#------------------------------------------------------------------------------
#$Date: 2023-06-05 07:01:09 +0300 (Mon, 05 Jun 2023) $
#$Revision: 284220 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/89/1568969.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_1568969
loop_
_publ_author_name
'Fang, Pengwei'
'Chen, Muqing'
'Yin, Nan'
'Zhuang, Guilin'
'Chen, Tianyun'
'Zhang, Xinyu'
'Du, Pingwu'
_publ_section_title
;
 Regulating supramolecular interactions in dimeric macrocycles.
;
_journal_issue                   20
_journal_name_full               'Chemical science'
_journal_page_first              5425
_journal_page_last               5430
_journal_paper_doi               10.1039/d3sc00035d
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C315 H110'
_chemical_formula_weight         3894.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-20 deposited with the CCDC.	2023-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.3310(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.6555(2)
_cell_length_b                   38.6556(5)
_cell_length_c                   25.2345(3)
_cell_measurement_reflns_used    128766
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      69.609
_cell_measurement_theta_min      2.495
_cell_volume                     19431.5(4)
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0563
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            128766
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.609
_diffrn_reflns_theta_min         2.495
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.584
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79378
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_description       Block
_exptl_crystal_F_000             8000
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.994
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3790
_refine_ls_number_reflns         35548
_refine_ls_number_restraints     3508
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1629
_refine_ls_R_factor_gt           0.1416
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.3000P)²+45.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4175
_refine_ls_wR_factor_ref         0.4408
_reflns_Friedel_coverage         0.000
_reflns_number_gt                26862
_reflns_number_total             35548
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc00035d2.cif
_cod_data_source_block           exp_9657_auto_sqd_sqd_sqd
_cod_depositor_comments
'Adding full bibliography for 1568967--1568969.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1568969
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C004 C 0.6387(2) 0.49610(12) 0.29802(17) 0.0269(9) Uani 1 1 d . . . A 2
H004 H 0.668092 0.485384 0.279677 0.032 Uiso 1 1 calc R U . A 2
C005 C 0.6166(2) 0.43877(12) 0.33307(17) 0.0264(9) Uani 1 1 d . . . A 2
C006 C 0.6192(2) 0.53021(12) 0.28595(17) 0.0291(9) Uani 1 1 d . . . A 2
H006 H 0.636456 0.542622 0.260203 0.035 Uiso 1 1 calc R U . A 2
C007 C 0.4794(2) 0.37413(11) 0.27224(17) 0.0244(8) Uani 1 1 d . . . A 2
C008 C 0.6072(2) 0.35685(11) 0.19029(17) 0.0253(9) Uani 1 1 d . . . A 2
H008 H 0.641588 0.373548 0.192770 0.030 Uiso 1 1 calc R U . A 2
C009 C 0.6156(2) 0.47720(12) 0.33699(16) 0.0256(9) Uani 1 1 d . . . A 2
C00A C 0.7419(2) 0.43555(11) 0.34943(17) 0.0264(9) Uani 1 1 d . . . A 2
C00B C 0.5540(2) 0.42197(11) 0.31859(16) 0.0230(8) Uani 1 1 d . . . A 2
C00C C 0.5146(2) 0.30448(11) 0.18336(18) 0.0278(9) Uani 1 1 d . . . A 2
H00C H 0.484956 0.285461 0.181477 0.033 Uiso 1 1 calc R U . A 2
C00E C 0.2364(2) 0.57220(13) -0.17784(18) 0.0302(10) Uani 1 1 d . . . A 2
H00E H 0.273247 0.586683 -0.178807 0.036 Uiso 1 1 calc R U . A 2
C00F C 0.3869(2) 0.31867(13) -0.02581(19) 0.0331(10) Uani 1 1 d . . . A 2
C00G C 0.6689(2) 0.38717(11) 0.30531(16) 0.0229(8) Uani 1 1 d . . . A 2
C00H C 0.6748(2) 0.42039(12) 0.32989(16) 0.0249(9) Uani 1 1 d . . . A 2
C00I C 0.5810(2) 0.49549(13) 0.36814(17) 0.0300(10) Uani 1 1 d . . . A 2
H00I H 0.571154 0.484548 0.398795 0.036 Uiso 1 1 calc R U . A 2
C00J C 0.6041(2) 0.37215(11) 0.28403(16) 0.0236(8) Uani 1 1 d . . . A 2
C00K C 0.4887(2) 0.43999(12) 0.31611(17) 0.0264(9) Uani 1 1 d . . . A 2
C00L C 0.7298(2) 0.36990(12) 0.29931(16) 0.0266(9) Uani 1 1 d . . . A 2
C00M C 0.5606(2) 0.52925(13) 0.35566(18) 0.0307(9) Uani 1 1 d . . . A 2
H00M H 0.536609 0.540975 0.377605 0.037 Uiso 1 1 calc R U . A 2
C00N C 0.7354(2) 0.33402(13) 0.29969(18) 0.0320(10) Uani 1 1 d . . . A 2
H00N H 0.697638 0.320458 0.301286 0.038 Uiso 1 1 calc R U . A 2
C00O C 0.5899(2) 0.34660(11) 0.23804(17) 0.0243(8) Uani 1 1 d . . . A 2
C00P C 0.7928(2) 0.42396(13) 0.32578(17) 0.0295(10) Uani 1 1 d . . . A 2
C00Q C 0.2108(2) 0.60875(12) -0.10534(19) 0.0304(10) Uani 1 1 d . . . A 2
C00R C 0.7587(2) 0.45772(12) 0.39478(17) 0.0270(9) Uani 1 1 d . . . A 2
H00R H 0.725080 0.464018 0.412373 0.032 Uiso 1 1 calc R U . A 2
C00S C 0.5246(2) 0.31800(12) 0.13495(18) 0.0284(9) Uani 1 1 d . . . A 2
C00T C 0.5752(2) 0.34311(11) 0.13990(17) 0.0251(9) Uani 1 1 d . . . A 2
H00T H 0.587341 0.350669 0.108030 0.030 Uiso 1 1 calc R U . A 2
C00U C 0.2727(2) 0.33335(13) -0.0859(2) 0.0342(10) Uani 1 1 d . . . A 2
H00U H 0.252055 0.318556 -0.065168 0.041 Uiso 1 1 calc R U . A 2
C00V C 0.1778(2) 0.51807(14) -0.19961(17) 0.0318(10) Uani 1 1 d . . . A 2
C00W C 0.3421(2) 0.33205(12) -0.07758(18) 0.0304(10) Uani 1 1 d . . . A 2
C00X C 0.5748(2) 0.54657(13) 0.31078(18) 0.0306(10) Uani 1 1 d . . . A 2
C00Y C 0.5484(2) 0.38848(12) 0.29529(16) 0.0247(9) Uani 1 1 d . . . A 2
C00Z C 0.1867(2) 0.47984(13) -0.20115(18) 0.0312(10) Uani 1 1 d . . . A 2
C010 C 0.3466(2) 0.35071(13) 0.22784(18) 0.0308(10) Uani 1 1 d . . . A 2
C011 C 0.3200(2) 0.64862(13) 0.0522(2) 0.0346(10) Uani 1 1 d . . . A 2
C012 C 0.4466(2) 0.42959(12) 0.34679(18) 0.0293(9) Uani 1 1 d . . . A 2
H012 H 0.462312 0.413349 0.375572 0.035 Uiso 1 1 calc R U . A 2
C013 C 0.4655(2) 0.46504(12) 0.27620(18) 0.0283(9) Uani 1 1 d . . . A 2
H013 H 0.494549 0.473528 0.255585 0.034 Uiso 1 1 calc R U . A 2
C014 C 0.7860(2) 0.39019(13) 0.29947(17) 0.0303(10) Uani 1 1 d . . . A 2
C015 C 0.4417(2) 0.38456(12) 0.21999(17) 0.0277(9) Uani 1 1 d . . . A 2
H015 H 0.461135 0.399843 0.199056 0.033 Uiso 1 1 calc R U . A 2
C016 C 0.1889(2) 0.58359(13) -0.15170(19) 0.0320(10) Uani 1 1 d . . . A 2
C017 C 0.2229(2) 0.46264(14) -0.23296(18) 0.0330(10) Uani 1 1 d . . . A 2
H017 H 0.233548 0.474378 -0.262645 0.040 Uiso 1 1 calc R U . A 2
C018 C 0.9464(2) 0.17328(13) 0.5374(2) 0.0386(11) Uani 1 1 d . . . A 2
C019 C 0.3297(2) 0.37200(12) -0.15403(18) 0.0293(9) Uani 1 1 d . . . A 2
H019 H 0.348723 0.383276 -0.179796 0.035 Uiso 1 1 calc R U . A 2
C01A C 0.2431(2) 0.42905(14) -0.22165(19) 0.0336(10) Uani 1 1 d . . . A 2
H01A H 0.267470 0.417977 -0.243964 0.040 Uiso 1 1 calc R U . A 2
C01B C 0.2590(2) 0.63473(13) -0.1023(2) 0.0346(10) Uani 1 1 d . . . A 2
H01B H 0.269696 0.642040 -0.134959 0.042 Uiso 1 1 calc R U . A 2
C01C C 0.4556(2) 0.31298(14) -0.0198(2) 0.0359(11) Uani 1 1 d . . . A 2
H01C H 0.471859 0.310965 -0.051515 0.043 Uiso 1 1 calc R U . A 2
C01D C 0.5629(3) 0.60317(13) 0.25868(19) 0.0332(10) Uani 1 1 d . . . A 2
H01D H 0.610238 0.606020 0.267357 0.040 Uiso 1 1 calc R U . A 2
C01E C 0.2335(2) 0.35561(13) -0.1236(2) 0.0345(10) Uani 1 1 d . . . A 2
H01E H 0.186245 0.355863 -0.128562 0.041 Uiso 1 1 calc R U . A 2
C01F C 0.3773(2) 0.37318(13) 0.19852(19) 0.0326(10) Uani 1 1 d . . . A 2
H01F H 0.353005 0.380705 0.162987 0.039 Uiso 1 1 calc R U . A 2
C01H C 0.3563(2) 0.46580(12) 0.29484(19) 0.0296(9) Uani 1 1 d . . . A 2
C01I C 0.3887(3) 0.65326(13) 0.0606(2) 0.0354(10) Uani 1 1 d . . . A 2
H01I H 0.406403 0.659506 0.030769 0.043 Uiso 1 1 calc R U . A 2
C01J C 0.5470(2) 0.31817(11) 0.23424(17) 0.0260(9) Uani 1 1 d . . . A 2
H01J H 0.540140 0.308172 0.266698 0.031 Uiso 1 1 calc R U . A 2
C01K C 0.4493(2) 0.35160(13) 0.30160(18) 0.0285(9) Uani 1 1 d . . . A 2
H01K H 0.473744 0.343885 0.336957 0.034 Uiso 1 1 calc R U . A 2
C01L C 0.4009(2) 0.47784(13) 0.26596(18) 0.0306(10) Uani 1 1 d . . . A 2
H01L H 0.386494 0.495177 0.238709 0.037 Uiso 1 1 calc R U . A 2
C01M C 0.5352(2) 0.57612(12) 0.28357(19) 0.0314(10) Uani 1 1 d . . . A 2
C01N C 0.7942(2) 0.31737(14) 0.29784(19) 0.0351(11) Uani 1 1 d . . . A 2
C01O C 0.2910(2) 0.64977(13) -0.0532(2) 0.0362(11) Uani 1 1 d . . . A 2
H01O H 0.323721 0.667146 -0.052474 0.043 Uiso 1 1 calc R U . A 2
C01P C 0.3652(3) 0.31724(15) 0.0218(2) 0.0375(11) Uani 1 1 d . . . A 2
H01P H 0.318541 0.318753 0.018950 0.045 Uiso 1 1 calc R U . A 2
C01Q C 0.3841(2) 0.34033(13) 0.2799(2) 0.0331(10) Uani 1 1 d . . . A 2
H01Q H 0.364357 0.325201 0.300890 0.040 Uiso 1 1 calc R U . A 2
C01R C 0.4313(2) 0.64869(12) 0.1128(2) 0.0325(10) Uani 1 1 d . . . A 2
H01R H 0.478079 0.652357 0.118282 0.039 Uiso 1 1 calc R U . A 2
C01S C 0.2291(2) 0.41050(13) -0.17827(18) 0.0319(10) Uani 1 1 d . . . A 2
C01T C 0.2305(2) 0.53984(13) -0.20252(17) 0.0296(10) Uani 1 1 d . . . A 2
H01T H 0.262300 0.532553 -0.221354 0.036 Uiso 1 1 calc R U . A 2
C01U C 0.4077(2) 0.63891(12) 0.1575(2) 0.0331(10) Uani 1 1 d . . . A 2
C01V C 0.4522(2) 0.62193(12) 0.2068(2) 0.0316(10) Uani 1 1 d . . . A 2
C01W C 0.2766(2) 0.64017(13) -0.0040(2) 0.0317(10) Uani 1 1 d . . . A 2
C01X C 0.4792(2) 0.31187(12) 0.07942(19) 0.0307(10) Uani 1 1 d . . . A 2
C01Y C 0.2625(2) 0.37811(13) -0.15514(19) 0.0324(10) Uani 1 1 d . . . A 2
C01Z C 0.4098(3) 0.31368(14) 0.0733(2) 0.0361(11) Uani 1 1 d . . . A 2
H01Z H 0.393130 0.312446 0.104915 0.043 Uiso 1 1 calc R U . A 2
C020 C 0.1677(2) 0.46065(13) -0.16053(18) 0.0311(10) Uani 1 1 d . . . A 2
H020 H 0.140174 0.471046 -0.140226 0.037 Uiso 1 1 calc R U . A 2
C021 C 0.3685(2) 0.34973(13) -0.11577(19) 0.0309(10) Uani 1 1 d . . . A 2
H021 H 0.414155 0.346280 -0.115278 0.037 Uiso 1 1 calc R U . A 2
C022 C 0.1239(2) 0.53206(14) -0.1829(2) 0.0349(11) Uani 1 1 d . . . A 2
H022 H 0.083277 0.519386 -0.187930 0.042 Uiso 1 1 calc R U . A 2
C023 C 0.5216(2) 0.62554(12) 0.22177(19) 0.0320(10) Uani 1 1 d . . . A 2
H023 H 0.541333 0.643837 0.206286 0.038 Uiso 1 1 calc R U . A 2
C024 C 0.2237(2) 0.61642(14) -0.0079(2) 0.0363(11) Uani 1 1 d . . . A 2
H024 H 0.210225 0.610708 0.024232 0.044 Uiso 1 1 calc R U . A 2
C025 C 0.8236(2) 0.47086(13) 0.41496(19) 0.0338(10) Uani 1 1 d . . . A 2
C026 C 0.1914(2) 0.60137(14) -0.0571(2) 0.0364(11) Uani 1 1 d . . . A 2
H026 H 0.155420 0.585764 -0.058566 0.044 Uiso 1 1 calc R U . A 2
C027 C 0.2828(2) 0.47829(14) 0.2785(2) 0.0367(11) Uani 1 1 d . . . A 2
C028 C 0.9834(3) 0.17395(15) 0.5959(2) 0.0438(12) Uani 1 1 d . . . A 2
C029 C 0.3811(2) 0.44218(13) 0.33696(19) 0.0318(10) Uani 1 1 d . . . A 2
H029 H 0.353292 0.434569 0.359194 0.038 Uiso 1 1 calc R U . A 2
C02A C 0.5003(2) 0.31026(13) 0.03212(18) 0.0338(10) Uani 1 1 d . . . A 2
H02A H 0.546681 0.307191 0.034952 0.041 Uiso 1 1 calc R U . A 2
C02B C 0.8685(2) 0.46523(15) 0.38198(19) 0.0403(12) Uani 1 1 d . . . A 2
H02B H 0.909405 0.477880 0.389573 0.048 Uiso 1 1 calc R U . A 2
C02C C 0.2745(2) 0.33727(14) 0.2048(2) 0.0394(11) Uani 1 1 d . . . A 2
C02D C 0.8482(2) 0.48288(14) 0.47243(19) 0.0356(11) Uani 1 1 d . . . A 2
C02E C 0.8545(2) 0.44196(15) 0.33931(19) 0.0367(11) Uani 1 1 d . . . A 2
H02E H 0.886357 0.437962 0.318871 0.044 Uiso 1 1 calc R U . A 2
C02F C 0.8406(2) 0.37369(15) 0.28597(19) 0.0381(12) Uani 1 1 d . . . A 2
H02F H 0.875292 0.387165 0.277937 0.046 Uiso 1 1 calc R U . A 2
C02G C 0.1302(2) 0.56452(14) -0.1589(2) 0.0359(11) Uani 1 1 d . . . A 2
H02G H 0.093768 0.573917 -0.147260 0.043 Uiso 1 1 calc R U . A 2
C02H C 0.3377(3) 0.64070(13) 0.1497(2) 0.0384(11) Uani 1 1 d . . . A 2
H02H H 0.319878 0.638791 0.180632 0.046 Uiso 1 1 calc R U . A 2
C02I C 0.2946(3) 0.64515(13) 0.0983(2) 0.0370(11) Uani 1 1 d . . . A 2
H02I H 0.247574 0.645874 0.094044 0.044 Uiso 1 1 calc R U . A 2
C02J C 0.8436(3) 0.33853(16) 0.2845(2) 0.0421(12) Uani 1 1 d . . . A 2
H02J H 0.879869 0.327871 0.274145 0.050 Uiso 1 1 calc R U . A 2
C02K C 0.8801(3) 0.19852(13) 0.4327(2) 0.0397(12) Uani 1 1 d . . . A 2
C02L C 0.1885(2) 0.42706(14) -0.14969(19) 0.0330(10) Uani 1 1 d . . . A 2
H02L H 0.174943 0.414692 -0.121918 0.040 Uiso 1 1 calc R U . A 2
C02M C 0.8047(3) 0.49039(14) 0.5058(2) 0.0390(11) Uani 1 1 d . . . A 2
H02M H 0.758126 0.493677 0.489483 0.047 Uiso 1 1 calc R U . A 2
C02N C 0.8781(3) 0.18160(13) 0.5245(2) 0.0413(12) Uani 1 1 d . . . A 2
H02N H 0.853545 0.179053 0.551219 0.050 Uiso 1 1 calc R U . A 2
C02O C 0.9777(3) 0.17288(13) 0.4954(2) 0.0420(12) Uani 1 1 d . . . A 2
H02O H 1.021939 0.163855 0.502190 0.050 Uiso 1 1 calc R U . A 2
C02P C 0.9462(3) 0.18531(14) 0.4441(2) 0.0425(12) Uani 1 1 d . . . A 2
H02P H 0.969024 0.185037 0.415969 0.051 Uiso 1 1 calc R U . A 2
C02Q C 0.8466(3) 0.19363(14) 0.4722(2) 0.0411(12) Uani 1 1 d . . . A 2
H02Q H 0.799917 0.198668 0.463525 0.049 Uiso 1 1 calc R U . A 2
C02R C 0.4657(3) 0.57461(13) 0.2713(2) 0.0372(11) Uani 1 1 d . . . A 2
H02R H 0.445483 0.558145 0.289820 0.045 Uiso 1 1 calc R U . A 2
C02S C 1.0469(3) 0.19031(15) 0.6104(2) 0.0434(12) Uani 1 1 d . . . A 2
H02S H 1.072963 0.191365 0.584528 0.052 Uiso 1 1 calc R U . A 2
C02T C 0.9403(3) 0.48470(17) 0.5542(2) 0.0447(13) Uani 1 1 d . . . A 2
H02T H 0.987391 0.483934 0.570345 0.054 Uiso 1 1 calc R U . A 2
C02U C 0.4251(3) 0.59606(14) 0.2333(2) 0.0393(11) Uani 1 1 d . . . A 2
H02U H 0.377805 0.593279 0.224791 0.047 Uiso 1 1 calc R U . A 2
C02V C 0.8302(3) 0.49295(14) 0.5625(2) 0.0389(11) Uani 1 1 d . . . A 2
H02V H 0.800253 0.497933 0.584305 0.047 Uiso 1 1 calc R U . A 2
C02W C 1.0711(3) 0.20478(16) 0.6619(2) 0.0457(13) Uani 1 1 d . . . A 2
H02W H 1.113435 0.216140 0.670672 0.055 Uiso 1 1 calc R U . A 2
C02X C 0.9167(3) 0.48200(16) 0.4977(2) 0.0423(13) Uani 1 1 d . . . A 2
H02X H 0.947568 0.479511 0.476010 0.051 Uiso 1 1 calc R U . A 2
C02Y C 1.0406(3) 0.3354(2) 0.7941(2) 0.0529(16) Uani 1 1 d . . . A 2
C02Z C 1.0063(3) 0.40604(18) 0.7694(2) 0.0480(15) Uani 1 1 d . . . A 2
C030 C 0.8106(3) 0.28159(16) 0.3186(2) 0.0423(12) Uani 1 1 d . . . A 2
C031 C 0.8532(3) 0.22180(14) 0.3857(2) 0.0423(12) Uani 1 1 d . . . A 2
C032 C 0.8836(3) 0.46421(17) 0.6753(2) 0.0452(13) Uani 1 1 d . . . A 2
H032 H 0.836326 0.467102 0.663139 0.054 Uiso 1 1 calc R U . A 2
C033 C 1.0350(3) 0.20308(18) 0.7011(2) 0.0508(15) Uani 1 1 d . . . A 2
C034 C 0.2414(3) 0.46142(16) 0.3141(3) 0.0464(13) Uani 1 1 d . . . A 2
H03A H 0.241193 0.436261 0.309355 0.070 Uiso 1 1 calc R U . A 2
H03B H 0.195181 0.470125 0.302792 0.070 Uiso 1 1 calc R U . A 2
H03C H 0.261309 0.467154 0.352826 0.070 Uiso 1 1 calc R U . A 2
C035 C 0.9245(3) 0.48068(16) 0.6473(2) 0.0418(12) Uani 1 1 d . . . A 2
C036 C 1.0813(3) 0.3571(2) 0.7728(2) 0.0557(17) Uani 1 1 d . . . A 2
H036 H 1.121491 0.348127 0.766597 0.067 Uiso 1 1 calc R U . A 2
C037 C 0.8975(3) 0.48851(15) 0.5881(2) 0.0408(12) Uani 1 1 d . . . A 2
C038 C 0.9107(3) 0.44370(17) 0.7206(2) 0.0445(13) Uani 1 1 d . . . A 2
H038 H 0.881687 0.433198 0.739470 0.053 Uiso 1 1 calc R U . A 2
C039 C 0.9797(3) 0.43805(18) 0.7393(2) 0.0469(14) Uani 1 1 d . . . A 2
C03A C 0.2813(3) 0.51718(16) 0.2853(3) 0.0477(13) Uani 1 1 d . . . A 2
H03D H 0.305014 0.523391 0.323142 0.072 Uiso 1 1 calc R U . A 2
H03E H 0.234560 0.525014 0.277523 0.072 Uiso 1 1 calc R U . A 2
H03F H 0.303185 0.528308 0.259793 0.072 Uiso 1 1 calc R U . A 2
C03B C 1.0202(3) 0.4607(2) 0.7183(2) 0.0538(16) Uani 1 1 d . . . A 2
H03G H 1.067103 0.461693 0.735196 0.065 Uiso 1 1 calc R U . A 2
C03D C 1.0480(3) 0.2972(2) 0.7896(2) 0.0589(17) Uani 1 1 d . . . A 2
C03E C 0.9704(3) 0.3848(2) 0.7967(2) 0.0547(17) Uani 1 1 d . . . A 2
H03H H 0.933115 0.394436 0.807022 0.066 Uiso 1 1 calc R U . A 2
C03F C 1.0647(3) 0.3915(2) 0.7604(2) 0.0533(16) Uani 1 1 d . . . A 2
H03I H 1.093341 0.405441 0.745414 0.064 Uiso 1 1 calc R U . A 2
C03G C 0.9929(3) 0.48138(19) 0.6740(2) 0.0524(16) Uani 1 1 d . . . A 2
H03J H 1.021334 0.496635 0.660975 0.063 Uiso 1 1 calc R U . A 2
C03H C 0.9537(3) 0.16715(18) 0.6384(3) 0.0557(16) Uani 1 1 d . . . A 2
H03K H 0.915011 0.152817 0.631681 0.067 Uiso 1 1 calc R U . A 2
C03I C 1.0453(3) 0.2314(2) 0.7424(2) 0.0572(17) Uani 1 1 d . . . A 2
C03J C 0.2519(3) 0.46785(19) 0.2187(3) 0.0537(15) Uani 1 1 d . . . A 2
H03L H 0.277778 0.478280 0.195337 0.081 Uiso 1 1 calc R U . A 2
H03M H 0.205387 0.475988 0.206945 0.081 Uiso 1 1 calc R U . A 2
H03N H 0.252851 0.442607 0.215407 0.081 Uiso 1 1 calc R U . A 2
C03K C 0.7653(3) 0.25974(15) 0.3347(3) 0.0505(14) Uani 1 1 d . . . A 2
H03O H 0.718798 0.265112 0.322974 0.061 Uiso 1 1 calc R U . A 2
C03L C 0.8975(3) 0.24189(19) 0.3658(3) 0.0561(17) Uani 1 1 d . . . A 2
H03P H 0.943461 0.235459 0.374567 0.067 Uiso 1 1 calc R U . A 2
C03M C 0.9866(3) 0.3507(2) 0.8093(2) 0.0541(16) Uani 1 1 d . . . A 2
H03Q H 0.961113 0.337486 0.828326 0.065 Uiso 1 1 calc R U . A 2
C03N C 0.7851(3) 0.23057(15) 0.3670(3) 0.0490(14) Uani 1 1 d . . . A 2
H03R H 0.752250 0.216449 0.376519 0.059 Uiso 1 1 calc R U . A 2
C03O C 1.1059(3) 0.2819(2) 0.7839(3) 0.0580(17) Uani 1 1 d . . . A 2
H03S H 1.147280 0.293980 0.796071 0.070 Uiso 1 1 calc R U . A 2
C03P C 0.9898(3) 0.2760(2) 0.7770(3) 0.065(2) Uani 1 1 d . . . A 2
H03T H 0.949882 0.284714 0.784132 0.078 Uiso 1 1 calc R U . A 2
C03R C 0.9799(3) 0.1810(2) 0.6901(3) 0.0595(17) Uani 1 1 d . . . A 2
H03U H 0.959843 0.175379 0.718817 0.071 Uiso 1 1 calc R U . A 2
C03S C 1.1057(3) 0.2502(2) 0.7613(3) 0.0623(19) Uani 1 1 d . . . A 2
H03V H 1.146648 0.240386 0.758168 0.075 Uiso 1 1 calc R U . A 2
C03T C 0.8769(3) 0.27100(19) 0.3335(3) 0.0596(17) Uani 1 1 d . . . A 2
H03W H 0.909274 0.284004 0.321359 0.072 Uiso 1 1 calc R U . A 2
C03V C 0.9887(3) 0.2445(2) 0.7556(3) 0.0583(17) Uani 1 1 d . . . A 2
H03X H 0.949080 0.230915 0.749202 0.070 Uiso 1 1 calc R U . A 2
C03Y C 0.6328(4) 0.09494(18) 0.1244(3) 0.0609(18) Uani 1 1 d . . . B 3
C03Z C 0.8037(4) 0.12370(17) 0.1867(3) 0.0545(15) Uani 1 1 d . . . B 3
C040 C 0.6859(4) 0.10439(17) 0.1657(4) 0.0646(19) Uani 1 1 d . . . B 3
C041 C 0.5532(3) 0.20750(18) 0.1238(3) 0.0566(16) Uani 1 1 d . . . B 3
C044 C 0.7696(4) 0.26498(18) 0.0807(3) 0.0589(16) Uani 1 1 d . . . B 3
C047 C 0.6529(3) 0.26304(15) 0.0353(3) 0.0502(14) Uani 1 1 d . . . B 3
C04A C 0.7917(4) 0.14896(18) 0.2235(3) 0.0576(16) Uani 1 1 d . . . B 3
C04B C 0.2322(3) 0.3460(2) 0.2435(3) 0.073(2) Uani 1 1 d . . . A 2
H04A H 0.248537 0.333007 0.277795 0.110 Uiso 1 1 calc R U . A 2
H04B H 0.185316 0.339827 0.226404 0.110 Uiso 1 1 calc R U . A 2
H04C H 0.235341 0.370860 0.251465 0.110 Uiso 1 1 calc R U . A 2
C04D C 0.8308(4) 0.1797(2) 0.2206(3) 0.0652(19) Uani 1 1 d . . . B 3
C04G C 0.6095(3) 0.22625(17) -0.0428(2) 0.0529(15) Uani 1 1 d . . . B 3
C04H C 0.7314(4) 0.27185(19) 0.1211(3) 0.0600(16) Uani 1 1 d . . . B 3
C04I C 0.2781(4) 0.2987(2) 0.1974(4) 0.080(2) Uani 1 1 d . . . A 2
H04D H 0.309919 0.293575 0.175730 0.120 Uiso 1 1 calc R U . A 2
H04E H 0.233551 0.289980 0.178102 0.120 Uiso 1 1 calc R U . A 2
H04F H 0.293078 0.287605 0.233417 0.120 Uiso 1 1 calc R U . A 2
C04J C 0.5627(3) 0.23460(16) 0.0873(3) 0.0534(15) Uani 1 1 d . . . B 3
C04K C 0.6134(4) 0.15152(19) 0.1849(3) 0.0601(17) Uani 1 1 d . . . B 3
C04L C 0.5098(4) 0.1709(2) 0.0456(4) 0.0659(18) Uani 1 1 d . . . B 3
C04N C 0.7541(4) 0.10061(17) 0.1598(3) 0.0561(16) Uani 1 1 d . . . B 3
C04O C 0.8528(3) 0.2340(2) 0.1490(3) 0.066(2) Uani 1 1 d . . . B 3
C04Q C 0.2402(3) 0.3531(3) 0.1477(3) 0.075(2) Uani 1 1 d . . . A 2
H04G H 0.237864 0.378295 0.151017 0.113 Uiso 1 1 calc R U . A 2
H04H H 0.194755 0.343691 0.134343 0.113 Uiso 1 1 calc R U . A 2
H04I H 0.266416 0.347292 0.121721 0.113 Uiso 1 1 calc R U . A 2
C04R C 0.5279(4) 0.1825(2) -0.0392(3) 0.0630(18) Uani 1 1 d . . . B 3
C04T C 0.7211(4) 0.25994(17) 0.0279(3) 0.0565(15) Uani 1 1 d . . . B 3
C04U C 0.5998(3) 0.24402(16) 0.0038(2) 0.0504(14) Uani 1 1 d . . . B 3
C04V C 0.6764(4) 0.22369(19) -0.0503(3) 0.0594(17) Uani 1 1 d . . . B 3
C04Y C 0.8680(4) 0.1727(2) 0.1809(3) 0.0638(18) Uani 1 1 d . . . B 3
C051 C 0.6806(4) 0.19035(18) -0.0769(2) 0.0585(17) Uani 1 1 d . . . B 3
C052 C 0.6605(4) 0.26999(19) 0.0918(3) 0.0612(17) Uani 1 1 d . . . B 3
C053 C 0.7597(4) 0.08627(17) 0.1095(3) 0.0568(16) Uani 1 1 d . . . B 3
C055 C 0.5516(3) 0.22882(16) 0.0301(3) 0.0517(14) Uani 1 1 d . . . B 3
C056 C 0.8784(4) 0.1981(2) 0.1460(3) 0.0667(18) Uani 1 1 d . . . B 3
C058 C 0.6003(4) 0.2131(2) 0.1758(3) 0.0619(17) Uani 1 1 d . . . B 3
C059 C 0.5645(4) 0.1444(2) 0.1364(3) 0.0649(18) Uani 1 1 d . . . B 3
C05A C 0.7278(4) 0.15268(19) 0.2297(3) 0.0633(17) Uani 1 1 d . . . B 3
C05B C 0.5735(4) 0.19621(19) -0.0649(3) 0.0633(18) Uani 1 1 d . . . B 3
C05C C 0.6745(4) 0.1314(2) 0.2003(3) 0.0610(17) Uani 1 1 d . . . B 3
C05D C 0.5315(3) 0.1755(2) 0.1031(3) 0.0600(16) Uani 1 1 d . . . B 3
C05E C 0.8134(4) 0.2388(2) 0.1883(3) 0.0673(19) Uani 1 1 d . . . B 3
C05H C 0.6150(4) 0.25669(19) 0.1182(3) 0.0607(16) Uani 1 1 d . . . B 3
C05I C 0.5128(3) 0.13871(18) 0.0206(3) 0.0636(18) Uani 1 1 d . . . B 3
C05J C 0.8279(4) 0.2464(2) 0.0956(4) 0.0673(19) Uani 1 1 d . . . B 3
C05K C 0.7068(4) 0.2447(2) 0.2005(3) 0.0627(17) Uani 1 1 d . . . B 3
C05L C 0.6736(4) 0.1194(2) -0.0658(3) 0.0670(19) Uani 1 1 d . . . B 3
C05M C 0.7538(4) 0.2605(2) 0.1734(3) 0.0647(18) Uani 1 1 d . . . B 3
C05N C 0.5231(4) 0.1454(2) -0.0325(3) 0.0651(19) Uani 1 1 d . . . B 3
C05O C 0.6389(4) 0.07857(18) 0.0751(3) 0.0665(18) Uani 1 1 d . . . B 3
C05P C 0.7335(4) 0.23759(18) -0.0116(3) 0.0564(15) Uani 1 1 d . . . B 3
C05Q C 0.6388(4) 0.24406(18) 0.1728(3) 0.0580(16) Uani 1 1 d . . . B 3
C05T C 0.8043(4) 0.2116(2) 0.2246(3) 0.0671(18) Uani 1 1 d . . . B 3
C05W C 0.5189(3) 0.1979(2) 0.0092(3) 0.0658(19) Uani 1 1 d . . . B 3
C05X C 0.7783(4) 0.09733(17) 0.0224(3) 0.0612(18) Uani 1 1 d . . . B 3
C05Y C 0.8508(4) 0.1373(2) 0.1605(3) 0.0595(16) Uani 1 1 d . . . B 3
C060 C 0.6638(4) 0.09119(18) -0.0281(3) 0.0623(17) Uani 1 1 d . . . B 3
C061 C 0.5417(4) 0.1111(2) 0.0495(3) 0.0676(19) Uani 1 1 d . . . B 3
C062 C 0.8089(4) 0.10060(19) 0.0823(3) 0.0646(18) Uani 1 1 d . . . B 3
C063 C 0.5704(4) 0.1142(2) 0.1095(3) 0.0635(17) Uani 1 1 d . . . B 3
C064 C 0.7144(4) 0.08142(18) 0.0145(3) 0.0655(19) Uani 1 1 d . . . B 3
C065 C 0.8588(4) 0.1570(2) 0.0675(3) 0.0686(19) Uani 1 1 d . . . B 3
C066 C 0.8289(4) 0.1533(2) 0.0112(3) 0.0701(19) Uani 1 1 d . . . B 3
C067 C 0.6158(4) 0.1738(2) -0.0866(3) 0.069(2) Uani 1 1 d . . . B 3
C068 C 0.5650(4) 0.1239(2) -0.0527(3) 0.0668(19) Uani 1 1 d . . . B 3
C2CA C 0.8262(7) 0.7441(4) 0.4189(6) 0.086(3) Uani 0.692(7) 1 d D U P C 1
C06C C 0.8492(4) 0.1286(2) 0.1053(3) 0.0668(19) Uani 1 1 d . . . B 3
C06D C 0.7895(4) 0.1230(2) -0.0120(3) 0.0640(18) Uani 1 1 d . . . B 3
C06E C 0.7013(4) 0.1870(2) 0.2352(3) 0.0652(19) Uani 1 1 d . . . B 3
C06G C 0.6126(4) 0.1391(2) -0.0810(3) 0.071(2) Uani 1 1 d . . . B 3
C06H C 0.6300(4) 0.1849(2) 0.2062(3) 0.069(2) Uani 1 1 d . . . B 3
C06I C 0.5849(4) 0.08820(17) 0.0290(3) 0.0575(16) Uani 1 1 d . . . B 3
C06J C 0.7358(4) 0.1339(2) -0.0567(3) 0.068(2) Uani 1 1 d . . . B 3
C06K C 0.7382(4) 0.2159(2) 0.2324(3) 0.0648(18) Uani 1 1 d . . . B 3
C06L C 0.7038(4) 0.07455(17) 0.0681(4) 0.0675(19) Uani 1 1 d . . . B 3
C06M C 0.8719(4) 0.1912(2) 0.0897(3) 0.0690(19) Uani 1 1 d . . . B 3
C06O C 0.7400(5) 0.1718(2) -0.0626(3) 0.073(2) Uani 1 1 d . . . B 3
C06V C 0.6874(10) 0.6047(5) 0.3865(8) 0.104(4) Uani 0.692(7) 1 d . U P C 1
C06X C 0.7958(4) 0.1839(2) -0.0217(3) 0.071(2) Uani 1 1 d . . . B 3
C06Y C 0.8399(4) 0.2209(2) 0.0577(3) 0.0670(18) Uani 1 1 d . . . B 3
C06Z C 0.5973(5) 0.0954(2) -0.0224(4) 0.075(2) Uani 1 1 d . . . B 3
C073 C 0.7785(14) 0.5850(7) 0.5554(10) 0.127(4) Uani 0.692(7) 1 d . U P C 1
C3MA C 0.9070(7) 0.7073(3) 0.3899(5) 0.095(3) Uani 0.692(7) 1 d D U P C 1
C076 C 0.7949(4) 0.2169(2) 0.0036(3) 0.073(2) Uani 1 1 d . . . B 3
C0CA C 0.7946(8) 0.6998(3) 0.3414(8) 0.107(4) Uani 0.692(7) 1 d D U P C 1
C8LA C 0.9067(11) 0.5996(5) 0.5952(9) 0.130(5) Uani 0.692(7) 1 d D U P C 1
C8BA C 0.8204(9) 0.6253(4) 0.6264(10) 0.132(4) Uani 0.692(7) 1 d D U P C 1
C1AA C 0.8373(10) 0.5964(5) 0.5967(10) 0.131(4) Uani 0.692(7) 1 d D U P C 1
C6JA C 0.9330(10) 0.6310(5) 0.6251(8) 0.138(5) Uani 0.692(7) 1 d D U P C 1
C8FA C 0.6840(11) 0.6025(4) 0.4769(7) 0.118(4) Uani 0.692(7) 1 d D U P C 1
C07G C 0.7097(12) 0.5845(5) 0.4358(9) 0.117(4) Uani 0.692(7) 1 d . U P C 1
C2EA C 0.8747(10) 0.5699(6) 0.5054(7) 0.123(4) Uani 0.692(7) 1 d D U P C 1
C4DA C 0.8044(7) 0.5737(5) 0.4141(6) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C9CA C 0.8044(10) 0.5702(7) 0.5080(7) 0.127(4) Uani 0.692(7) 1 d D U P C 1
C2BA C 0.7102(9) 0.7168(4) 0.3775(7) 0.109(4) Uani 0.692(7) 1 d D U P C 1
C0EA C 0.8432(7) 0.7235(3) 0.3784(5) 0.091(3) Uani 0.692(7) 1 d D U P C 1
C5EA C 0.7274(7) 0.6069(5) 0.3531(8) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C8CA C 0.7615(9) 0.5708(7) 0.4521(7) 0.126(4) Uani 0.692(7) 1 d D U P C 1
C3JA C 0.9000(7) 0.6746(3) 0.3618(5) 0.098(3) Uani 0.692(7) 1 d D U P C 1
C0BA C 0.7152(12) 0.6044(5) 0.5351(8) 0.129(4) Uani 0.692(7) 1 d D U P C 1
C7CA C 0.8745(6) 0.7509(3) 0.4676(5) 0.096(3) Uani 0.692(7) 1 d D U P C 1
C4GA C 0.8753(8) 0.5729(5) 0.4475(6) 0.122(4) Uani 0.692(7) 1 d D U P C 1
C9JA C 0.9384(6) 0.7354(3) 0.4795(4) 0.110(4) Uani 0.692(7) 1 d D U P C 1
C6AA C 0.9329(13) 0.5878(5) 0.5483(8) 0.128(5) Uani 0.692(7) 1 d D U P C 1
C3BA C 0.6485(9) 0.6320(3) 0.3955(6) 0.099(3) Uani 0.692(7) 1 d D U P C 1
C2AA C 0.8567(7) 0.7567(4) 0.5158(5) 0.117(4) Uani 0.692(7) 1 d D U P C 1
C1FA C 0.8369(7) 0.6095(3) 0.3500(6) 0.120(4) Uani 0.692(7) 1 d D U P C 1
C7DA C 0.7924(7) 0.7534(4) 0.5162(5) 0.114(3) Uani 0.692(7) 1 d D U P C 1
C8DA C 0.9015(7) 0.6118(4) 0.3814(7) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C8EA C 0.7897(6) 0.5898(4) 0.3679(7) 0.120(4) Uani 0.692(7) 1 d D U P C 1
C1DA C 0.7403(8) 0.7474(4) 0.4696(6) 0.107(3) Uani 0.692(7) 1 d D U P C 1
C5BA C 0.8241(8) 0.7299(4) 0.6050(7) 0.135(4) Uani 0.692(7) 1 d D U P C 1
C7AA C 0.6648(10) 0.6956(3) 0.3981(7) 0.120(4) Uani 0.692(7) 1 d D U P C 1
C4BA C 0.6553(8) 0.6640(4) 0.3672(5) 0.112(4) Uani 0.692(7) 1 d D U P C 1
C6DA C 0.7765(7) 0.7378(5) 0.5623(6) 0.132(4) Uani 0.692(7) 1 d D U P C 1
C0DA C 0.7576(9) 0.6426(4) 0.6108(8) 0.136(4) Uani 0.692(7) 1 d D U P C 1
C1GA C 0.7560(9) 0.6800(4) 0.6142(8) 0.134(4) Uani 0.692(7) 1 d D U P C 1
C08I C 0.7598(10) 0.7446(4) 0.4232(7) 0.099(3) Uani 0.692(7) 1 d . U P C 1
C5DA C 0.7027(11) 0.6323(4) 0.5652(6) 0.135(4) Uani 0.692(7) 1 d D U P C 1
C8AA C 0.9198(8) 0.5906(6) 0.4325(8) 0.131(4) Uani 0.692(7) 1 d D U P C 1
C7FA C 0.6466(9) 0.6317(3) 0.4487(5) 0.112(4) Uani 0.692(7) 1 d D U P C 1
C3DA C 0.6919(9) 0.7253(4) 0.4837(5) 0.113(3) Uani 0.692(7) 1 d D U P C 1
C0AA C 0.7014(7) 0.6635(4) 0.3332(7) 0.114(4) Uani 0.692(7) 1 d D U P C 1
C4EA C 0.7348(6) 0.6366(3) 0.3248(7) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C6EA C 0.8930(6) 0.7318(3) 0.6037(5) 0.134(4) Uani 0.692(7) 1 d D U P C 1
C5AA C 0.9356(7) 0.6445(4) 0.3871(7) 0.112(4) Uani 0.692(7) 1 d D U P C 1
C2GA C 0.8152(8) 0.6986(3) 0.6326(9) 0.134(4) Uani 0.692(7) 1 d D U P C 1
C8JA C 0.9518(6) 0.7097(3) 0.4453(5) 0.110(4) Uani 0.692(7) 1 d D U P C 1
C6CA C 0.8326(6) 0.6705(3) 0.3302(6) 0.104(3) Uani 0.692(7) 1 d D U P C 1
C9EA C 0.6710(8) 0.6635(3) 0.5373(5) 0.125(4) Uani 0.692(7) 1 d D U P C 1
C6BA C 0.6576(11) 0.6966(3) 0.4514(5) 0.120(4) Uani 0.692(7) 1 d D U P C 1
C0GA C 0.7021(11) 0.6924(4) 0.5686(5) 0.136(4) Uani 0.692(7) 1 d D U P C 1
C6FA C 0.6496(8) 0.6647(3) 0.4794(5) 0.116(3) Uani 0.692(7) 1 d D U P C 1
C0KA C 0.9583(7) 0.7309(3) 0.5385(4) 0.128(4) Uani 0.692(7) 1 d D U P C 1
C0MA C 0.9915(8) 0.7032(3) 0.5618(5) 0.142(5) Uani 0.692(7) 1 d D U P C 1
C9DA C 0.9075(6) 0.7450(3) 0.5598(5) 0.125(4) Uani 0.692(7) 1 d D U P C 1
C1CA C 0.7332(7) 0.6973(3) 0.3387(7) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C2DA C 0.7106(9) 0.7228(4) 0.5421(5) 0.127(4) Uani 0.692(7) 1 d D U P C 1
C3EA C 0.8024(5) 0.6392(3) 0.3224(6) 0.117(4) Uani 0.692(7) 1 d D U P C 1
C5JA C 0.9768(15) 0.6115(5) 0.4685(9) 0.158(5) Uani 0.692(7) 1 d D U P C 1
C3GA C 0.8792(7) 0.6811(4) 0.6475(7) 0.138(4) Uani 0.692(7) 1 d D U P C 1
C0HA C 0.9268(8) 0.7017(4) 0.6291(6) 0.142(4) Uani 0.692(7) 1 d D U P C 1
C9BA C 0.8811(7) 0.6450(4) 0.6485(7) 0.141(4) Uani 0.692(7) 1 d D U P C 1
C5LA C 0.9794(10) 0.6890(3) 0.6118(5) 0.142(5) Uani 0.692(7) 1 d D U P C 1
C4HA C 0.3529(5) 0.25952(19) -0.1650(3) 0.070(2) Uani 1 1 d . . . D 6
H4HA H 0.353837 0.233964 -0.162371 0.084 Uiso 1 1 calc R U . D 6
H4HB H 0.368540 0.268893 -0.127306 0.084 Uiso 1 1 calc R U . D 6
C2HA C 0.4753(4) 0.26245(19) -0.1746(3) 0.0665(18) Uani 1 1 d . . . D 6
H2HA H 0.479521 0.237171 -0.168359 0.080 Uiso 1 1 calc R U . D 6
H2HB H 0.491430 0.274123 -0.138634 0.080 Uiso 1 1 calc R U . D 6
C3HA C 0.4031(4) 0.2715(2) -0.1993(3) 0.068(2) Uani 1 1 d . . . D 6
H3HA H 0.388641 0.260899 -0.236294 0.082 Uiso 1 1 calc R U . D 6
H3HB H 0.399537 0.296863 -0.204053 0.082 Uiso 1 1 calc R U . D 6
C12 C 0.2872(4) 0.2701(3) -0.1876(4) 0.085(3) Uani 1 1 d . . . D 6
H12A H 0.271230 0.260933 -0.225006 0.128 Uiso 1 1 calc R U . D 6
H12B H 0.285406 0.295440 -0.188733 0.128 Uiso 1 1 calc R U . D 6
H12C H 0.258715 0.261447 -0.165075 0.128 Uiso 1 1 calc R U . D 6
C9FA C 0.5186(3) 0.27334(14) -0.2119(3) 0.0472(13) Uani 1 1 d . . . D 6
H9FA H 0.512447 0.298323 -0.220333 0.057 Uiso 1 1 calc R U . D 6
H9FB H 0.505281 0.260311 -0.246869 0.057 Uiso 1 1 calc R U . D 6
C5GA C 0.5927(4) 0.2658(2) -0.1824(4) 0.075(2) Uani 1 1 d . . . D 6
H5GA H 0.620506 0.269898 -0.207746 0.112 Uiso 1 1 calc R U . D 6
H5GB H 0.597309 0.241709 -0.170083 0.112 Uiso 1 1 calc R U . D 6
H5GC H 0.607240 0.281185 -0.150506 0.112 Uiso 1 1 calc R U . D 6
C3CA C 0.9868(10) 0.6776(4) 0.4714(5) 0.167(6) Uani 0.692(7) 1 d D U P C 1
C9AA C 1.0061(10) 0.6425(4) 0.5595(6) 0.179(6) Uani 0.692(7) 1 d D U P C 1
C8MA C 0.9776(13) 0.6121(4) 0.5268(8) 0.169(5) Uani 0.692(7) 1 d D U P C 1
C9GA C 0.6912(6) 0.5164(2) 0.0440(4) 0.049(3) Uani 0.5 1 d D U P E 5
C8HA C 0.6663(5) 0.5503(2) 0.0377(3) 0.056(3) Uani 0.5 1 d D U P E 5
C3KA C 0.6704(6) 0.5121(2) -0.0562(4) 0.060(3) Uani 0.5 1 d D U P E 5
C5CA C 0.6935(5) 0.4971(2) -0.0051(4) 0.059(2) Uani 0.5 1 d D U P E 5
C2KA C 0.6443(5) 0.5657(2) -0.0142(3) 0.064(3) Uani 0.5 1 d D U P E 5
C2IA C 0.6460(5) 0.5471(3) -0.0615(4) 0.064(3) Uani 0.5 1 d D U P E 5
C7IA C 0.6371(6) 0.4430(3) -0.0376(3) 0.068(3) Uani 0.5 1 d D U P E 5
C8IA C 0.6763(6) 0.4632(2) 0.0050(3) 0.069(3) Uani 0.5 1 d D U P E 5
C6LA C 0.6126(5) 0.4574(3) -0.0914(4) 0.067(3) Uani 0.5 1 d D U P E 5
C4JA C 0.6292(6) 0.4915(3) -0.1006(4) 0.070(3) Uani 0.5 1 d D U P E 5
C5FA C 0.6362(5) 0.5044(2) 0.1175(4) 0.048(3) Uani 0.5 1 d D U P E 5
C3IA C 0.6263(5) 0.5620(3) 0.0723(4) 0.052(3) Uani 0.5 1 d D U P E 5
C1KA C 0.5865(4) 0.5867(3) -0.0138(4) 0.056(3) Uani 0.5 1 d D U P E 5
C4FA C 0.6750(5) 0.4937(2) 0.0833(4) 0.050(2) Uani 0.5 1 d D U P E 5
C0IA C 0.6119(5) 0.5406(2) 0.1130(4) 0.048(2) Uani 0.5 1 d D U P E 5
C1BA C 0.5759(5) 0.5846(3) 0.0391(4) 0.057(3) Uani 0.5 1 d D U P E 5
C6KA C 0.5422(5) 0.4877(3) 0.1565(5) 0.056(3) Uani 0.5 1 d D U P E 5
C5NA C 0.6009(5) 0.4791(2) 0.1394(4) 0.049(2) Uani 0.5 1 d D U P E 5
C0NA C 0.5528(5) 0.5479(2) 0.1276(4) 0.052(3) Uani 0.5 1 d D U P E 5
C9HA C 0.5182(4) 0.5218(3) 0.1515(5) 0.058(3) Uani 0.5 1 d D U P E 5
C7KA C 0.5897(5) 0.4454(3) 0.1132(5) 0.055(3) Uani 0.5 1 d D U P E 5
C5IA C 0.6169(6) 0.4383(3) 0.0701(4) 0.051(3) Uani 0.5 1 d D U P E 5
C0JA C 0.6663(6) 0.4608(3) 0.0594(4) 0.061(3) Uani 0.5 1 d D U P E 5
C4LA C 0.5312(5) 0.5886(3) -0.0601(4) 0.059(3) Uani 0.5 1 d D U P E 5
C7GA C 0.5761(7) 0.4171(3) 0.0232(6) 0.069(3) Uani 0.5 1 d D U P E 5
C0FA C 0.5120(6) 0.5862(4) 0.0469(4) 0.057(3) Uani 0.5 1 d D U P E 5
C5MA C 0.5018(5) 0.5710(3) 0.0939(5) 0.054(3) Uani 0.5 1 d D U P E 5
C2NA C 0.5319(4) 0.5693(3) -0.1086(4) 0.062(3) Uani 0.5 1 d D U P E 5
C3FA C 0.5852(6) 0.4209(3) -0.0261(4) 0.077(3) Uani 0.5 1 d D U P E 5
C4IA C 0.5785(5) 0.5148(3) -0.1333(4) 0.066(3) Uani 0.5 1 d D U P E 5
C1LA C 0.4643(4) 0.5879(3) -0.0529(4) 0.054(3) Uani 0.5 1 d D U P E 5
C7HA C 0.4536(5) 0.5868(3) -0.0016(5) 0.055(3) Uani 0.5 1 d D U P E 5
C1IA C 0.5885(5) 0.5485(3) -0.1095(4) 0.060(3) Uani 0.5 1 d D U P E 5
C2LA C 0.4651(4) 0.5560(3) -0.1317(4) 0.051(3) Uani 0.5 1 d D U P E 5
C2FA C 0.5128(5) 0.5014(3) -0.1552(4) 0.061(3) Uani 0.5 1 d D U P E 5
C6IA C 0.4464(5) 0.5282(3) 0.1334(5) 0.071(3) Uani 0.5 1 d D U P E 5
C3LA C 0.4562(4) 0.5228(3) -0.1544(5) 0.050(3) Uani 0.5 1 d D U P E 5
C4MA C 0.4361(6) 0.5585(4) 0.0971(6) 0.064(3) Uani 0.5 1 d D U P E 5
C6GA C 0.4092(5) 0.4434(3) -0.1031(4) 0.061(3) Uani 0.5 1 d D U P E 5
C9IA C 0.4295(4) 0.4661(3) -0.1395(4) 0.060(3) Uani 0.5 1 d D U P E 5
C7JA C 0.5274(6) 0.4223(3) -0.0730(5) 0.076(3) Uani 0.5 1 d D U P E 5
C8KA C 0.4954(5) 0.4667(3) -0.1459(6) 0.062(3) Uani 0.5 1 d D U P E 5
C4CA C 0.4622(6) 0.4199(3) -0.0684(5) 0.070(3) Uani 0.5 1 d D U P E 5
C3OA C 0.3457(6) 0.4378(3) -0.0338(4) 0.067(3) Uani 0.5 1 d D U P E 5
C6HA C 0.3958(6) 0.4158(3) -0.0014(4) 0.078(3) Uani 0.5 1 d D U P E 5
C4KA C 0.5106(6) 0.4069(4) 0.0290(5) 0.072(3) Uani 0.5 1 d D U P E 5
C9KA C 0.4541(6) 0.4082(3) -0.0195(5) 0.077(3) Uani 0.5 1 d D U P E 5
C1JA C 0.5449(5) 0.4445(4) -0.1131(5) 0.068(3) Uani 0.5 1 d D U P E 5
C0LA C 0.4044(5) 0.5012(2) -0.1450(4) 0.050(2) Uani 0.5 1 d D U P E 5
C1MA C 0.3607(5) 0.5117(2) -0.1159(5) 0.043(2) Uani 0.5 1 d D U P E 5
C9MA C 0.3151(6) 0.5261(3) -0.0192(5) 0.061(3) Uani 0.5 1 d D U P E 5
C5OA C 0.3304(5) 0.4871(3) -0.0882(4) 0.053(3) Uani 0.5 1 d D U P E 5
C2OA C 0.3150(6) 0.4636(3) -0.0075(5) 0.076(3) Uani 0.5 1 d D U P E 5
C6NA C 0.3353(6) 0.5301(3) 0.0396(5) 0.062(2) Uani 0.5 1 d D U P E 5
C1EA C 0.3891(6) 0.5728(3) 0.0030(5) 0.054(3) Uani 0.5 1 d D U P E 5
C4NA C 0.3701(5) 0.5473(3) -0.0908(4) 0.039(2) Uani 0.5 1 d D U P E 5
C3NA C 0.3494(6) 0.5527(3) -0.0421(5) 0.054(3) Uani 0.5 1 d D U P E 5
C7LA C 0.3808(6) 0.5585(3) 0.0530(5) 0.059(3) Uani 0.5 1 d D U P E 5
C4OA C 0.3555(5) 0.4521(2) -0.0832(4) 0.061(3) Uani 0.5 1 d D U P E 5
C1NA C 0.4229(5) 0.5674(3) -0.0972(4) 0.046(2) Uani 0.5 1 d D U P E 5
C7BA C 0.3447(7) 0.5015(4) 0.0741(6) 0.071(3) Uani 0.5 1 d D U P E 5
C8GA C 0.3345(6) 0.4676(3) 0.0500(5) 0.071(3) Uani 0.5 1 d D U P E 5
C2JA C 0.3862(5) 0.4452(3) 0.0830(4) 0.078(3) Uani 0.5 1 d D U P E 5
C2MA C 0.4860(6) 0.4139(4) 0.0757(5) 0.070(3) Uani 0.5 1 d D U P E 5
C6MA C 0.4962(5) 0.4593(2) 0.1439(4) 0.069(3) Uani 0.5 1 d D U P E 5
C7MA C 0.4266(6) 0.4654(3) 0.1266(5) 0.071(3) Uani 0.5 1 d D U P E 5
C5KA C 0.4016(5) 0.5004(3) 0.1218(6) 0.077(3) Uani 0.5 1 d D U P E 5
C9LA C 0.5254(5) 0.4333(3) 0.1171(6) 0.064(3) Uani 0.5 1 d D U P E 5
C1HA C 0.4150(5) 0.4196(3) 0.0574(4) 0.081(3) Uani 0.5 1 d D U P E 5
C5HA C 0.9788(12) 0.6461(4) 0.4395(6) 0.164(5) Uani 0.692(7) 1 d D U P C 1
C3AA C 1.0086(10) 0.6755(3) 0.5296(6) 0.175(6) Uani 0.692(7) 1 d D U P C 1
C4AA C 0.9831(14) 0.6517(4) 0.6087(7) 0.189(7) Uani 0.692(7) 1 d D U P C 1
C0OA C 0.3050(8) 0.4938(3) -0.0419(6) 0.059(3) Uani 0.5 1 d D U P E 5
C1 C 0.9257(8) 0.6632(3) 0.6278(8) 0.078(5) Uani 0.308(7) 1 d D U P C -5
C6OA C 0.9924(10) 0.6246(4) 0.5848(7) 0.080(6) Uani 0.308(7) 1 d D U P C -5
C2 C 0.9455(13) 0.6296(3) 0.6184(12) 0.075(6) Uani 0.308(7) 1 d D U P C -5
C7OA C 0.9759(9) 0.6242(5) 0.4191(9) 0.076(5) Uani 0.308(7) 1 d D U P C -5
C9NA C 0.9761(9) 0.5932(5) 0.5513(7) 0.072(5) Uani 0.308(7) 1 d D U P C -5
C4PA C 1.0115(12) 0.6226(5) 0.4771(8) 0.074(5) Uani 0.308(7) 1 d D U P C -5
C0PA C 0.9819(9) 0.5927(5) 0.4988(8) 0.074(5) Uani 0.308(7) 1 d D U P C -5
C7QA C 0.9904(9) 0.6871(3) 0.5695(7) 0.095(6) Uani 0.308(7) 1 d D U P C -5
C2PA C 0.9341(8) 0.5773(7) 0.4574(7) 0.085(6) Uani 0.308(7) 1 d D U P C -5
C5PA C 0.9294(8) 0.5953(5) 0.4074(10) 0.088(6) Uani 0.308(7) 1 d D U P C -5
C3QA C 1.0253(10) 0.6521(4) 0.5077(7) 0.075(5) Uani 0.308(7) 1 d D U P C -5
C8NA C 1.0165(8) 0.6535(4) 0.5628(7) 0.095(6) Uani 0.308(7) 1 d D U P C -5
C3PA C 0.9560(8) 0.6562(4) 0.3943(10) 0.092(6) Uani 0.308(7) 1 d D U P C -5
C6PA C 0.8672(8) 0.5992(4) 0.3699(8) 0.100(7) Uani 0.308(7) 1 d D U P C -5
C9OA C 0.8937(7) 0.6601(3) 0.3556(8) 0.101(7) Uani 0.308(7) 1 d D U P C -5
C8OA C 0.8481(7) 0.6312(4) 0.3428(7) 0.106(7) Uani 0.308(7) 1 d D U P C -5
C3SA C 0.9716(7) 0.6866(5) 0.4233(7) 0.092(6) Uani 0.308(7) 1 d D U P C -5
C9QA C 1.0102(9) 0.6861(4) 0.4833(7) 0.087(6) Uani 0.308(7) 1 d D U P C -5
C3UA C 0.9139(8) 0.5829(6) 0.5604(7) 0.064(5) Uani 0.308(7) 1 d D U P C -5
C5TA C 0.8778(8) 0.5632(5) 0.4680(6) 0.086(6) Uani 0.308(7) 1 d D U P C -5
C1UA C 0.8687(7) 0.5668(5) 0.5208(7) 0.069(5) Uani 0.308(7) 1 d D U P C -5
C0QA C 0.7517(8) 0.6692(4) 0.3399(9) 0.105(7) Uani 0.308(7) 1 d D U P C -5
C8QA C 0.7998(5) 0.7004(4) 0.3526(7) 0.114(8) Uani 0.308(7) 1 d D U P C -5
C1RA C 0.8684(5) 0.6927(3) 0.3645(6) 0.102(7) Uani 0.308(7) 1 d D U P C -5
C8PA C 0.7787(7) 0.6361(4) 0.3373(9) 0.099(7) Uani 0.308(7) 1 d D U P C -5
C2QA C 0.9871(8) 0.7076(4) 0.5212(5) 0.093(6) Uani 0.308(7) 1 d D U P C -5
C3 C 0.9469(10) 0.6919(3) 0.6031(7) 0.097(6) Uani 0.308(7) 1 d D U P C -5
C5QA C 0.8948(9) 0.7206(5) 0.5871(7) 0.101(7) Uani 0.308(7) 1 d D U P C -5
C4RA C 0.8927(6) 0.7408(4) 0.5393(4) 0.102(7) Uani 0.308(7) 1 d D U P C -5
C2SA C 0.9161(6) 0.7085(3) 0.4060(5) 0.093(6) Uani 0.308(7) 1 d D U P C -5
C7SA C 0.9298(7) 0.7315(5) 0.5023(5) 0.106(7) Uani 0.308(7) 1 d D U P C -5
C6SA C 0.8976(7) 0.7348(4) 0.4410(6) 0.100(7) Uani 0.308(7) 1 d D U P C -5
C9RA C 0.7541(9) 0.6068(4) 0.3594(8) 0.096(7) Uani 0.308(7) 1 d D U P C -5
C0SA C 0.8093(6) 0.5844(5) 0.3806(8) 0.098(7) Uani 0.308(7) 1 d D U P C -5
C7EA C 0.8149(6) 0.5661(5) 0.4299(7) 0.082(6) Uani 0.308(7) 1 d D U P C -5
C9PA C 0.7032(10) 0.6118(4) 0.3895(8) 0.092(7) Uani 0.308(7) 1 d D U P C -5
C2RA C 0.6658(9) 0.6425(4) 0.3808(8) 0.089(6) Uani 0.308(7) 1 d D U P C -5
C6RA C 0.6862(9) 0.6713(4) 0.3516(11) 0.092(7) Uani 0.308(7) 1 d D U P C -5
C1OA C 0.7816(8) 0.7275(4) 0.3886(8) 0.109(7) Uani 0.308(7) 1 d D U P C -5
C5SA C 0.8255(9) 0.7423(5) 0.4272(6) 0.091(7) Uani 0.308(7) 1 d D U P C -5
C4SA C 0.7109(10) 0.5930(5) 0.4411(7) 0.088(7) Uani 0.308(7) 1 d D U P C -5
C1SA C 0.7660(8) 0.5701(5) 0.4600(6) 0.086(7) Uani 0.308(7) 1 d D U P C -5
C3TA C 0.6374(11) 0.6908(4) 0.4224(6) 0.071(5) Uani 0.308(7) 1 d D U P C -5
C4QA C 0.6783(10) 0.6053(5) 0.4804(5) 0.076(6) Uani 0.308(7) 1 d D U P C -5
C0TA C 0.6402(10) 0.6364(3) 0.4701(5) 0.089(6) Uani 0.308(7) 1 d D U P C -5
C2TA C 0.6338(10) 0.6549(4) 0.4213(5) 0.087(6) Uani 0.308(7) 1 d D U P C -5
C0RA C 0.7955(6) 0.7548(5) 0.4644(5) 0.104(7) Uani 0.308(7) 1 d D U P C -5
C5RA C 0.7157(13) 0.7301(4) 0.3958(10) 0.094(7) Uani 0.308(7) 1 d D U P C -5
C7NA C 0.6703(10) 0.7003(6) 0.3837(8) 0.091(7) Uani 0.308(7) 1 d D U P C -5
C7RA C 0.8276(5) 0.7541(4) 0.5207(5) 0.103(7) Uani 0.308(7) 1 d D U P C -5
C5UA C 0.7915(7) 0.7453(6) 0.5586(5) 0.104(7) Uani 0.308(7) 1 d D U P C -5
C9TA C 0.7225(9) 0.7371(5) 0.5396(5) 0.107(7) Uani 0.308(7) 1 d D U P C -5
C9SA C 0.6902(9) 0.7373(4) 0.4833(5) 0.104(7) Uani 0.308(7) 1 d D U P C -5
C8RA C 0.7275(8) 0.7461(6) 0.4450(6) 0.106(7) Uani 0.308(7) 1 d D U P C -5
C8SA C 0.6544(10) 0.6902(4) 0.5210(5) 0.098(6) Uani 0.308(7) 1 d D U P C -5
C6QA C 0.7113(9) 0.6040(5) 0.5366(6) 0.078(6) Uani 0.308(7) 1 d D U P C -5
C0UA C 0.7778(7) 0.5897(5) 0.5532(6) 0.054(5) Uani 0.308(7) 1 d D U P C -5
C1PA C 0.6469(9) 0.7088(4) 0.4719(6) 0.099(7) Uani 0.308(7) 1 d D U P C -5
C6TA C 0.7024(10) 0.7076(3) 0.5626(7) 0.108(7) Uani 0.308(7) 1 d D U P C -5
C3RA C 0.6511(10) 0.6545(4) 0.5201(5) 0.098(7) Uani 0.308(7) 1 d D U P C -5
C4UA C 0.7996(6) 0.5701(5) 0.5159(6) 0.070(6) Uani 0.308(7) 1 d D U P C -5
C4 C 0.8604(7) 0.6654(6) 0.6339(11) 0.091(6) Uani 0.308(7) 1 d D U P C -5
C7TA C 0.8305(11) 0.7216(8) 0.5960(11) 0.108(7) Uani 0.308(7) 1 d D U P C -5
C1TA C 0.8267(7) 0.6054(5) 0.5981(7) 0.052(5) Uani 0.308(7) 1 d D U P C -5
C2UA C 0.8931(9) 0.6015(7) 0.6022(9) 0.056(5) Uani 0.308(7) 1 d D U P C -5
C1QA C 0.8117(7) 0.6362(5) 0.6224(8) 0.069(5) Uani 0.308(7) 1 d D U P C -5
C4TA C 0.7488(9) 0.6890(4) 0.6031(8) 0.097(7) Uani 0.308(7) 1 d D U P C -5
C7PA C 0.7439(8) 0.6512(4) 0.6025(7) 0.084(6) Uani 0.308(7) 1 d D U P C -5
C8TA C 0.6962(9) 0.6349(4) 0.5615(7) 0.091(7) Uani 0.308(7) 1 d D U P C -5
C5 C 0.8210(10) 0.6979(5) 0.622(2) 0.110(8) Uani 0.308(7) 1 d D U P C -5
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C006 C004 C009 120.9(4) . . ?
C00B C005 C00H 119.3(4) . . ?
C00B C005 C009 116.8(4) . . ?
C00H C005 C009 122.0(4) . . ?
C004 C006 C00X 121.4(4) . . ?
C01K C007 C015 117.6(4) . . ?
C01K C007 C00Y 122.6(4) . . ?
C015 C007 C00Y 119.7(4) . . ?
C00T C008 C00O 121.1(4) . . ?
C00I C009 C004 116.9(4) . . ?
C00I C009 C005 124.3(4) . . ?
C004 C009 C005 117.3(4) . . ?
C00R C00A C00P 119.3(4) . . ?
C00R C00A C00H 121.9(4) . . ?
C00P C00A C00H 118.3(4) . . ?
C005 C00B C00Y 119.9(4) . . ?
C005 C00B C00K 123.3(4) . . ?
C00Y C00B C00K 115.6(4) . . ?
C01J C00C C00S 121.4(4) . . ?
C01T C00E C016 120.5(4) . . ?
C01P C00F C01C 116.6(4) . . ?
C01P C00F C00W 120.5(5) . . ?
C01C C00F C00W 122.0(4) . . ?
C00H C00G C00J 119.8(4) . . ?
C00H C00G C00L 118.7(4) . . ?
C00J C00G C00L 121.4(4) . . ?
C00G C00H C005 120.2(4) . . ?
C00G C00H C00A 118.3(4) . . ?
C005 C00H C00A 121.5(4) . . ?
C00M C00I C009 121.6(4) . . ?
C00Y C00J C00G 118.5(4) . . ?
C00Y C00J C00O 116.8(4) . . ?
C00G C00J C00O 122.2(4) . . ?
C012 C00K C013 117.8(4) . . ?
C012 C00K C00B 122.5(4) . . ?
C013 C00K C00B 119.1(4) . . ?
C00N C00L C014 119.4(4) . . ?
C00N C00L C00G 121.7(4) . . ?
C014 C00L C00G 118.5(4) . . ?
C00I C00M C00X 121.0(4) . . ?
C01N C00N C00L 122.3(4) . . ?
C01J C00O C008 117.6(4) . . ?
C01J C00O C00J 124.4(4) . . ?
C008 C00O C00J 116.0(4) . . ?
C00A C00P C02E 117.8(4) . . ?
C00A C00P C014 119.0(4) . . ?
C02E C00P C014 121.7(4) . . ?
C01B C00Q C026 117.3(5) . . ?
C01B C00Q C016 124.9(4) . . ?
C026 C00Q C016 116.6(4) . . ?
C025 C00R C00A 121.8(4) . . ?
C00C C00S C00T 117.3(4) . . ?
C00C C00S C01X 124.5(4) . . ?
C00T C00S C01X 117.5(4) . . ?
C008 C00T C00S 120.8(4) . . ?
C01E C00U C00W 121.4(4) . . ?
C01T C00V C022 118.5(5) . . ?
C01T C00V C00Z 119.6(4) . . ?
C022 C00V C00Z 120.3(4) . . ?
C00U C00W C021 116.7(4) . . ?
C00U C00W C00F 121.7(4) . . ?
C021 C00W C00F 120.7(4) . . ?
C006 C00X C00M 116.6(4) . . ?
C006 C00X C01M 119.7(4) . . ?
C00M C00X C01M 122.5(4) . . ?
C00J C00Y C00B 121.0(4) . . ?
C00J C00Y C007 120.1(4) . . ?
C00B C00Y C007 117.8(4) . . ?
C017 C00Z C020 117.5(5) . . ?
C017 C00Z C00V 125.0(4) . . ?
C020 C00Z C00V 116.4(4) . . ?
C01Q C010 C01F 117.4(4) . . ?
C01Q C010 C02C 120.0(4) . . ?
C01F C010 C02C 122.6(4) . . ?
C01I C011 C02I 118.4(5) . . ?
C01I C011 C01W 120.2(4) . . ?
C02I C011 C01W 120.2(4) . . ?
C00K C012 C029 121.8(4) . . ?
C01L C013 C00K 121.0(4) . . ?
C00L C014 C02F 117.4(5) . . ?
C00L C014 C00P 119.0(4) . . ?
C02F C014 C00P 121.9(4) . . ?
C01F C015 C007 121.4(4) . . ?
C02G C016 C00E 118.1(5) . . ?
C02G C016 C00Q 121.4(4) . . ?
C00E C016 C00Q 118.1(4) . . ?
C01A C017 C00Z 120.6(4) . . ?
C02O C018 C02N 118.3(5) . . ?
C02O C018 C028 123.0(5) . . ?
C02N C018 C028 117.0(5) . . ?
C021 C019 C01Y 120.5(4) . . ?
C017 C01A C01S 122.2(5) . . ?
C01O C01B C00Q 121.2(4) . . ?
C02A C01C C00F 120.9(4) . . ?
C023 C01D C01M 120.7(5) . . ?
C00U C01E C01Y 120.9(4) . . ?
C015 C01F C010 121.3(4) . . ?
C029 C01H C01L 117.1(4) . . ?
C029 C01H C027 123.2(4) . . ?
C01L C01H C027 119.7(4) . . ?
C01R C01I C011 119.5(5) . . ?
C00C C01J C00O 120.4(4) . . ?
C01Q C01K C007 120.8(4) . . ?
C013 C01L C01H 121.4(4) . . ?
C02R C01M C01D 116.5(5) . . ?
C02R C01M C00X 119.2(4) . . ?
C01D C01M C00X 122.9(4) . . ?
C00N C01N C02J 115.6(5) . . ?
C00N C01N C030 122.7(5) . . ?
C02J C01N C030 120.6(4) . . ?
C01B C01O C01W 121.6(4) . . ?
C01Z C01P C00F 121.9(5) . . ?
C01K C01Q C010 121.5(4) . . ?
C01I C01R C01U 122.2(5) . . ?
C02L C01S C01A 116.4(5) . . ?
C02L C01S C01Y 117.8(4) . . ?
C01A C01S C01Y 124.9(4) . . ?
C00E C01T C00V 119.9(4) . . ?
C01R C01U C02H 116.1(5) . . ?
C01R C01U C01V 121.7(4) . . ?
C02H C01U C01V 121.5(4) . . ?
C023 C01V C02U 117.1(4) . . ?
C023 C01V C01U 123.1(4) . . ?
C02U C01V C01U 118.5(4) . . ?
C01O C01W C024 117.0(5) . . ?
C01O C01W C011 124.5(4) . . ?
C024 C01W C011 117.7(4) . . ?
C02A C01X C01Z 117.1(4) . . ?
C02A C01X C00S 124.2(4) . . ?
C01Z C01X C00S 117.8(4) . . ?
C019 C01Y C01E 116.7(5) . . ?
C019 C01Y C01S 120.5(4) . . ?
C01E C01Y C01S 121.5(4) . . ?
C01P C01Z C01X 120.9(4) . . ?
C02L C020 C00Z 120.9(4) . . ?
C019 C021 C00W 121.7(4) . . ?
C02G C022 C00V 119.4(4) . . ?
C01D C023 C01V 121.8(4) . . ?
C026 C024 C01W 121.4(4) . . ?
C00R C025 C02B 116.4(4) . . ?
C00R C025 C02D 121.3(4) . . ?
C02B C025 C02D 121.0(4) . . ?
C024 C026 C00Q 120.9(5) . . ?
C03A C027 C03J 111.0(5) . . ?
C03A C027 C034 108.8(4) . . ?
C03J C027 C034 108.2(5) . . ?
C03A C027 C01H 109.3(4) . . ?
C03J C027 C01H 107.8(4) . . ?
C034 C027 C01H 111.8(4) . . ?
C03H C028 C02S 116.9(6) . . ?
C03H C028 C018 123.4(5) . . ?
C02S C028 C018 117.8(5) . . ?
C01H C029 C012 120.6(4) . . ?
C01X C02A C01C 122.0(5) . . ?
C02E C02B C025 121.7(4) . . ?
C04I C02C C04B 110.9(6) . . ?
C04I C02C C010 107.9(5) . . ?
C04B C02C C010 110.3(5) . . ?
C04I C02C C04Q 107.5(6) . . ?
C04B C02C C04Q 108.2(6) . . ?
C010 C02C C04Q 112.1(4) . . ?
C02X C02D C02M 117.4(4) . . ?
C02X C02D C025 119.2(5) . . ?
C02M C02D C025 122.7(4) . . ?
C02B C02E C00P 120.1(5) . . ?
C02J C02F C014 120.1(5) . . ?
C022 C02G C016 121.2(5) . . ?
C02I C02H C01U 121.5(5) . . ?
C02H C02I C011 120.2(5) . . ?
C02F C02J C01N 121.9(5) . . ?
C02Q C02K C02P 116.6(5) . . ?
C02Q C02K C031 121.0(5) . . ?
C02P C02K C031 121.4(5) . . ?
C020 C02L C01S 122.0(4) . . ?
C02V C02M C02D 120.0(5) . . ?
C02Q C02N C018 119.3(5) . . ?
C02P C02O C018 121.2(5) . . ?
C02O C02P C02K 120.6(5) . . ?
C02K C02Q C02N 122.6(5) . . ?
C02U C02R C01M 122.4(5) . . ?
C02W C02S C028 120.3(5) . . ?
C02X C02T C037 122.2(5) . . ?
C02R C02U C01V 121.2(5) . . ?
C037 C02V C02M 122.2(5) . . ?
C02S C02W C033 121.4(5) . . ?
C02T C02X C02D 120.8(5) . . ?
C036 C02Y C03M 117.3(7) . . ?
C036 C02Y C03D 118.7(5) . . ?
C03M C02Y C03D 122.9(6) . . ?
C03E C02Z C03F 115.8(6) . . ?
C03E C02Z C039 124.7(5) . . ?
C03F C02Z C039 118.0(6) . . ?
C03T C030 C03K 115.6(5) . . ?
C03T C030 C01N 119.3(5) . . ?
C03K C030 C01N 123.8(5) . . ?
C03L C031 C03N 116.1(5) . . ?
C03L C031 C02K 119.2(5) . . ?
C03N C031 C02K 123.2(5) . . ?
C038 C032 C035 121.0(5) . . ?
C03R C033 C02W 116.9(6) . . ?
C03R C033 C03I 123.3(6) . . ?
C02W C033 C03I 117.4(6) . . ?
C032 C035 C03G 115.9(5) . . ?
C032 C035 C037 119.3(4) . . ?
C03G C035 C037 123.1(5) . . ?
C03F C036 C02Y 121.6(6) . . ?
C02V C037 C02T 116.7(5) . . ?
C02V C037 C035 124.2(5) . . ?
C02T C037 C035 117.9(5) . . ?
C032 C038 C039 121.6(5) . . ?
C038 C039 C03B 115.5(6) . . ?
C038 C039 C02Z 120.8(5) . . ?
C03B C039 C02Z 122.4(5) . . ?
C03G C03B C039 120.8(5) . . ?
C03O C03D C03P 115.8(7) . . ?
C03O C03D C02Y 123.0(7) . . ?
C03P C03D C02Y 119.4(6) . . ?
C03M C03E C02Z 123.0(6) . . ?
C036 C03F C02Z 121.3(6) . . ?
C03B C03G C035 121.9(5) . . ?
C03R C03H C028 120.7(6) . . ?
C03V C03I C03S 117.0(7) . . ?
C03V C03I C033 117.4(6) . . ?
C03S C03I C033 124.4(6) . . ?
C03N C03K C030 123.0(5) . . ?
C03T C03L C031 122.4(5) . . ?
C03E C03M C02Y 120.2(6) . . ?
C03K C03N C031 120.5(6) . . ?
C03S C03O C03D 121.9(7) . . ?
C03V C03P C03D 122.8(6) . . ?
C03H C03R C033 121.4(6) . . ?
C03O C03S C03I 120.9(6) . . ?
C030 C03T C03L 121.8(6) . . ?
C03P C03V C03I 120.3(7) . . ?
C040 C03Y C05O 123.5(7) . . ?
C040 C03Y C063 123.2(7) . . ?
C05O C03Y C063 106.1(7) . . ?
C04N C03Z C05Y 121.3(6) . . ?
C04N C03Z C04A 121.8(7) . . ?
C05Y C03Z C04A 108.2(6) . . ?
C03Y C040 C05C 116.2(6) . . ?
C03Y C040 C04N 120.1(7) . . ?
C05C C040 C04N 117.3(7) . . ?
C05D C041 C058 124.1(7) . . ?
C05D C041 C04J 119.9(6) . . ?
C058 C041 C04J 107.7(6) . . ?
C05J C044 C04T 121.7(7) . . ?
C05J C044 C04H 120.0(7) . . ?
C04T C044 C04H 107.1(6) . . ?
C04U C047 C052 122.5(6) . . ?
C04U C047 C04T 121.5(6) . . ?
C052 C047 C04T 106.7(6) . . ?
C05A C04A C03Z 119.1(7) . . ?
C05A C04A C04D 118.9(7) . . ?
C03Z C04A C04D 109.6(6) . . ?
C05T C04D C04Y 121.3(7) . . ?
C05T C04D C04A 119.8(8) . . ?
C04Y C04D C04A 106.8(7) . . ?
C05B C04G C04U 123.2(7) . . ?
C05B C04G C04V 108.3(6) . . ?
C04U C04G C04V 119.4(6) . . ?
C05M C04H C052 121.1(7) . . ?
C05M C04H C044 120.8(7) . . ?
C052 C04H C044 107.0(6) . . ?
C055 C04J C05H 122.8(6) . . ?
C055 C04J C041 121.5(6) . . ?
C05H C04J C041 107.2(6) . . ?
C059 C04K C06H 124.3(7) . . ?
C059 C04K C05C 120.6(7) . . ?
C06H C04K C05C 106.5(7) . . ?
C05I C04L C05D 122.1(7) . . ?
C05I C04L C05W 109.2(7) . . ?
C05D C04L C05W 120.5(7) . . ?
C03Z C04N C053 117.5(6) . . ?
C03Z C04N C040 119.4(7) . . ?
C053 C04N C040 116.2(7) . . ?
C05J C04O C05E 119.2(6) . . ?
C05J C04O C056 108.4(6) . . ?
C05E C04O C056 114.9(7) . . ?
C05B C04R C05W 120.2(7) . . ?
C05B C04R C05N 120.7(7) . . ?
C05W C04R C05N 106.7(7) . . ?
C05P C04T C044 121.8(7) . . ?
C05P C04T C047 120.3(6) . . ?
C044 C04T C047 108.8(6) . . ?
C047 C04U C04G 117.8(6) . . ?
C047 C04U C055 119.1(6) . . ?
C04G C04U C055 116.4(6) . . ?
C05P C04V C04G 122.1(6) . . ?
C05P C04V C051 120.5(6) . . ?
C04G C04V C051 107.1(7) . . ?
C056 C04Y C04D 120.9(7) . . ?
C056 C04Y C05Y 120.3(6) . . ?
C04D C04Y C05Y 107.1(7) . . ?
C06O C051 C067 122.2(7) . . ?
C06O C051 C04V 119.4(7) . . ?
C067 C051 C04V 107.6(6) . . ?
C05H C052 C047 120.3(7) . . ?
C05H C052 C04H 119.6(6) . . ?
C047 C052 C04H 110.3(6) . . ?
C06L C053 C04N 122.9(7) . . ?
C06L C053 C062 107.7(6) . . ?
C04N C053 C062 120.0(7) . . ?
C05W C055 C04J 116.7(6) . . ?
C05W C055 C04U 119.3(6) . . ?
C04J C055 C04U 117.0(6) . . ?
C04Y C056 C06M 121.2(8) . . ?
C04Y C056 C04O 121.0(7) . . ?
C06M C056 C04O 106.5(7) . . ?
C06H C058 C041 119.2(7) . . ?
C06H C058 C05Q 120.7(7) . . ?
C041 C058 C05Q 109.0(6) . . ?
C063 C059 C04K 117.7(7) . . ?
C063 C059 C05D 118.9(7) . . ?
C04K C059 C05D 116.4(7) . . ?
C04A C05A C05C 121.0(7) . . ?
C04A C05A C06E 120.1(7) . . ?
C05C C05A C06E 108.7(7) . . ?
C04R C05B C04G 119.0(7) . . ?
C04R C05B C067 120.4(7) . . ?
C04G C05B C067 109.5(7) . . ?
C05A C05C C040 121.1(7) . . ?
C05A C05C C04K 109.3(7) . . ?
C040 C05C C04K 120.3(7) . . ?
C041 C05D C04L 119.1(7) . . ?
C041 C05D C059 116.6(6) . . ?
C04L C05D C059 116.3(7) . . ?
C05T C05E C04O 122.3(7) . . ?
C05T C05E C05M 110.1(7) . . ?
C04O C05E C05M 118.9(7) . . ?
C052 C05H C05Q 119.2(7) . . ?
C052 C05H C04J 117.9(6) . . ?
C05Q C05H C04J 109.9(6) . . ?
C061 C05I C04L 121.9(8) . . ?
C061 C05I C05N 119.7(7) . . ?
C04L C05I C05N 107.1(7) . . ?
C044 C05J C04O 121.3(7) . . ?
C044 C05J C06Y 118.2(7) . . ?
C04O C05J C06Y 108.7(7) . . ?
C05Q C05K C06K 121.1(7) . . ?
C05Q C05K C05M 118.6(6) . . ?
C06K C05K C05M 109.4(7) . . ?
C06J C05L C06G 123.4(8) . . ?
C06J C05L C060 118.1(7) . . ?
C06G C05L C060 107.4(7) . . ?
C04H C05M C05E 119.3(7) . . ?
C04H C05M C05K 119.8(7) . . ?
C05E C05M C05K 105.0(7) . . ?
C068 C05N C05I 119.7(7) . . ?
C068 C05N C04R 118.6(8) . . ?
C05I C05N C04R 108.6(6) . . ?
C06L C05O C03Y 117.6(7) . . ?
C06L C05O C06I 119.3(8) . . ?
C03Y C05O C06I 111.3(6) . . ?
C04T C05P C04V 116.7(6) . . ?
C04T C05P C076 117.6(7) . . ?
C04V C05P C076 118.5(6) . . ?
C05K C05Q C05H 121.7(7) . . ?
C05K C05Q C058 118.9(7) . . ?
C05H C05Q C058 106.2(6) . . ?
C04D C05T C05E 119.4(7) . . ?
C04D C05T C06K 121.9(8) . . ?
C05E C05T C06K 106.8(7) . . ?
C055 C05W C04R 121.6(8) . . ?
C055 C05W C04L 120.6(7) . . ?
C04R C05W C04L 108.4(7) . . ?
C06D C05X C064 121.8(7) . . ?
C06D C05X C062 119.0(7) . . ?
C064 C05X C062 108.1(6) . . ?
C03Z C05Y C06C 121.9(7) . . ?
C03Z C05Y C04Y 108.3(6) . . ?
C06C C05Y C04Y 120.2(7) . . ?
C064 C060 C06Z 121.2(7) . . ?
C064 C060 C05L 120.4(8) . . ?
C06Z C060 C05L 106.1(6) . . ?
C05I C061 C06I 121.4(8) . . ?
C05I C061 C063 119.4(7) . . ?
C06I C061 C063 107.4(6) . . ?
C06C C062 C053 120.4(7) . . ?
C06C C062 C05X 122.5(7) . . ?
C053 C062 C05X 106.4(6) . . ?
C059 C063 C03Y 119.8(7) . . ?
C059 C063 C061 120.9(7) . . ?
C03Y C063 C061 108.2(7) . . ?
C060 C064 C05X 119.3(8) . . ?
C060 C064 C06L 121.4(8) . . ?
C05X C064 C06L 108.2(6) . . ?
C066 C065 C06M 118.5(8) . . ?
C066 C065 C06C 118.3(7) . . ?
C06M C065 C06C 118.0(7) . . ?
C065 C066 C06D 122.7(7) . . ?
C065 C066 C06X 119.8(7) . . ?
C06D C066 C06X 106.6(7) . . ?
C06G C067 C05B 120.3(8) . . ?
C06G C067 C051 119.3(8) . . ?
C05B C067 C051 107.4(6) . . ?
C05N C068 C06Z 121.4(8) . . ?
C05N C068 C06G 119.8(7) . . ?
C06Z C068 C06G 107.1(7) . . ?
C7CA C2CA C08I 114.6(14) . . ?
C7CA C2CA C0EA 119.3(8) . . ?
C08I C2CA C0EA 119.8(13) . . ?
C062 C06C C05Y 116.5(7) . . ?
C062 C06C C065 117.9(7) . . ?
C05Y C06C C065 118.4(7) . . ?
C05X C06D C06J 119.2(8) . . ?
C05X C06D C066 119.6(7) . . ?
C06J C06D C066 108.5(7) . . ?
C06K C06E C05A 120.8(8) . . ?
C06K C06E C06H 121.4(7) . . ?
C05A C06E C06H 104.8(7) . . ?
C067 C06G C05L 119.3(8) . . ?
C067 C06G C068 120.1(7) . . ?
C05L C06G C068 108.0(7) . . ?
C058 C06H C04K 119.0(7) . . ?
C058 C06H C06E 118.4(8) . . ?
C04K C06H C06E 110.7(7) . . ?
C06Z C06I C05O 120.4(7) . . ?
C06Z C06I C061 119.1(7) . . ?
C05O C06I C061 106.9(6) . . ?
C05L C06J C06D 121.2(8) . . ?
C05L C06J C06O 117.9(7) . . ?
C06D C06J C06O 108.6(7) . . ?
C06E C06K C05K 119.5(7) . . ?
C06E C06K C05T 118.3(7) . . ?
C05K C06K C05T 108.6(7) . . ?
C05O C06L C053 119.5(8) . . ?
C05O C06L C064 118.8(7) . . ?
C053 C06L C064 109.6(7) . . ?
C056 C06M C065 121.6(8) . . ?
C056 C06M C06Y 108.5(7) . . ?
C065 C06M C06Y 119.9(7) . . ?
C051 C06O C06X 121.1(7) . . ?
C051 C06O C06J 117.9(8) . . ?
C06X C06O C06J 108.2(7) . . ?
C5EA C06V C3BA 122.7(17) . . ?
C5EA C06V C07G 118.3(19) . . ?
C3BA C06V C07G 109.9(19) . . ?
C06O C06X C076 121.2(8) . . ?
C06O C06X C066 108.1(7) . . ?
C076 C06X C066 120.9(7) . . ?
C05J C06Y C076 121.2(7) . . ?
C05J C06Y C06M 107.7(7) . . ?
C076 C06Y C06M 121.8(7) . . ?
C068 C06Z C06I 118.6(7) . . ?
C068 C06Z C060 111.4(8) . . ?
C06I C06Z C060 118.9(7) . . ?
C1AA C073 C0BA 126(2) . . ?
C1AA C073 C9CA 106(2) . . ?
C0BA C073 C9CA 112.1(18) . . ?
C0EA C3MA C3JA 108.7(10) . . ?
C0EA C3MA C8JA 119.1(8) . . ?
C3JA C3MA C8JA 118.9(8) . . ?
C06X C076 C06Y 115.8(8) . . ?
C06X C076 C05P 119.0(8) . . ?
C06Y C076 C05P 119.2(7) . . ?
C1CA C0CA C6CA 121.4(9) . . ?
C1CA C0CA C0EA 125.7(15) . . ?
C6CA C0CA C0EA 107.0(13) . . ?
C1AA C8LA C6JA 107.1(8) . . ?
C1AA C8LA C6AA 124.2(17) . . ?
C6JA C8LA C6AA 120.0(8) . . ?
C0DA C8BA C1AA 123.4(18) . . ?
C0DA C8BA C9BA 119.6(8) . . ?
C1AA C8BA C9BA 107.7(7) . . ?
C8BA C1AA C073 109.8(19) . . ?
C8BA C1AA C8LA 109.0(8) . . ?
C073 C1AA C8LA 131(2) . . ?
C4AA C6JA C9BA 124.5(17) . . ?
C4AA C6JA C8LA 120.6(8) . . ?
C9BA C6JA C8LA 107.7(7) . . ?
C0BA C8FA C7FA 119.7(9) . . ?
C0BA C8FA C07G 126.9(17) . . ?
C7FA C8FA C07G 105.7(14) . . ?
C8CA C07G C06V 127(2) . . ?
C8CA C07G C8FA 115.9(19) . . ?
C06V C07G C8FA 105.3(19) . . ?
C4GA C2EA C9CA 108.2(7) . . ?
C4GA C2EA C6AA 116.9(15) . . ?
C9CA C2EA C6AA 123.8(17) . . ?
C8EA C4DA C8CA 126.2(16) . . ?
C8EA C4DA C4GA 119.1(8) . . ?
C8CA C4DA C4GA 107.6(7) . . ?
C8CA C9CA C2EA 108.1(8) . . ?
C8CA C9CA C073 119.9(17) . . ?
C2EA C9CA C073 125.9(17) . . ?
C1CA C2BA C7AA 108.4(7) . . ?
C1CA C2BA C08I 123.6(14) . . ?
C7AA C2BA C08I 116.5(13) . . ?
C2CA C0EA C3MA 119.8(8) . . ?
C2CA C0EA C0CA 123.2(13) . . ?
C3MA C0EA C0CA 107.0(12) . . ?
C06V C5EA C4EA 123.7(17) . . ?
C06V C5EA C8EA 118.6(15) . . ?
C4EA C5EA C8EA 108.1(8) . . ?
C07G C8CA C9CA 128(2) . . ?
C07G C8CA C4DA 112.9(19) . . ?
C9CA C8CA C4DA 108.4(8) . . ?
C6CA C3JA C5AA 118.0(8) . . ?
C6CA C3JA C3MA 109.4(11) . . ?
C5AA C3JA C3MA 121.5(8) . . ?
C5DA C0BA C8FA 120.2(9) . . ?
C5DA C0BA C073 118.8(17) . . ?
C8FA C0BA C073 116.3(18) . . ?
C2AA C7CA C2CA 121.0(11) . . ?
C2AA C7CA C9JA 109.4(7) . . ?
C2CA C7CA C9JA 121.5(8) . . ?
C8AA C4GA C2EA 122.0(16) . . ?
C8AA C4GA C4DA 119.8(9) . . ?
C2EA C4GA C4DA 107.5(7) . . ?
C8JA C9JA C7CA 120.0(8) . . ?
C8JA C9JA C0KA 120.3(7) . . ?
C7CA C9JA C0KA 105.5(7) . . ?
C8LA C6AA C8MA 118.5(9) . . ?
C8LA C6AA C2EA 108.2(18) . . ?
C8MA C6AA C2EA 117.3(15) . . ?
C7FA C3BA C06V 109.1(15) . . ?
C7FA C3BA C4BA 121.7(8) . . ?
C06V C3BA C4BA 115.7(14) . . ?
C7DA C2AA C7CA 119.3(13) . . ?
C7DA C2AA C9DA 120.3(8) . . ?
C7CA C2AA C9DA 109.5(7) . . ?
C8DA C1FA C8EA 120.4(8) . . ?
C8DA C1FA C3EA 121.1(8) . . ?
C8EA C1FA C3EA 107.1(7) . . ?
C2AA C7DA C1DA 123.9(13) . . ?
C2AA C7DA C6DA 119.5(8) . . ?
C1DA C7DA C6DA 109.1(7) . . ?
C1FA C8DA C5AA 119.7(8) . . ?
C1FA C8DA C8AA 116.9(8) . . ?
C5AA C8DA C8AA 113.2(14) . . ?
C4DA C8EA C1FA 122.5(8) . . ?
C4DA C8EA C5EA 116.5(16) . . ?
C1FA C8EA C5EA 108.9(7) . . ?
C08I C1DA C7DA 114.2(15) . . ?
C08I C1DA C3DA 124.2(15) . . ?
C7DA C1DA C3DA 109.0(8) . . ?
C6DA C5BA C2GA 116.0(17) . . ?
C6DA C5BA C6EA 120.7(8) . . ?
C2GA C5BA C6EA 108.2(7) . . ?
C6BA C7AA C4BA 120.9(8) . . ?
C6BA C7AA C2BA 125.3(14) . . ?
C4BA C7AA C2BA 107.3(7) . . ?
C7AA C4BA C0AA 108.5(7) . . ?
C7AA C4BA C3BA 118.3(8) . . ?
C0AA C4BA C3BA 116.5(13) . . ?
C5BA C6DA C7DA 119.6(8) . . ?
C5BA C6DA C2DA 129.9(15) . . ?
C7DA C6DA C2DA 106.3(7) . . ?
C8BA C0DA C5DA 124.1(17) . . ?
C8BA C0DA C1GA 119.2(8) . . ?
C5DA C0DA C1GA 107.3(7) . . ?
C2GA C1GA C0DA 120.2(8) . . ?
C2GA C1GA C0GA 121.1(17) . . ?
C0DA C1GA C0GA 107.9(7) . . ?
C1DA C08I C2CA 126.5(17) . . ?
C1DA C08I C2BA 112.1(14) . . ?
C2CA C08I C2BA 111.3(14) . . ?
C0BA C5DA C0DA 115.5(17) . . ?
C0BA C5DA C9EA 120.3(9) . . ?
C0DA C5DA C9EA 108.3(7) . . ?
C4GA C8AA C8DA 120.9(9) . . ?
C4GA C8AA C5JA 127.6(19) . . ?
C8DA C8AA C5JA 101.8(16) . . ?
C3BA C7FA C8FA 110.0(14) . . ?
C3BA C7FA C6FA 120.2(8) . . ?
C8FA C7FA C6FA 118.2(8) . . ?
C2DA C3DA C1DA 106.4(7) . . ?
C2DA C3DA C6BA 119.4(8) . . ?
C1DA C3DA C6BA 126.0(14) . . ?
C4EA C0AA C4BA 124.9(15) . . ?
C4EA C0AA C1CA 119.4(8) . . ?
C4BA C0AA C1CA 106.6(7) . . ?
C0AA C4EA C5EA 116.4(15) . . ?
C0AA C4EA C3EA 121.5(8) . . ?
C5EA C4EA C3EA 109.0(7) . . ?
C9DA C6EA C0HA 120.0(8) . . ?
C9DA C6EA C5BA 119.0(7) . . ?
C0HA C6EA C5BA 108.6(7) . . ?
C5HA C5AA C8DA 108.1(14) . . ?
C5HA C5AA C3JA 120.7(8) . . ?
C8DA C5AA C3JA 119.4(8) . . ?
C1GA C2GA C5BA 119.3(17) . . ?
C1GA C2GA C3GA 120.7(8) . . ?
C5BA C2GA C3GA 107.1(7) . . ?
C9JA C8JA C3MA 117.4(7) . . ?
C9JA C8JA C3CA 118.0(7) . . ?
C3MA C8JA C3CA 118.5(7) . . ?
C3EA C6CA C3JA 122.0(8) . . ?
C3EA C6CA C0CA 118.4(8) . . ?
C3JA C6CA C0CA 107.7(12) . . ?
C6FA C9EA C0GA 121.5(8) . . ?
C6FA C9EA C5DA 120.1(8) . . ?
C0GA C9EA C5DA 107.7(7) . . ?
C7AA C6BA C3DA 113.8(13) . . ?
C7AA C6BA C6FA 120.0(8) . . ?
C3DA C6BA C6FA 118.6(8) . . ?
C2DA C0GA C9EA 119.7(8) . . ?
C2DA C0GA C1GA 119.5(17) . . ?
C9EA C0GA C1GA 108.6(7) . . ?
C9EA C6FA C6BA 119.1(7) . . ?
C9EA C6FA C7FA 118.2(7) . . ?
C6BA C6FA C7FA 118.1(7) . . ?
C0MA C0KA C9DA 119.6(8) . . ?
C0MA C0KA C9JA 121.9(7) . . ?
C9DA C0KA C9JA 108.0(7) . . ?
C0KA C0MA C3AA 121.6(8) . . ?
C0KA C0MA C5LA 120.3(8) . . ?
C3AA C0MA C5LA 109.3(7) . . ?
C6EA C9DA C2AA 120.4(7) . . ?
C6EA C9DA C0KA 121.7(7) . . ?
C2AA C9DA C0KA 107.5(7) . . ?
C0CA C1CA C2BA 116.2(15) . . ?
C0CA C1CA C0AA 119.9(9) . . ?
C2BA C1CA C0AA 108.6(7) . . ?
C0GA C2DA C3DA 121.4(8) . . ?
C0GA C2DA C6DA 113.4(16) . . ?
C3DA C2DA C6DA 108.2(8) . . ?
C6CA C3EA C4EA 118.7(8) . . ?
C6CA C3EA C1FA 119.7(8) . . ?
C4EA C3EA C1FA 107.0(7) . . ?
C8MA C5JA C8AA 114(2) . . ?
C8MA C5JA C5HA 118.0(9) . . ?
C8AA C5JA C5HA 107.1(17) . . ?
C9BA C3GA C0HA 122.7(15) . . ?
C9BA C3GA C2GA 119.5(8) . . ?
C0HA C3GA C2GA 108.4(7) . . ?
C5LA C0HA C6EA 119.3(8) . . ?
C5LA C0HA C3GA 125.2(14) . . ?
C6EA C0HA C3GA 107.6(7) . . ?
C3GA C9BA C8BA 120.1(8) . . ?
C3GA C9BA C6JA 112.6(17) . . ?
C8BA C9BA C6JA 107.7(8) . . ?
C0HA C5LA C4AA 115.7(17) . . ?
C0HA C5LA C0MA 118.2(8) . . ?
C4AA C5LA C0MA 107.8(7) . . ?
C12 C4HA C3HA 113.6(7) . . ?
C3HA C2HA C9FA 111.3(7) . . ?
C2HA C3HA C4HA 115.5(7) . . ?
C2HA C9FA C5GA 108.7(6) . . ?
C3AA C3CA C5HA 119.1(7) . . ?
C3AA C3CA C8JA 119.1(7) . . ?
C5HA C3CA C8JA 118.8(7) . . ?
C8MA C9AA C4AA 119.5(9) . . ?
C8MA C9AA C3AA 117.6(9) . . ?
C4AA C9AA C3AA 106.2(7) . . ?
C5JA C8MA C9AA 118.3(10) . . ?
C5JA C8MA C6AA 120.2(16) . . ?
C9AA C8MA C6AA 119.2(8) . . ?
C0OA C9GA C8HA 165(4) 3_665 . ?
C2OA C9GA C8HA 48.8(7) 3_665 . ?
C5OA C9GA C8HA 89.7(6) 3_665 . ?
C0OA C9GA C4FA 65(3) 3_665 . ?
C2OA C9GA C4FA 160.9(13) 3_665 . ?
C5OA C9GA C4FA 32.1(5) 3_665 . ?
C8HA C9GA C4FA 120.4(7) . . ?
C0OA C9GA C5CA 49(3) 3_665 . ?
C2OA C9GA C5CA 72.1(8) 3_665 . ?
C5OA C9GA C5CA 139.8(10) 3_665 . ?
C8HA C9GA C5CA 118.5(7) . . ?
C4FA C9GA C5CA 110.0(8) . . ?
C3OA C8HA C9GA 173(2) 3_665 . ?
C2OA C8HA C9GA 55.0(8) 3_665 . ?
C4OA C8HA C9GA 92.1(6) 3_665 . ?
C3OA C8HA C2KA 55.0(13) 3_665 . ?
C2OA C8HA C2KA 69.0(7) 3_665 . ?
C4OA C8HA C2KA 136.8(8) 3_665 . ?
C9GA C8HA C2KA 121.4(6) . . ?
C3OA C8HA C3IA 60.7(15) 3_665 . ?
C2OA C8HA C3IA 163.9(13) 3_665 . ?
C4OA C8HA C3IA 28.2(5) 3_665 . ?
C9GA C8HA C3IA 119.0(6) . . ?
C2KA C8HA C3IA 109.9(6) . . ?
C3OA C8HA C0OA 170(2) 3_665 3_665 ?
C2OA C8HA C0OA 53.0(6) 3_665 3_665 ?
C4OA C8HA C0OA 93.7(7) 3_665 3_665 ?
C9GA C8HA C0OA 3.4(9) . 3_665 ?
C2KA C8HA C0OA 118.5(7) . 3_665 ?
C3IA C8HA C0OA 120.1(7) . 3_665 ?
C7BA C3KA C5CA 105.6(16) 3_665 . ?
C8GA C3KA C5CA 104.8(13) 3_665 . ?
C7BA C3KA C2IA 123.6(16) 3_665 . ?
C8GA C3KA C2IA 18.1(11) 3_665 . ?
C5CA C3KA C2IA 120.6(7) . . ?
C7BA C3KA C4JA 14.8(14) 3_665 . ?
C8GA C3KA C4JA 126.9(13) 3_665 . ?
C5CA C3KA C4JA 118.6(7) . . ?
C2IA C3KA C4JA 108.9(6) . . ?
C9MA C5CA C0OA 70.6(11) 3_665 3_665 ?
C9MA C5CA C3KA 141.1(9) 3_665 . ?
C0OA C5CA C3KA 134.2(9) 3_665 . ?
C9MA C5CA C8IA 21.7(7) 3_665 . ?
C0OA C5CA C8IA 91.9(10) 3_665 . ?
C3KA C5CA C8IA 121.5(7) . . ?
C6NA C5CA C8IA 47.1(6) 3_665 . ?
C9MA C5CA C9GA 84.2(10) 3_665 . ?
C0OA C5CA C9GA 14.7(7) 3_665 . ?
C3KA C5CA C9GA 119.9(6) . . ?
C6NA C5CA C9GA 144.3(9) 3_665 . ?
C8IA C5CA C9GA 104.9(9) . . ?
C3OA C2KA C8HA 21.1(6) 3_665 . ?
C6HA C2KA C8HA 91.6(7) 3_665 . ?
C3OA C2KA C2IA 141.0(9) 3_665 . ?
C6HA C2KA C2IA 137.6(8) 3_665 . ?
C8HA C2KA C2IA 120.2(6) . . ?
C3OA C2KA C1KA 88.8(7) 3_665 . ?
C6HA C2KA C1KA 17.8(6) 3_665 . ?
C8HA C2KA C1KA 107.3(6) . . ?
C2IA C2KA C1KA 120.0(6) . . ?
C2OA C2KA C1KA 147.8(9) 3_665 . ?
C8GA C2IA C2KA 101.6(14) 3_665 . ?
C2JA C2IA C2KA 100.5(12) 3_665 . ?
C8GA C2IA C3KA 20.8(13) 3_665 . ?
C2JA C2IA C3KA 128.8(14) 3_665 . ?
C2KA C2IA C3KA 119.4(6) . . ?
C8GA C2IA C1IA 128.2(15) 3_665 . ?
C2JA C2IA C1IA 21.4(11) 3_665 . ?
C2KA C2IA C1IA 119.3(7) . . ?
C3KA C2IA C1IA 107.6(6) . . ?
C7LA C7IA C8IA 152(3) 3_665 . ?
C6NA C7IA C8IA 50.2(7) 3_665 . ?
C1EA C7IA C8IA 90.4(7) 3_665 . ?
C7LA C7IA C6LA 41(2) 3_665 . ?
C6NA C7IA C6LA 70.9(8) 3_665 . ?
C1EA C7IA C6LA 135.8(9) 3_665 . ?
C8IA C7IA C6LA 119.8(7) . . ?
C7LA C7IA C3FA 68(2) 3_665 . ?
C6NA C7IA C3FA 154.6(13) 3_665 . ?
C1EA C7IA C3FA 29.5(6) 3_665 . ?
C8IA C7IA C3FA 118.8(7) . . ?
C6LA C7IA C3FA 108.8(6) . . ?
C9MA C8IA C5CA 49.9(16) 3_665 . ?
C6NA C8IA C5CA 66.1(8) 3_665 . ?
C3NA C8IA C5CA 136.3(12) 3_665 . ?
C9MA C8IA C7IA 162(3) 3_665 . ?
C6NA C8IA C7IA 55.4(8) 3_665 . ?
C3NA C8IA C7IA 91.5(7) 3_665 . ?
C5CA C8IA C7IA 120.4(6) . . ?
C9MA C8IA C0JA 61.7(18) 3_665 . ?
C6NA C8IA C0JA 157.8(15) 3_665 . ?
C3NA C8IA C0JA 28.9(6) 3_665 . ?
C5CA C8IA C0JA 109.9(9) . . ?
C7IA C8IA C0JA 119.7(7) . . ?
C9MA C8IA C0OA 12.4(18) 3_665 3_665 ?
C6NA C8IA C0OA 104.6(10) 3_665 3_665 ?
C3NA C8IA C0OA 97.2(9) 3_665 3_665 ?
C5CA C8IA C0OA 40.5(6) . 3_665 ?
C7IA C8IA C0OA 150.3(10) . 3_665 ?
C0JA C8IA C0OA 69.5(7) . 3_665 ?
C7LA C8IA C0OA 143.4(9) 3_665 3_665 ?
C7LA C6LA C4JA 132.9(10) 3_665 . ?
C4MA C6LA C4JA 136.5(12) 3_665 . ?
C7LA C6LA C7IA 15.8(7) 3_665 . ?
C4MA C6LA C7IA 89.3(9) 3_665 . ?
C4JA C6LA C7IA 119.1(7) . . ?
C7LA C6LA C1JA 91.3(9) 3_665 . ?
C4MA C6LA C1JA 17.8(7) 3_665 . ?
C4JA C6LA C1JA 121.0(10) . . ?
C7IA C6LA C1JA 106.7(7) . . ?
C5KA C4JA C6LA 107.7(17) 3_665 . ?
C7BA C4JA C6LA 109.0(15) 3_665 . ?
C5KA C4JA C3KA 120.9(15) 3_665 . ?
C7BA C4JA C3KA 13.3(13) 3_665 . ?
C6LA C4JA C3KA 120.5(7) . . ?
C5KA C4JA C4IA 14.5(13) 3_665 . ?
C7BA C4JA C4IA 119.8(15) 3_665 . ?
C6LA C4JA C4IA 120.4(11) . . ?
C3KA C4JA C4IA 106.6(7) . . ?
C1MA C5FA C4FA 65.2(14) 3_665 . ?
C5OA C5FA C4FA 33.5(6) 3_665 . ?
C0LA C5FA C4FA 152.1(8) 3_665 . ?
C1MA C5FA C5NA 54.0(13) 3_665 . ?
C5OA C5FA C5NA 151.8(9) 3_665 . ?
C0LA C5FA C5NA 33.7(5) 3_665 . ?
C4FA C5FA C5NA 118.6(6) . . ?
C1MA C5FA C0IA 166(2) 3_665 . ?
C5OA C5FA C0IA 86.1(7) 3_665 . ?
C0LA C5FA C0IA 86.6(7) 3_665 . ?
C4FA C5FA C0IA 118.3(6) . . ?
C5NA C5FA C0IA 118.9(6) . . ?
C4OA C3IA C0IA 55.4(12) 3_665 . ?
C6GA C3IA C0IA 32.5(6) 3_665 . ?
C3OA C3IA C0IA 142.7(9) 3_665 . ?
C4OA C3IA C8HA 69.2(12) 3_665 . ?
C6GA C3IA C8HA 151.5(10) 3_665 . ?
C3OA C3IA C8HA 21.2(6) 3_665 . ?
C0IA C3IA C8HA 121.8(6) . . ?
C4OA C3IA C1BA 163.5(19) 3_665 . ?
C6GA C3IA C1BA 90.6(8) 3_665 . ?
C3OA C3IA C1BA 87.5(7) 3_665 . ?
C0IA C3IA C1BA 121.2(9) . . ?
C8HA C3IA C1BA 106.4(6) . . ?
C6HA C1KA C4LA 171(3) 3_665 . ?
C1HA C1KA C4LA 52.2(7) 3_665 . ?
C9KA C1KA C4LA 90.4(7) 3_665 . ?
C6HA C1KA C1BA 59.5(17) 3_665 . ?
C1HA C1KA C1BA 161.1(13) 3_665 . ?
C9KA C1KA C1BA 30.8(5) 3_665 . ?
C4LA C1KA C1BA 119.6(7) . . ?
C6HA C1KA C2KA 54.4(17) 3_665 . ?
C1HA C1KA C2KA 71.4(7) 3_665 . ?
C9KA C1KA C2KA 137.3(9) 3_665 . ?
C4LA C1KA C2KA 121.0(7) . . ?
C1BA C1KA C2KA 108.0(6) . . ?
C5OA C4FA C0OA 82.2(13) 3_665 3_665 ?
C1MA C4FA C0OA 160.6(12) 3_665 3_665 ?
C5OA C4FA C5FA 58.5(11) 3_665 . ?
C1MA C4FA C5FA 26.9(5) 3_665 . ?
C0OA C4FA C5FA 137.9(9) 3_665 . ?
C5OA C4FA C0JA 160.7(17) 3_665 . ?
C1MA C4FA C0JA 95.7(8) 3_665 . ?
C0OA C4FA C0JA 91.2(10) 3_665 . ?
C5FA C4FA C0JA 120.6(7) . . ?
C5OA C4FA C9GA 65.7(11) 3_665 . ?
C1MA C4FA C9GA 147.2(9) 3_665 . ?
C0OA C4FA C9GA 16.6(7) 3_665 . ?
C5FA C4FA C9GA 122.0(7) . . ?
C0JA C4FA C9GA 106.6(9) . . ?
C6GA C0IA C0NA 57.0(11) 3_665 . ?
C4OA C0IA C0NA 144.4(10) 3_665 . ?
C9IA C0IA C0NA 29.1(5) 3_665 . ?
C6GA C0IA C3IA 59.7(11) 3_665 . ?
C4OA C0IA C3IA 28.5(6) 3_665 . ?
C9IA C0IA C3IA 145.1(9) 3_665 . ?
C0NA C0IA C3IA 116.2(8) . . ?
C6GA C0IA C5FA 161.4(16) 3_665 . ?
C4OA C0IA C5FA 92.2(7) 3_665 . ?
C9IA C0IA C5FA 91.8(7) 3_665 . ?
C0NA C0IA C5FA 118.4(7) . . ?
C3IA C0IA C5FA 118.5(7) . . ?
C9KA C1BA C0FA 54.2(13) 3_665 . ?
C4CA C1BA C0FA 29.9(7) 3_665 . ?
C6HA C1BA C0FA 140.2(8) 3_665 . ?
C9KA C1BA C1KA 70.0(13) 3_665 . ?
C4CA C1BA C1KA 149.7(10) 3_665 . ?
C6HA C1BA C1KA 18.8(6) 3_665 . ?
C0FA C1BA C1KA 121.6(7) . . ?
C9KA C1BA C3IA 164.7(19) 3_665 . ?
C4CA C1BA C3IA 92.5(9) 3_665 . ?
C6HA C1BA C3IA 91.3(8) 3_665 . ?
C0FA C1BA C3IA 120.7(10) . . ?
C1KA C1BA C3IA 108.3(7) . . ?
C3LA C6KA C9HA 162(3) 3_665 . ?
C2FA C6KA C9HA 50.2(7) 3_665 . ?
C0LA C6KA C9HA 88.2(7) 3_665 . ?
C3LA C6KA C5NA 68.2(18) 3_665 . ?
C2FA C6KA C5NA 160.4(13) 3_665 . ?
C0LA C6KA C5NA 33.3(5) 3_665 . ?
C9HA C6KA C5NA 119.9(7) . . ?
C3LA C6KA C6MA 44.5(18) 3_665 . ?
C2FA C6KA C6MA 72.3(7) 3_665 . ?
C0LA C6KA C6MA 139.9(9) 3_665 . ?
C9HA C6KA C6MA 120.2(7) . . ?
C5NA C6KA C6MA 108.7(7) . . ?
C0LA C5NA C5FA 60.8(10) 3_665 . ?
C1MA C5NA C5FA 25.8(6) 3_665 . ?
C3LA C5NA C5FA 137.3(8) 3_665 . ?
C0LA C5NA C6KA 63.4(10) 3_665 . ?
C1MA C5NA C6KA 146.0(9) 3_665 . ?
C3LA C5NA C6KA 16.7(6) 3_665 . ?
C5FA C5NA C6KA 121.5(7) . . ?
C0LA C5NA C7KA 159.5(14) 3_665 . ?
C1MA C5NA C7KA 95.2(7) 3_665 . ?
C3LA C5NA C7KA 91.9(7) 3_665 . ?
C5FA C5NA C7KA 118.6(7) . . ?
C6KA C5NA C7KA 107.5(6) . . ?
C9IA C0NA C0IA 63.0(13) 3_665 . ?
C6GA C0NA C0IA 33.0(6) 3_665 . ?
C8KA C0NA C0IA 142.5(8) 3_665 . ?
C9IA C0NA C9HA 61.9(12) 3_665 . ?
C6GA C0NA C9HA 152.7(10) 3_665 . ?
C8KA C0NA C9HA 21.1(5) 3_665 . ?
C0IA C0NA C9HA 121.9(7) . . ?
C9IA C0NA C5MA 164.4(17) 3_665 . ?
C6GA C0NA C5MA 89.9(8) 3_665 . ?
C8KA C0NA C5MA 88.4(7) 3_665 . ?
C0IA C0NA C5MA 121.0(9) . . ?
C9HA C0NA C5MA 107.8(6) . . ?
C8KA C9HA C6KA 166(3) 3_665 . ?
C2FA C9HA C6KA 55.7(7) 3_665 . ?
C9IA C9HA C6KA 93.6(7) 3_665 . ?
C8KA C9HA C6IA 48.8(17) 3_665 . ?
C2FA C9HA C6IA 66.7(7) 3_665 . ?
C9IA C9HA C6IA 135.7(8) 3_665 . ?
C6KA C9HA C6IA 119.8(7) . . ?
C8KA C9HA C0NA 65.7(15) 3_665 . ?
C2FA C9HA C0NA 160.6(13) 3_665 . ?
C9IA C9HA C0NA 27.8(5) 3_665 . ?
C6KA C9HA C0NA 119.2(7) . . ?
C6IA C9HA C0NA 108.9(6) . . ?
C1NA C7KA C5IA 62.4(15) 3_665 . ?
C4NA C7KA C5IA 33.5(7) 3_665 . ?
C2LA C7KA C5IA 146.0(10) 3_665 . ?
C1NA C7KA C9LA 64.5(14) 3_665 . ?
C4NA C7KA C9LA 155.5(13) 3_665 . ?
C2LA C7KA C9LA 22.7(6) 3_665 . ?
C5IA C7KA C9LA 124.6(10) . . ?
C1NA C7KA C5NA 164(2) 3_665 . ?
C4NA C7KA C5NA 87.5(8) 3_665 . ?
C2LA C7KA C5NA 85.7(7) 3_665 . ?
C5IA C7KA C5NA 119.2(7) . . ?
C9LA C7KA C5NA 107.5(6) . . ?
C4NA C5IA C7KA 57.2(11) 3_665 . ?
C3NA C5IA C7KA 148.4(10) 3_665 . ?
C1NA C5IA C7KA 28.1(6) 3_665 . ?
C4NA C5IA C0JA 62.8(12) 3_665 . ?
C3NA C5IA C0JA 29.5(7) 3_665 . ?
C1NA C5IA C0JA 147.4(9) 3_665 . ?
C7KA C5IA C0JA 119.5(7) . . ?
C4NA C5IA C7GA 164.2(16) 3_665 . ?
C3NA C5IA C7GA 89.1(8) 3_665 . ?
C1NA C5IA C7GA 91.3(9) 3_665 . ?
C7KA C5IA C7GA 118.0(9) . . ?
C0JA C5IA C7GA 117.7(7) . . ?
C3NA C0JA C4FA 158(2) 3_665 . ?
C4NA C0JA C4FA 89.3(8) 3_665 . ?
C9MA C0JA C4FA 87.1(10) 3_665 . ?
C3NA C0JA C5IA 55.0(14) 3_665 . ?
C4NA C0JA C5IA 32.2(6) 3_665 . ?
C9MA C0JA C5IA 140.8(10) 3_665 . ?
C4FA C0JA C5IA 119.5(8) . . ?
C3NA C0JA C8IA 67.3(13) 3_665 . ?
C4NA C0JA C8IA 150.1(10) 3_665 . ?
C9MA C0JA C8IA 22.1(6) 3_665 . ?
C4FA C0JA C8IA 108.5(9) . . ?
C5IA C0JA C8IA 120.7(7) . . ?
C3NA C0JA C0OA 130.5(17) 3_665 3_665 ?
C4NA C0JA C0OA 129.4(10) 3_665 3_665 ?
C9MA C0JA C0OA 44.6(8) 3_665 3_665 ?
C4FA C0JA C0OA 42.6(6) . 3_665 ?
C5IA C0JA C0OA 151.1(10) . 3_665 ?
C8IA C0JA C0OA 66.2(7) . 3_665 ?
C2MA C4LA C1KA 165(3) 3_665 . ?
C1HA C4LA C1KA 50.9(7) 3_665 . ?
C4KA C4LA C1KA 91.6(7) 3_665 . ?
C2MA C4LA C2NA 49.5(18) 3_665 . ?
C1HA C4LA C2NA 71.2(7) 3_665 . ?
C4KA C4LA C2NA 136.9(9) 3_665 . ?
C1KA C4LA C2NA 119.6(7) . . ?
C2MA C4LA C1LA 64(2) 3_665 . ?
C1HA C4LA C1LA 160.0(14) 3_665 . ?
C4KA C4LA C1LA 29.5(6) 3_665 . ?
C1KA C4LA C1LA 119.4(7) . . ?
C2NA C4LA C1LA 109.0(6) . . ?
C7HA C7GA C3FA 67.2(15) 3_665 . ?
C1EA C7GA C3FA 33.0(7) 3_665 . ?
C1LA C7GA C3FA 148.6(13) 3_665 . ?
C7HA C7GA C4KA 52.5(14) 3_665 . ?
C1EA C7GA C4KA 151.5(14) 3_665 . ?
C1LA C7GA C4KA 29.4(6) 3_665 . ?
C3FA C7GA C4KA 119.7(12) . . ?
C7HA C7GA C5IA 154(2) 3_665 . ?
C1EA C7GA C5IA 88.0(9) 3_665 . ?
C1LA C7GA C5IA 86.4(10) 3_665 . ?
C3FA C7GA C5IA 119.7(8) . . ?
C4KA C7GA C5IA 114.3(11) . . ?
C4CA C0FA C1BA 62.2(15) 3_665 . ?
C9KA C0FA C1BA 32.0(7) 3_665 . ?
C7JA C0FA C1BA 149.5(12) 3_665 . ?
C4CA C0FA C5MA 56.4(14) 3_665 . ?
C9KA C0FA C5MA 149.8(13) 3_665 . ?
C7JA C0FA C5MA 32.0(6) 3_665 . ?
C1BA C0FA C5MA 117.9(10) . . ?
C4CA C0FA C7HA 161(2) 3_665 . ?
C9KA C0FA C7HA 89.7(9) 3_665 . ?
C7JA C0FA C7HA 86.2(10) 3_665 . ?
C1BA C0FA C7HA 119.0(8) . . ?
C5MA C0FA C7HA 116.0(11) . . ?
C7JA C5MA C0FA 61.3(14) 3_665 . ?
C4CA C5MA C0FA 29.8(7) 3_665 . ?
C1JA C5MA C0FA 142.1(10) 3_665 . ?
C7JA C5MA C4MA 63.8(14) 3_665 . ?
C4CA C5MA C4MA 150.5(13) 3_665 . ?
C1JA C5MA C4MA 19.8(6) 3_665 . ?
C0FA C5MA C4MA 122.6(10) . . ?
C7JA C5MA C0NA 162.9(18) 3_665 . ?
C4CA C5MA C0NA 92.3(10) 3_665 . ?
C1JA C5MA C0NA 89.6(8) 3_665 . ?
C0FA C5MA C0NA 120.3(10) . . ?
C4MA C5MA C0NA 107.5(7) . . ?
C9LA C2NA C1IA 139.1(9) 3_665 . ?
C2MA C2NA C1IA 136.8(9) 3_665 . ?
C9LA C2NA C4LA 87.8(8) 3_665 . ?
C2MA C2NA C4LA 17.3(6) 3_665 . ?
C1IA C2NA C4LA 120.0(6) . . ?
C9LA C2NA C2LA 21.0(7) 3_665 . ?
C2MA C2NA C2LA 92.0(8) 3_665 . ?
C1IA C2NA C2LA 119.6(7) . . ?
C4LA C2NA C2LA 107.7(6) . . ?
C6MA C2NA C2LA 44.8(6) 3_665 . ?
C1EA C3FA C7GA 61.7(14) 3_665 . ?
C7HA C3FA C7GA 32.7(7) 3_665 . ?
C1EA C3FA C7JA 157.8(19) 3_665 . ?
C7HA C3FA C7JA 87.3(10) 3_665 . ?
C7GA C3FA C7JA 119.0(11) . . ?
C7LA C3FA C7JA 89.7(8) 3_665 . ?
C1EA C3FA C7IA 62.7(13) 3_665 . ?
C7HA C3FA C7IA 151.2(11) 3_665 . ?
C7GA C3FA C7IA 123.3(7) . . ?
C7LA C3FA C7IA 18.5(6) 3_665 . ?
C7JA C3FA C7IA 108.0(7) . . ?
C5KA C4IA C2FA 104.0(17) 3_665 . ?
C7MA C4IA C2FA 105.5(12) 3_665 . ?
C5KA C4IA C1IA 124.2(15) 3_665 . ?
C7MA C4IA C1IA 17.3(11) 3_665 . ?
C2FA C4IA C1IA 120.9(7) . . ?
C5KA C4IA C4JA 15.5(13) 3_665 . ?
C7MA C4IA C4JA 125.9(13) 3_665 . ?
C2FA C4IA C4JA 117.6(10) . . ?
C1IA C4IA C4JA 108.8(7) . . ?
C4KA C1LA C7HA 58.1(14) 3_665 . ?
C7GA C1LA C7HA 31.3(7) 3_665 . ?
C2MA C1LA C7HA 139.2(8) 3_665 . ?
C4KA C1LA C4LA 66.1(14) 3_665 . ?
C7GA C1LA C4LA 151.0(10) 3_665 . ?
C2MA C1LA C4LA 18.6(6) 3_665 . ?
C7HA C1LA C4LA 121.3(7) . . ?
C4KA C1LA C1NA 162.9(19) 3_665 . ?
C7GA C1LA C1NA 91.5(9) 3_665 . ?
C2MA C1LA C1NA 90.2(8) 3_665 . ?
C7HA C1LA C1NA 120.1(10) . . ?
C4LA C1LA C1NA 107.6(7) . . ?
C7GA C7HA C1LA 67.0(15) 3_665 . ?
C4KA C7HA C1LA 31.3(7) 3_665 . ?
C3FA C7HA C1LA 146.7(11) 3_665 . ?
C7GA C7HA C1EA 51.3(14) 3_665 . ?
C4KA C7HA C1EA 148.7(13) 3_665 . ?
C3FA C7HA C1EA 29.3(6) 3_665 . ?
C1LA C7HA C1EA 117.5(10) . . ?
C7GA C7HA C0FA 166(2) 3_665 . ?
C4KA C7HA C0FA 89.2(9) 3_665 . ?
C3FA C7HA C0FA 92.3(10) 3_665 . ?
C1LA C7HA C0FA 118.8(8) . . ?
C1EA C7HA C0FA 119.4(10) . . ?
C7MA C1IA C2NA 102.0(13) 3_665 . ?
C2JA C1IA C2NA 100.4(13) 3_665 . ?
C7MA C1IA C4IA 19.7(12) 3_665 . ?
C2JA C1IA C4IA 129.9(14) 3_665 . ?
C2NA C1IA C4IA 119.7(7) . . ?
C7MA C1IA C2IA 127.4(15) 3_665 . ?
C2JA C1IA C2IA 22.1(11) 3_665 . ?
C2NA C1IA C2IA 120.1(6) . . ?
C4IA C1IA C2IA 108.1(6) . . ?
C9LA C2LA C3LA 160(2) 3_665 . ?
C6MA C2LA C3LA 54.5(7) 3_665 . ?
C7KA C2LA C3LA 94.1(7) 3_665 . ?
C9LA C2LA C2NA 48.2(14) 3_665 . ?
C6MA C2LA C2NA 67.5(7) 3_665 . ?
C7KA C2LA C2NA 133.0(8) 3_665 . ?
C3LA C2LA C2NA 120.1(7) . . ?
C9LA C2LA C1NA 62.5(15) 3_665 . ?
C6MA C2LA C1NA 157.5(13) 3_665 . ?
C7KA C2LA C1NA 26.4(5) 3_665 . ?
C3LA C2LA C1NA 119.1(7) . . ?
C2NA C2LA C1NA 108.2(6) . . ?
C9HA C2FA C4IA 140.1(10) 3_665 . ?
C6KA C2FA C4IA 132.9(9) 3_665 . ?
C9HA C2FA C8KA 19.5(6) 3_665 . ?
C6KA C2FA C8KA 93.2(8) 3_665 . ?
C4IA C2FA C8KA 122.4(9) . . ?
C9HA C2FA C3LA 88.5(8) 3_665 . ?
C6KA C2FA C3LA 14.8(6) 3_665 . ?
C4IA C2FA C3LA 118.9(7) . . ?
C8KA C2FA C3LA 107.3(6) . . ?
C8KA C6IA C5KA 139.3(9) 3_665 . ?
C1JA C6IA C5KA 138.4(12) 3_665 . ?
C8KA C6IA C9HA 19.6(7) 3_665 . ?
C1JA C6IA C9HA 91.6(8) 3_665 . ?
C5KA C6IA C9HA 119.9(7) . . ?
C2FA C6IA C9HA 45.6(6) 3_665 . ?
C8KA C6IA C4MA 90.2(8) 3_665 . ?
C1JA C6IA C4MA 18.3(7) 3_665 . ?
C5KA C6IA C4MA 120.3(11) . . ?
C2FA C6IA C4MA 147.8(9) 3_665 . ?
C9HA C6IA C4MA 107.4(7) . . ?
C6KA C3LA C2LA 162(4) 3_665 . ?
C6MA C3LA C2LA 49.7(7) 3_665 . ?
C5NA C3LA C2LA 88.0(7) 3_665 . ?
C6KA C3LA C0LA 62.2(18) 3_665 . ?
C6MA C3LA C0LA 158.1(13) 3_665 . ?
C5NA C3LA C0LA 33.0(5) 3_665 . ?
C2LA C3LA C0LA 119.7(6) . . ?
C6KA C3LA C2FA 48.5(18) 3_665 . ?
C6MA C3LA C2FA 72.9(7) 3_665 . ?
C5NA C3LA C2FA 139.2(8) 3_665 . ?
C2LA C3LA C2FA 120.9(7) . . ?
C0LA C3LA C2FA 108.2(6) . . ?
C1JA C4MA C7LA 166(3) 3_665 . ?
C6LA C4MA C7LA 52.1(9) 3_665 . ?
C7JA C4MA C7LA 94.7(11) 3_665 . ?
C1JA C4MA C5MA 65.0(19) 3_665 . ?
C6LA C4MA C5MA 163.7(16) 3_665 . ?
C7JA C4MA C5MA 30.2(6) 3_665 . ?
C7LA C4MA C5MA 122.9(11) . . ?
C1JA C4MA C6IA 50(2) 3_665 . ?
C6LA C4MA C6IA 68.3(10) 3_665 . ?
C7JA C4MA C6IA 137.2(9) 3_665 . ?
C7LA C4MA C6IA 117.4(12) . . ?
C5MA C4MA C6IA 108.4(7) . . ?
C0IA C6GA C4OA 58.3(10) 3_665 . ?
C0NA C6GA C4OA 147.5(9) 3_665 . ?
C3IA C6GA C4OA 29.5(5) 3_665 . ?
C0IA C6GA C9IA 61.5(11) 3_665 . ?
C0NA C6GA C9IA 28.5(5) 3_665 . ?
C3IA C6GA C9IA 148.7(8) 3_665 . ?
C4OA C6GA C9IA 119.6(6) . . ?
C0IA C6GA C4CA 160.9(16) 3_665 . ?
C0NA C6GA C4CA 89.7(7) 3_665 . ?
C3IA C6GA C4CA 89.5(7) 3_665 . ?
C4OA C6GA C4CA 117.7(6) . . ?
C9IA C6GA C4CA 117.2(6) . . ?
C0NA C9IA C6GA 55.5(13) 3_665 . ?
C0IA C9IA C6GA 32.5(6) 3_665 . ?
C9HA C9IA C6GA 142.4(8) 3_665 . ?
C0NA C9IA C8KA 68.9(13) 3_665 . ?
C0IA C9IA C8KA 152.2(10) 3_665 . ?
C9HA C9IA C8KA 21.7(6) 3_665 . ?
C6GA C9IA C8KA 123.1(7) . . ?
C0NA C9IA C0LA 158.4(18) 3_665 . ?
C0IA C9IA C0LA 88.0(7) 3_665 . ?
C9HA C9IA C0LA 86.5(7) 3_665 . ?
C6GA C9IA C0LA 119.0(7) . . ?
C8KA C9IA C0LA 107.8(6) . . ?
C5MA C7JA C4CA 56.8(13) 3_665 . ?
C0FA C7JA C4CA 29.9(7) 3_665 . ?
C4MA C7JA C4CA 139.9(9) 3_665 . ?
C5MA C7JA C3FA 161.0(19) 3_665 . ?
C0FA C7JA C3FA 94.2(10) 3_665 . ?
C4MA C7JA C3FA 87.1(8) 3_665 . ?
C4CA C7JA C3FA 122.7(11) . . ?
C5MA C7JA C1JA 66.3(14) 3_665 . ?
C0FA C7JA C1JA 149.7(11) 3_665 . ?
C4MA C7JA C1JA 20.1(6) 3_665 . ?
C4CA C7JA C1JA 121.8(7) . . ?
C3FA C7JA C1JA 106.9(7) . . ?
C9HA C8KA C9IA 65.2(15) 3_665 . ?
C6IA C8KA C9IA 156.8(14) 3_665 . ?
C0NA C8KA C9IA 28.4(5) 3_665 . ?
C9HA C8KA C1JA 157(3) 3_665 . ?
C6IA C8KA C1JA 54.3(8) 3_665 . ?
C0NA C8KA C1JA 91.7(7) 3_665 . ?
C9IA C8KA C1JA 119.3(7) . . ?
C9HA C8KA C2FA 45.5(15) 3_665 . ?
C6IA C8KA C2FA 66.6(9) 3_665 . ?
C0NA C8KA C2FA 134.6(9) 3_665 . ?
C9IA C8KA C2FA 109.1(7) . . ?
C1JA C8KA C2FA 119.3(10) . . ?
C0FA C4CA C9KA 55.4(15) 3_665 . ?
C5MA C4CA C9KA 148.5(13) 3_665 . ?
C1BA C4CA C9KA 32.5(6) 3_665 . ?
C0FA C4CA C7JA 61.7(15) 3_665 . ?
C5MA C4CA C7JA 32.1(6) 3_665 . ?
C1BA C4CA C7JA 148.6(12) 3_665 . ?
C9KA C4CA C7JA 117.0(10) . . ?
C0FA C4CA C6GA 161(2) 3_665 . ?
C5MA C4CA C6GA 88.1(8) 3_665 . ?
C1BA C4CA C6GA 87.3(8) 3_665 . ?
C9KA C4CA C6GA 118.6(7) . . ?
C7JA C4CA C6GA 118.8(7) . . ?
C8HA C3OA C6HA 151(2) 3_665 . ?
C2KA C3OA C6HA 55.7(7) 3_665 . ?
C3IA C3OA C6HA 92.1(7) 3_665 . ?
C8HA C3OA C4OA 70.2(14) 3_665 . ?
C2KA C3OA C4OA 156.0(13) 3_665 . ?
C3IA C3OA C4OA 28.4(5) 3_665 . ?
C6HA C3OA C4OA 119.1(7) . . ?
C8HA C3OA C2OA 39.2(13) 3_665 . ?
C2KA C3OA C2OA 65.4(7) 3_665 . ?
C3IA C3OA C2OA 134.8(9) 3_665 . ?
C6HA C3OA C2OA 119.5(7) . . ?
C4OA C3OA C2OA 108.5(7) . . ?
C1KA C6HA C3OA 153(3) 3_665 . ?
C2KA C6HA C3OA 52.3(6) 3_665 . ?
C1BA C6HA C3OA 89.1(7) 3_665 . ?
C1KA C6HA C9KA 71.1(17) 3_665 . ?
C2KA C6HA C9KA 156.0(13) 3_665 . ?
C1BA C6HA C9KA 31.1(6) 3_665 . ?
C3OA C6HA C9KA 119.0(7) . . ?
C1KA C6HA C1HA 39.4(16) 3_665 . ?
C2KA C6HA C1HA 68.8(6) 3_665 . ?
C1BA C6HA C1HA 137.2(10) 3_665 . ?
C3OA C6HA C1HA 119.6(7) . . ?
C9KA C6HA C1HA 108.9(7) . . ?
C1LA C4KA C2MA 65.5(15) 3_665 . ?
C7HA C4KA C2MA 150.6(15) 3_665 . ?
C4LA C4KA C2MA 18.9(6) 3_665 . ?
C1LA C4KA C9KA 161(2) 3_665 . ?
C7HA C4KA C9KA 89.3(11) 3_665 . ?
C4LA C4KA C9KA 89.4(7) 3_665 . ?
C2MA C4KA C9KA 107.8(7) . . ?
C1LA C4KA C7GA 61.4(14) 3_665 . ?
C7HA C4KA C7GA 29.4(7) 3_665 . ?
C4LA C4KA C7GA 142.6(12) 3_665 . ?
C2MA C4KA C7GA 125.2(12) . . ?
C9KA C4KA C7GA 117.9(11) . . ?
C1BA C9KA C4CA 63.5(13) 3_665 . ?
C0FA C9KA C4CA 30.4(7) 3_665 . ?
C1KA C9KA C4CA 139.5(9) 3_665 . ?
C1BA C9KA C6HA 60.4(13) 3_665 . ?
C0FA C9KA C6HA 150.6(12) 3_665 . ?
C1KA C9KA C6HA 19.0(5) 3_665 . ?
C4CA C9KA C6HA 122.6(7) . . ?
C1BA C9KA C4KA 157.8(18) 3_665 . ?
C0FA C9KA C4KA 91.8(11) 3_665 . ?
C1KA C9KA C4KA 88.5(7) 3_665 . ?
C4CA C9KA C4KA 120.7(11) . . ?
C6HA C9KA C4KA 107.2(7) . . ?
C4MA C1JA C8KA 155(4) 3_665 . ?
C6IA C1JA C8KA 52.4(8) 3_665 . ?
C5MA C1JA C8KA 90.3(7) 3_665 . ?
C4MA C1JA C7JA 65(2) 3_665 . ?
C6IA C1JA C7JA 155.7(14) 3_665 . ?
C5MA C1JA C7JA 30.4(6) 3_665 . ?
C8KA C1JA C7JA 119.6(7) . . ?
C4MA C1JA C6LA 45(2) 3_665 . ?
C6IA C1JA C6LA 67.8(9) 3_665 . ?
C5MA C1JA C6LA 137.5(9) 3_665 . ?
C8KA C1JA C6LA 119.1(11) . . ?
C7JA C1JA C6LA 109.6(7) . . ?
C5NA C0LA C1MA 58.3(10) 3_665 . ?
C5FA C0LA C1MA 27.3(5) 3_665 . ?
C6KA C0LA C1MA 138.5(8) 3_665 . ?
C5NA C0LA C3LA 66.9(10) 3_665 . ?
C5FA C0LA C3LA 147.4(9) 3_665 . ?
C6KA C0LA C3LA 16.4(6) 3_665 . ?
C1MA C0LA C3LA 123.0(7) . . ?
C5NA C0LA C9IA 162.5(15) 3_665 . ?
C5FA C0LA C9IA 93.6(7) 3_665 . ?
C6KA C0LA C9IA 91.7(7) 3_665 . ?
C1MA C0LA C9IA 119.9(7) . . ?
C3LA C0LA C9IA 107.5(6) . . ?
C5FA C1MA C0LA 65.0(13) 3_665 . ?
C5NA C1MA C0LA 35.2(6) 3_665 . ?
C4FA C1MA C0LA 152.2(8) 3_665 . ?
C5FA C1MA C5OA 55.4(13) 3_665 . ?
C5NA C1MA C5OA 154.6(9) 3_665 . ?
C4FA C1MA C5OA 32.5(6) 3_665 . ?
C0LA C1MA C5OA 120.3(7) . . ?
C5FA C1MA C4NA 158(2) 3_665 . ?
C5NA C1MA C4NA 84.6(7) 3_665 . ?
C4FA C1MA C4NA 84.8(8) 3_665 . ?
C0LA C1MA C4NA 117.9(7) . . ?
C5OA C1MA C4NA 115.5(9) . . ?
C8IA C9MA C0OA 163(2) 3_665 . ?
C5CA C9MA C0OA 58.2(9) 3_665 . ?
C0JA C9MA C0OA 94.3(11) 3_665 . ?
C8IA C9MA C6NA 44.4(14) 3_665 . ?
C5CA C9MA C6NA 64.4(10) 3_665 . ?
C0JA C9MA C6NA 135.1(10) 3_665 . ?
C0OA C9MA C6NA 120.0(11) . . ?
C8IA C9MA C3NA 67.5(17) 3_665 . ?
C5CA C9MA C3NA 160.7(13) 3_665 . ?
C0JA C9MA C3NA 28.9(7) 3_665 . ?
C0OA C9MA C3NA 121.2(11) . . ?
C6NA C9MA C3NA 107.2(7) . . ?
C4FA C5OA C1MA 62.1(12) 3_665 . ?
C5FA C5OA C1MA 25.9(6) 3_665 . ?
C9GA C5OA C1MA 141.2(10) 3_665 . ?
C4FA C5OA C0OA 65.6(12) 3_665 . ?
C5FA C5OA C0OA 149.5(12) 3_665 . ?
C9GA C5OA C0OA 16.6(6) 3_665 . ?
C1MA C5OA C0OA 125.8(10) . . ?
C4FA C5OA C4OA 163.6(17) 3_665 . ?
C5FA C5OA C4OA 93.5(7) 3_665 . ?
C9GA C5OA C4OA 91.3(7) 3_665 . ?
C1MA C5OA C4OA 118.5(7) . . ?
C0OA C5OA C4OA 107.6(7) . . ?
C8HA C2OA C8GA 136.1(10) 3_665 . ?
C9GA C2OA C8GA 132.4(13) 3_665 . ?
C8HA C2OA C3OA 17.6(6) 3_665 . ?
C9GA C2OA C3OA 93.6(8) 3_665 . ?
C8GA C2OA C3OA 120.8(7) . . ?
C2KA C2OA C3OA 48.7(6) 3_665 . ?
C8HA C2OA C0OA 90.0(8) 3_665 . ?
C9GA C2OA C0OA 14.2(8) 3_665 . ?
C8GA C2OA C0OA 119.3(11) . . ?
C2KA C2OA C0OA 148.2(10) 3_665 . ?
C3OA C2OA C0OA 107.2(7) . . ?
C8IA C6NA C7BA 140.8(13) 3_665 . ?
C7IA C6NA C7BA 136.9(12) 3_665 . ?
C8IA C6NA C7LA 90.6(8) 3_665 . ?
C7IA C6NA C7LA 17.7(6) 3_665 . ?
C7BA C6NA C7LA 119.3(11) . . ?
C5CA C6NA C7LA 150.9(9) 3_665 . ?
C8IA C6NA C9MA 20.0(7) 3_665 . ?
C7IA C6NA C9MA 93.5(8) 3_665 . ?
C7BA C6NA C9MA 121.1(11) . . ?
C5CA C6NA C9MA 46.9(7) 3_665 . ?
C7LA C6NA C9MA 108.6(7) . . ?
C3FA C1EA C7LA 69.4(15) 3_665 . ?
C7GA C1EA C7LA 150.1(12) 3_665 . ?
C7IA C1EA C7LA 18.7(6) 3_665 . ?
C3FA C1EA C3NA 165.1(19) 3_665 . ?
C7GA C1EA C3NA 92.3(11) 3_665 . ?
C7IA C1EA C3NA 91.4(7) 3_665 . ?
C7LA C1EA C3NA 108.0(7) . . ?
C3FA C1EA C7HA 56.8(14) 3_665 . ?
C7GA C1EA C7HA 28.9(7) 3_665 . ?
C7IA C1EA C7HA 140.8(10) 3_665 . ?
C7LA C1EA C7HA 122.3(10) . . ?
C3NA C1EA C7HA 118.4(10) . . ?
C5IA C4NA C1NA 61.6(12) 3_665 . ?
C7KA C4NA C1NA 27.8(6) 3_665 . ?
C0JA C4NA C1NA 146.0(10) 3_665 . ?
C5IA C4NA C3NA 55.4(12) 3_665 . ?
C7KA C4NA C3NA 143.9(12) 3_665 . ?
C0JA C4NA C3NA 29.6(6) 3_665 . ?
C1NA C4NA C3NA 116.6(9) . . ?
C5IA C4NA C1MA 159.6(16) 3_665 . ?
C7KA C4NA C1MA 92.6(8) 3_665 . ?
C0JA C4NA C1MA 90.2(9) 3_665 . ?
C1NA C4NA C1MA 118.8(7) . . ?
C3NA C4NA C1MA 117.6(9) . . ?
C0JA C3NA C4NA 63.1(14) 3_665 . ?
C5IA C3NA C4NA 32.4(7) 3_665 . ?
C8IA C3NA C4NA 143.5(11) 3_665 . ?
C0JA C3NA C1EA 164.7(19) 3_665 . ?
C5IA C3NA C1EA 90.6(10) 3_665 . ?
C8IA C3NA C1EA 86.8(7) 3_665 . ?
C4NA C3NA C1EA 121.5(10) . . ?
C0JA C3NA C9MA 61.8(15) 3_665 . ?
C5IA C3NA C9MA 151.9(12) 3_665 . ?
C8IA C3NA C9MA 22.1(6) 3_665 . ?
C4NA C3NA C9MA 122.1(10) . . ?
C1EA C3NA C9MA 107.8(7) . . ?
C7IA C7LA C4MA 172(3) 3_665 . ?
C6LA C7LA C4MA 54.2(9) 3_665 . ?
C3FA C7LA C4MA 88.5(10) 3_665 . ?
C7IA C7LA C6NA 52(2) 3_665 . ?
C6LA C7LA C6NA 72.9(10) 3_665 . ?
C3FA C7LA C6NA 136.9(9) 3_665 . ?
C4MA C7LA C6NA 123.3(11) . . ?
C7IA C7LA C1EA 64(2) 3_665 . ?
C6LA C7LA C1EA 163.1(13) 3_665 . ?
C3FA C7LA C1EA 29.8(6) 3_665 . ?
C4MA C7LA C1EA 116.6(11) . . ?
C6NA C7LA C1EA 108.4(7) . . ?
C3IA C4OA C6GA 62.6(13) 3_665 . ?
C0IA C4OA C6GA 33.5(6) 3_665 . ?
C8HA C4OA C6GA 141.4(8) 3_665 . ?
C3IA C4OA C3OA 61.6(12) 3_665 . ?
C0IA C4OA C3OA 153.6(10) 3_665 . ?
C8HA C4OA C3OA 21.4(5) 3_665 . ?
C6GA C4OA C3OA 122.7(7) . . ?
C3IA C4OA C5OA 159.8(18) 3_665 . ?
C0IA C4OA C5OA 88.3(7) 3_665 . ?
C8HA C4OA C5OA 86.9(6) 3_665 . ?
C6GA C4OA C5OA 120.1(7) . . ?
C3OA C4OA C5OA 108.0(6) . . ?
C7KA C1NA C4NA 56.4(14) 3_665 . ?
C5IA C1NA C4NA 33.2(6) 3_665 . ?
C9LA C1NA C4NA 142.3(9) 3_665 . ?
C7KA C1NA C1LA 163(2) 3_665 . ?
C5IA C1NA C1LA 90.8(8) 3_665 . ?
C9LA C1NA C1LA 86.0(7) 3_665 . ?
C4NA C1NA C1LA 122.6(9) . . ?
C7KA C1NA C2LA 66.5(14) 3_665 . ?
C5IA C1NA C2LA 151.7(10) 3_665 . ?
C9LA C1NA C2LA 22.3(6) 3_665 . ?
C4NA C1NA C2LA 121.2(7) . . ?
C1LA C1NA C2LA 107.5(6) . . ?
C3KA C7BA C6NA 103.0(17) 3_665 . ?
C4JA C7BA C6NA 102.2(17) 3_665 . ?
C3KA C7BA C8GA 20.6(13) 3_665 . ?
C4JA C7BA C8GA 131.4(15) 3_665 . ?
C6NA C7BA C8GA 118.6(12) . . ?
C3KA C7BA C5KA 129.2(16) 3_665 . ?
C4JA C7BA C5KA 22.8(12) 3_665 . ?
C6NA C7BA C5KA 119.8(12) . . ?
C8GA C7BA C5KA 108.7(7) . . ?
C2IA C8GA C2OA 108.1(14) 3_665 . ?
C3KA C8GA C2OA 106.7(14) 3_665 . ?
C2IA C8GA C7BA 123.5(15) 3_665 . ?
C3KA C8GA C7BA 17.9(11) 3_665 . ?
C2OA C8GA C7BA 120.4(11) . . ?
C2IA C8GA C2JA 16.4(13) 3_665 . ?
C3KA C8GA C2JA 125.2(13) 3_665 . ?
C2OA C8GA C2JA 119.5(7) . . ?
C7BA C8GA C2JA 107.4(7) . . ?
C1IA C2JA C1HA 110.4(13) 3_665 . ?
C2IA C2JA C1HA 109.4(12) 3_665 . ?
C1IA C2JA C7MA 14.9(12) 3_665 . ?
C2IA C2JA C7MA 122.2(13) 3_665 . ?
C1HA C2JA C7MA 120.6(7) . . ?
C1IA C2JA C8GA 122.4(13) 3_665 . ?
C2IA C2JA C8GA 14.6(12) 3_665 . ?
C1HA C2JA C8GA 119.7(7) . . ?
C7MA C2JA C8GA 107.9(7) . . ?
C4LA C2MA C9LA 158(3) 3_665 . ?
C2NA C2MA C9LA 53.0(7) 3_665 . ?
C1LA C2MA C9LA 89.3(10) 3_665 . ?
C4LA C2MA C4KA 67.8(18) 3_665 . ?
C2NA C2MA C4KA 157.8(16) 3_665 . ?
C1LA C2MA C4KA 29.8(6) 3_665 . ?
C9LA C2MA C4KA 117.7(12) . . ?
C4LA C2MA C1HA 43.2(17) 3_665 . ?
C2NA C2MA C1HA 70.1(7) 3_665 . ?
C1LA C2MA C1HA 136.4(9) 3_665 . ?
C9LA C2MA C1HA 120.9(7) . . ?
C4KA C2MA C1HA 108.7(7) . . ?
C2LA C6MA C7MA 139.4(9) 3_665 . ?
C3LA C6MA C7MA 134.2(9) 3_665 . ?
C2LA C6MA C9LA 20.5(7) 3_665 . ?
C3LA C6MA C9LA 95.1(8) 3_665 . ?
C7MA C6MA C9LA 119.6(7) . . ?
C2LA C6MA C6KA 89.3(8) 3_665 . ?
C3LA C6MA C6KA 14.2(7) 3_665 . ?
C7MA C6MA C6KA 120.3(7) . . ?
C9LA C6MA C6KA 107.9(7) . . ?
C1IA C7MA C6MA 108.1(14) 3_665 . ?
C4IA C7MA C6MA 106.0(13) 3_665 . ?
C1IA C7MA C2JA 16.3(12) 3_665 . ?
C4IA C7MA C2JA 127.4(13) 3_665 . ?
C6MA C7MA C2JA 119.4(7) . . ?
C1IA C7MA C5KA 124.9(14) 3_665 . ?
C4IA C7MA C5KA 18.6(11) 3_665 . ?
C6MA C7MA C5KA 119.8(7) . . ?
C2JA C7MA C5KA 109.0(7) . . ?
C4IA C5KA C6IA 105.2(15) 3_665 . ?
C4JA C5KA C6IA 101.9(17) 3_665 . ?
C4IA C5KA C7MA 20.4(13) 3_665 . ?
C4JA C5KA C7MA 130.0(15) 3_665 . ?
C6IA C5KA C7MA 120.1(7) . . ?
C4IA C5KA C7BA 127.2(15) 3_665 . ?
C4JA C5KA C7BA 23.1(13) 3_665 . ?
C6IA C5KA C7BA 119.9(11) . . ?
C7MA C5KA C7BA 107.0(7) . . ?
C2LA C9LA C2MA 162(2) 3_665 . ?
C2NA C9LA C2MA 55.6(7) 3_665 . ?
C1NA C9LA C2MA 94.5(10) 3_665 . ?
C2LA C9LA C6MA 44.0(13) 3_665 . ?
C2NA C9LA C6MA 67.0(7) 3_665 . ?
C1NA C9LA C6MA 133.7(9) 3_665 . ?
C2MA C9LA C6MA 120.5(7) . . ?
C2LA C9LA C7KA 68.4(14) 3_665 . ?
C2NA C9LA C7KA 160.2(14) 3_665 . ?
C1NA C9LA C7KA 26.8(6) 3_665 . ?
C2MA C9LA C7KA 120.1(11) . . ?
C6MA C9LA C7KA 108.4(7) . . ?
C1KA C1HA C2JA 134.7(10) 3_665 . ?
C4LA C1HA C2JA 134.1(10) 3_665 . ?
C1KA C1HA C2MA 92.6(8) 3_665 . ?
C4LA C1HA C2MA 16.2(7) 3_665 . ?
C2JA C1HA C2MA 119.0(7) . . ?
C1KA C1HA C6HA 15.3(6) 3_665 . ?
C4LA C1HA C6HA 91.9(8) 3_665 . ?
C2JA C1HA C6HA 120.9(7) . . ?
C2MA C1HA C6HA 107.3(7) . . ?
C5AA C5HA C3CA 121.3(9) . . ?
C5AA C5HA C5JA 108.9(15) . . ?
C3CA C5HA C5JA 118.9(9) . . ?
C3CA C3AA C0MA 118.8(8) . . ?
C3CA C3AA C9AA 121.9(9) . . ?
C0MA C3AA C9AA 107.7(7) . . ?
C5LA C4AA C6JA 118.8(19) . . ?
C5LA C4AA C9AA 108.5(7) . . ?
C6JA C4AA C9AA 121.0(8) . . ?
C9GA C0OA C9MA 158(4) 3_665 . ?
C5CA C0OA C9MA 51.3(9) 3_665 . ?
C4FA C0OA C9MA 87.4(10) 3_665 . ?
C9GA C0OA C5OA 66(2) 3_665 . ?
C5CA C0OA C5OA 157.3(17) 3_665 . ?
C4FA C0OA C5OA 32.1(6) 3_665 . ?
C9MA C0OA C5OA 117.6(12) . . ?
C9GA C0OA C2OA 45(2) 3_665 . ?
C5CA C0OA C2OA 71.7(9) 3_665 . ?
C4FA C0OA C2OA 138.8(10) 3_665 . ?
C9MA C0OA C2OA 120.6(13) . . ?
C5OA C0OA C2OA 108.7(7) . . ?
C2 C1 C4 114.0(15) . . ?
C2 C1 C3 121.4(8) . . ?
C4 C1 C3 115.2(16) . . ?
C8NA C6OA C2 119.2(8) . . ?
C8NA C6OA C9NA 118.9(8) . . ?
C2 C6OA C9NA 111.0(15) . . ?
C1 C2 C6OA 119.3(8) . . ?
C1 C2 C2UA 119.4(18) . . ?
C6OA C2 C2UA 106.6(18) . . ?
C3PA C7OA C5PA 119.3(9) . . ?
C3PA C7OA C4PA 119.8(18) . . ?
C5PA C7OA C4PA 107.6(16) . . ?
C0PA C9NA C3UA 117.9(10) . . ?
C0PA C9NA C6OA 120.6(9) . . ?
C3UA C9NA C6OA 102.6(15) . . ?
C3QA C4PA C7OA 120.6(18) . . ?
C3QA C4PA C0PA 119.3(9) . . ?
C7OA C4PA C0PA 104.9(17) . . ?
C9NA C0PA C2PA 121.1(9) . . ?
C9NA C0PA C4PA 119.9(9) . . ?
C2PA C0PA C4PA 110.2(17) . . ?
C3 C7QA C8NA 121.0(7) . . ?
C3 C7QA C2QA 123.0(8) . . ?
C8NA C7QA C2QA 109.5(7) . . ?
C0PA C2PA C5TA 120.1(9) . . ?
C0PA C2PA C5PA 109.2(18) . . ?
C5TA C2PA C5PA 120.3(9) . . ?
C6PA C5PA C2PA 119.4(9) . . ?
C6PA C5PA C7OA 119.9(9) . . ?
C2PA C5PA C7OA 108.1(17) . . ?
C4PA C3QA C8NA 121.0(9) . . ?
C4PA C3QA C9QA 121.9(15) . . ?
C8NA C3QA C9QA 107.8(7) . . ?
C6OA C8NA C7QA 119.4(8) . . ?
C6OA C8NA C3QA 119.9(8) . . ?
C7QA C8NA C3QA 107.1(7) . . ?
C3SA C3PA C7OA 121.2(17) . . ?
C3SA C3PA C9OA 108.8(8) . . ?
C7OA C3PA C9OA 120.9(9) . . ?
C5PA C6PA C0SA 120.2(8) . . ?
C5PA C6PA C8OA 120.8(8) . . ?
C0SA C6PA C8OA 107.7(7) . . ?
C3PA C9OA C1RA 107.1(8) . . ?
C3PA C9OA C8OA 119.8(8) . . ?
C1RA C9OA C8OA 118.9(8) . . ?
C6PA C8OA C8PA 108.0(7) . . ?
C6PA C8OA C9OA 119.2(7) . . ?
C8PA C8OA C9OA 120.2(8) . . ?
C3PA C3SA C2SA 107.1(7) . . ?
C3PA C3SA C9QA 120.7(16) . . ?
C2SA C3SA C9QA 119.4(7) . . ?
C2QA C9QA C3QA 108.2(7) . . ?
C2QA C9QA C3SA 118.6(7) . . ?
C3QA C9QA C3SA 115.5(16) . . ?
C1UA C3UA C9NA 119.8(9) . . ?
C1UA C3UA C2UA 120.0(9) . . ?
C9NA C3UA C2UA 116.0(15) . . ?
C2PA C5TA C1UA 118.7(9) . . ?
C2PA C5TA C7EA 120.9(9) . . ?
C1UA C5TA C7EA 108.2(8) . . ?
C3UA C1UA C5TA 121.1(9) . . ?
C3UA C1UA C4UA 121.3(9) . . ?
C5TA C1UA C4UA 108.3(7) . . ?
C8PA C0QA C6RA 117.3(7) . . ?
C8PA C0QA C8QA 118.6(8) . . ?
C6RA C0QA C8QA 119.8(7) . . ?
C1RA C8QA C1OA 114.9(7) . . ?
C1RA C8QA C0QA 116.1(7) . . ?
C1OA C8QA C0QA 114.8(7) . . ?
C2SA C1RA C8QA 123.3(7) . . ?
C2SA C1RA C9OA 107.4(6) . . ?
C8QA C1RA C9OA 123.6(7) . . ?
C0QA C8PA C9RA 121.5(9) . . ?
C0QA C8PA C8OA 121.4(8) . . ?
C9RA C8PA C8OA 108.3(7) . . ?
C9QA C2QA C7QA 107.2(7) . . ?
C9QA C2QA C7SA 121.7(8) . . ?
C7QA C2QA C7SA 118.1(8) . . ?
C1 C3 C7QA 119.3(8) . . ?
C1 C3 C5QA 114.4(12) . . ?
C7QA C3 C5QA 117.3(7) . . ?
C7TA C5QA C4RA 107.5(8) . . ?
C7TA C5QA C3 127.6(13) . . ?
C4RA C5QA C3 118.9(8) . . ?
C7SA C4RA C7RA 121.2(6) . . ?
C7SA C4RA C5QA 121.5(9) . . ?
C7RA C4RA C5QA 107.2(7) . . ?
C1RA C2SA C3SA 109.3(7) . . ?
C1RA C2SA C6SA 121.3(7) . . ?
C3SA C2SA C6SA 123.8(7) . . ?
C4RA C7SA C2QA 118.6(7) . . ?
C4RA C7SA C6SA 119.2(7) . . ?
C2QA C7SA C6SA 118.5(6) . . ?
C2SA C6SA C5SA 114.0(7) . . ?
C2SA C6SA C7SA 116.3(7) . . ?
C5SA C6SA C7SA 113.7(6) . . ?
C8PA C9RA C0SA 107.5(8) . . ?
C8PA C9RA C9PA 118.8(9) . . ?
C0SA C9RA C9PA 120.1(9) . . ?
C7EA C0SA C6PA 119.7(8) . . ?
C7EA C0SA C9RA 120.6(8) . . ?
C6PA C0SA C9RA 108.4(8) . . ?
C5TA C7EA C0SA 119.4(8) . . ?
C5TA C7EA C1SA 107.5(7) . . ?
C0SA C7EA C1SA 120.7(8) . . ?
C2RA C9PA C9RA 118.2(7) . . ?
C2RA C9PA C4SA 119.1(8) . . ?
C9RA C9PA C4SA 118.1(8) . . ?
C9PA C2RA C2TA 120.7(7) . . ?
C9PA C2RA C6RA 120.4(8) . . ?
C2TA C2RA C6RA 110.5(12) . . ?
C2RA C6RA C0QA 117.8(9) . . ?
C2RA C6RA C7NA 99.8(18) . . ?
C0QA C6RA C7NA 120.4(9) . . ?
C5SA C1OA C5RA 112.5(13) . . ?
C5SA C1OA C8QA 122.1(9) . . ?
C5RA C1OA C8QA 121.9(9) . . ?
C1OA C5SA C0RA 109.0(13) . . ?
C1OA C5SA C6SA 124.4(9) . . ?
C0RA C5SA C6SA 122.2(8) . . ?
C1SA C4SA C4QA 117.4(7) . . ?
C1SA C4SA C9PA 119.9(8) . . ?
C4QA C4SA C9PA 119.6(7) . . ?
C4UA C1SA C4SA 118.7(10) . . ?
C4UA C1SA C7EA 107.7(7) . . ?
C4SA C1SA C7EA 120.5(9) . . ?
C7NA C3TA C2TA 106.6(16) . . ?
C7NA C3TA C1PA 121.4(9) . . ?
C2TA C3TA C1PA 120.6(8) . . ?
C6QA C4QA C4SA 120.0(10) . . ?
C6QA C4QA C0TA 108.3(7) . . ?
C4SA C4QA C0TA 119.8(8) . . ?
C2TA C0TA C3RA 119.4(8) . . ?
C2TA C0TA C4QA 120.8(8) . . ?
C3RA C0TA C4QA 107.8(7) . . ?
C3TA C2TA C0TA 120.0(8) . . ?
C3TA C2TA C2RA 108.4(13) . . ?
C0TA C2TA C2RA 120.0(7) . . ?
C5SA C0RA C8RA 105.9(16) . . ?
C5SA C0RA C7RA 121.3(8) . . ?
C8RA C0RA C7RA 120.9(7) . . ?
C8RA C5RA C1OA 102(2) . . ?
C8RA C5RA C7NA 120.1(9) . . ?
C1OA C5RA C7NA 120.0(10) . . ?
C3TA C7NA C5RA 118.0(9) . . ?
C3TA C7NA C6RA 114.1(17) . . ?
C5RA C7NA C6RA 119.4(8) . . ?
C5UA C7RA C4RA 108.7(7) . . ?
C5UA C7RA C0RA 120.2(7) . . ?
C4RA C7RA C0RA 120.1(7) . . ?
C7RA C5UA C7TA 107.7(7) . . ?
C7RA C5UA C9TA 119.5(7) . . ?
C7TA C5UA C9TA 115.4(19) . . ?
C6TA C9TA C9SA 108.3(7) . . ?
C6TA C9TA C5UA 115.2(16) . . ?
C9SA C9TA C5UA 120.7(7) . . ?
C1PA C9SA C9TA 108.1(7) . . ?
C1PA C9SA C8RA 118.5(9) . . ?
C9TA C9SA C8RA 119.3(7) . . ?
C5RA C8RA C0RA 110.7(18) . . ?
C5RA C8RA C9SA 121.0(9) . . ?
C0RA C8RA C9SA 119.4(7) . . ?
C3RA C8SA C1PA 120.2(8) . . ?
C3RA C8SA C6TA 120.7(8) . . ?
C1PA C8SA C6TA 107.7(8) . . ?
C4QA C6QA C8TA 108.2(8) . . ?
C4QA C6QA C0UA 118.8(9) . . ?
C8TA C6QA C0UA 119.9(9) . . ?
C4UA C0UA C6QA 118.2(7) . . ?
C4UA C0UA C1TA 118.9(8) . . ?
C6QA C0UA C1TA 119.1(8) . . ?
C3TA C1PA C9SA 120.4(8) . . ?
C3TA C1PA C8SA 119.3(8) . . ?
C9SA C1PA C8SA 107.9(7) . . ?
C9TA C6TA C4TA 120.2(16) . . ?
C9TA C6TA C8SA 107.9(7) . . ?
C4TA C6TA C8SA 120.7(8) . . ?
C8SA C3RA C0TA 120.4(8) . . ?
C8SA C3RA C8TA 120.1(8) . . ?
C0TA C3RA C8TA 108.2(7) . . ?
C0UA C4UA C1SA 121.7(9) . . ?
C0UA C4UA C1UA 119.9(8) . . ?
C1SA C4UA C1UA 108.2(7) . . ?
C1 C4 C5 122(2) . . ?
C1 C4 C1QA 123.8(16) . . ?
C5 C4 C1QA 107.2(7) . . ?
C5 C7TA C5UA 137(2) . . ?
C5 C7TA C5QA 112(2) . . ?
C5UA C7TA C5QA 108.0(8) . . ?
C2UA C1TA C1QA 113.3(14) . . ?
C2UA C1TA C0UA 119.9(9) . . ?
C1QA C1TA C0UA 120.6(8) . . ?
C1TA C2UA C3UA 119.6(9) . . ?
C1TA C2UA C2 125.3(18) . . ?
C3UA C2UA C2 103.1(17) . . ?
C1TA C1QA C7PA 118.8(8) . . ?
C1TA C1QA C4 120.5(16) . . ?
C7PA C1QA C4 107.7(7) . . ?
C6TA C4TA C7PA 118.1(8) . . ?
C6TA C4TA C5 124(2) . . ?
C7PA C4TA C5 107.3(7) . . ?
C8TA C7PA C4TA 119.8(7) . . ?
C8TA C7PA C1QA 120.1(7) . . ?
C4TA C7PA C1QA 109.3(7) . . ?
C7PA C8TA C3RA 120.5(8) . . ?
C7PA C8TA C6QA 121.3(8) . . ?
C3RA C8TA C6QA 107.5(7) . . ?
C7TA C5 C4TA 107(3) . . ?
C7TA C5 C4 127(3) . . ?
C4TA C5 C4 108.6(8) . . ?
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
C004 C006 1.389(7) . ?
C004 C009 1.406(6) . ?
C005 C00B 1.406(6) . ?
C005 C00H 1.418(6) . ?
C005 C009 1.489(6) . ?
C006 C00X 1.391(7) . ?
C007 C01K 1.393(6) . ?
C007 C015 1.402(6) . ?
C007 C00Y 1.496(6) . ?
C008 C00T 1.375(6) . ?
C008 C00O 1.402(6) . ?
C009 C00I 1.388(7) . ?
C00A C00R 1.398(6) . ?
C00A C00P 1.411(7) . ?
C00A C00H 1.465(6) . ?
C00B C00Y 1.414(6) . ?
C00B C00K 1.505(6) . ?
C00C C01J 1.387(6) . ?
C00C C00S 1.393(6) . ?
C00E C01T 1.388(7) . ?
C00E C016 1.392(7) . ?
C00F C01P 1.389(7) . ?
C00F C01C 1.404(7) . ?
C00F C00W 1.481(7) . ?
C00G C00H 1.417(6) . ?
C00G C00J 1.428(6) . ?
C00G C00L 1.467(6) . ?
C00I C00M 1.382(7) . ?
C00J C00Y 1.405(6) . ?
C00J C00O 1.493(6) . ?
C00K C012 1.369(6) . ?
C00K C013 1.388(6) . ?
C00L C00N 1.392(7) . ?
C00L C014 1.400(6) . ?
C00M C00X 1.412(6) . ?
C00N C01N 1.385(7) . ?
C00O C01J 1.398(6) . ?
C00P C02E 1.412(7) . ?
C00P C014 1.454(7) . ?
C00Q C01B 1.402(7) . ?
C00Q C026 1.408(7) . ?
C00Q C016 1.497(7) . ?
C00R C025 1.398(6) . ?
C00S C00T 1.408(6) . ?
C00S C01X 1.484(6) . ?
C00U C01E 1.377(7) . ?
C00U C00W 1.393(7) . ?
C00V C01T 1.393(7) . ?
C00V C022 1.399(7) . ?
C00V C00Z 1.491(7) . ?
C00W C021 1.404(7) . ?
C00X C01M 1.466(7) . ?
C00Z C017 1.401(7) . ?
C00Z C020 1.402(7) . ?
C010 C01Q 1.396(7) . ?
C010 C01F 1.397(7) . ?
C010 C02C 1.539(6) . ?
C011 C01I 1.390(7) . ?
C011 C02I 1.403(7) . ?
C011 C01W 1.501(7) . ?
C012 C029 1.396(7) . ?
C013 C01L 1.383(7) . ?
C014 C02F 1.414(7) . ?
C015 C01F 1.369(7) . ?
C016 C02G 1.389(7) . ?
C017 C01A 1.371(8) . ?
C018 C02O 1.379(8) . ?
C018 C02N 1.399(7) . ?
C018 C028 1.473(8) . ?
C019 C021 1.381(7) . ?
C019 C01Y 1.401(7) . ?
C01A C01S 1.402(7) . ?
C01B C01O 1.371(8) . ?
C01C C02A 1.392(7) . ?
C01D C023 1.387(7) . ?
C01D C01M 1.416(7) . ?
C01E C01Y 1.414(7) . ?
C01H C029 1.392(7) . ?
C01H C01L 1.397(7) . ?
C01H C027 1.541(7) . ?
C01I C01R 1.390(7) . ?
C01K C01Q 1.383(6) . ?
C01M C02R 1.388(7) . ?
C01N C02J 1.416(8) . ?
C01N C030 1.486(8) . ?
C01O C01W 1.400(7) . ?
C01P C01Z 1.388(7) . ?
C01R C01U 1.393(7) . ?
C01S C02L 1.397(7) . ?
C01S C01Y 1.473(7) . ?
C01U C02H 1.408(7) . ?
C01U C01V 1.490(7) . ?
C01V C023 1.390(7) . ?
C01V C02U 1.398(7) . ?
C01W C024 1.409(7) . ?
C01X C02A 1.375(7) . ?
C01X C01Z 1.402(7) . ?
C020 C02L 1.373(7) . ?
C022 C02G 1.384(8) . ?
C024 C026 1.374(8) . ?
C025 C02B 1.417(7) . ?
C025 C02D 1.479(6) . ?
C027 C03A 1.514(8) . ?
C027 C03J 1.530(8) . ?
C027 C034 1.540(8) . ?
C028 C03H 1.393(9) . ?
C028 C02S 1.414(8) . ?
C02B C02E 1.374(8) . ?
C02C C04I 1.505(10) . ?
C02C C04B 1.512(9) . ?
C02C C04Q 1.553(9) . ?
C02D C02X 1.389(7) . ?
C02D C02M 1.414(8) . ?
C02F C02J 1.362(8) . ?
C02H C02I 1.376(8) . ?
C02K C02Q 1.370(8) . ?
C02K C02P 1.415(7) . ?
C02K C031 1.475(8) . ?
C02M C02V 1.392(7) . ?
C02N C02Q 1.388(8) . ?
C02O C02P 1.374(8) . ?
C02R C02U 1.373(8) . ?
C02S C02W 1.382(9) . ?
C02T C02X 1.382(7) . ?
C02T C037 1.393(8) . ?
C02V C037 1.380(8) . ?
C02W C033 1.390(8) . ?
C02Y C036 1.391(10) . ?
C02Y C03M 1.402(8) . ?
C02Y C03D 1.492(11) . ?
C02Z C03E 1.403(9) . ?
C02Z C03F 1.404(8) . ?
C02Z C039 1.480(10) . ?
C030 C03T 1.383(8) . ?
C030 C03K 1.399(9) . ?
C031 C03L 1.390(9) . ?
C031 C03N 1.402(8) . ?
C032 C038 1.382(9) . ?
C032 C035 1.391(8) . ?
C033 C03R 1.389(10) . ?
C033 C03I 1.489(10) . ?
C035 C03G 1.395(8) . ?
C035 C037 1.481(7) . ?
C036 C03F 1.388(11) . ?
C038 C039 1.394(8) . ?
C039 C03B 1.408(9) . ?
C03B C03G 1.370(10) . ?
C03D C03O 1.376(9) . ?
C03D C03P 1.422(11) . ?
C03E C03M 1.377(10) . ?
C03H C03R 1.384(10) . ?
C03I C03V 1.393(9) . ?
C03I C03S 1.412(10) . ?
C03K C03N 1.388(8) . ?
C03L C03T 1.388(9) . ?
C03O C03S 1.351(11) . ?
C03P C03V 1.329(11) . ?
C03Y C040 1.349(12) . ?
C03Y C05O 1.430(11) . ?
C03Y C063 1.451(10) . ?
C03Z C04N 1.393(10) . ?
C03Z C05Y 1.414(10) . ?
C03Z C04A 1.416(10) . ?
C040 C05C 1.419(11) . ?
C040 C04N 1.462(10) . ?
C041 C05D 1.372(10) . ?
C041 C058 1.428(11) . ?
C041 C04J 1.441(10) . ?
C044 C05J 1.366(10) . ?
C044 C04T 1.454(10) . ?
C044 C04H 1.467(10) . ?
C047 C04U 1.383(9) . ?
C047 C052 1.419(9) . ?
C047 C04T 1.474(10) . ?
C04A C05A 1.377(11) . ?
C04A C04D 1.449(11) . ?
C04D C05T 1.362(11) . ?
C04D C04Y 1.442(11) . ?
C04G C05B 1.412(10) . ?
C04G C04U 1.422(9) . ?
C04G C04V 1.446(10) . ?
C04H C05M 1.351(10) . ?
C04H C052 1.458(11) . ?
C04J C055 1.419(9) . ?
C04J C05H 1.435(10) . ?
C04K C059 1.393(11) . ?
C04K C06H 1.406(11) . ?
C04K C05C 1.446(10) . ?
C04L C05I 1.404(11) . ?
C04L C05D 1.412(11) . ?
C04L C05W 1.435(12) . ?
C04N C053 1.416(10) . ?
C04O C05J 1.394(11) . ?
C04O C05E 1.453(12) . ?
C04O C056 1.495(11) . ?
C04R C05B 1.381(12) . ?
C04R C05W 1.414(11) . ?
C04R C05N 1.451(11) . ?
C04T C05P 1.392(9) . ?
C04U C055 1.457(9) . ?
C04V C05P 1.423(11) . ?
C04V C051 1.467(10) . ?
C04Y C056 1.375(11) . ?
C04Y C05Y 1.471(11) . ?
C051 C06O 1.384(11) . ?
C051 C067 1.444(12) . ?
C052 C05H 1.386(10) . ?
C053 C06L 1.413(11) . ?
C053 C062 1.477(11) . ?
C055 C05W 1.405(10) . ?
C056 C06M 1.416(10) . ?
C058 C06H 1.378(11) . ?
C058 C05Q 1.452(11) . ?
C059 C063 1.371(11) . ?
C059 C05D 1.520(11) . ?
C05A C05C 1.417(11) . ?
C05A C06E 1.456(11) . ?
C05B C067 1.439(11) . ?
C05E C05T 1.439(11) . ?
C05E C05M 1.455(11) . ?
C05H C05Q 1.421(10) . ?
C05I C061 1.342(11) . ?
C05I C05N 1.435(12) . ?
C05J C06Y 1.442(12) . ?
C05K C05Q 1.394(11) . ?
C05K C06K 1.425(10) . ?
C05K C05M 1.461(11) . ?
C05L C06J 1.362(12) . ?
C05L C06G 1.435(11) . ?
C05L C060 1.497(11) . ?
C05N C068 1.390(11) . ?
C05O C06L 1.406(11) . ?
C05O C06I 1.431(11) . ?
C05P C076 1.460(11) . ?
C05T C06K 1.440(11) . ?
C05X C06D 1.378(11) . ?
C05X C064 1.422(11) . ?
C05X C062 1.481(11) . ?
C05Y C06C 1.425(10) . ?
C060 C064 1.342(11) . ?
C060 C06Z 1.428(12) . ?
C061 C06I 1.446(10) . ?
C061 C063 1.477(11) . ?
C062 C06C 1.395(11) . ?
C064 C06L 1.451(12) . ?
C065 C066 1.399(11) . ?
C065 C06M 1.434(11) . ?
C065 C06C 1.500(12) . ?
C066 C06D 1.457(12) . ?
C066 C06X 1.501(12) . ?
C067 C06G 1.353(12) . ?
C068 C06Z 1.406(12) . ?
C068 C06G 1.481(12) . ?
C2CA C7CA 1.388(17) . ?
C2CA C08I 1.41(2) . ?
C2CA C0EA 1.411(19) . ?
C06D C06J 1.420(11) . ?
C06E C06K 1.364(12) . ?
C06E C06H 1.464(12) . ?
C06I C06Z 1.415(12) . ?
C06J C06O 1.479(12) . ?
C06M C06Y 1.456(12) . ?
C06O C06X 1.407(12) . ?
C06V C5EA 1.33(3) . ?
C06V C3BA 1.38(2) . ?
C06V C07G 1.44(3) . ?
C06X C076 1.432(12) . ?
C06Y C076 1.442(12) . ?
C073 C1AA 1.44(3) . ?
C073 C0BA 1.48(3) . ?
C073 C9CA 1.54(3) . ?
C3MA C0EA 1.418(18) . ?
C3MA C3JA 1.436(17) . ?
C3MA C8JA 1.462(16) . ?
C0CA C1CA 1.256(19) . ?
C0CA C6CA 1.45(2) . ?
C0CA C0EA 1.490(18) . ?
C8LA C1AA 1.449(17) . ?
C8LA C6JA 1.458(16) . ?
C8LA C6AA 1.50(2) . ?
C8BA C0DA 1.42(2) . ?
C8BA C1AA 1.437(16) . ?
C8BA C9BA 1.449(15) . ?
C6JA C4AA 1.45(2) . ?
C6JA C9BA 1.457(16) . ?
C8FA C0BA 1.44(2) . ?
C8FA C7FA 1.45(2) . ?
C8FA C07G 1.46(3) . ?
C07G C8CA 1.17(3) . ?
C2EA C4GA 1.468(16) . ?
C2EA C9CA 1.473(17) . ?
C2EA C6AA 1.55(3) . ?
C4DA C8EA 1.284(19) . ?
C4DA C8CA 1.473(16) . ?
C4DA C4GA 1.484(15) . ?
C9CA C8CA 1.455(16) . ?
C2BA C1CA 1.414(15) . ?
C2BA C7AA 1.441(14) . ?
C2BA C08I 1.70(2) . ?
C5EA C4EA 1.381(15) . ?
C5EA C8EA 1.408(15) . ?
C3JA C6CA 1.419(17) . ?
C3JA C5AA 1.435(18) . ?
C0BA C5DA 1.38(2) . ?
C7CA C2AA 1.378(13) . ?
C7CA C9JA 1.409(13) . ?
C4GA C8AA 1.28(2) . ?
C9JA C8JA 1.389(16) . ?
C9JA C0KA 1.444(13) . ?
C6AA C8MA 1.52(2) . ?
C3BA C7FA 1.355(18) . ?
C3BA C4BA 1.454(19) . ?
C2AA C7DA 1.338(19) . ?
C2AA C9DA 1.386(13) . ?
C1FA C8DA 1.362(18) . ?
C1FA C8EA 1.403(14) . ?
C1FA C3EA 1.431(14) . ?
C7DA C1DA 1.389(15) . ?
C7DA C6DA 1.422(14) . ?
C8DA C5AA 1.434(19) . ?
C8DA C8AA 1.49(2) . ?
C1DA C08I 1.34(2) . ?
C1DA C3DA 1.428(15) . ?
C5BA C6DA 1.29(2) . ?
C5BA C2GA 1.432(15) . ?
C5BA C6EA 1.434(14) . ?
C7AA C6BA 1.393(19) . ?
C7AA C4BA 1.434(14) . ?
C4BA C0AA 1.439(14) . ?
C6DA C2DA 1.442(15) . ?
C0DA C5DA 1.441(15) . ?
C0DA C1GA 1.452(14) . ?
C1GA C2GA 1.39(2) . ?
C1GA C0GA 1.455(15) . ?
C5DA C9EA 1.462(14) . ?
C8AA C5JA 1.52(3) . ?
C7FA C6FA 1.482(17) . ?
C3DA C2DA 1.423(14) . ?
C3DA C6BA 1.447(19) . ?
C0AA C4EA 1.298(19) . ?
C0AA C1CA 1.452(13) . ?
C4EA C3EA 1.418(14) . ?
C6EA C9DA 1.324(17) . ?
C6EA C0HA 1.422(14) . ?
C5AA C5HA 1.39(2) . ?
C2GA C3GA 1.443(14) . ?
C8JA C3CA 1.498(17) . ?
C6CA C3EA 1.351(17) . ?
C9EA C6FA 1.412(17) . ?
C9EA C0GA 1.420(14) . ?
C6BA C6FA 1.453(17) . ?
C0GA C2DA 1.39(2) . ?
C0KA C0MA 1.323(17) . ?
C0KA C9DA 1.410(13) . ?
C0MA C3AA 1.443(14) . ?
C0MA C5LA 1.458(14) . ?
C5JA C8MA 1.47(2) . ?
C5JA C5HA 1.53(2) . ?
C3GA C9BA 1.40(2) . ?
C3GA C0HA 1.434(15) . ?
C0HA C5LA 1.36(2) . ?
C5LA C4AA 1.444(15) . ?
C4HA C12 1.386(13) . ?
C4HA C3HA 1.585(12) . ?
C2HA C3HA 1.497(11) . ?
C2HA C9FA 1.518(10) . ?
C9FA C5GA 1.542(10) . ?
C3CA C3AA 1.419(19) . ?
C3CA C5HA 1.445(19) . ?
C9AA C8MA 1.47(2) . ?
C9AA C4AA 1.487(15) . ?
C9AA C3AA 1.489(15) . ?
C9GA C0OA 0.412(15) 3_665 ?
C9GA C2OA 1.182(14) 3_665 ?
C9GA C5OA 1.314(15) 3_665 ?
C9GA C8HA 1.4001(11) . ?
C9GA C4FA 1.429(13) . ?
C9GA C5CA 1.458(15) . ?
C9GA C9MA 1.752(16) 3_665 ?
C9GA C3OA 1.917(12) 3_665 ?
C9GA C4OA 1.974(13) 3_665 ?
C8HA C3OA 0.519(12) 3_665 ?
C8HA C2OA 1.085(14) 3_665 ?
C8HA C4OA 1.341(13) 3_665 ?
C8HA C2KA 1.4005(11) . ?
C8HA C3IA 1.423(11) . ?
C8HA C0OA 1.801(14) 3_665 ?
C8HA C6HA 1.892(12) 3_665 ?
C8HA C5OA 1.915(12) 3_665 ?
C3KA C7BA 0.710(15) 3_665 ?
C3KA C8GA 0.812(13) 3_665 ?
C3KA C5CA 1.378(14) . ?
C3KA C2IA 1.437(12) . ?
C3KA C4JA 1.453(12) . ?
C3KA C6NA 1.695(16) 3_665 ?
C3KA C2OA 1.817(16) 3_665 ?
C3KA C5KA 1.971(14) 3_665 ?
C3KA C2JA 2.033(14) 3_665 ?
C5CA C9MA 1.129(15) 3_665 ?
C5CA C0OA 1.229(17) 3_665 ?
C5CA C6NA 1.393(15) 3_665 ?
C5CA C8IA 1.4002(11) . ?
C5CA C2OA 1.570(14) 3_665 ?
C5CA C7BA 1.712(16) 3_665 ?
C5CA C8GA 1.770(14) 3_665 ?
C2KA C3OA 1.181(12) 3_665 ?
C2KA C6HA 1.233(13) 3_665 ?
C2KA C2IA 1.403(13) . ?
C2KA C2OA 1.431(12) 3_665 ?
C2KA C1KA 1.445(11) . ?
C2KA C1HA 1.519(11) 3_665 ?
C2KA C8GA 1.696(14) 3_665 ?
C2KA C2JA 1.736(12) 3_665 ?
C2IA C8GA 0.712(12) 3_665 ?
C2IA C2JA 0.796(11) 3_665 ?
C2IA C1IA 1.456(11) . ?
C2IA C2OA 1.764(14) 3_665 ?
C2IA C1HA 1.824(14) 3_665 ?
C2IA C7BA 1.924(16) 3_665 ?
C2IA C7MA 1.967(13) 3_665 ?
C7IA C7LA 0.463(14) 3_665 ?
C7IA C6NA 1.196(15) 3_665 ?
C7IA C1EA 1.296(16) 3_665 ?
C7IA C8IA 1.4000(11) . ?
C7IA C6LA 1.431(11) . ?
C7IA C3FA 1.457(12) . ?
C7IA C4MA 1.829(15) 3_665 ?
C7IA C9MA 1.927(14) 3_665 ?
C7IA C3NA 1.963(14) 3_665 ?
C8IA C9MA 0.546(15) 3_665 ?
C8IA C6NA 1.117(13) 3_665 ?
C8IA C3NA 1.340(15) 3_665 ?
C8IA C0JA 1.444(14) . ?
C8IA C7LA 1.822(13) 3_665 ?
C8IA C0OA 1.893(18) 3_665 ?
C8IA C1EA 1.914(14) 3_665 ?
C6LA C7LA 1.125(16) 3_665 ?
C6LA C4MA 1.156(17) 3_665 ?
C6LA C4JA 1.396(16) . ?
C6LA C1JA 1.449(12) . ?
C6LA C6IA 1.495(14) 3_665 ?
C6LA C6NA 1.535(15) 3_665 ?
C6LA C5KA 1.795(18) 3_665 ?
C6LA C7BA 1.812(17) 3_665 ?
C4JA C5KA 0.781(12) 3_665 ?
C4JA C7BA 0.788(14) 3_665 ?
C4JA C4IA 1.460(12) . ?
C4JA C6NA 1.734(15) 3_665 ?
C4JA C6IA 1.738(17) 3_665 ?
C4JA C7MA 2.034(14) 3_665 ?
C5FA C1MA 0.628(11) 3_665 ?
C5FA C5OA 1.184(13) 3_665 ?
C5FA C0LA 1.241(13) 3_665 ?
C5FA C4FA 1.387(14) . ?
C5FA C5NA 1.418(14) . ?
C5FA C0IA 1.479(14) . ?
C5FA C4OA 1.920(12) 3_665 ?
C5FA C9IA 1.961(12) 3_665 ?
C3IA C4OA 0.677(11) 3_665 ?
C3IA C6GA 1.221(14) 3_665 ?
C3IA C3OA 1.253(14) 3_665 ?
C3IA C0IA 1.413(14) . ?
C3IA C1BA 1.446(11) . ?
C3IA C6HA 1.927(14) 3_665 ?
C3IA C4CA 1.937(14) 3_665 ?
C1KA C6HA 0.465(13) 3_665 ?
C1KA C1HA 1.119(14) 3_665 ?
C1KA C9KA 1.350(15) 3_665 ?
C1KA C4LA 1.404(14) . ?
C1KA C1BA 1.411(12) . ?
C1KA C3OA 1.847(14) 3_665 ?
C1KA C2MA 1.857(14) 3_665 ?
C1KA C4KA 1.957(15) 3_665 ?
C4FA C5OA 0.766(12) 3_665 ?
C4FA C1MA 1.260(14) 3_665 ?
C4FA C0OA 1.312(16) 3_665 ?
C4FA C0JA 1.400(15) . ?
C4FA C9MA 1.849(17) 3_665 ?
C4FA C4NA 1.876(15) 3_665 ?
C0IA C6GA 0.760(11) 3_665 ?
C0IA C4OA 1.170(13) 3_665 ?
C0IA C9IA 1.244(13) 3_665 ?
C0IA C0NA 1.394(15) . ?
C0IA C5OA 1.829(13) 3_665 ?
C0IA C0LA 1.873(13) 3_665 ?
C1BA C9KA 0.737(11) 3_665 ?
C1BA C4CA 1.227(15) 3_665 ?
C1BA C6HA 1.242(14) 3_665 ?
C1BA C0FA 1.386(17) . ?
C1BA C3OA 1.872(14) 3_665 ?
C1BA C6GA 1.903(13) 3_665 ?
C6KA C3LA 0.412(14) 3_665 ?
C6KA C2FA 1.205(13) 3_665 ?
C6KA C0LA 1.286(12) 3_665 ?
C6KA C9HA 1.403(15) . ?
C6KA C5NA 1.429(12) . ?
C6KA C6MA 1.432(12) . ?
C6KA C2LA 1.795(14) 3_665 ?
C6KA C8KA 1.917(15) 3_665 ?
C6KA C9IA 1.962(14) 3_665 ?
C5NA C0LA 0.789(10) 3_665 ?
C5NA C1MA 1.165(13) 3_665 ?
C5NA C3LA 1.331(12) 3_665 ?
C5NA C7KA 1.452(12) . ?
C5NA C4NA 1.816(12) 3_665 ?
C5NA C2LA 1.898(13) 3_665 ?
C0NA C9IA 0.678(10) 3_665 ?
C0NA C6GA 1.169(14) 3_665 ?
C0NA C8KA 1.329(15) 3_665 ?
C0NA C9HA 1.456(12) . ?
C0NA C5MA 1.468(12) . ?
C0NA C4CA 1.907(14) 3_665 ?
C0NA C1JA 1.974(14) 3_665 ?
C9HA C8KA 0.524(13) 3_665 ?
C9HA C2FA 1.121(14) 3_665 ?
C9HA C9IA 1.285(13) 3_665 ?
C9HA C6IA 1.452(12) . ?
C9HA C3LA 1.800(14) 3_665 ?
C9HA C0LA 1.873(13) 3_665 ?
C9HA C1JA 1.913(15) 3_665 ?
C7KA C1NA 0.648(12) 3_665 ?
C7KA C4NA 1.157(14) 3_665 ?
C7KA C2LA 1.335(13) 3_665 ?
C7KA C5IA 1.377(15) . ?
C7KA C9LA 1.436(13) . ?
C7KA C1MA 1.942(13) 3_665 ?
C7KA C3LA 2.003(14) 3_665 ?
C5IA C4NA 0.760(12) 3_665 ?
C5IA C3NA 1.169(16) 3_665 ?
C5IA C1NA 1.220(15) 3_665 ?
C5IA C0JA 1.420(16) . ?
C5IA C7GA 1.502(17) . ?
C5IA C1EA 1.866(14) 3_665 ?
C5IA C1LA 1.908(15) 3_665 ?
C0JA C3NA 0.702(14) 3_665 ?
C0JA C4NA 1.267(14) 3_665 ?
C0JA C9MA 1.279(17) 3_665 ?
C0JA C0OA 1.939(18) 3_665 ?
C0JA C1MA 1.974(15) 3_665 ?
C4LA C2MA 0.465(13) 3_665 ?
C4LA C1HA 1.139(14) 3_665 ?
C4LA C4KA 1.324(17) 3_665 ?
C4LA C2NA 1.435(12) . ?
C4LA C1LA 1.441(12) . ?
C4LA C9LA 1.804(15) 3_665 ?
C4LA C6HA 1.864(14) 3_665 ?
C4LA C9KA 1.955(15) 3_665 ?
C7GA C7HA 0.720(13) 3_665 ?
C7GA C1EA 1.162(17) 3_665 ?
C7GA C1LA 1.276(17) 3_665 ?
C7GA C3FA 1.315(18) . ?
C7GA C4KA 1.453(19) . ?
C7GA C3NA 1.889(17) 3_665 ?
C7GA C1NA 1.956(17) 3_665 ?
C0FA C4CA 0.692(13) 3_665 ?
C0FA C9KA 1.126(17) 3_665 ?
C0FA C7JA 1.221(17) 3_665 ?
C0FA C5MA 1.389(17) . ?
C0FA C7HA 1.474(16) . ?
C0FA C4KA 1.866(16) 3_665 ?
C0FA C3FA 1.957(17) 3_665 ?
C5MA C7JA 0.736(12) 3_665 ?
C5MA C4CA 1.160(16) 3_665 ?
C5MA C1JA 1.332(16) 3_665 ?
C5MA C4MA 1.463(14) . ?
C5MA C6GA 1.876(14) 3_665 ?
C5MA C8KA 1.952(15) 3_665 ?
C2NA C9LA 1.150(13) 3_665 ?
C2NA C2MA 1.187(14) 3_665 ?
C2NA C1IA 1.423(14) . ?
C2NA C6MA 1.442(12) 3_665 ?
C2NA C2LA 1.443(11) . ?
C2NA C1HA 1.518(11) 3_665 ?
C2NA C7MA 1.716(14) 3_665 ?
C2NA C2JA 1.737(13) 3_665 ?
C3FA C1EA 0.719(12) 3_665 ?
C3FA C7HA 1.231(17) 3_665 ?
C3FA C7LA 1.356(18) 3_665 ?
C3FA C7JA 1.442(12) . ?
C3FA C4MA 1.901(17) 3_665 ?
C4IA C5KA 0.730(13) 3_665 ?
C4IA C7MA 0.799(13) 3_665 ?
C4IA C2FA 1.420(16) . ?
C4IA C1IA 1.428(13) . ?
C4IA C6IA 1.740(16) 3_665 ?
C4IA C6MA 1.801(13) 3_665 ?
C4IA C7BA 1.973(15) 3_665 ?
C4IA C2JA 2.012(15) 3_665 ?
C1LA C4KA 0.713(13) 3_665 ?
C1LA C2MA 1.305(16) 3_665 ?
C1LA C7HA 1.372(17) . ?
C1LA C1NA 1.449(12) . ?
C1LA C9LA 1.876(16) 3_665 ?
C7HA C4KA 1.165(17) 3_665 ?
C7HA C1EA 1.468(17) . ?
C7HA C9KA 1.849(15) 3_665 ?
C7HA C7JA 1.851(17) 3_665 ?
C1IA C7MA 0.707(12) 3_665 ?
C1IA C2JA 0.772(11) 3_665 ?
C1IA C6MA 1.762(13) 3_665 ?
C1IA C1HA 1.817(14) 3_665 ?
C1IA C5KA 1.935(15) 3_665 ?
C1IA C8GA 1.977(13) 3_665 ?
C2LA C9LA 0.554(14) 3_665 ?
C2LA C6MA 1.100(13) 3_665 ?
C2LA C3LA 1.399(15) . ?
C2LA C1NA 1.455(12) . ?
C2LA C2MA 1.900(15) 3_665 ?
C2FA C8KA 1.424(12) . ?
C2FA C3LA 1.438(11) . ?
C2FA C6IA 1.442(13) 3_665 ?
C2FA C6MA 1.567(13) 3_665 ?
C2FA C5KA 1.747(15) 3_665 ?
C2FA C7MA 1.806(14) 3_665 ?
C6IA C8KA 1.175(15) 3_665 ?
C6IA C1JA 1.205(17) 3_665 ?
C6IA C5KA 1.400(18) . ?
C6IA C4MA 1.467(13) . ?
C3LA C6MA 1.175(13) 3_665 ?
C3LA C0LA 1.426(11) . ?
C3LA C9LA 1.930(15) 3_665 ?
C4MA C1JA 0.497(14) 3_665 ?
C4MA C7JA 1.315(18) 3_665 ?
C4MA C7LA 1.369(18) . ?
C4MA C8KA 1.883(16) 3_665 ?
C6GA C4OA 1.374(14) . ?
C6GA C9IA 1.411(15) . ?
C6GA C4CA 1.514(15) . ?
C9IA C8KA 1.413(12) . ?
C9IA C0LA 1.444(11) . ?
C7JA C4CA 1.386(17) . ?
C7JA C1JA 1.444(13) . ?
C7JA C7LA 1.974(18) 3_665 ?
C8KA C1JA 1.421(16) . ?
C4CA C9KA 1.364(17) . ?
C3OA C6HA 1.420(16) . ?
C3OA C4OA 1.424(12) . ?
C3OA C2OA 1.437(13) . ?
C6HA C9KA 1.427(13) . ?
C6HA C1HA 1.438(12) . ?
C4KA C2MA 1.428(14) . ?
C4KA C9KA 1.452(13) . ?
C1JA C7LA 1.855(16) 3_665 ?
C0LA C1MA 1.368(14) . ?
C1MA C5OA 1.421(15) . ?
C1MA C4NA 1.508(15) . ?
C9MA C0OA 1.36(2) . ?
C9MA C6NA 1.440(13) . ?
C9MA C3NA 1.451(14) . ?
C5OA C0OA 1.427(14) . ?
C5OA C4OA 1.442(12) . ?
C2OA C8GA 1.408(17) . ?
C2OA C0OA 1.438(13) . ?
C6NA C7BA 1.388(18) . ?
C6NA C7LA 1.427(14) . ?
C1EA C7LA 1.430(14) . ?
C1EA C3NA 1.443(13) . ?
C4NA C1NA 1.382(15) . ?
C4NA C3NA 1.419(15) . ?
C1NA C9LA 1.296(15) 3_665 ?
C1NA C2MA 1.954(16) 3_665 ?
C7BA C8GA 1.437(14) . ?
C7BA C5KA 1.444(14) . ?
C8GA C2JA 1.453(13) . ?
C2JA C1HA 1.398(16) . ?
C2JA C7MA 1.424(13) . ?
C2MA C9LA 1.365(17) . ?
C2MA C1HA 1.433(12) . ?
C6MA C7MA 1.409(16) . ?
C6MA C9LA 1.430(12) . ?
C7MA C5KA 1.442(13) . ?
C1 C2 1.4001(11) . ?
C1 C4 1.4002(11) . ?
C1 C3 1.4003(11) . ?
C6OA C8NA 1.40(2) . ?
C6OA C2 1.46(2) . ?
C6OA C9NA 1.47(2) . ?
C2 C2UA 1.51(3) . ?
C7OA C3PA 1.40(2) . ?
C7OA C5PA 1.45(2) . ?
C7OA C4PA 1.46(3) . ?
C9NA C0PA 1.36(2) . ?
C9NA C3UA 1.42(2) . ?
C4PA C3QA 1.36(2) . ?
C4PA C0PA 1.48(2) . ?
C0PA C2PA 1.37(2) . ?
C7QA C3 1.401(19) . ?
C7QA C8NA 1.433(14) . ?
C7QA C2QA 1.440(15) . ?
C2PA C5TA 1.37(2) . ?
C2PA C5PA 1.42(2) . ?
C5PA C6PA 1.39(2) . ?
C3QA C8NA 1.451(15) . ?
C3QA C9QA 1.452(16) . ?
C3PA C3SA 1.376(15) . ?
C3PA C9OA 1.404(14) . ?
C6PA C0SA 1.414(16) . ?
C6PA C8OA 1.417(16) . ?
C9OA C1RA 1.405(12) . ?
C9OA C8OA 1.44(2) . ?
C8OA C8PA 1.417(16) . ?
C3SA C2SA 1.4001(11) . ?
C3SA C9QA 1.51(2) . ?
C9QA C2QA 1.439(15) . ?
C3UA C1UA 1.33(2) . ?
C3UA C2UA 1.43(2) . ?
C5TA C1UA 1.400(17) . ?
C5TA C7EA 1.402(16) . ?
C1UA C4UA 1.404(16) . ?
C0QA C8PA 1.41(2) . ?
C0QA C6RA 1.46(2) . ?
C0QA C8QA 1.541(19) . ?
C8QA C1RA 1.4002(11) . ?
C8QA C1OA 1.50(2) . ?
C1RA C2SA 1.376(13) . ?
C8PA C9RA 1.414(16) . ?
C2QA C7SA 1.479(19) . ?
C3 C5QA 1.52(2) . ?
C5QA C7TA 1.406(15) . ?
C5QA C4RA 1.429(14) . ?
C4RA C7SA 1.4002(11) . ?
C4RA C7RA 1.4002(11) . ?
C2SA C6SA 1.460(16) . ?
C7SA C6SA 1.521(17) . ?
C6SA C5SA 1.465(19) . ?
C9RA C0SA 1.419(16) . ?
C9RA C9PA 1.46(2) . ?
C0SA C7EA 1.41(2) . ?
C7EA C1SA 1.426(16) . ?
C9PA C2RA 1.4001(11) . ?
C9PA C4SA 1.46(2) . ?
C2RA C2TA 1.44(2) . ?
C2RA C6RA 1.46(2) . ?
C6RA C7NA 1.47(3) . ?
C1OA C5SA 1.28(2) . ?
C1OA C5RA 1.42(3) . ?
C5SA C0RA 1.346(19) . ?
C4SA C1SA 1.42(2) . ?
C4SA C4QA 1.42(2) . ?
C1SA C4UA 1.398(16) . ?
C3TA C7NA 1.38(2) . ?
C3TA C2TA 1.39(2) . ?
C3TA C1PA 1.399(19) . ?
C4QA C6QA 1.403(16) . ?
C4QA C0TA 1.423(15) . ?
C0TA C2TA 1.4000(11) . ?
C0TA C3RA 1.409(15) . ?
C0RA C8RA 1.4000(11) . ?
C0RA C7RA 1.4003(11) . ?
C5RA C8RA 1.35(3) . ?
C5RA C7NA 1.46(2) . ?
C7RA C5UA 1.4000(11) . ?
C5UA C7TA 1.405(15) . ?
C5UA C9TA 1.42(2) . ?
C9TA C6TA 1.395(16) . ?
C9TA C9SA 1.4000(11) . ?
C9SA C1PA 1.400(15) . ?
C9SA C8RA 1.428(19) . ?
C8SA C3RA 1.381(18) . ?
C8SA C1PA 1.407(14) . ?
C8SA C6TA 1.409(14) . ?
C6QA C8TA 1.422(15) . ?
C6QA C0UA 1.44(2) . ?
C0UA C4UA 1.37(2) . ?
C0UA C1TA 1.44(2) . ?
C6TA C4TA 1.4000(11) . ?
C3RA C8TA 1.422(15) . ?
C4 C5 1.486(17) . ?
C4 C1QA 1.487(16) . ?
C7TA C5 1.18(4) . ?
C1TA C2UA 1.36(2) . ?
C1TA C1QA 1.41(2) . ?
C1QA C7PA 1.474(15) . ?
C4TA C7PA 1.465(15) . ?
C4TA C5 1.482(17) . ?
C7PA C8TA 1.38(2) . ?
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 0.500 1204 344 ' '
2 0.000 0.500 0.000 1204 344 ' '
3 0.174 0.161 0.016 36 -4 ' '
4 0.174 0.339 0.516 36 -4 ' '
5 0.434 0.235 0.308 232 53 ' '
6 0.434 0.265 0.808 232 53 ' '
7 0.306 0.674 0.423 35 -1 ' '
8 0.307 0.826 0.923 36 0 ' '
9 0.500 0.000 1.000 216 49 ' '
10 0.500 0.500 0.500 216 49 ' '
11 0.566 0.735 0.192 232 53 ' '
12 0.566 0.765 0.692 232 53 ' '
13 0.500 0.000 0.500 37 -1 ' '
14 0.500 0.500 0.000 37 -1 ' '
15 0.693 0.174 0.077 36 -1 ' '
16 0.693 0.326 0.577 36 -1 ' '
17 0.826 0.661 0.484 36 -4 ' '
18 0.826 0.839 0.984 36 -4 ' '
