 C01 14.1(13) . . . . ?
O02 Ti2 O01 C01 50(3) 2_645 . . . ?
O02 Ti2 O01 C01 -74.3(14) 3_765 . . . ?
O01 Ti2 O01 C01 -154.6(14) 3_765 . . . ?
O01 Ti2 O01 C01 111.0(15) 2_645 . . . ?
C42 C41 N04 C40 -33(3) . . . . ?
C46 C41 N04 C40 151.3(19) . . . . ?
C45 C32 N03 C31 155(2) 3_765 . . . ?
C33 C32 N03 C31 -26(3) . . . . ?
C12 C17 N02 C18 131(3) . . . . ?
C16 C17 N02 C18 -44(4) . . . . ?
C32 N03 C31 C30 -170.7(18) . . . . ?
C29 C30 C31 N03 176.2(18) . . . . ?
C41 N04 C40 C39 -174.3(17) . . . . ?
C34 C39 C40 O12 -176.2(19) . . . . ?
C38 C39 C40 O12 7(3) . . . . ?
C34 C39 C40 N04 2(3) . . . . ?
C38 C39 C40 N04 -175.3(18) . . . . ?
C102 Co1 C101 C110 149.5(16) 3_765 . . 3_765 ?
C103 Co1 C101 C110 -133.5(11) 3_765 . . 3_765 ?
C102 Co1 C101 C105 103.4(8) 2_645 . . . ?
C102 Co1 C101 C105 -119.8 . . . . ?
C101 Co1 C101 C105 -42.5(10) 3_765 . . . ?
C101 Co1 C101 C105 60.9(10) 2_645 . . . ?
C103 Co1 C101 C105 -81.2 . . . . ?
C103 Co1 C101 C105 115.3(11) 2_645 . . . ?
C105 Co1 C101 C105 31.5(16) 2_645 . . . ?
C102 Co1 C101 C102 -136.9(8) 2_645 . . . ?
C101 Co1 C101 C102 77.3(10) 3_765 . . . ?
C103 Co1 C101 C102 38.5 . . . . ?
C103 Co1 C101 C102 -124.9(11) 2_645 . . . ?
C105 Co1 C101 C102 119.8 . . . . ?
C105 Co1 C101 C102 151.3(16) 2_645 . . . ?
C102 Co1 C101 C103 -158.7(11) 3_765 . . 2_645 ?
C102 Co1 C101 C103 -12.0(3) 2_645 . . 2_645 ?
C102 Co1 C101 C103 124.9(11) . . . 2_645 ?
C101 Co1 C101 C103 -157.8(7) 3_765 . . 2_645 ?
C101 Co1 C101 C103 -54.4(7) 2_645 . . 2_645 ?
C103 Co1 C101 C103 -81.7(18) 3_765 . . 2_645 ?
C103 Co1 C101 C103 163.4(11) . . . 2_645 ?
C105 Co1 C101 C103 -115.3(11) . . . 2_645 ?
C105 Co1 C101 C103 -120.7(19) 3_765 . . 2_645 ?
C105 Co1 C101 C103 -83.8(18) 2_645 . . 2_645 ?
C102 Co1 C101 C106 103.3(11) 3_765 . . 3_765 ?
C102 Co1 C101 C106 -110.0(18) 2_645 . . 3_765 ?
C101 Co1 C101 C106 104.2(16) 3_765 . . 3_765 ?
C101 Co1 C101 C106 -152.4(16) 2_645 . . 3_765 ?
C103 Co1 C101 C106 -98.0(15) 2_645 . . 3_765 ?
C105 Co1 C101 C106 141.3(18) 3_765 . . 3_765 ?
C102 Co1 C101 C109 -174.6(10) 3_765 . . 3_765 ?
C102 Co1 C101 C109 -27.9(5) 2_645 . . 3_765 ?
C102 Co1 C101 C109 109.0(12) . . . 3_765 ?
C101 Co1 C101 C109 -173.8(6) 3_765 . . 3_765 ?
C101 Co1 C101 C109 -70.3(6) 2_645 . . 3_765 ?
C103 Co1 C101 C109 -97.7(17) 3_765 . . 3_765 ?
C103 Co1 C101 C109 147.5(12) . . . 3_765 ?
C103 Co1 C101 C109 -15.9(3) 2_645 . . 3_765 ?
C105 Co1 C101 C109 -131.3(12) . . . 3_765 ?
C105 Co1 C101 C109 -136.6(18) 3_765 . . 3_765 ?
C105 Co1 C101 C109 -99.7(17) 2_645 . . 3_765 ?
C109 C101 C102 C106 29.7(13) 3_765 . . 3_765 ?
C110 C101 C102 C109 -146.4(16) 3_765 . . 2_645 ?
C106 C101 C102 C109 -139.0(18) 3_765 . . 2_645 ?
C109 C101 C102 C109 -109.3(8) 3_765 . . 2_645 ?
C103 C101 C102 C103 -113.4(6) 2_645 . . . ?
Co1 C101 C102 C103 -59.6 . . . . ?
C105 C101 C102 Co1 59.6 . . . . ?
C103 C101 C102 Co1 -53.9(6) 2_645 . . . ?
C105 C101 C102 C107 112.4(14) . . . 3_765 ?
Co1 C101 C102 C107 52.8(14) . . . 3_765 ?
C102 Co1 C102 C109 4.41(17) 3_765 . . 2_645 ?
C102 Co1 C102 C109 -164.05(17) 2_645 . . 2_645 ?
C101 Co1 C102 C109 144.07(9) . . . 2_645 ?
C101 Co1 C102 C109 37.4(6) 3_765 . . 2_645 ?
C101 Co1 C102 C109 145.3(17) 2_645 . . 2_645 ?
C103 Co1 C102 C109 23.3(8) 3_765 . . 2_645 ?
C103 Co1 C102 C109 24.52(9) . . . 2_645 ?
C103 Co1 C102 C109 -177.9(3) 2_645 . . 2_645 ?
C105 Co1 C102 C109 105.93(8) . . . 2_645 ?
C105 Co1 C102 C109 79.3(18) 3_765 . . 2_645 ?
C105 Co1 C102 C109 115.8(19) 2_645 . . 2_645 ?
C102 Co1 C102 C103 -20.11(14) 3_765 . . . ?
C102 Co1 C102 C103 171.44(14) 2_645 . . . ?
C101 Co1 C102 C103 119.5 . . . . ?
C101 Co1 C102 C103 12.9(6) 3_765 . . . ?
C101 Co1 C102 C103 120.7(17) 2_645 . . . ?
C103 Co1 C102 C103 157.5(3) 2_645 . . . ?
C105 Co1 C102 C103 81.4 . . . . ?
C105 Co1 C102 C103 54.8(18) 3_765 . . . ?
C102 Co1 C102 C101 -139.66(14) 3_765 . . . ?
C102 Co1 C102 C101 51.89(14) 2_645 . . . ?
C101 Co1 C102 C101 -106.7(6) 3_765 . . . ?
C101 Co1 C102 C101 1.2(17) 2_645 . . . ?
C103 Co1 C102 C101 -120.8(8) 3_765 . . . ?
C103 Co1 C102 C101 -119.5 . . . . ?
C103 Co1 C102 C101 38.0(3) 2_645 . . . ?
C105 Co1 C102 C101 -38.1 . . . . ?
C105 Co1 C102 C101 -64.7(18) 3_765 . . . ?
C102 Co1 C102 C110 -177.32(16) 3_765 . . 3_765 ?
C102 Co1 C102 C110 14.22(16) 2_645 . . 3_765 ?
C101 Co1 C102 C110 -37.7(3) . . . 3_765 ?
C101 Co1 C102 C110 -144.3(4) 3_765 . . 3_765 ?
C101 Co1 C102 C110 -36.5(19) 2_645 . . 3_765 ?
C103 Co1 C102 C110 -158.4(11) 3_765 . . 3_765 ?
C103 Co1 C102 C110 -157.2(3) . . . 3_765 ?
C103 Co1 C102 C110 0.3 2_645 . . 3_765 ?
C105 Co1 C102 C110 -75.8(3) . . . 3_765 ?
C105 Co1 C102 C110 -102.4(18) 3_765 . . 3_765 ?
C101 Co1 C102 C108 -160.1(6) 2_645 . . 2_645 ?
C103 Co1 C102 C108 77.9(16) 3_765 . . 2_645 ?
C105 Co1 C102 C108 134.0(15) 3_765 . . 2_645 ?
C105 Co1 C102 C108 170.5(5) 2_645 . . 2_645 ?
C101 Co1 C102 C107 -122.6(14) 2_645 . . 3_765 ?
C103 Co1 C102 C107 115.5(19) 3_765 . . 3_765 ?
C105 Co1 C102 C107 171.5(10) 3_765 . . 3_765 ?
C105 Co1 C102 C107 -152.0(15) 2_645 . . 3_765 ?
C108 C102 C103 C104 -132.4(17) 2_645 . . . ?
Co1 C102 C103 C104 -58.6 . . . . ?
C101 C102 C103 C101 38.0(12) . . . 3_765 ?
Co1 C102 C103 C101 -20.5(11) . . . 3_765 ?
C107 C102 C103 C101 -77.4(14) 3_765 . . 3_765 ?
C101 C102 C103 C108 132.3(17) . . . 2_645 ?
C110 C102 C103 C108 110.4(19) 3_765 . . 2_645 ?
Co1 C102 C103 C108 73.8(17) . . . 2_645 ?
C101 C102 C103 Co1 58.5 . . . . ?
C108 C102 C103 Co1 -73.8(17) 2_645 . . . ?
C102 Co1 C103 C110 -162.6(5) . . . 2_645 ?
C101 Co1 C103 C110 158.4(5) . . . 2_645 ?
C101 Co1 C103 C110 35.0(16) 3_765 . . 2_645 ?
C101 Co1 C103 C110 73(3) 2_645 . . 2_645 ?
C103 Co1 C103 C110 16.9(2) 3_765 . . 2_645 ?
C103 Co1 C103 C110 172.2(2) 2_645 . . 2_645 ?
C105 Co1 C103 C110 113.4(5) . . . 2_645 ?
C105 Co1 C103 C110 74.8(16) 3_765 . . 2_645 ?
C102 Co1 C103 C102 162.3(3) 3_765 . . . ?
C102 Co1 C103 C102 -24.2(14) 2_645 . . . ?
C101 Co1 C103 C102 -39.0 . . . . ?
C101 Co1 C103 C102 -162.4(11) 3_765 . . . ?
C103 Co1 C103 C102 -25.2(3) 2_645 . . . ?
C105 Co1 C103 C102 -84.0 . . . . ?
C105 Co1 C103 C102 -122.6(14) 3_765 . . . ?
C105 Co1 C103 C102 -102(2) 2_645 . . . ?
C102 Co1 C103 C104 -77.2(3) 3_765 . . . ?
C102 Co1 C103 C104 96.3(14) 2_645 . . . ?
C102 Co1 C103 C104 120.59(6) . . . . ?
C101 Co1 C103 C104 81.6 . . . . ?
C101 Co1 C103 C104 -41.8(11) 3_765 . . . ?
C101 Co1 C103 C104 -4(3) 2_645 . . . ?
C103 Co1 C103 C104 -59.8(3) 3_765 . . . ?
C103 Co1 C103 C104 95.4(3) 2_645 . . . ?
C105 Co1 C103 C104 36.6 . . . . ?
C105 Co1 C103 C104 -2.0(15) 3_765 . . . ?
C105 Co1 C103 C104 19(2) 2_645 . . . ?
C102 Co1 C103 C101 -35.4(14) 3_765 . . 3_765 ?
C102 Co1 C103 C101 138(2) 2_645 . . 3_765 ?
C102 Co1 C103 C101 162.4(11) . . . 3_765 ?
C101 Co1 C103 C101 123.4(11) . . . 3_765 ?
C101 Co1 C103 C101 38(4) 2_645 . . 3_765 ?
C103 Co1 C103 C101 -18.1(14) 3_765 . . 3_765 ?
C103 Co1 C103 C101 137.2(14) 2_645 . . 3_765 ?
C105 Co1 C103 C101 78.4(11) . . . 3_765 ?
C105 Co1 C103 C101 39.8(12) 3_765 . . 3_765 ?
C101 Co1 C103 C108 168.0(11) 2_645 . . 2_645 ?
C105 Co1 C103 C108 -151(3) . . . 2_645 ?
C105 Co1 C103 C108 -169.2(9) 2_645 . . 2_645 ?
C102 C103 C104 C101 129.8(18) . . . 3_765 ?
C108 C103 C104 C101 64(5) 2_645 . . 3_765 ?
Co1 C103 C104 C101 73.9(18) . . . 3_765 ?
C101 C103 C104 C105 -129.7(18) 3_765 . . . ?
C108 C103 C104 C105 -66(4) 2_645 . . . ?
Co1 C103 C104 C105 -55.8 . . . . ?
C102 C103 C104 Co1 56.0 . . . . ?
C101 C103 C104 Co1 -73.9(18) 3_765 . . . ?
C102 Co1 C104 C101 7.4(16) 3_765 . . 3_765 ?
C102 Co1 C104 C101 122.8(15) 2_645 . . 3_765 ?
C101 Co1 C104 C101 93.3(8) 2_645 . . 3_765 ?
C103 Co1 C104 C101 46.1(15) 3_765 . . 3_765 ?
C103 Co1 C104 C101 169.3(15) 2_645 . . 3_765 ?
C105 Co1 C104 C101 116.1(17) 2_645 . . 3_765 ?
C102 Co1 C104 C105 -146.3(14) 3_765 . . . ?
C102 Co1 C104 C105 83.8 . . . . ?
C101 Co1 C104 C105 37.7 . . . . ?
C101 Co1 C104 C105 -154(3) 3_765 . . . ?
C101 Co1 C104 C105 -60(2) 2_645 . . . ?
C103 Co1 C104 C105 -107.6(13) 3_765 . . . ?
C103 Co1 C104 C105 122.0 . . . . ?
C103 Co1 C104 C105 15.6(16) 2_645 . . . ?
C105 Co1 C104 C105 -62(3) 3_765 . . . ?
C105 Co1 C104 C105 -38(3) 2_645 . . . ?
C102 Co1 C104 C103 91.7(15) 3_765 . . . ?
C102 Co1 C104 C103 -153(3) 2_645 . . . ?
C102 Co1 C104 C103 -38.25(6) . . . . ?
C101 Co1 C104 C103 -84.37(6) . . . . ?
C103 Co1 C104 C103 130.4(13) 3_765 . . . ?
C103 Co1 C104 C103 -106.5(17) 2_645 . . . ?
C105 Co1 C104 C103 -122.02(7) . . . . ?
C102 Co1 C104 C110 39.3(9) 3_765 . . 2_645 ?
C102 Co1 C104 C110 154.7(2) 2_645 . . 2_645 ?
C102 Co1 C104 C110 -91(2) . . . 2_645 ?
C101 Co1 C104 C110 -137(2) . . . 2_645 ?
C101 Co1 C104 C110 31.9(14) 3_765 . . 2_645 ?
C101 Co1 C104 C110 125.1(11) 2_645 . . 2_645 ?
C103 Co1 C104 C110 78.0(11) 3_765 . . 2_645 ?
C103 Co1 C104 C110 -158.9(8) 2_645 . . 2_645 ?
C105 Co1 C104 C110 -174(2) . . . 2_645 ?
C105 Co1 C104 C110 124(4) 3_765 . . 2_645 ?
C105 Co1 C104 C110 148(2) 2_645 . . 2_645 ?
C102 Co1 C104 C109 87.3(8) 3_765 . . 2_645 ?
C102 Co1 C104 C109 -157.3(6) 2_645 . . 2_645 ?
C102 Co1 C104 C109 -43(2) . . . 2_645 ?
C101 Co1 C104 C109 -89(2) . . . 2_645 ?
C101 Co1 C104 C109 79.9(11) 3_765 . . 2_645 ?
C101 Co1 C104 C109 173.2(6) 2_645 . . 2_645 ?
C103 Co1 C104 C109 126.0(9) 3_765 . . 2_645 ?
C103 Co1 C104 C109 -4(2) . . . 2_645 ?
C103 Co1 C104 C109 -110.8(6) 2_645 . . 2_645 ?
C105 Co1 C104 C109 -126(2) . . . 2_645 ?
C105 Co1 C104 C109 172(3) 3_765 . . 2_645 ?
C105 Co1 C104 C109 -164.0(19) 2_645 . . 2_645 ?
C102 C101 C105 C104 0.1 . . . . ?
C103 C101 C105 C104 117.3(7) 2_645 . . . ?
C106 C101 C105 C104 16(3) 3_765 . . . ?
Co1 C101 C105 C104 57.6 . . . . ?
C109 C101 C105 C104 107.0(7) 3_765 . . . ?
C110 C101 C105 Co1 36(4) 3_765 . . . ?
C104 C101 C105 Co1 93(3) 2_645 . . . ?
C102 C101 C105 Co1 -57.5 . . . . ?
C103 C101 C105 Co1 59.7(7) 2_645 . . . ?
C106 C101 C105 Co1 -41(3) 3_765 . . . ?
C109 C101 C105 Co1 49.4(7) 3_765 . . . ?
C105 C104 C105 C101 -138.5(17) 3_765 . . . ?
C103 C104 C105 C101 -0.1 . . . . ?
C110 C104 C105 C101 -47(4) 2_645 . . . ?
Co1 C104 C105 C101 -55.3 . . . . ?
C109 C104 C105 C101 -6.0(18) 2_645 . . . ?
C101 C104 C105 Co1 -34(3) 3_765 . . . ?
C105 C104 C105 Co1 -83.2(17) 3_765 . . . ?
C103 C104 C105 Co1 55.2 . . . . ?
C110 C104 C105 Co1 8(4) 2_645 . . . ?
C109 C104 C105 Co1 49.4(18) 2_645 . . . ?
C102 Co1 C105 C104 -158(2) 3_765 . . 2_645 ?
C102 Co1 C105 C104 -33(2) 2_645 . . 2_645 ?
C102 Co1 C105 C104 85(3) . . . 2_645 ?
C101 Co1 C105 C104 46(3) . . . 2_645 ?
C101 Co1 C105 C104 -179(2) 3_765 . . 2_645 ?
C101 Co1 C105 C104 -72.7(18) 2_645 . . 2_645 ?
C103 Co1 C105 C104 -113.4(19) 3_765 . . 2_645 ?
C103 Co1 C105 C104 131(3) . . . 2_645 ?
C103 Co1 C105 C104 2.5(19) 2_645 . . 2_645 ?
C105 Co1 C105 C104 -142(3) 3_765 . . 2_645 ?
C105 Co1 C105 C104 -79(3) 2_645 . . 2_645 ?
C102 Co1 C105 C101 155.3(17) 3_765 . . . ?
C102 Co1 C105 C101 -79.6(16) 2_645 . . . ?
C102 Co1 C105 C101 38.9 . . . . ?
C101 Co1 C105 C101 134.8(17) 3_765 . . . ?
C101 Co1 C105 C101 -119(2) 2_645 . . . ?
C103 Co1 C105 C101 -159.8(19) 3_765 . . . ?
C103 Co1 C105 C101 84.4 . . . . ?
C103 Co1 C105 C101 -43.9(17) 2_645 . . . ?
C105 Co1 C105 C101 171(4) 3_765 . . . ?
C105 Co1 C105 C101 -125(4) 2_645 . . . ?
C102 Co1 C105 C104 34.0(17) 3_765 . . . ?
C102 Co1 C105 C104 159.1(16) 2_645 . . . ?
C102 Co1 C105 C104 -82.4 . . . . ?
C101 Co1 C105 C104 -121.3 . . . . ?
C101 Co1 C105 C104 13.5(17) 3_765 . . . ?
C101 Co1 C105 C104 120(2) 2_645 . . . ?
C103 Co1 C105 C104 78.8(19) 3_765 . . . ?
C103 Co1 C105 C104 -36.9 . . . . ?
C103 Co1 C105 C104 -165.2(17) 2_645 . . . ?
C105 Co1 C105 C104 50(4) 3_765 . . . ?
C105 Co1 C105 C104 113(4) 2_645 . . . ?
C102 Co1 C106 C102 133(3) 3_765 . . 2_645 ?
C102 Co1 C106 C102 -79(4) . . . 2_645 ?
C101 Co1 C106 C102 -34(4) . . . 2_645 ?
C101 Co1 C106 C102 107(4) 3_765 . . 2_645 ?
C101 Co1 C106 C102 56(2) 2_645 . . 2_645 ?
C103 Co1 C106 C102 106(3) 3_765 . . 2_645 ?
C103 Co1 C106 C102 -124(4) . . . 2_645 ?
C103 Co1 C106 C102 -34(3) 2_645 . . 2_645 ?
C105 Co1 C106 C102 11(4) . . . 2_645 ?
C105 Co1 C106 C102 54(5) 3_765 . . 2_645 ?
C105 Co1 C106 C102 34(4) 2_645 . . 2_645 ?
C102 Co1 C106 C110 47.4(8) 3_765 . . . ?
C102 Co1 C106 C110 -86(4) 2_645 . . . ?
C102 Co1 C106 C110 -165.2 . . . . ?
C101 Co1 C106 C110 -120.14(5) . . . . ?
C101 Co1 C106 C110 21.3(8) 3_765 . . . ?
C101 Co1 C106 C110 -30(3) 2_645 . . . ?
C103 Co1 C106 C110 20.6(8) 3_765 . . . ?
C103 Co1 C106 C110 149.72(18) . . . . ?
C103 Co1 C106 C110 -119.9(10) 2_645 . . . ?
C105 Co1 C106 C110 -74.96(5) . . . . ?
C105 Co1 C106 C110 -31.7(16) 3_765 . . . ?
C105 Co1 C106 C110 -52(2) 2_645 . . . ?
C102 Co1 C106 C107 -71.7(8) 3_765 . . . ?
C102 Co1 C106 C107 155(4) 2_645 . . . ?
C102 Co1 C106 C107 75.59(5) . . . . ?
C101 Co1 C106 C107 120.7 . . . . ?
C101 Co1 C106 C107 -97.9(9) 3_765 . . . ?
C101 Co1 C106 C107 -149(3) 2_645 . . . ?
C103 Co1 C106 C107 -98.5(7) 3_765 . . . ?
C103 Co1 C106 C107 30.53(8) . . . . ?
C103 Co1 C106 C107 120.9(9) 2_645 . . . ?
C105 Co1 C106 C107 165.9 . . . . ?
C105 Co1 C106 C107 -150.9(17) 3_765 . . . ?
C105 Co1 C106 C107 -171(2) 2_645 . . . ?
C102 Co1 C106 C108 -122(2) 3_765 . . 3_765 ?
C102 Co1 C106 C108 105(5) 2_645 . . 3_765 ?
C102 Co1 C106 C108 25.8(18) . . . 3_765 ?
C101 Co1 C106 C108 70.9(18) . . . 3_765 ?
C101 Co1 C106 C108 -147.7(11) 3_765 . . 3_765 ?
C101 Co1 C106 C108 161(3) 2_645 . . 3_765 ?
C103 Co1 C106 C108 -148(2) 3_765 . . 3_765 ?
C103 Co1 C106 C108 -19.3(19) . . . 3_765 ?
C103 Co1 C106 C108 71(2) 2_645 . . 3_765 ?
C105 Co1 C106 C108 116.1(18) . . . 3_765 ?
C105 Co1 C106 C108 159.4(8) 3_765 . . 3_765 ?
C105 Co1 C106 C108 139(3) 2_645 . . 3_765 ?
C102 Co1 C106 C109 -175.6(2) 3_765 . . 3_765 ?
C102 Co1 C106 C109 51(3) 2_645 . . 3_765 ?
C102 Co1 C106 C109 -28.2(7) . . . 3_765 ?
C101 Co1 C106 C109 16.9(7) . . . 3_765 ?
C101 Co1 C106 C109 158.3(12) 3_765 . . 3_765 ?
C101 Co1 C106 C109 107(2) 2_645 . . 3_765 ?
C103 Co1 C106 C109 157.65(13) 3_765 . . 3_765 ?
C103 Co1 C106 C109 -73.3(6) . . . 3_765 ?
C103 Co1 C106 C109 17.1(3) 2_645 . . 3_765 ?
C105 Co1 C106 C109 62.0(7) . . . 3_765 ?
C105 Co1 C106 C109 105.3(18) 3_765 . . 3_765 ?
C105 Co1 C106 C109 85.4(19) 2_645 . . 3_765 ?
C102 Co1 C106 C101 77(2) 3_765 . . 2_645 ?
C102 Co1 C106 C101 -56(2) 2_645 . . 2_645 ?
C102 Co1 C106 C101 -136(3) . . . 2_645 ?
C101 Co1 C106 C101 -90(3) . . . 2_645 ?
C101 Co1 C106 C101 51(3) 3_765 . . 2_645 ?
C103 Co1 C106 C101 50.3(19) 3_765 . . 2_645 ?
C103 Co1 C106 C101 -90.2(18) 2_645 . . 2_645 ?
C105 Co1 C106 C101 -45(3) . . . 2_645 ?
C105 Co1 C106 C101 -2(3) 3_765 . . 2_645 ?
C105 Co1 C106 C101 -21.9(14) 2_645 . . 2_645 ?
C102 C106 C107 C108 -50(4) 2_645 . . 3_765 ?
C110 C106 C107 C108 -137(2) . . . 3_765 ?
C101 C106 C107 C108 -107(4) 2_645 . . 3_765 ?
Co1 C106 C107 C108 -78(2) . . . 3_765 ?
C102 C106 C107 C108 87(3) 2_645 . . . ?
C110 C106 C107 C108 0.1 . . . . ?
C108 C106 C107 C108 137(2) 3_765 . . . ?
C109 C106 C107 C108 119.6(4) 3_765 . . . ?
C101 C106 C107 C108 30(2) 2_645 . . . ?
Co1 C106 C107 C108 59.9 . . . . ?
C110 C106 C107 C102 -87(2) . . . 2_645 ?
C108 C106 C107 C102 50(4) 3_765 . . 2_645 ?
C109 C106 C107 C102 33(2) 3_765 . . 2_645 ?
C101 C106 C107 C102 -56.8(13) 2_645 . . 2_645 ?
Co1 C106 C107 C102 -27(2) . . . 2_645 ?
C102 C106 C107 Co1 27(3) 2_645 . . . ?
C110 C106 C107 Co1 -59.7 . . . . ?
C108 C106 C107 Co1 78(2) 3_765 . . . ?
C109 C106 C107 Co1 59.7(4) 3_765 . . . ?
C101 C106 C107 Co1 -30(2) 2_645 . . . ?
C102 Co1 C107 C108 -171(3) 3_765 . . 3_765 ?
C102 Co1 C107 C108 65(3) 2_645 . . 3_765 ?
C102 Co1 C107 C108 -49(3) . . . 3_765 ?
C101 Co1 C107 C108 -2(3) . . . 3_765 ?
C101 Co1 C107 C108 -157.1(17) 3_765 . . 3_765 ?
C101 Co1 C107 C108 99.7(16) 2_645 . . 3_765 ?
C103 Co1 C107 C108 147(2) 3_765 . . 3_765 ?
C103 Co1 C107 C108 -95(3) . . . 3_765 ?
C103 Co1 C107 C108 27(2) 2_645 . . 3_765 ?
C105 Co1 C107 C108 43(3) . . . 3_765 ?
C105 Co1 C107 C108 136(2) 3_765 . . 3_765 ?
C105 Co1 C107 C108 87.1(10) 2_645 . . 3_765 ?
C102 Co1 C107 C108 -4.7(15) 3_765 . . . ?
C102 Co1 C107 C108 -129.0(19) 2_645 . . . ?
C102 Co1 C107 C108 117.4 . . . . ?
C101 Co1 C107 C108 164.3 . . . . ?
C101 Co1 C107 C108 9(2) 3_765 . . . ?
C101 Co1 C107 C108 -94(2) 2_645 . . . ?
C103 Co1 C107 C108 -46.9(16) 3_765 . . . ?
C103 Co1 C107 C108 71.7 . . . . ?
C103 Co1 C107 C108 -167.0(15) 2_645 . . . ?
C105 Co1 C107 C108 -150.83(5) . . . . ?
C105 Co1 C107 C108 -58(4) 3_765 . . . ?
C105 Co1 C107 C108 -106(3) 2_645 . . . ?
C102 Co1 C107 C106 113.7(16) 3_765 . . . ?
C102 Co1 C107 C106 -11(2) 2_645 . . . ?
C102 Co1 C107 C106 -124.25(6) . . . . ?
C101 Co1 C107 C106 -77.32(6) . . . . ?
C101 Co1 C107 C106 128(2) 3_765 . . . ?
C101 Co1 C107 C106 25(2) 2_645 . . . ?
C103 Co1 C107 C106 71.5(17) 3_765 . . . ?
C103 Co1 C107 C106 -169.90(6) . . . . ?
C103 Co1 C107 C106 -48.6(16) 2_645 . . . ?
C105 Co1 C107 C106 -32.45(5) . . . . ?
C105 Co1 C107 C106 61(4) 3_765 . . . ?
C105 Co1 C107 C106 12(3) 2_645 . . . ?
C102 Co1 C107 C102 124.3(5) 3_765 . . 2_645 ?
C102 Co1 C107 C102 -113.6(19) . . . 2_645 ?
C101 Co1 C107 C102 -66.7(19) . . . 2_645 ?
C101 Co1 C107 C102 138.3(11) 3_765 . . 2_645 ?
C101 Co1 C107 C102 35.1(11) 2_645 . . 2_645 ?
C103 Co1 C107 C102 82.1(5) 3_765 . . 2_645 ?
C103 Co1 C107 C102 -159.3(19) . . . 2_645 ?
C103 Co1 C107 C102 -38.0(5) 2_645 . . 2_645 ?
C105 Co1 C107 C102 -21.8(19) . . . 2_645 ?
C106 C107 C108 C107 -136.9(12) . . . 2_645 ?
C107 C107 C108 C107 -16.3(7) 3_765 . . 2_645 ?
C102 C107 C108 C107 -116.9(16) 2_645 . . 2_645 ?
Co1 C107 C108 C107 -75.4(12) . . . 2_645 ?
C106 C107 C108 C109 -0.1 . . . . ?
C107 C107 C108 C109 120.5(5) 3_765 . . . ?
C107 C107 C108 C109 136.8(12) 2_645 . . . ?
C102 C107 C108 C109 19.9(18) 2_645 . . . ?
Co1 C107 C108 C109 61.4 . . . . ?
C106 C107 C108 C103 -12.1(18) . . . 3_765 ?
C106 C107 C108 Co1 -61.5 . . . . ?
C107 C107 C108 Co1 59.1(5) 3_765 . . . ?
C107 C107 C108 Co1 75.4(11) 2_645 . . . ?
C102 C107 C108 Co1 -41.4(18) 2_645 . . . ?
C105 Co1 C108 C107 -115.5(13) 3_765 . . 2_645 ?
C105 Co1 C108 C107 -159.9(12) 2_645 . . 2_645 ?
C102 Co1 C108 C107 174(2) 3_765 . . . ?
C102 Co1 C108 C107 42.2(13) 2_645 . . . ?
C102 Co1 C108 C107 -81.8 . . . . ?
C101 Co1 C108 C107 -39.4 . . . . ?
C101 Co1 C108 C107 -173.2(13) 3_765 . . . ?
C101 Co1 C108 C107 85.9(15) 2_645 . . . ?
C103 Co1 C108 C107 120(2) 3_765 . . . ?
C103 Co1 C108 C107 -126.9 . . . . ?
C103 Co1 C108 C107 15.5(16) 2_645 . . . ?
C105 Co1 C108 C107 149.2 . . . . ?
C105 Co1 C108 C107 152(2) 3_765 . . . ?
C105 Co1 C108 C107 108(2) 2_645 . . . ?
C102 Co1 C108 C109 56(2) 3_765 . . . ?
C102 Co1 C108 C109 -75.5(13) 2_645 . . . ?
C102 Co1 C108 C109 160.5 . . . . ?
C101 Co1 C108 C109 -157.2 . . . . ?
C101 Co1 C108 C109 69.1(14) 3_765 . . . ?
C101 Co1 C108 C109 -31.8(15) 2_645 . . . ?
C103 Co1 C108 C109 2(2) 3_765 . . . ?
C103 Co1 C108 C109 115.4 . . . . ?
C103 Co1 C108 C109 -102.2(16) 2_645 . . . ?
C105 Co1 C108 C109 31.5 . . . . ?
C105 Co1 C108 C109 34(2) 3_765 . . . ?
C105 Co1 C108 C109 -10(2) 2_645 . . . ?
C102 Co1 C108 C106 -27.7(9) 3_765 . . 2_645 ?
C102 Co1 C108 C106 -159.5(9) 2_645 . . 2_645 ?
C102 Co1 C108 C106 76.4(18) . . . 2_645 ?
C101 Co1 C108 C106 118.8(18) . . . 2_645 ?
C101 Co1 C108 C106 -14.9(10) 3_765 . . 2_645 ?
C101 Co1 C108 C106 -115.9(9) 2_645 . . 2_645 ?
C103 Co1 C108 C106 -81.7(7) 3_765 . . 2_645 ?
C103 Co1 C108 C106 31.4(18) . . . 2_645 ?
C103 Co1 C108 C106 173.8(6) 2_645 . . 2_645 ?
C105 Co1 C108 C106 -52.5(18) . . . 2_645 ?
C105 Co1 C108 C106 -50(2) 3_765 . . 2_645 ?
C105 Co1 C108 C106 -94(2) 2_645 . . 2_645 ?
C102 Co1 C108 C102 -131.8(7) 2_645 . . 3_765 ?
C102 Co1 C108 C102 104(2) . . . 3_765 ?
C101 Co1 C108 C102 147(2) . . . 3_765 ?
C101 Co1 C108 C102 12.8(12) 3_765 . . 3_765 ?
C101 Co1 C108 C102 -88.1(12) 2_645 . . 3_765 ?
C103 Co1 C108 C102 -54.0(5) 3_765 . . 3_765 ?
C103 Co1 C108 C102 59(2) . . . 3_765 ?
C103 Co1 C108 C102 -158.5(5) 2_645 . . 3_765 ?
C105 Co1 C108 C102 -25(2) . . . 3_765 ?
C105 Co1 C108 C102 -22(3) 3_765 . . 3_765 ?
C105 Co1 C108 C102 -66(3) 2_645 . . 3_765 ?
C102 Co1 C108 C103 54.0(5) 3_765 . . 3_765 ?
C102 Co1 C108 C103 -77.8(10) 2_645 . . 3_765 ?
C102 Co1 C108 C103 158(2) . . . 3_765 ?
C101 Co1 C108 C103 -159(2) . . . 3_765 ?
C101 Co1 C108 C103 66.8(11) 3_765 . . 3_765 ?
C101 Co1 C108 C103 -34.2(10) 2_645 . . 3_765 ?
C103 Co1 C108 C103 113(2) . . . 3_765 ?
C103 Co1 C108 C103 -104.6(6) 2_645 . . 3_765 ?
C107 C108 C109 C102 -126.9(17) . . . 3_765 ?
C106 C108 C109 C102 8.8(17) 2_645 . . 3_765 ?
Co1 C108 C109 C102 -65.1(18) . . . 3_765 ?
C107 C108 C109 C110 105(5) 2_645 . . . ?
C107 C108 C109 C110 0.1 . . . . ?
C106 C108 C109 C110 135.8(11) 2_645 . . . ?
C102 C108 C109 C110 127.0(17) 3_765 . . . ?
C103 C108 C109 C110 71(8) 3_765 . . . ?
Co1 C108 C109 C110 61.8 . . . . ?
C107 C108 C109 C106 -31(4) 2_645 . . 2_645 ?
C107 C108 C109 C106 -135.7(11) . . . 2_645 ?
C102 C108 C109 C106 -8.8(17) 3_765 . . 2_645 ?
C103 C108 C109 C106 -65(9) 3_765 . . 2_645 ?
Co1 C108 C109 C106 -73.9(11) . . . 2_645 ?
C107 C108 C109 C101 -27.1(8) . . . 2_645 ?
C106 C108 C109 C101 108.6(13) 2_645 . . 2_645 ?
C102 C108 C109 C101 99.9(13) 3_765 . . 2_645 ?
C103 C108 C109 C101 44(9) 3_765 . . 2_645 ?
Co1 C108 C109 C101 34.7(8) . . . 2_645 ?
C107 C108 C109 C104 47(7) 2_645 . . 3_765 ?
C107 C108 C109 C104 -58(3) . . . 3_765 ?
C106 C108 C109 C104 78(4) 2_645 . . 3_765 ?
C102 C108 C109 C104 69(4) 3_765 . . 3_765 ?
C103 C108 C109 C104 13(6) 3_765 . . 3_765 ?
Co1 C108 C109 C104 4(3) . . . 3_765 ?
C107 C108 C109 Co1 43(5) 2_645 . . . ?
C107 C108 C109 Co1 -61.8 . . . . ?
C106 C108 C109 Co1 73.9(11) 2_645 . . . ?
C102 C108 C109 Co1 65.1(17) 3_765 . . . ?
C103 C108 C109 Co1 9(8) 3_765 . . . ?
C102 Co1 C109 C103 89(6) 3_765 . . 3_765 ?
C102 Co1 C109 C103 -87(6) 2_645 . . 3_765 ?
C102 Co1 C109 C103 127(7) . . . 3_765 ?
C101 Co1 C109 C103 -29(7) . . . 3_765 ?
C101 Co1 C109 C103 65(6) 3_765 . . 3_765 ?
C101 Co1 C109 C103 -45(6) 2_645 . . 3_765 ?
C103 Co1 C109 C103 91(6) . . . 3_765 ?
C103 Co1 C109 C103 -83(6) 2_645 . . 3_765 ?
C105 Co1 C109 C103 6(6) . . . 3_765 ?
C105 Co1 C109 C103 22(6) 3_765 . . 3_765 ?
C105 Co1 C109 C103 -15(6) 2_645 . . 3_765 ?
C102 Co1 C109 C102 -176.1(2) 2_645 . . 3_765 ?
C102 Co1 C109 C102 37.7(5) . . . 3_765 ?
C101 Co1 C109 C102 -117.7(6) . . . 3_765 ?
C101 Co1 C109 C102 -24.4(6) 3_765 . . 3_765 ?
C101 Co1 C109 C102 -134.3(7) 2_645 . . 3_765 ?
C103 Co1 C109 C102 -89(6) 3_765 . . 3_765 ?
C103 Co1 C109 C102 2.3(5) . . . 3_765 ?
C103 Co1 C109 C102 -171.6(5) 2_645 . . 3_765 ?
C105 Co1 C109 C102 -82.7(6) . . . 3_765 ?
C105 Co1 C109 C102 -66.9(19) 3_765 . . 3_765 ?
C105 Co1 C109 C102 -103.6(16) 2_645 . . 3_765 ?
C102 Co1 C109 C110 157.8(6) 3_765 . . . ?
C102 Co1 C109 C110 -18.3(3) 2_645 . . . ?
C102 Co1 C109 C110 -164.5 . . . . ?
C101 Co1 C109 C110 40.1 . . . . ?
C101 Co1 C109 C110 133.4(6) 3_765 . . . ?
C101 Co1 C109 C110 23.5(10) 2_645 . . . ?
C103 Co1 C109 C110 69(6) 3_765 . . . ?
C103 Co1 C109 C110 160.1 . . . . ?
C103 Co1 C109 C110 -13.77(13) 2_645 . . . ?
C105 Co1 C109 C110 75.1 . . . . ?
C105 Co1 C109 C110 91(2) 3_765 . . . ?
C105 Co1 C109 C110 54.2(16) 2_645 . . . ?
C102 Co1 C109 C108 -84.2(5) 3_765 . . . ?
C102 Co1 C109 C108 99.7(3) 2_645 . . . ?
C102 Co1 C109 C108 -46.4 . . . . ?
C101 Co1 C109 C108 158.12(7) . . . . ?
C101 Co1 C109 C108 -108.5(5) 3_765 . . . ?
C101 Co1 C109 C108 141.6(10) 2_645 . . . ?
C103 Co1 C109 C108 -173(6) 3_765 . . . ?
C103 Co1 C109 C108 -81.8 . . . . ?
C103 Co1 C109 C108 104.29(11) 2_645 . . . ?
C105 Co1 C109 C108 -166.9 . . . . ?
C105 Co1 C109 C108 -151(2) 3_765 . . . ?
C105 Co1 C109 C108 172.3(16) 2_645 . . . ?
C102 Co1 C109 C106 -26.7(12) 3_765 . . 2_645 ?
C102 Co1 C109 C106 157.2(10) 2_645 . . 2_645 ?
C102 Co1 C109 C106 11.0(7) . . . 2_645 ?
C101 Co1 C109 C106 -144.4(6) . . . 2_645 ?
C101 Co1 C109 C106 -51.1(8) 3_765 . . 2_645 ?
C101 Co1 C109 C106 -161.0(13) 2_645 . . 2_645 ?
C103 Co1 C109 C106 -116(7) 3_765 . . 2_645 ?
C103 Co1 C109 C106 -24.4(7) . . . 2_645 ?
C103 Co1 C109 C106 161.7(7) 2_645 . . 2_645 ?
C105 Co1 C109 C106 -109.4(7) . . . 2_645 ?
C105 Co1 C109 C106 -94(2) 3_765 . . 2_645 ?
C105 Co1 C109 C106 -130.3(15) 2_645 . . 2_645 ?
C102 Co1 C109 C101 134.3(7) 3_765 . . 2_645 ?
C102 Co1 C109 C101 -41.8(8) 2_645 . . 2_645 ?
C102 Co1 C109 C101 172.0(10) . . . 2_645 ?
C101 Co1 C109 C101 16.6(10) . . . 2_645 ?
C101 Co1 C109 C101 109.9(6) 3_765 . . 2_645 ?
C103 Co1 C109 C101 45(6) 3_765 . . 2_645 ?
C103 Co1 C109 C101 136.6(10) . . . 2_645 ?
C103 Co1 C109 C101 -37.3(9) 2_645 . . 2_645 ?
C105 Co1 C109 C101 51.6(9) . . . 2_645 ?
C105 Co1 C109 C101 67.4(14) 3_765 . . 2_645 ?
C105 Co1 C109 C101 30.7(10) 2_645 . . 2_645 ?
C102 Co1 C109 C104 99(2) 3_765 . . 3_765 ?
C102 Co1 C109 C104 -77(3) 2_645 . . 3_765 ?
C102 Co1 C109 C104 137(3) . . . 3_765 ?
C101 Co1 C109 C104 75(2) 3_765 . . 3_765 ?
C101 Co1 C109 C104 -34.9(19) 2_645 . . 3_765 ?
C103 Co1 C109 C104 10(4) 3_765 . . 3_765 ?
C103 Co1 C109 C104 102(3) . . . 3_765 ?
C103 Co1 C109 C104 -72(3) 2_645 . . 3_765 ?
C105 Co1 C109 C104 32.5(14) 3_765 . . 3_765 ?
C102 C109 C110 C106 85.9(17) 3_765 . . . ?
C106 C109 C110 C106 54.4(9) 2_645 . . . ?
C101 C109 C110 C106 109(4) 2_645 . . . ?
C104 C109 C110 C106 124.2(14) 3_765 . . . ?
Co1 C109 C110 C106 60.4 . . . . ?
C103 C109 C110 C102 102(3) 3_765 . . 2_645 ?
C102 C109 C110 C102 53.7(4) 3_765 . . 2_645 ?
C108 C109 C110 C102 -32.2(13) . . . 2_645 ?
C106 C109 C110 C102 22(2) 2_645 . . 2_645 ?
C101 C109 C110 C102 77(5) 2_645 . . 2_645 ?
C104 C109 C110 C102 92.0(14) 3_765 . . 2_645 ?
Co1 C109 C110 C102 28.2(13) . . . 2_645 ?
C103 C109 C110 C104 10(4) 3_765 . . 3_765 ?
C102 C109 C110 C104 -38.3(17) 3_765 . . 3_765 ?
C108 C109 C110 C104 -124.2(14) . . . 3_765 ?
C106 C109 C110 C104 -69.7(17) 2_645 . . 3_765 ?
C101 C109 C110 C104 -15(5) 2_645 . . 3_765 ?
Co1 C109 C110 C104 -63.8(14) . . . 3_765 ?
C103 C109 C110 Co1 74(5) 3_765 . . . ?
C102 C109 C110 Co1 25.5(17) 3_765 . . . ?
C108 C109 C110 Co1 -60.4 . . . . ?
C106 C109 C110 Co1 -6.0(8) 2_645 . . . ?
C101 C109 C110 Co1 49(4) 2_645 . . . ?
C104 C109 C110 Co1 63.8(14) 3_765 . . . ?
C102 C106 C110 C101 -7(3) 2_645 . . 2_645 ?
C107 C106 C110 C101 116.4(14) . . . 2_645 ?
C108 C106 C110 C101 72(2) 3_765 . . 2_645 ?
C109 C106 C110 C101 14.4(17) 3_765 . . 2_645 ?
Co1 C106 C110 C101 57.3(14) . . . 2_645 ?
C102 C106 C110 C103 -102.3(16) 2_645 . . 3_765 ?
C107 C106 C110 C103 21.2(16) . . . 3_765 ?
C108 C106 C110 C103 -23(3) 3_765 . . 3_765 ?
C109 C106 C110 C103 -80.8(12) 3_765 . . 3_765 ?
C101 C106 C110 C103 -95(2) 2_645 . . 3_765 ?
Co1 C106 C110 C103 -37.9(16) . . . 3_765 ?
C102 C106 C110 C109 -124(3) 2_645 . . . ?
C107 C106 C110 C109 -0.1 . . . . ?
C109 C106 C110 C109 -102.1(6) 3_765 . . . ?
C101 C106 C110 C109 -116.5(15) 2_645 . . . ?
Co1 C106 C110 C109 -59.2 . . . . ?
C107 C106 C110 C102 123(3) . . . 2_645 ?
C108 C106 C110 C102 79(5) 3_765 . . 2_645 ?
C109 C106 C110 C102 21(3) 3_765 . . 2_645 ?
C101 C106 C110 C102 7(3) 2_645 . . 2_645 ?
Co1 C106 C110 C102 64(3) . . . 2_645 ?
C102 C106 C110 C104 -32(6) 2_645 . . 3_765 ?
C107 C106 C110 C104 92(3) . . . 3_765 ?
C108 C106 C110 C104 47(3) 3_765 . . 3_765 ?
C109 C106 C110 C104 -10(4) 3_765 . . 3_765 ?
C101 C106 C110 C104 -24(3) 2_645 . . 3_765 ?
Co1 C106 C110 C104 33(3) . . . 3_765 ?
C102 C106 C110 Co1 -64(3) 2_645 . . . ?
C107 C106 C110 Co1 59.1 . . . . ?
C108 C106 C110 Co1 15(2) 3_765 . . . ?
C109 C106 C110 Co1 -42.9(5) 3_765 . . . ?
C101 C106 C110 Co1 -57.3(14) 2_645 . . . ?
C102 Co1 C110 C101 114(4) 3_765 . . 2_645 ?
C102 Co1 C110 C101 -79(4) 2_645 . . 2_645 ?
C102 Co1 C110 C101 -71(4) . . . 2_645 ?
C101 Co1 C110 C101 -35(4) . . . 2_645 ?
C101 Co1 C110 C101 80(5) 3_765 . . 2_645 ?
C103 Co1 C110 C101 102(4) 3_765 . . 2_645 ?
C103 Co1 C110 C101 86(4) . . . 2_645 ?
C103 Co1 C110 C101 -63(4) 2_645 . . 2_645 ?
C105 Co1 C110 C101 8(4) . . . 2_645 ?
C105 Co1 C110 C101 41(4) 3_765 . . 2_645 ?
C105 Co1 C110 C101 9(3) 2_645 . . 2_645 ?
C102 Co1 C110 C103 12.06(10) 3_765 . . 3_765 ?
C101 Co1 C110 C103 -136.81(7) . . . 3_765 ?
C101 Co1 C110 C103 -21.6(8) 3_765 . . 3_765 ?
C101 Co1 C110 C103 -102(4) 2_645 . . 3_765 ?
C103 Co1 C110 C103 -15.82(8) . . . 3_765 ?
C103 Co1 C110 C103 -165.1(2) 2_645 . . 3_765 ?
C105 Co1 C110 C103 -93.96(6) . . . 3_765 ?
C105 Co1 C110 C103 -60.7(15) 3_765 . . 3_765 ?
C105 Co1 C110 C103 -92(2) 2_645 . . 3_765 ?
C102 Co1 C110 C109 -14.62(7) 3_765 . . . ?
C102 Co1 C110 C109 152.8(3) 2_645 . . . ?
C102 Co1 C110 C109 160.3 . . . . ?
C101 Co1 C110 C109 -163.5 . . . . ?
C101 Co1 C110 C109 -48.3(8) 3_765 . . . ?
C101 Co1 C110 C109 -128(4) 2_645 . . . ?
C103 Co1 C110 C109 -26.67(7) 3_765 . . . ?
C103 Co1 C110 C109 -42.5 . . . . ?
C103 Co1 C110 C109 168.3(2) 2_645 . . . ?
C105 Co1 C110 C109 -120.6 . . . . ?
C105 Co1 C110 C109 -87.4(16) 3_765 . . . ?
C105 Co1 C110 C109 -119(2) 2_645 . . . ?
C102 Co1 C110 C106 -133.52(10) 3_765 . . . ?
C102 Co1 C110 C106 33.9(3) 2_645 . . . ?
C102 Co1 C110 C106 41.41(5) . . . . ?
C101 Co1 C110 C106 77.6 . . . . ?
C101 Co1 C110 C106 -167.2(8) 3_765 . . . ?
C101 Co1 C110 C106 113(4) 2_645 . . . ?
C103 Co1 C110 C106 -145.57(7) 3_765 . . . ?
C103 Co1 C110 C106 -161.4 . . . . ?
C103 Co1 C110 C106 49.4(2) 2_645 . . . ?
C105 Co1 C110 C106 120.5 . . . . ?
C105 Co1 C110 C106 153.7(16) 3_765 . . . ?
C105 Co1 C110 C106 122(2) 2_645 . . . ?
C102 Co1 C110 C102 -167.4(2) 3_765 . . 2_645 ?
C102 Co1 C110 C102 7.5(3) . . . 2_645 ?
C101 Co1 C110 C102 43.7(3) . . . 2_645 ?
C101 Co1 C110 C102 158.9(5) 3_765 . . 2_645 ?
C101 Co1 C110 C102 79(4) 2_645 . . 2_645 ?
C103 Co1 C110 C102 164.7(2) . . . 2_645 ?
C103 Co1 C110 C102 15.48(10) 2_645 . . 2_645 ?
C105 Co1 C110 C102 86.6(3) . . . 2_645 ?
C105 Co1 C110 C102 119.8(16) 3_765 . . 2_645 ?
C105 Co1 C110 C102 88(2) 2_645 . . 2_645 ?
C102 Co1 C110 C104 76(2) 3_765 . . 3_765 ?
C102 Co1 C110 C104 -116(3) 2_645 . . 3_765 ?
C102 Co1 C110 C104 -109(2) . . . 3_765 ?
C101 Co1 C110 C104 -72(2) . . . 3_765 ?
C101 Co1 C110 C104 43(3) 3_765 . . 3_765 ?
C101 Co1 C110 C104 -37(3) 2_645 . . 3_765 ?
C103 Co1 C110 C104 64(2) 3_765 . . 3_765 ?
C103 Co1 C110 C104 49(2) . . . 3_765 ?
C103 Co1 C110 C104 -101(3) 2_645 . . 3_765 ?
C105 Co1 C110 C104 -30(2) . . . 3_765 ?
C105 Co1 C110 C104 3.7(16) 3_765 . . 3_765 ?
C105 Co1 C110 C104 -27.8(16) 2_645 . . 3_765 ?
N3S C11S N3S C10S 32.5(5) 2_645 . . . ?
N3S C11S N3S C10S -32.5(5) 3_765 . . . ?
N3S C10S N3S C11S -32.5(5) 2_645 . . . ?
N3S C10S N3S C11S 32.5(5) 3_765 . . . ?
O10S O1S O9S O2S -109(4) . . . . ?
O2S O9S O10S O1S 87(4) . . . . ?
