#------------------------------------------------------------------------------
#$Date: 2019-07-17 02:53:38 +0300 (Wed, 17 Jul 2019) $
#$Revision: 217085 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/38/7123866.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_7123866
loop_
_publ_author_name
'Lorzing, Gregory'
'Gosselin, Eric'
'Lindner, Brian S.'
'Bhattacharjee, Rameswar'
'Yap, Glenn'
'Caratzoulas, Stavros'
'Bloch, Eric D.'
_publ_section_title
;
 Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination
 Cages
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC05002G
_journal_year                    2019
_chemical_formula_moiety         'C180 H156 Cu12 N24 O59, 3 (Cl O4)'
_chemical_formula_sum            'C180 H156 Cl3 Cu12 N24 O71'
_chemical_formula_weight         4660.11
_chemical_name_systematic        '[Cu12(btc)4(OMe-bipy)12][ClO4]12'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-07-15 deposited with the CCDC.    2019-07-16 downloaded from the CCDC.
;
_cell_angle_alpha                105.0947(11)
_cell_angle_beta                 92.9723(11)
_cell_angle_gamma                102.3211(14)
_cell_formula_units_Z            4
_cell_length_a                   22.8717(6)
_cell_length_b                   34.9204(9)
_cell_length_c                   36.9964(9)
_cell_measurement_reflns_used    9887
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      52.51
_cell_measurement_theta_min      2.54
_cell_volume                     27690.6(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0677
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            360091
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        53.159
_diffrn_reflns_theta_max         53.159
_diffrn_reflns_theta_min         1.245
_exptl_absorpt_coefficient_mu    1.826
_exptl_absorpt_correction_T_max  0.7504
_exptl_absorpt_correction_T_min  0.5978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.118
_exptl_crystal_description       block
_exptl_crystal_F_000             9484
_exptl_crystal_size_max          0.433
_exptl_crystal_size_mid          0.414
_exptl_crystal_size_min          0.216
_refine_diff_density_max         3.220
_refine_diff_density_min         -2.102
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.420
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     4303
_refine_ls_number_reflns         62671
_refine_ls_number_restraints     9553
_refine_ls_restrained_S_all      2.418
_refine_ls_R_factor_all          0.2514
_refine_ls_R_factor_gt           0.2025
_refine_ls_shift/su_max          0.086
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.5258
_refine_ls_wR_factor_ref         0.5821
_reflns_Friedel_coverage         0.000
_reflns_number_gt                39759
_reflns_number_total             62671
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc05002g2.cif
_cod_data_source_block           eric212_sq
_cod_database_code               7123866
_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. 
;
_shelx_estimated_absorpt_t_min   0.505
_shelx_estimated_absorpt_t_max   0.694
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 0.08914(12) 1.06139(9) 0.31563(9) 0.0977(8) Uani 1 1 d D U
O1 O 0.1406(8) 1.1192(4) 0.3089(6) 0.144(6) Uani 1 1 d D .
Cu2 Cu 0.03927(11) 0.97283(9) 0.31588(8) 0.0900(8) Uani 1 1 d D U
O2 O 0.0268(9) 0.9060(4) 0.3061(6) 0.157(6) Uani 1 1 d D .
Cu3 Cu 0.25320(11) 0.84053(8) 0.34651(8) 0.0836(7) Uani 1 1 d D U
O3 O 0.1583(6) 0.8264(6) 0.3197(4) 0.135(5) Uani 1 1 d D .
Cu4 Cu 0.38881(11) 0.87777(9) 0.36569(8) 0.0872(7) Uani 1 1 d D U
O4 O 0.4837(5) 0.9107(5) 0.3713(5) 0.121(5) Uani 1 1 d D .
Cu5 Cu 0.51772(12) 1.10269(9) 0.37195(8) 0.0979(8) Uani 1 1 d . U
Cu6 Cu 0.43077(12) 1.15486(8) 0.35548(7) 0.0866(7) Uani 1 1 d D U
O6 O 0.3574(6) 1.1741(4) 0.3283(5) 0.129(5) Uani 1 1 d D .
Cu7 Cu 0.27581(13) 1.10550(9) 0.15471(8) 0.0954(8) Uani 1 1 d D U
O7 O 0.2586(11) 1.1467(5) 0.2071(4) 0.163(6) Uani 1 1 d D .
Cu8 Cu 0.29768(13) 1.03320(9) 0.09458(7) 0.0927(8) Uani 1 1 d D U
O8 O 0.3263(7) 0.9770(3) 0.0670(4) 0.114(4) Uani 1 1 d D .
Cu9 Cu 0.10001(12) 0.79726(7) 0.14844(7) 0.0855(8) Uani 1 1 d . U
O9 O 0.0636(8) 0.7861(6) 0.2007(5) 0.139(5) Uani 1 1 d . .
Cu10 Cu 0.17354(14) 0.82412(8) 0.08723(7) 0.0940(8) Uani 1 1 d D U
O10 O 0.2338(7) 0.8693(4) 0.0653(4) 0.128(5) Uani 1 1 d D .
Cu11 Cu 0.57734(12) 0.92867(9) 0.21154(9) 0.0976(8) Uani 1 1 d . U
O11 O 0.5903(7) 0.9310(7) 0.2751(4) 0.155(7) Uani 1 1 d . .
Cu12 Cu 0.51734(13) 0.91294(9) 0.13140(8) 0.0949(8) Uani 1 1 d D U
O12 O 0.4497(6) 0.9120(5) 0.0858(3) 0.120(5) Uani 1 1 d D .
Cu13 Cu 0.46227(10) 0.45074(8) 0.24314(6) 0.0756(7) Uani 1 1 d D U
O13 O 0.4612(5) 0.5025(3) 0.2185(3) 0.087(3) Uani 1 1 d D .
Cu14 Cu 0.49528(10) 0.38496(8) 0.27377(6) 0.0746(7) Uani 1 1 d D U
O14 O 0.5454(6) 0.3460(4) 0.2952(4) 0.111(4) Uani 1 1 d D .
Cu15 Cu 0.78440(9) 0.41926(7) 0.39607(5) 0.0602(6) Uani 1 1 d D U
O15 O 0.7100(5) 0.3671(3) 0.3629(3) 0.091(3) Uani 1 1 d D .
Cu16 Cu 0.87727(9) 0.50125(7) 0.41317(6) 0.0646(6) Uani 1 1 d D U
O16 O 0.9353(5) 0.5595(3) 0.4111(3) 0.085(3) Uani 1 1 d D .
Cu17 Cu 0.80892(14) 0.67496(8) 0.34205(8) 0.0949(8) Uani 1 1 d D U
O17 O 0.8882(6) 0.6624(5) 0.3697(4) 0.135(5) Uani 1 1 d D .
Cu18 Cu 0.69096(13) 0.66245(8) 0.29245(8) 0.0919(8) Uani 1 1 d D U
O18 O 0.6087(6) 0.6353(4) 0.2519(4) 0.116(4) Uani 1 1 d D .
Cu19 Cu 0.64022(10) 0.52077(8) 0.08833(6) 0.0779(7) Uani 1 1 d D U
O19 O 0.5739(5) 0.5428(4) 0.1247(3) 0.089(3) Uani 1 1 d D .
Cu20 Cu 0.73920(11) 0.47944(8) 0.05771(6) 0.0769(7) Uani 1 1 d D U
O20 O 0.8251(6) 0.4589(5) 0.0525(4) 0.127(5) Uani 1 1 d D .
Cu21 Cu 0.73210(11) 0.27567(6) 0.19195(6) 0.0675(6) Uani 1 1 d D U
O21 O 0.6807(6) 0.2708(5) 0.2400(4) 0.113(4) Uani 1 1 d D .
Cu22 Cu 0.80703(12) 0.30333(7) 0.13265(7) 0.0772(7) Uani 1 1 d . U
Cu23 Cu 1.04973(9) 0.56108(7) 0.26242(6) 0.0665(6) Uani 1 1 d D U
O23 O 1.0353(5) 0.5882(4) 0.3213(3) 0.083(3) Uani 1 1 d D .
Cu24 Cu 1.02739(9) 0.50627(7) 0.18049(6) 0.0669(6) Uani 1 1 d D U
O24 O 0.9891(7) 0.4679(5) 0.1230(3) 0.116(4) Uani 1 1 d D .
N1_1 N 0.0708(3) 1.0879(3) 0.3665(2) 0.123(3) Uani 1 1 d G U
N2_1 N 0.0076(4) 1.0663(3) 0.3011(2) 0.122(3) Uani 1 1 d G U
O1_1 O 0.0169(5) 1.1365(4) 0.4697(2) 0.169(4) Uani 1 1 d DG U
O2_1 O -0.1682(4) 1.0731(4) 0.2791(3) 0.167(4) Uani 1 1 d DG U
C1_1 C 0.1071(3) 1.0992(4) 0.3990(3) 0.137(4) Uani 1 1 d G U
H1_1 H 0.146042 1.095308 0.398181 0.164 Uiso 1 1 d G U
C2_1 C 0.0897(4) 1.1161(3) 0.4335(2) 0.148(4) Uani 1 1 d G U
H2_1 H 0.116478 1.123945 0.455364 0.177 Uiso 1 1 d G U
C3_1 C 0.0313(4) 1.1212(3) 0.4347(2) 0.154(4) Uani 1 1 d DG U
C4_1 C -0.0073(3) 1.1103(3) 0.4015(2) 0.145(4) Uani 1 1 d G U
H4_1 H -0.046395 1.114058 0.401741 0.173 Uiso 1 1 d G U
C5_1 C 0.0144(3) 1.0937(2) 0.3678(2) 0.134(3) Uani 1 1 d G U
C6_1 C -0.0223(3) 1.0812(2) 0.3301(2) 0.132(3) Uani 1 1 d G U
C7_1 C -0.0814(3) 1.0847(3) 0.3252(2) 0.144(4) Uani 1 1 d G U
H7_1 H -0.100487 1.095475 0.345753 0.172 Uiso 1 1 d G U
C8_1 C -0.1113(4) 1.0714(3) 0.2886(3) 0.152(4) Uani 1 1 d DG U
C9_1 C -0.0814(5) 1.0552(3) 0.2588(2) 0.143(4) Uani 1 1 d G U
H9_1 H -0.100535 1.045766 0.234331 0.172 Uiso 1 1 d G U
C10_1 C -0.0228(4) 1.0533(4) 0.2663(2) 0.133(4) Uani 1 1 d G U
H10_1 H -0.002960 1.042451 0.246242 0.160 Uiso 1 1 d G U
C11_1 C -0.0418(6) 1.1435(6) 0.4735(3) 0.179(7) Uani 1 1 d D U
H11A_1 H -0.045730 1.154600 0.500271 0.269 Uiso 1 1 calc R U
H11B_1 H -0.048157 1.163070 0.459803 0.269 Uiso 1 1 calc R U
H11C_1 H -0.071932 1.117744 0.463223 0.269 Uiso 1 1 calc R U
C12_1 C -0.2021(4) 1.0891(6) 0.3081(4) 0.188(7) Uani 1 1 d D U
H12A_1 H -0.242313 1.088424 0.297021 0.282 Uiso 1 1 calc R U
H12B_1 H -0.205957 1.072433 0.325895 0.282 Uiso 1 1 calc R U
H12C_1 H -0.181524 1.117260 0.321426 0.282 Uiso 1 1 calc R U
N1_2 N 0.0122(3) 0.9901(3) 0.3660(2) 0.125(3) Uani 1 1 d G U
N2_2 N -0.0463(3) 0.9669(3) 0.2990(2) 0.117(3) Uani 1 1 d G U
O1_2 O -0.0548(5) 1.0285(5) 0.4669(2) 0.184(5) Uani 1 1 d DG U
O2_2 O -0.2262(4) 0.9604(4) 0.2717(3) 0.160(4) Uani 1 1 d DG U
C1_2 C 0.0462(4) 1.0025(4) 0.3994(3) 0.144(4) Uani 1 1 d G U
H1_2 H 0.086725 1.001912 0.399786 0.173 Uiso 1 1 d G U
C2_2 C 0.0244(4) 1.0161(4) 0.4332(2) 0.157(4) Uani 1 1 d G U
H2_2 H 0.049589 1.024895 0.455804 0.189 Uiso 1 1 d G U
C3_2 C -0.0362(4) 1.0163(3) 0.4327(2) 0.165(4) Uani 1 1 d DG U
C4_2 C -0.0726(4) 1.0041(3) 0.3984(2) 0.150(4) Uani 1 1 d G U
H4_2 H -0.113159 1.004590 0.397473 0.180 Uiso 1 1 d G U
C5_2 C -0.0464(3) 0.9912(2) 0.3656(2) 0.135(3) Uani 1 1 d G U
C6_2 C -0.0804(3) 0.9777(2) 0.3269(2) 0.130(3) Uani 1 1 d G U
C7_2 C -0.1411(3) 0.9766(3) 0.3203(2) 0.137(4) Uani 1 1 d G U
H7_2 H -0.163218 0.984646 0.340137 0.165 Uiso 1 1 d G U
C8_2 C -0.1681(3) 0.9628(3) 0.2829(2) 0.145(4) Uani 1 1 d DG U
C9_2 C -0.1337(4) 0.9508(3) 0.2542(2) 0.138(4) Uani 1 1 d G U
H9_2 H -0.150780 0.941172 0.229245 0.166 Uiso 1 1 d G U
C10_2 C -0.0738(4) 0.9533(4) 0.2635(2) 0.127(3) Uani 1 1 d G U
H10_2 H -0.050975 0.945237 0.244069 0.153 Uiso 1 1 d G U
C11_2 C -0.1161(6) 1.0305(6) 0.4690(3) 0.208(8) Uani 1 1 d D U
H11A_2 H -0.122929 1.039797 0.495493 0.312 Uiso 1 1 calc R U
H11B_2 H -0.125161 1.049751 0.455666 0.312 Uiso 1 1 calc R U
H11C_2 H -0.142285 1.003414 0.457373 0.312 Uiso 1 1 calc R U
C12_2 C -0.2465(5) 0.9472(5) 0.2325(3) 0.174(5) Uani 1 1 d D U
H12A_2 H -0.289307 0.947027 0.228790 0.261 Uiso 1 1 calc R U
H12B_2 H -0.223293 0.965925 0.219938 0.261 Uiso 1 1 calc R U
H12C_2 H -0.240866 0.919653 0.221805 0.261 Uiso 1 1 calc R U
N1_3 N 0.2228(4) 0.83986(19) 0.3956(2) 0.098(2) Uani 1 1 d G U
N2_3 N 0.2563(3) 0.7844(2) 0.34497(18) 0.087(2) Uani 1 1 d G U
O1_3 O 0.1473(5) 0.8267(3) 0.4916(2) 0.144(4) Uani 1 1 d DG U
O2_3 O 0.2455(5) 0.6647(2) 0.3445(3) 0.117(3) Uani 1 1 d DG U
C1_3 C 0.2055(4) 0.8701(2) 0.4198(2) 0.110(3) Uani 1 1 d G U
H1_3 H 0.211519 0.895377 0.414894 0.132 Uiso 1 1 d G U
C2_3 C 0.1792(4) 0.8657(2) 0.4516(2) 0.121(3) Uani 1 1 d G U
H2_3 H 0.167187 0.887318 0.467530 0.145 Uiso 1 1 d G U
C3_3 C 0.1712(4) 0.8282(2) 0.4592(2) 0.126(3) Uani 1 1 d DG U
C4_3 C 0.1880(3) 0.7960(2) 0.43438(17) 0.113(3) Uani 1 1 d G U
H4_3 H 0.182151 0.770514 0.438782 0.136 Uiso 1 1 d G U
C5_3 C 0.2138(3) 0.80325(19) 0.40271(17) 0.101(3) Uani 1 1 d G U
C6_3 C 0.2331(2) 0.77109(18) 0.37356(16) 0.095(3) Uani 1 1 d G U
C7_3 C 0.2277(3) 0.73138(18) 0.37565(17) 0.100(3) Uani 1 1 d G U
H7_3 H 0.210929 0.723060 0.395526 0.120 Uiso 1 1 d G U
C8_3 C 0.2483(3) 0.70422(19) 0.3469(2) 0.106(3) Uani 1 1 d DG U
C9_3 C 0.2734(4) 0.7179(2) 0.31801(19) 0.102(3) Uani 1 1 d G U
H9_3 H 0.287854 0.700604 0.298871 0.122 Uiso 1 1 d G U
C10_3 C 0.2763(4) 0.7576(2) 0.31817(19) 0.094(3) Uani 1 1 d G U
H10_3 H 0.293169 0.766635 0.298631 0.112 Uiso 1 1 d G U
C11_3 C 0.1366(7) 0.7892(4) 0.5013(3) 0.168(6) Uani 1 1 d D U
H11A_3 H 0.119314 0.792647 0.525344 0.251 Uiso 1 1 calc R U
H11B_3 H 0.108349 0.768089 0.481596 0.251 Uiso 1 1 calc R U
H11C_3 H 0.174640 0.780969 0.503752 0.251 Uiso 1 1 calc R U
C12_3 C 0.2666(7) 0.6405(3) 0.3130(3) 0.167(7) Uani 1 1 d D U
H12A_3 H 0.261709 0.612694 0.315224 0.250 Uiso 1 1 calc R U
H12B_3 H 0.243375 0.639934 0.289796 0.250 Uiso 1 1 calc R U
H12C_3 H 0.309301 0.652387 0.312380 0.250 Uiso 1 1 calc R U
N1_4 N 0.3731(4) 0.8768(2) 0.4182(2) 0.104(2) Uani 1 1 d G U
N2_4 N 0.4062(4) 0.8242(2) 0.36456(19) 0.098(2) Uani 1 1 d G U
O1_4 O 0.3238(5) 0.8618(3) 0.5201(2) 0.143(4) Uani 1 1 d DG U
O2_4 O 0.4211(5) 0.7082(2) 0.3640(3) 0.140(4) Uani 1 1 d DG U
C1_4 C 0.3552(4) 0.9054(2) 0.4441(3) 0.119(3) Uani 1 1 d G U
H1_4 H 0.354587 0.930011 0.438850 0.143 Uiso 1 1 d G U
C2_4 C 0.3376(4) 0.9003(2) 0.4779(2) 0.128(3) Uani 1 1 d G U
H2_4 H 0.324779 0.920753 0.494880 0.153 Uiso 1 1 d G U
C3_4 C 0.3395(4) 0.8639(3) 0.4858(2) 0.130(3) Uani 1 1 d DG U
C4_4 C 0.3571(3) 0.8333(2) 0.45941(19) 0.118(3) Uani 1 1 d G U
H4_4 H 0.357867 0.808525 0.464067 0.142 Uiso 1 1 d G U
C5_4 C 0.3737(3) 0.8411(2) 0.42578(18) 0.108(3) Uani 1 1 d G U
C6_4 C 0.3929(3) 0.8107(2) 0.39485(18) 0.105(3) Uani 1 1 d G U
C7_4 C 0.3965(3) 0.7721(2) 0.3971(2) 0.112(3) Uani 1 1 d G U
H7_4 H 0.386333 0.763560 0.418182 0.134 Uiso 1 1 d G U
C8_4 C 0.4159(4) 0.7466(2) 0.3665(2) 0.124(3) Uani 1 1 d DG U
C9_4 C 0.4310(4) 0.7606(3) 0.3357(2) 0.120(3) Uani 1 1 d G U
H9_4 H 0.444594 0.744395 0.315347 0.144 Uiso 1 1 d G U
C10_4 C 0.4255(4) 0.7991(3) 0.3360(2) 0.110(3) Uani 1 1 d G U
H10_4 H 0.435655 0.808303 0.315202 0.132 Uiso 1 1 d G U
C11_4 C 0.3075(7) 0.8958(4) 0.5442(3) 0.154(7) Uani 1 1 d D U
H11A_4 H 0.297324 0.889798 0.567816 0.230 Uiso 1 1 calc R U
H11B_4 H 0.341321 0.919789 0.549475 0.230 Uiso 1 1 calc R U
H11C_4 H 0.272502 0.901366 0.531797 0.230 Uiso 1 1 calc R U
C12_4 C 0.4065(7) 0.6916(3) 0.3946(4) 0.161(6) Uani 1 1 d D U
H12A_4 H 0.412399 0.663723 0.388685 0.241 Uiso 1 1 calc R U
H12B_4 H 0.432741 0.708455 0.417436 0.241 Uiso 1 1 calc R U
H12C_4 H 0.364377 0.691089 0.398581 0.241 Uiso 1 1 calc R U
N1_5 N 0.5177(3) 1.1366(3) 0.4237(2) 0.117(3) Uani 1 1 d G U
N2_5 N 0.6002(3) 1.1383(2) 0.3781(2) 0.108(3) Uani 1 1 d G U
O1_5 O 0.5252(5) 1.2141(4) 0.5298(2) 0.165(4) Uani 1 1 d DG U
O2_5 O 0.7659(4) 1.2200(4) 0.3969(3) 0.160(4) Uani 1 1 d DG U
C1_5 C 0.4733(3) 1.1328(3) 0.4457(3) 0.131(4) Uani 1 1 d G U
H1_5 H 0.438852 1.111951 0.436347 0.157 Uiso 1 1 d G U
C2_5 C 0.4759(3) 1.1581(3) 0.4815(2) 0.141(4) Uani 1 1 d G U
H2_5 H 0.444461 1.154239 0.496058 0.169 Uiso 1 1 d G U
C3_5 C 0.5268(4) 1.1896(3) 0.4951(2) 0.148(4) Uani 1 1 d DG U
C4_5 C 0.5741(3) 1.1941(3) 0.47313(19) 0.137(4) Uani 1 1 d G U
H4_5 H 0.608938 1.214676 0.482033 0.165 Uiso 1 1 d G U
C5_5 C 0.5676(3) 1.1667(2) 0.43736(18) 0.125(3) Uani 1 1 d G U
C6_5 C 0.6153(3) 1.1679(2) 0.41108(18) 0.120(3) Uani 1 1 d G U
C7_5 C 0.6701(3) 1.1965(2) 0.4198(2) 0.132(4) Uani 1 1 d G U
H7_5 H 0.679434 1.216232 0.442994 0.158 Uiso 1 1 d G U
C8_5 C 0.7107(3) 1.1949(3) 0.3927(2) 0.140(4) Uani 1 1 d DG U
C9_5 C 0.6948(4) 1.1652(3) 0.3584(2) 0.127(4) Uani 1 1 d G U
H9_5 H 0.720801 1.163804 0.339871 0.152 Uiso 1 1 d G U
C10_5 C 0.6399(4) 1.1380(3) 0.3525(2) 0.117(3) Uani 1 1 d G U
H10_5 H 0.629543 1.118152 0.329442 0.140 Uiso 1 1 d G U
C11_5 C 0.4730(5) 1.2060(5) 0.5484(3) 0.180(7) Uani 1 1 d D U
H11A_5 H 0.478378 1.226171 0.573056 0.270 Uiso 1 1 calc R U
H11B_5 H 0.437838 1.207772 0.533160 0.270 Uiso 1 1 calc R U
H11C_5 H 0.466923 1.178592 0.551755 0.270 Uiso 1 1 calc R U
C12_5 C 0.8030(5) 1.2136(5) 0.3674(4) 0.182(8) Uani 1 1 d D U
H12A_5 H 0.841342 1.234113 0.374535 0.273 Uiso 1 1 calc R U
H12B_5 H 0.810649 1.186284 0.362742 0.273 Uiso 1 1 calc R U
H12C_5 H 0.782649 1.216076 0.344383 0.273 Uiso 1 1 calc R U
N1_6 N 0.4232(4) 1.1940(3) 0.4023(2) 0.123(3) Uani 1 1 d G U
N2_6 N 0.5051(4) 1.1975(2) 0.3564(2) 0.115(3) Uani 1 1 d G U
O1_6 O 0.4333(6) 1.2669(4) 0.5107(3) 0.190(5) Uani 1 1 d DG U
O2_6 O 0.6722(4) 1.2778(4) 0.3771(3) 0.160(4) Uani 1 1 d DG U
C1_6 C 0.3791(4) 1.1894(3) 0.4244(3) 0.140(4) Uani 1 1 d G U
H1_6 H 0.344250 1.169046 0.414512 0.168 Uiso 1 1 d G U
C2_6 C 0.3826(4) 1.2132(3) 0.4609(3) 0.157(4) Uani 1 1 d G U
H2_6 H 0.351216 1.208698 0.475448 0.189 Uiso 1 1 d G U
C3_6 C 0.4341(5) 1.2439(3) 0.4753(2) 0.171(4) Uani 1 1 d DG U
C4_6 C 0.4811(4) 1.2492(3) 0.4533(2) 0.160(4) Uani 1 1 d G U
H4_6 H 0.516329 1.269297 0.462657 0.193 Uiso 1 1 d G U
C5_6 C 0.4737(3) 1.2234(2) 0.4167(2) 0.140(3) Uani 1 1 d G U
C6_6 C 0.5211(3) 1.22556(19) 0.3903(2) 0.132(3) Uani 1 1 d G U
C7_6 C 0.5764(4) 1.2537(2) 0.3996(2) 0.142(4) Uani 1 1 d G U
H7_6 H 0.586310 1.272336 0.423378 0.170 Uiso 1 1 d G U
C8_6 C 0.6167(4) 1.2531(3) 0.3723(2) 0.146(4) Uani 1 1 d DG U
C9_6 C 0.5999(4) 1.2250(3) 0.3372(2) 0.135(4) Uani 1 1 d G U
H9_6 H 0.625595 1.224308 0.318549 0.162 Uiso 1 1 d G U
C10_6 C 0.5445(4) 1.1982(3) 0.3307(2) 0.122(4) Uani 1 1 d G U
H10_6 H 0.533584 1.179366 0.307080 0.147 Uiso 1 1 d G U
C11_6 C 0.3812(7) 1.2581(5) 0.5293(3) 0.210(8) Uani 1 1 d D U
H11A_6 H 0.387031 1.277101 0.554551 0.315 Uiso 1 1 calc R U
H11B_6 H 0.346064 1.260956 0.514771 0.315 Uiso 1 1 calc R U
H11C_6 H 0.374546 1.230053 0.531234 0.315 Uiso 1 1 calc R U
C12_6 C 0.7088(5) 1.2727(5) 0.3471(4) 0.192(8) Uani 1 1 d D U
H12A_6 H 0.747464 1.292740 0.354767 0.288 Uiso 1 1 calc R U
H12B_6 H 0.715670 1.245086 0.341020 0.288 Uiso 1 1 calc R U
H12C_6 H 0.688369 1.276683 0.324901 0.288 Uiso 1 1 calc R U
N1_7 N 0.2144(3) 1.1163(2) 0.1211(2) 0.103(2) Uani 1 1 d G U
N2_7 N 0.3301(3) 1.1456(2) 0.1351(2) 0.096(2) Uani 1 1 d G U
O1_7 O 0.0999(3) 1.1308(3) 0.0387(3) 0.131(3) Uani 1 1 d DG U
O2_7 O 0.4373(3) 1.2162(3) 0.0788(3) 0.117(3) Uani 1 1 d DG U
C1_7 C 0.1547(3) 1.1007(3) 0.1165(3) 0.111(3) Uani 1 1 d G U
H1_7 H 0.138594 1.085490 0.132338 0.134 Uiso 1 1 d G U
C2_7 C 0.1160(3) 1.1061(3) 0.0894(3) 0.118(3) Uani 1 1 d G U
H2_7 H 0.074782 1.095190 0.087349 0.141 Uiso 1 1 d G U
C3_7 C 0.1403(3) 1.1282(2) 0.0654(2) 0.117(3) Uani 1 1 d DG U
C4_7 C 0.2020(3) 1.1452(2) 0.06972(19) 0.110(3) Uani 1 1 d G U
H4_7 H 0.218934 1.160585 0.054161 0.132 Uiso 1 1 d G U
C5_7 C 0.2376(3) 1.13842(17) 0.09813(17) 0.101(3) Uani 1 1 d G U
C6_7 C 0.3044(3) 1.15540(17) 0.10609(16) 0.098(3) Uani 1 1 d G U
C7_7 C 0.3370(3) 1.17904(19) 0.08566(18) 0.101(3) Uani 1 1 d G U
H7_7 H 0.317902 1.185625 0.066080 0.121 Uiso 1 1 d G U
C8_7 C 0.3995(3) 1.1927(2) 0.0954(2) 0.107(3) Uani 1 1 d DG U
C9_7 C 0.4262(3) 1.1819(3) 0.1246(2) 0.107(3) Uani 1 1 d G U
H9_7 H 0.467636 1.190226 0.131275 0.128 Uiso 1 1 d G U
C10_7 C 0.3902(3) 1.1587(3) 0.1433(2) 0.101(3) Uani 1 1 d G U
H10_7 H 0.408462 1.151659 0.162911 0.121 Uiso 1 1 d G U
C11_7 C 0.0383(3) 1.1113(5) 0.0375(4) 0.162(7) Uani 1 1 d D U
H11A_7 H 0.014723 1.115879 0.016794 0.242 Uiso 1 1 calc R U
H11B_7 H 0.034321 1.081940 0.033411 0.242 Uiso 1 1 calc R U
H11C_7 H 0.023497 1.122614 0.061390 0.242 Uiso 1 1 calc R U
C12_7 C 0.4133(4) 1.2284(4) 0.0485(3) 0.119(5) Uani 1 1 d D U
H12A_7 H 0.445858 1.245288 0.039340 0.178 Uiso 1 1 calc R U
H12B_7 H 0.393838 1.204138 0.027986 0.178 Uiso 1 1 calc R U
H12C_7 H 0.383531 1.244164 0.057264 0.178 Uiso 1 1 calc R U
N1_8 N 0.2285(3) 1.0261(2) 0.0576(2) 0.104(2) Uani 1 1 d G U
N2_8 N 0.3401(3) 1.0647(2) 0.06199(18) 0.093(2) Uani 1 1 d G U
O1_8 O 0.0888(3) 1.0192(3) -0.0206(3) 0.143(4) Uani 1 1 d DG U
O2_8 O 0.4144(3) 1.1316(3) -0.0084(2) 0.111(3) Uani 1 1 d DG U
C1_8 C 0.1716(3) 1.0061(3) 0.0580(2) 0.113(3) Uani 1 1 d G U
H1_8 H 0.163508 0.992711 0.076519 0.136 Uiso 1 1 d G U
C2_8 C 0.1245(3) 1.0042(3) 0.0324(2) 0.120(3) Uani 1 1 d G U
H2_8 H 0.085500 0.990445 0.033816 0.144 Uiso 1 1 d G U
C3_8 C 0.1368(3) 1.0236(3) 0.0044(2) 0.126(3) Uani 1 1 d DG U
C4_8 C 0.1952(3) 1.0450(2) 0.00342(18) 0.115(3) Uani 1 1 d G U
H4_8 H 0.204109 1.058658 -0.014860 0.138 Uiso 1 1 d G U
C5_8 C 0.2399(3) 1.04548(18) 0.03075(16) 0.106(3) Uani 1 1 d G U
C6_8 C 0.3044(3) 1.06782(17) 0.03317(14) 0.097(3) Uani 1 1 d G U
C7_8 C 0.3255(3) 1.08974(19) 0.00822(16) 0.098(3) Uani 1 1 d G U
H7_8 H 0.299654 1.091665 -0.011123 0.117 Uiso 1 1 d G U
C8_8 C 0.3870(3) 1.1088(2) 0.01303(18) 0.102(3) Uani 1 1 d DG U
C9_8 C 0.4241(3) 1.1050(2) 0.0420(2) 0.101(3) Uani 1 1 d G U
H9_8 H 0.465111 1.117003 0.045519 0.121 Uiso 1 1 d G U
C10_8 C 0.3990(3) 1.0830(3) 0.0655(2) 0.097(3) Uani 1 1 d G U
H10_8 H 0.424136 1.080517 0.084898 0.117 Uiso 1 1 d G U
C11_8 C 0.0969(4) 1.0387(5) -0.0498(3) 0.159(6) Uani 1 1 d D U
H11A_8 H 0.058450 1.032797 -0.065508 0.238 Uiso 1 1 calc R U
H11B_8 H 0.110916 1.068266 -0.038681 0.238 Uiso 1 1 calc R U
H11C_8 H 0.126776 1.028590 -0.065281 0.238 Uiso 1 1 calc R U
C12_8 C 0.4770(4) 1.1498(4) 0.0002(3) 0.118(5) Uani 1 1 d D U
H12A_8 H 0.490010 1.165257 -0.017815 0.178 Uiso 1 1 calc R U
H12B_8 H 0.484956 1.168259 0.025772 0.178 Uiso 1 1 calc R U
H12C_8 H 0.499289 1.128454 -0.001604 0.178 Uiso 1 1 calc R U
N1_9 N 0.1048(3) 0.7434(2) 0.1183(2) 0.105(2) Uani 1 1 d G U
N2_9 N 0.0176(4) 0.7808(2) 0.1226(2) 0.114(3) Uani 1 1 d G U
O1_9 O 0.1077(5) 0.6330(3) 0.0446(3) 0.149(4) Uani 1 1 d DG U
O2_9 O -0.1465(4) 0.7420(4) 0.0565(4) 0.173(4) Uani 1 1 d DG U
C1_9 C 0.1514(4) 0.7258(3) 0.1186(2) 0.113(3) Uani 1 1 d G U
H1_9 H 0.184995 0.739509 0.136057 0.135 Uiso 1 1 d G U
C2_9 C 0.1523(4) 0.6886(3) 0.0945(3) 0.123(3) Uani 1 1 d G U
H2_9 H 0.185245 0.677152 0.095937 0.148 Uiso 1 1 d G U
C3_9 C 0.1027(4) 0.6686(2) 0.0681(2) 0.133(3) Uani 1 1 d DG U
C4_9 C 0.0531(4) 0.6857(2) 0.0673(2) 0.127(3) Uani 1 1 d G U
H4_9 H 0.019108 0.672468 0.050139 0.153 Uiso 1 1 d G U
C5_9 C 0.0562(3) 0.72344(19) 0.09305(17) 0.117(3) Uani 1 1 d G U
C6_9 C 0.0057(3) 0.7450(2) 0.09543(19) 0.125(3) Uani 1 1 d G U
C7_9 C -0.0483(3) 0.7296(2) 0.0720(2) 0.142(4) Uani 1 1 d G U
H7_9 H -0.055374 0.704541 0.053800 0.171 Uiso 1 1 d G U
C8_9 C -0.0917(4) 0.7529(3) 0.0766(3) 0.155(4) Uani 1 1 d DG U
C9_9 C -0.0791(4) 0.7901(3) 0.1038(3) 0.145(4) Uani 1 1 d G U
H9_9 H -0.106958 0.806262 0.107082 0.174 Uiso 1 1 d G U
C10_9 C -0.0247(4) 0.8027(2) 0.1259(3) 0.130(4) Uani 1 1 d G U
H10_9 H -0.016567 0.827679 0.144112 0.156 Uiso 1 1 d G U
C11_9 C 0.1615(6) 0.6196(4) 0.0488(4) 0.172(7) Uani 1 1 d D U
H11A_9 H 0.158587 0.593515 0.029887 0.258 Uiso 1 1 calc R U
H11B_9 H 0.195897 0.639953 0.045387 0.258 Uiso 1 1 calc R U
H11C_9 H 0.167020 0.616013 0.074078 0.258 Uiso 1 1 calc R U
C12_9 C -0.1864(5) 0.7684(4) 0.0652(5) 0.197(7) Uani 1 1 d D U
H12A_9 H -0.224194 0.756506 0.048433 0.295 Uiso 1 1 calc R U
H12B_9 H -0.194820 0.771818 0.091435 0.295 Uiso 1 1 calc R U
H12C_9 H -0.167855 0.795013 0.061769 0.295 Uiso 1 1 calc R U
N1_10 N 0.2026(4) 0.7746(3) 0.0576(2) 0.138(4) Uani 1 1 d G U
N2_10 N 0.1067(4) 0.8010(2) 0.0480(2) 0.131(3) Uani 1 1 d G U
O1_10 O 0.2426(5) 0.6699(3) -0.0064(3) 0.162(4) Uani 1 1 d DG U
O2_10 O -0.0369(5) 0.7469(4) -0.0348(3) 0.188(5) Uani 1 1 d DG U
C1_10 C 0.2528(4) 0.7627(3) 0.0651(3) 0.144(4) Uani 1 1 d G U
H1_10 H 0.280227 0.779290 0.085506 0.173 Uiso 1 1 d G U
C2_10 C 0.2660(4) 0.7274(3) 0.0443(3) 0.150(4) Uani 1 1 d G U
H2_10 H 0.300987 0.719996 0.050653 0.180 Uiso 1 1 d G U
C3_10 C 0.2255(4) 0.7032(3) 0.0135(3) 0.154(4) Uani 1 1 d DG U
C4_10 C 0.1726(4) 0.7143(2) 0.0052(2) 0.146(4) Uani 1 1 d G U
H4_10 H 0.144549 0.698113 -0.015056 0.175 Uiso 1 1 d G U
C5_10 C 0.1629(4) 0.7505(2) 0.02809(19) 0.141(3) Uani 1 1 d G U
C6_10 C 0.1074(4) 0.7657(2) 0.02246(19) 0.141(3) Uani 1 1 d G U
C7_10 C 0.0611(4) 0.7454(3) -0.0063(2) 0.155(4) Uani 1 1 d G U
H7_10 H 0.062588 0.720806 -0.023240 0.186 Uiso 1 1 d G U
C8_10 C 0.0119(4) 0.7630(3) -0.0090(3) 0.167(4) Uani 1 1 d DG U
C9_10 C 0.0116(5) 0.7997(3) 0.0166(3) 0.158(4) Uani 1 1 d G U
H9_10 H -0.020208 0.812157 0.015171 0.190 Uiso 1 1 d G U
C10_10 C 0.0592(5) 0.8174(3) 0.0443(3) 0.145(4) Uani 1 1 d G U
H10_10 H 0.058707 0.842014 0.061449 0.175 Uiso 1 1 d G U
C11_10 C 0.2033(6) 0.6428(4) -0.0381(4) 0.174(7) Uani 1 1 d D U
H11A_10 H 0.221533 0.620236 -0.049631 0.261 Uiso 1 1 calc R U
H11B_10 H 0.164693 0.631983 -0.029904 0.261 Uiso 1 1 calc R U
H11C_10 H 0.196761 0.657589 -0.056524 0.261 Uiso 1 1 calc R U
C12_10 C -0.0842(5) 0.7677(5) -0.0332(4) 0.203(8) Uani 1 1 d D U
H12A_10 H -0.116389 0.752459 -0.053597 0.304 Uiso 1 1 calc R U
H12B_10 H -0.100333 0.769909 -0.008866 0.304 Uiso 1 1 calc R U
H12C_10 H -0.068625 0.795076 -0.035916 0.304 Uiso 1 1 calc R U
N1_11 N 0.6565(4) 0.9639(3) 0.2078(3) 0.119(3) Uani 1 1 d G U
N2_11 N 0.6259(4) 0.8851(3) 0.1943(3) 0.135(4) Uani 1 1 d G U
O1_11 O 0.8151(5) 1.0330(3) 0.1882(4) 0.169(4) Uani 1 1 d DG U
O2_11 O 0.7263(6) 0.8030(3) 0.1482(4) 0.177(4) Uani 1 1 d DG U
C1_11 C 0.6691(5) 1.0048(3) 0.2165(3) 0.133(4) Uani 1 1 d G U
H1_11 H 0.640269 1.018065 0.227050 0.159 Uiso 1 1 d G U
C2_11 C 0.7225(5) 1.0281(2) 0.2107(3) 0.145(4) Uani 1 1 d G U
H2_11 H 0.729835 1.056432 0.217478 0.174 Uiso 1 1 d G U
C3_11 C 0.7649(4) 1.0082(3) 0.1944(3) 0.153(4) Uani 1 1 d DG U
C4_11 C 0.7536(4) 0.9658(3) 0.1854(2) 0.144(4) Uani 1 1 d G U
H4_11 H 0.781927 0.951984 0.174919 0.173 Uiso 1 1 d G U
C5_11 C 0.6984(3) 0.9448(2) 0.1926(2) 0.132(3) Uani 1 1 d G U
C6_11 C 0.6809(3) 0.8992(2) 0.1848(2) 0.134(3) Uani 1 1 d G U
C7_11 C 0.7177(4) 0.8738(3) 0.1692(2) 0.144(4) Uani 1 1 d G U
H7_11 H 0.755688 0.884546 0.163309 0.173 Uiso 1 1 d G U
C8_11 C 0.6959(5) 0.8316(3) 0.1626(3) 0.157(4) Uani 1 1 d DG U
C9_11 C 0.6390(5) 0.8169(2) 0.1715(3) 0.150(4) Uani 1 1 d G U
H9_11 H 0.623336 0.789057 0.167053 0.180 Uiso 1 1 d G U
C10_11 C 0.6061(4) 0.8444(3) 0.1871(3) 0.143(4) Uani 1 1 d G U
H10_11 H 0.567879 0.834313 0.193077 0.172 Uiso 1 1 d G U
C11_11 C 0.8617(5) 1.0152(4) 0.1723(5) 0.195(7) Uani 1 1 d D U
H11A_11 H 0.895032 1.036709 0.169431 0.293 Uiso 1 1 calc R U
H11B_11 H 0.876269 1.000646 0.188879 0.293 Uiso 1 1 calc R U
H11C_11 H 0.845987 0.996006 0.147513 0.293 Uiso 1 1 calc R U
C12_11 C 0.6987(7) 0.7613(3) 0.1440(5) 0.199(7) Uani 1 1 d D U
H12A_11 H 0.725977 0.744335 0.133325 0.298 Uiso 1 1 calc R U
H12B_11 H 0.690128 0.757593 0.168743 0.298 Uiso 1 1 calc R U
H12C_11 H 0.661022 0.753386 0.127203 0.298 Uiso 1 1 calc R U
N1_12 N 0.5938(3) 0.9382(2) 0.1159(2) 0.105(2) Uani 1 1 d G U
N2_12 N 0.5416(3) 0.8623(2) 0.1078(2) 0.105(2) Uani 1 1 d G U
O1_12 O 0.7596(4) 0.9829(3) 0.0851(3) 0.146(4) Uani 1 1 d DG U
O2_12 O 0.6075(5) 0.7614(2) 0.0610(3) 0.140(4) Uani 1 1 d DG U
C1_12 C 0.6181(4) 0.9782(2) 0.1220(3) 0.116(3) Uani 1 1 d G U
H1_12 H 0.595948 0.996618 0.133236 0.139 Uiso 1 1 d G U
C2_12 C 0.6739(4) 0.9934(2) 0.1124(3) 0.123(4) Uani 1 1 d G U
H2_12 H 0.689473 1.021339 0.117421 0.148 Uiso 1 1 d G U
C3_12 C 0.7063(4) 0.9658(2) 0.0950(2) 0.128(3) Uani 1 1 d DG U
C4_12 C 0.6829(3) 0.9241(2) 0.0887(2) 0.115(3) Uani 1 1 d G U
H4_12 H 0.704347 0.905224 0.077516 0.138 Uiso 1 1 d G U
C5_12 C 0.6261(3) 0.9116(2) 0.09966(17) 0.108(3) Uani 1 1 d G U
C6_12 C 0.5960(3) 0.8677(2) 0.09491(17) 0.107(3) Uani 1 1 d G U
C7_12 C 0.6217(3) 0.8356(2) 0.0788(2) 0.113(3) Uani 1 1 d G U
H7_12 H 0.659563 0.840293 0.070555 0.136 Uiso 1 1 d G U
C8_12 C 0.5887(4) 0.7958(2) 0.0754(2) 0.124(3) Uani 1 1 d DG U
C9_12 C 0.5323(4) 0.7900(2) 0.0878(3) 0.121(3) Uani 1 1 d G U
H9_12 H 0.509327 0.763905 0.085463 0.145 Uiso 1 1 d G U
C10_12 C 0.5109(4) 0.8237(2) 0.1036(3) 0.112(3) Uani 1 1 d G U
H10_12 H 0.472933 0.819640 0.111931 0.134 Uiso 1 1 d G U
C11_12 C 0.7966(5) 0.9570(3) 0.0679(5) 0.182(7) Uani 1 1 d D U
H11A_12 H 0.833564 0.973523 0.062364 0.274 Uiso 1 1 calc R U
H11B_12 H 0.807072 0.941675 0.085065 0.274 Uiso 1 1 calc R U
H11C_12 H 0.774808 0.937843 0.044426 0.274 Uiso 1 1 calc R U
C12_12 C 0.6648(6) 0.7648(3) 0.0472(4) 0.150(6) Uani 1 1 d D U
H12A_12 H 0.672195 0.737480 0.037701 0.226 Uiso 1 1 calc R U
H12B_12 H 0.665454 0.777903 0.026816 0.226 Uiso 1 1 calc R U
H12C_12 H 0.696169 0.781197 0.067717 0.226 Uiso 1 1 calc R U
N1_13 N 0.3823(3) 0.4121(2) 0.21781(19) 0.094(3) Uani 1 1 d G U
N2_13 N 0.4083(3) 0.4660(2) 0.2831(2) 0.105(3) Uani 1 1 d G U
O1_13 O 0.2170(4) 0.3354(3) 0.1724(2) 0.139(4) Uani 1 1 d DG U
O2_13 O 0.2920(4) 0.4929(3) 0.3627(2) 0.148(4) Uani 1 1 d DG U
C1_13 C 0.3732(4) 0.3843(3) 0.1840(2) 0.101(3) Uani 1 1 d G U
H1_13 H 0.405702 0.382744 0.170060 0.121 Uiso 1 1 d G U
C2_13 C 0.3183(4) 0.3581(3) 0.16896(19) 0.107(3) Uani 1 1 d G U
H2_13 H 0.314030 0.338944 0.145617 0.129 Uiso 1 1 d G U
C3_13 C 0.2698(3) 0.3610(2) 0.1896(2) 0.117(3) Uani 1 1 d DG U
C4_13 C 0.2778(3) 0.3891(2) 0.22494(19) 0.106(3) Uani 1 1 d G U
H4_13 H 0.245857 0.391087 0.239366 0.127 Uiso 1 1 d G U
C5_13 C 0.3351(3) 0.41419(19) 0.23804(17) 0.102(3) Uani 1 1 d G U
C6_13 C 0.3500(3) 0.4454(2) 0.27578(18) 0.105(3) Uani 1 1 d G U
C7_13 C 0.3078(3) 0.4524(2) 0.30091(19) 0.115(3) Uani 1 1 d G U
H7_13 H 0.268115 0.437294 0.295197 0.137 Uiso 1 1 d G U
C8_13 C 0.3270(4) 0.4828(3) 0.3351(2) 0.129(3) Uani 1 1 d DG U
C9_13 C 0.3864(4) 0.5047(3) 0.3424(2) 0.124(4) Uani 1 1 d G U
H9_13 H 0.399959 0.525295 0.364734 0.148 Uiso 1 1 d G U
C10_13 C 0.4249(3) 0.4954(3) 0.3160(2) 0.115(4) Uani 1 1 d G U
H10_13 H 0.464762 0.510180 0.321071 0.138 Uiso 1 1 d G U
C11_13 C 0.1650(4) 0.3356(4) 0.1918(3) 0.181(7) Uani 1 1 d D U
H11A_13 H 0.130379 0.315569 0.175928 0.272 Uiso 1 1 calc R U
H11B_13 H 0.171907 0.328472 0.215322 0.272 Uiso 1 1 calc R U
H11C_13 H 0.156767 0.362811 0.197456 0.272 Uiso 1 1 calc R U
C12_13 C 0.2303(5) 0.4719(5) 0.3573(3) 0.162(5) Uani 1 1 d D U
H12A_13 H 0.210998 0.482579 0.379592 0.243 Uiso 1 1 calc R U
H12B_13 H 0.210206 0.476076 0.335107 0.243 Uiso 1 1 calc R U
H12C_13 H 0.227313 0.442728 0.353629 0.243 Uiso 1 1 calc R U
N1_14 N 0.4397(3) 0.3372(2) 0.23770(19) 0.093(2) Uani 1 1 d G U
N2_14 N 0.4280(3) 0.3804(2) 0.30442(19) 0.096(2) Uani 1 1 d G U
O1_14 O 0.3114(4) 0.2432(3) 0.1661(2) 0.133(4) Uani 1 1 d DG U
O2_14 O 0.2765(4) 0.3692(4) 0.3605(2) 0.148(4) Uani 1 1 d DG U
C1_14 C 0.4502(3) 0.3158(3) 0.2039(2) 0.105(3) Uani 1 1 d G U
H1_14 H 0.487995 0.322977 0.196105 0.126 Uiso 1 1 d G U
C2_14 C 0.4078(4) 0.2839(3) 0.18009(19) 0.112(3) Uani 1 1 d G U
H2_14 H 0.417046 0.269495 0.157035 0.134 Uiso 1 1 d G U
C3_14 C 0.3512(4) 0.2737(2) 0.19148(18) 0.117(3) Uani 1 1 d DG U
C4_14 C 0.3390(3) 0.2950(2) 0.22661(17) 0.107(3) Uani 1 1 d G U
H4_14 H 0.301503 0.288210 0.234920 0.128 Uiso 1 1 d G U
C5_14 C 0.3849(3) 0.32667(19) 0.24893(16) 0.102(3) Uani 1 1 d G U
C6_14 C 0.3779(3) 0.35159(19) 0.28747(17) 0.105(3) Uani 1 1 d G U
C7_14 C 0.3251(3) 0.3456(2) 0.30424(18) 0.119(3) Uani 1 1 d G U
H7_14 H 0.291510 0.325217 0.291980 0.143 Uiso 1 1 d G U
C8_14 C 0.3238(4) 0.3713(3) 0.3402(2) 0.129(3) Uani 1 1 d DG U
C9_14 C 0.3746(4) 0.4015(3) 0.35733(19) 0.121(4) Uani 1 1 d G U
H9_14 H 0.374622 0.419150 0.380974 0.145 Uiso 1 1 d G U
C10_14 C 0.4250(4) 0.4048(3) 0.3387(2) 0.109(3) Uani 1 1 d G U
H10_14 H 0.458944 0.425156 0.350370 0.131 Uiso 1 1 d G U
C11_14 C 0.2525(5) 0.2300(4) 0.1757(3) 0.144(6) Uani 1 1 d D U
H11A_14 H 0.228934 0.207830 0.154694 0.215 Uiso 1 1 calc R U
H11B_14 H 0.255204 0.220306 0.198171 0.215 Uiso 1 1 calc R U
H11C_14 H 0.232830 0.252906 0.180879 0.215 Uiso 1 1 calc R U
C12_14 C 0.2225(4) 0.3390(5) 0.3447(3) 0.173(7) Uani 1 1 d D U
H12A_14 H 0.192402 0.341118 0.362550 0.260 Uiso 1 1 calc R U
H12B_14 H 0.207102 0.343147 0.321173 0.260 Uiso 1 1 calc R U
H12C_14 H 0.230977 0.311803 0.339528 0.260 Uiso 1 1 calc R U
N1_15 N 0.8306(3) 0.3859(2) 0.41781(16) 0.083(3) Uani 1 1 d G U
N2_15 N 0.7507(3) 0.42511(19) 0.44460(17) 0.076(2) Uani 1 1 d G U
O1_15 O 0.9047(4) 0.3092(3) 0.4638(3) 0.129(3) Uani 1 1 d DG U
O2_15 O 0.6712(4) 0.4229(3) 0.5420(2) 0.129(3) Uani 1 1 d DG U
C1_15 C 0.8729(3) 0.3676(2) 0.40242(19) 0.093(3) Uani 1 1 d G U
H1_15 H 0.885417 0.372075 0.380047 0.111 Uiso 1 1 d G U
C2_15 C 0.8986(3) 0.3425(2) 0.4180(2) 0.106(3) Uani 1 1 d G U
H2_15 H 0.928328 0.330700 0.406677 0.127 Uiso 1 1 d G U
C3_15 C 0.8791(3) 0.3353(2) 0.4510(2) 0.113(3) Uani 1 1 d DG U
C4_15 C 0.8358(3) 0.35424(18) 0.46797(17) 0.102(3) Uani 1 1 d G U
H4_15 H 0.822796 0.350200 0.490388 0.123 Uiso 1 1 d G U
C5_15 C 0.8127(2) 0.37946(16) 0.45030(14) 0.089(2) Uani 1 1 d G U
C6_15 C 0.7664(2) 0.40202(16) 0.46584(14) 0.086(2) Uani 1 1 d G U
C7_15 C 0.7421(3) 0.39953(19) 0.49901(15) 0.101(3) Uani 1 1 d G U
H7_15 H 0.754376 0.383680 0.513247 0.121 Uiso 1 1 d G U
C8_15 C 0.6985(3) 0.4216(2) 0.51037(18) 0.114(3) Uani 1 1 d DG U
C9_15 C 0.6812(3) 0.4446(2) 0.4882(2) 0.105(3) Uani 1 1 d G U
H9_15 H 0.651959 0.459105 0.494968 0.126 Uiso 1 1 d G U
C10_15 C 0.7082(3) 0.4454(2) 0.4561(2) 0.091(3) Uani 1 1 d G U
H10_15 H 0.696389 0.460960 0.441327 0.109 Uiso 1 1 d G U
C11_15 C 0.8888(6) 0.3010(4) 0.4981(3) 0.154(6) Uani 1 1 d D U
H11A_15 H 0.910815 0.281650 0.503793 0.232 Uiso 1 1 calc R U
H11B_15 H 0.899337 0.326459 0.518585 0.232 Uiso 1 1 calc R U
H11C_15 H 0.845417 0.289241 0.495711 0.232 Uiso 1 1 calc R U
C12_15 C 0.6853(6) 0.3991(4) 0.5656(3) 0.160(6) Uani 1 1 d D U
H12A_15 H 0.662151 0.403102 0.587329 0.240 Uiso 1 1 calc R U
H12B_15 H 0.674845 0.370160 0.551394 0.240 Uiso 1 1 calc R U
H12C_15 H 0.728417 0.407523 0.574455 0.240 Uiso 1 1 calc R U
N1_16 N 0.9285(2) 0.47621(18) 0.44088(12) 0.0653(19) Uani 1 1 d G U
N2_16 N 0.8530(2) 0.52085(18) 0.46357(15) 0.070(2) Uani 1 1 d G U
O1_16 O 1.0071(3) 0.4121(2) 0.5004(2) 0.102(3) Uani 1 1 d DG U
O2_16 O 0.7863(3) 0.5418(2) 0.56674(19) 0.119(3) Uani 1 1 d DG U
C1_16 C 0.9683(3) 0.4546(2) 0.42719(14) 0.069(3) Uani 1 1 d G U
H1_16 H 0.978021 0.453643 0.402915 0.083 Uiso 1 1 d G U
C2_16 C 0.9956(3) 0.43368(19) 0.44717(17) 0.077(3) Uani 1 1 d G U
H2_16 H 1.023556 0.419396 0.436840 0.093 Uiso 1 1 d G U
C3_16 C 0.9803(2) 0.43454(17) 0.48308(16) 0.084(2) Uani 1 1 d DG U
C4_16 C 0.9397(2) 0.45712(15) 0.49835(13) 0.073(2) Uani 1 1 d G U
H4_16 H 0.929531 0.458495 0.522598 0.088 Uiso 1 1 d G U
C5_16 C 0.91470(19) 0.47760(14) 0.47611(12) 0.069(2) Uani 1 1 d G U
C6_16 C 0.8710(2) 0.50334(14) 0.48931(12) 0.072(2) Uani 1 1 d G U
C7_16 C 0.8510(2) 0.50877(17) 0.52469(13) 0.084(3) Uani 1 1 d G U
H7_16 H 0.864800 0.496634 0.541964 0.101 Uiso 1 1 d G U
C8_16 C 0.8094(3) 0.53307(19) 0.53358(17) 0.096(3) Uani 1 1 d DG U
C9_16 C 0.7896(3) 0.55033(19) 0.5070(2) 0.091(3) Uani 1 1 d G U
H9_16 H 0.761574 0.566206 0.512055 0.109 Uiso 1 1 d G U
C10_16 C 0.8124(3) 0.5435(2) 0.47284(19) 0.080(3) Uani 1 1 d G U
H10_16 H 0.798943 0.555239 0.455103 0.097 Uiso 1 1 d G U
C11_16 C 0.9952(5) 0.4120(4) 0.5377(2) 0.151(6) Uani 1 1 d D U
H11A_16 H 1.017574 0.394472 0.546460 0.226 Uiso 1 1 calc R U
H11B_16 H 1.007770 0.439824 0.554359 0.226 Uiso 1 1 calc R U
H11C_16 H 0.951930 0.401456 0.537905 0.226 Uiso 1 1 calc R U
C12_16 C 0.8039(5) 0.5250(4) 0.5955(2) 0.130(4) Uani 1 1 d D U
H12A_16 H 0.783585 0.533971 0.617729 0.195 Uiso 1 1 calc R U
H12B_16 H 0.792752 0.495122 0.586307 0.195 Uiso 1 1 calc R U
H12C_16 H 0.847646 0.534237 0.602202 0.195 Uiso 1 1 calc R U
N1_17 N 0.8421(5) 0.7260(2) 0.3317(2) 0.119(3) Uani 1 1 d G U
N2_17 N 0.7897(5) 0.7090(2) 0.3881(3) 0.129(3) Uani 1 1 d G U
O1_17 O 0.9076(6) 0.8400(3) 0.3178(3) 0.162(4) Uani 1 1 d DG U
O2_17 O 0.7554(7) 0.7910(4) 0.4826(3) 0.201(5) Uani 1 1 d DG U
C1_17 C 0.8674(5) 0.7319(3) 0.3011(3) 0.135(4) Uani 1 1 d G U
H1_17 H 0.871008 0.709171 0.282374 0.162 Uiso 1 1 d G U
C2_17 C 0.8884(5) 0.7699(3) 0.2959(3) 0.144(4) Uani 1 1 d G U
H2_17 H 0.905096 0.772729 0.274097 0.173 Uiso 1 1 d G U
C3_17 C 0.8840(4) 0.8038(3) 0.3242(3) 0.148(4) Uani 1 1 d DG U
C4_17 C 0.8572(4) 0.7988(2) 0.3561(2) 0.140(4) Uani 1 1 d G U
H4_17 H 0.853150 0.821135 0.375100 0.167 Uiso 1 1 d G U
C5_17 C 0.8368(3) 0.7591(2) 0.3587(2) 0.132(3) Uani 1 1 d G U
C6_17 C 0.8066(4) 0.7494(2) 0.3914(2) 0.142(3) Uani 1 1 d G U
C7_17 C 0.7968(4) 0.7790(3) 0.4221(2) 0.164(4) Uani 1 1 d G U
H7_17 H 0.808385 0.806586 0.423355 0.197 Uiso 1 1 d G U
C8_17 C 0.7689(5) 0.7662(3) 0.4512(3) 0.180(4) Uani 1 1 d DG U
C9_17 C 0.7527(6) 0.7249(3) 0.4484(3) 0.168(4) Uani 1 1 d G U
H9_17 H 0.734669 0.715698 0.467468 0.202 Uiso 1 1 d G U
C10_17 C 0.7637(6) 0.6978(3) 0.4167(3) 0.149(4) Uani 1 1 d G U
H10_17 H 0.752704 0.670141 0.415008 0.179 Uiso 1 1 d G U
C11_17 C 0.9038(8) 0.8765(3) 0.3448(4) 0.177(7) Uani 1 1 d D U
H11A_17 H 0.922637 0.900121 0.336446 0.265 Uiso 1 1 calc R U
H11B_17 H 0.861364 0.876412 0.347573 0.265 Uiso 1 1 calc R U
H11C_17 H 0.924682 0.877969 0.369145 0.265 Uiso 1 1 calc R U
C12_17 C 0.7709(9) 0.8339(4) 0.4877(4) 0.219(8) Uani 1 1 d D U
H12A_17 H 0.758397 0.847764 0.511563 0.329 Uiso 1 1 calc R U
H12B_17 H 0.814604 0.843093 0.488148 0.329 Uiso 1 1 calc R U
H12C_17 H 0.750463 0.840285 0.466851 0.329 Uiso 1 1 calc R U
N1_18 N 0.7196(5) 0.7123(2) 0.2742(3) 0.130(3) Uani 1 1 d G U
N2_18 N 0.6528(5) 0.6989(2) 0.3263(3) 0.127(3) Uani 1 1 d G U
O1_18 O 0.7658(6) 0.8188(3) 0.2430(3) 0.153(4) Uani 1 1 d DG U
O2_18 O 0.5712(6) 0.7804(4) 0.3953(3) 0.183(5) Uani 1 1 d DG U
C1_18 C 0.7535(5) 0.7162(3) 0.2462(3) 0.136(4) Uani 1 1 d G U
H1_18 H 0.767769 0.693925 0.233636 0.163 Uiso 1 1 d G U
C2_18 C 0.7682(5) 0.7515(3) 0.2352(3) 0.142(4) Uani 1 1 d G U
H2_18 H 0.791175 0.752833 0.215357 0.171 Uiso 1 1 d G U
C3_18 C 0.7477(4) 0.7849(3) 0.2544(3) 0.144(3) Uani 1 1 d DG U
C4_18 C 0.7118(4) 0.7817(2) 0.2833(2) 0.140(4) Uani 1 1 d G U
H4_18 H 0.696981 0.803609 0.296163 0.168 Uiso 1 1 d G U
C5_18 C 0.6988(3) 0.7446(2) 0.2923(2) 0.134(3) Uani 1 1 d G U
C6_18 C 0.6602(4) 0.7370(2) 0.3225(2) 0.138(3) Uani 1 1 d G U
C7_18 C 0.6344(4) 0.7663(2) 0.3444(2) 0.155(4) Uani 1 1 d G U
H7_18 H 0.639855 0.792166 0.340764 0.186 Uiso 1 1 d G U
C8_18 C 0.5999(5) 0.7558(3) 0.3721(3) 0.167(4) Uani 1 1 d DG U
C9_18 C 0.5933(5) 0.7170(3) 0.3767(3) 0.158(4) Uani 1 1 d G U
H9_18 H 0.571121 0.709469 0.395158 0.190 Uiso 1 1 d G U
C10_18 C 0.6201(5) 0.6900(3) 0.3535(3) 0.144(4) Uani 1 1 d G U
H10_18 H 0.615378 0.664039 0.356725 0.173 Uiso 1 1 d G U
C11_18 C 0.7459(8) 0.8543(3) 0.2607(4) 0.157(6) Uani 1 1 d D U
H11A_18 H 0.762443 0.876314 0.249556 0.235 Uiso 1 1 calc R U
H11B_18 H 0.701764 0.848249 0.256977 0.235 Uiso 1 1 calc R U
H11C_18 H 0.759677 0.862828 0.287711 0.235 Uiso 1 1 calc R U
C12_18 C 0.5762(8) 0.8208(4) 0.3924(5) 0.198(7) Uani 1 1 d D U
H12A_18 H 0.553178 0.834879 0.410847 0.297 Uiso 1 1 calc R U
H12B_18 H 0.618656 0.835528 0.397363 0.297 Uiso 1 1 calc R U
H12C_18 H 0.560258 0.819691 0.366944 0.297 Uiso 1 1 calc R U
N1_19 N 0.5938(3) 0.49079(17) 0.03795(15) 0.080(2) Uani 1 1 d G U
N2_19 N 0.6500(3) 0.56690(17) 0.06473(13) 0.080(3) Uani 1 1 d G U
O1_19 O 0.5054(3) 0.43426(18) -0.06871(17) 0.092(3) Uani 1 1 d DG U
O2_19 O 0.6699(4) 0.65624(17) 0.0089(2) 0.102(3) Uani 1 1 d DG U
C1_19 C 0.5646(3) 0.45129(17) 0.02674(18) 0.080(3) Uani 1 1 d G U
H1_19 H 0.564987 0.435880 0.043774 0.096 Uiso 1 1 d G U
C2_19 C 0.5340(3) 0.43237(15) -0.00864(18) 0.083(3) Uani 1 1 d G U
H2_19 H 0.513739 0.405027 -0.015210 0.100 Uiso 1 1 d G U
C3_19 C 0.5344(2) 0.45524(16) -0.03418(15) 0.084(3) Uani 1 1 d DG U
C4_19 C 0.5636(2) 0.49645(15) -0.02332(13) 0.077(3) Uani 1 1 d G U
H4_19 H 0.563561 0.512381 -0.039929 0.092 Uiso 1 1 d G U
C5_19 C 0.5929(2) 0.51306(15) 0.01323(12) 0.076(2) Uani 1 1 d G U
C6_19 C 0.6254(2) 0.55707(15) 0.02860(12) 0.079(2) Uani 1 1 d G U
C7_19 C 0.6298(2) 0.58513(15) 0.00772(14) 0.088(3) Uani 1 1 d G U
H7_19 H 0.611787 0.577493 -0.017014 0.105 Uiso 1 1 d G U
C8_19 C 0.6622(3) 0.62531(16) 0.02502(17) 0.093(3) Uani 1 1 d DG U
C9_19 C 0.6887(3) 0.63535(17) 0.06180(17) 0.091(3) Uani 1 1 d G U
H9_19 H 0.710914 0.661677 0.073724 0.109 Uiso 1 1 d G U
C10_19 C 0.6815(3) 0.60559(18) 0.08029(15) 0.085(3) Uani 1 1 d G U
H10_19 H 0.699340 0.612554 0.104995 0.102 Uiso 1 1 d G U
C11_19 C 0.4783(5) 0.39207(19) -0.0758(3) 0.121(6) Uani 1 1 d D U
H11A_19 H 0.459240 0.381174 -0.101892 0.182 Uiso 1 1 calc R U
H11B_19 H 0.509159 0.377485 -0.071851 0.182 Uiso 1 1 calc R U
H11C_19 H 0.447775 0.388432 -0.058580 0.182 Uiso 1 1 calc R U
C12_19 C 0.6438(6) 0.6484(3) -0.0288(2) 0.110(5) Uani 1 1 d D U
H12A_19 H 0.653143 0.673562 -0.036648 0.165 Uiso 1 1 calc R U
H12B_19 H 0.660166 0.627504 -0.045522 0.165 Uiso 1 1 calc R U
H12C_19 H 0.599989 0.638722 -0.030287 0.165 Uiso 1 1 calc R U
N1_20 N 0.7003(3) 0.4415(2) 0.00888(16) 0.093(2) Uani 1 1 d G U
N2_20 N 0.7546(3) 0.5182(2) 0.02515(16) 0.106(3) Uani 1 1 d G U
O1_20 O 0.6149(4) 0.3676(2) -0.0942(2) 0.126(3) Uani 1 1 d DG U
O2_20 O 0.7737(5) 0.5911(2) -0.0472(3) 0.137(3) Uani 1 1 d DG U
C1_20 C 0.6721(4) 0.4022(2) 0.0032(2) 0.099(3) Uani 1 1 d G U
H1_20 H 0.672495 0.391063 0.023436 0.119 Uiso 1 1 d G U
C2_20 C 0.6425(3) 0.3775(2) -0.0310(2) 0.108(3) Uani 1 1 d G U
H2_20 H 0.622846 0.350564 -0.033713 0.130 Uiso 1 1 d G U
C3_20 C 0.6428(3) 0.3940(2) -0.06128(19) 0.115(3) Uani 1 1 d DG U
C4_20 C 0.6710(3) 0.4348(2) -0.05627(15) 0.108(3) Uani 1 1 d G U
H4_20 H 0.670999 0.446564 -0.076142 0.130 Uiso 1 1 d G U
C5_20 C 0.6994(3) 0.4576(2) -0.02049(14) 0.103(3) Uani 1 1 d G U
C6_20 C 0.7308(3) 0.5019(2) -0.01120(15) 0.106(3) Uani 1 1 d G U
C7_20 C 0.7350(3) 0.5242(2) -0.03744(17) 0.114(3) Uani 1 1 d G U
H7_20 H 0.717557 0.512160 -0.062207 0.137 Uiso 1 1 d G U
C8_20 C 0.7663(4) 0.5653(2) -0.0255(2) 0.123(3) Uani 1 1 d DG U
C9_20 C 0.7920(4) 0.5819(2) 0.0115(2) 0.121(3) Uani 1 1 d G U
H9_20 H 0.813503 0.608936 0.020016 0.145 Uiso 1 1 d G U
C10_20 C 0.7850(4) 0.5575(2) 0.03552(19) 0.114(3) Uani 1 1 d G U
H10_20 H 0.802354 0.568906 0.060375 0.136 Uiso 1 1 d G U
C11_20 C 0.6119(6) 0.3821(3) -0.1266(2) 0.159(6) Uani 1 1 d D U
H11A_20 H 0.590516 0.359637 -0.148216 0.238 Uiso 1 1 calc R U
H11B_20 H 0.590315 0.403984 -0.121978 0.238 Uiso 1 1 calc R U
H11C_20 H 0.652776 0.392546 -0.132072 0.238 Uiso 1 1 calc R U
C12_20 C 0.7492(7) 0.5763(3) -0.0857(3) 0.160(6) Uani 1 1 d D U
H12A_20 H 0.758088 0.598422 -0.097821 0.240 Uiso 1 1 calc R U
H12B_20 H 0.767049 0.554022 -0.098552 0.240 Uiso 1 1 calc R U
H12C_20 H 0.705431 0.566188 -0.087412 0.240 Uiso 1 1 calc R U
N1_21 N 0.7795(3) 0.2348(2) 0.18483(18) 0.095(2) Uani 1 1 d G U
N2_21 N 0.6766(3) 0.23380(19) 0.15112(19) 0.085(2) Uani 1 1 d G U
O1_21 O 0.8818(4) 0.1500(3) 0.1551(3) 0.153(4) Uani 1 1 d DG U
O2_21 O 0.5820(4) 0.1471(3) 0.0562(2) 0.124(4) Uani 1 1 d DG U
C1_21 C 0.8318(3) 0.2372(2) 0.2045(2) 0.111(3) Uani 1 1 d G U
H1_21 H 0.845906 0.259404 0.225575 0.133 Uiso 1 1 d G U
C2_21 C 0.8657(3) 0.2086(3) 0.1951(2) 0.122(3) Uani 1 1 d G U
H2_21 H 0.901379 0.211151 0.209736 0.147 Uiso 1 1 d G U
C3_21 C 0.8451(3) 0.1759(3) 0.1633(2) 0.132(3) Uani 1 1 d DG U
C4_21 C 0.7906(3) 0.1722(2) 0.1425(2) 0.121(3) Uani 1 1 d G U
H4_21 H 0.775711 0.150174 0.121429 0.146 Uiso 1 1 d G U
C5_21 C 0.7591(3) 0.20250(17) 0.15438(16) 0.105(3) Uani 1 1 d G U
C6_21 C 0.6997(3) 0.20186(16) 0.13479(15) 0.096(3) Uani 1 1 d G U
C7_21 C 0.6709(3) 0.17129(18) 0.10291(16) 0.101(3) Uani 1 1 d G U
H7_21 H 0.687693 0.149417 0.092558 0.121 Uiso 1 1 d G U
C8_21 C 0.6159(3) 0.1744(2) 0.08677(19) 0.108(3) Uani 1 1 d DG U
C9_21 C 0.5927(3) 0.2076(2) 0.1029(2) 0.101(3) Uani 1 1 d G U
H9_21 H 0.556573 0.210509 0.092478 0.122 Uiso 1 1 d G U
C10_21 C 0.6241(3) 0.2361(2) 0.1346(2) 0.090(3) Uani 1 1 d G U
H10_21 H 0.608245 0.258312 0.145312 0.108 Uiso 1 1 d G U
C11_21 C 0.9366(5) 0.1584(4) 0.1788(4) 0.188(7) Uani 1 1 d D U
H11A_21 H 0.958303 0.137087 0.169372 0.281 Uiso 1 1 calc R U
H11B_21 H 0.961540 0.184945 0.178793 0.281 Uiso 1 1 calc R U
H11C_21 H 0.927764 0.158834 0.204513 0.281 Uiso 1 1 calc R U
C12_21 C 0.6030(5) 0.1124(3) 0.0377(3) 0.139(6) Uani 1 1 d D U
H12A_21 H 0.573781 0.095542 0.016166 0.209 Uiso 1 1 calc R U
H12B_21 H 0.641850 0.121381 0.028741 0.209 Uiso 1 1 calc R U
H12C_21 H 0.608049 0.096412 0.055304 0.209 Uiso 1 1 calc R U
N1_22 N 0.8668(4) 0.2697(2) 0.12264(19) 0.111(3) Uani 1 1 d G U
N2_22 N 0.7641(3) 0.2643(2) 0.0860(2) 0.095(2) Uani 1 1 d G U
O1_22 O 0.9835(4) 0.1946(4) 0.0939(3) 0.167(4) Uani 1 1 d DG U
O2_22 O 0.6844(4) 0.1788(3) -0.0136(2) 0.147(4) Uani 1 1 d DG U
C1_22 C 0.9185(4) 0.2742(3) 0.1438(2) 0.130(4) Uani 1 1 d G U
H1_22 H 0.928822 0.295639 0.165805 0.156 Uiso 1 1 d G U
C2_22 C 0.9572(4) 0.2488(3) 0.1347(2) 0.142(4) Uani 1 1 d G U
H2_22 H 0.992401 0.252630 0.150380 0.171 Uiso 1 1 d G U
C3_22 C 0.9423(4) 0.2173(3) 0.1016(3) 0.149(4) Uani 1 1 d DG U
C4_22 C 0.8886(3) 0.2114(2) 0.0792(2) 0.137(4) Uani 1 1 d G U
H4_22 H 0.877434 0.190096 0.057179 0.164 Uiso 1 1 d G U
C5_22 C 0.8519(3) 0.23852(19) 0.09087(17) 0.119(3) Uani 1 1 d G U
C6_22 C 0.7926(3) 0.23533(18) 0.06959(17) 0.110(3) Uani 1 1 d G U
C7_22 C 0.7691(3) 0.2054(2) 0.03619(18) 0.120(3) Uani 1 1 d G U
H7_22 H 0.789605 0.185543 0.025803 0.144 Uiso 1 1 d G U
C8_22 C 0.7136(3) 0.2059(2) 0.0186(2) 0.127(3) Uani 1 1 d DG U
C9_22 C 0.6848(3) 0.2361(3) 0.0348(2) 0.119(3) Uani 1 1 d G U
H9_22 H 0.648295 0.237378 0.023490 0.143 Uiso 1 1 d G U
C10_22 C 0.7113(4) 0.2643(3) 0.0681(2) 0.106(3) Uani 1 1 d G U
H10_22 H 0.691691 0.284446 0.078865 0.128 Uiso 1 1 d G U
C11_22 C 0.9714(6) 0.1611(4) 0.0608(4) 0.201(8) Uani 1 1 d D U
H11A_22 H 1.004980 0.147593 0.058926 0.302 Uiso 1 1 calc R U
H11B_22 H 0.934296 0.141571 0.062207 0.302 Uiso 1 1 calc R U
H11C_22 H 0.966416 0.170907 0.038625 0.302 Uiso 1 1 calc R U
C12_22 C 0.7114(5) 0.1470(4) -0.0321(3) 0.162(5) Uani 1 1 d D U
H12A_22 H 0.685108 0.129794 -0.054845 0.244 Uiso 1 1 calc R U
H12B_22 H 0.750494 0.158854 -0.039024 0.244 Uiso 1 1 calc R U
H12C_22 H 0.717046 0.130353 -0.015125 0.244 Uiso 1 1 calc R U
N1_23 N 1.0972(3) 0.6142(2) 0.2568(2) 0.100(3) Uani 1 1 d G U
N2_23 N 1.1319(3) 0.5527(2) 0.2702(2) 0.090(2) Uani 1 1 d G U
O1_23 O 1.2022(4) 0.7128(2) 0.2309(3) 0.135(4) Uani 1 1 d DG U
O2_23 O 1.3037(4) 0.5332(3) 0.2694(4) 0.156(4) Uani 1 1 d DG U
C1_23 C 1.0757(3) 0.6453(2) 0.2511(3) 0.107(3) Uani 1 1 d G U
H1_23 H 1.034918 0.644220 0.252654 0.129 Uiso 1 1 d G U
C2_23 C 1.1107(4) 0.6787(2) 0.2431(3) 0.115(3) Uani 1 1 d G U
H2_23 H 1.094225 0.699888 0.239802 0.139 Uiso 1 1 d G U
C3_23 C 1.1712(4) 0.6799(2) 0.2402(2) 0.120(3) Uani 1 1 d DG U
C4_23 C 1.1952(3) 0.64843(19) 0.2464(2) 0.116(3) Uani 1 1 d G U
H4_23 H 1.235869 0.649010 0.245019 0.139 Uiso 1 1 d G U
C5_23 C 1.1563(3) 0.61598(18) 0.25462(17) 0.106(3) Uani 1 1 d G U
C6_23 C 1.1765(3) 0.58040(19) 0.26230(18) 0.107(3) Uani 1 1 d G U
C7_23 C 1.2356(3) 0.5764(2) 0.2615(2) 0.126(3) Uani 1 1 d G U
H7_23 H 1.265466 0.596269 0.256402 0.151 Uiso 1 1 d G U
C8_23 C 1.2488(3) 0.5414(2) 0.2686(3) 0.136(3) Uani 1 1 d DG U
C9_23 C 1.2028(4) 0.5124(2) 0.2758(3) 0.124(3) Uani 1 1 d G U
H9_23 H 1.210376 0.488751 0.280203 0.148 Uiso 1 1 d G U
C10_23 C 1.1459(4) 0.5192(2) 0.2763(3) 0.104(3) Uani 1 1 d G U
H10_23 H 1.115332 0.499600 0.281207 0.125 Uiso 1 1 d G U
C11_23 C 1.1710(6) 0.7422(3) 0.2248(4) 0.148(6) Uani 1 1 d D U
H11A_23 H 1.199135 0.764126 0.218346 0.221 Uiso 1 1 calc R U
H11B_23 H 1.138553 0.729053 0.204143 0.221 Uiso 1 1 calc R U
H11C_23 H 1.153898 0.753555 0.247838 0.221 Uiso 1 1 calc R U
C12_23 C 1.3532(4) 0.5614(4) 0.2620(5) 0.167(7) Uani 1 1 d D U
H12A_23 H 1.389871 0.551431 0.263547 0.250 Uiso 1 1 calc R U
H12B_23 H 1.345186 0.564333 0.236665 0.250 Uiso 1 1 calc R U
H12C_23 H 1.358513 0.587992 0.280618 0.250 Uiso 1 1 calc R U
N1_24 N 1.0832(2) 0.5513(2) 0.1682(2) 0.078(2) Uani 1 1 d G U
N2_24 N 1.0986(3) 0.48409(19) 0.1806(2) 0.086(2) Uani 1 1 d G U
O1_24 O 1.2094(4) 0.6385(2) 0.1396(3) 0.115(3) Uani 1 1 d DG U
O2_24 O 1.2547(4) 0.4424(3) 0.1754(3) 0.133(3) Uani 1 1 d DG U
C1_24 C 1.0716(3) 0.5857(2) 0.1631(3) 0.087(3) Uani 1 1 d G U
H1_24 H 1.032983 0.589779 0.165697 0.105 Uiso 1 1 d G U
C2_24 C 1.1139(3) 0.6153(2) 0.1542(2) 0.095(3) Uani 1 1 d G U
H2_24 H 1.104273 0.639028 0.151335 0.114 Uiso 1 1 d G U
C3_24 C 1.1711(3) 0.60887(18) 0.1497(2) 0.103(3) Uani 1 1 d DG U
C4_24 C 1.1849(2) 0.57369(17) 0.15523(19) 0.096(3) Uani 1 1 d G U
H4_24 H 1.223257 0.569114 0.152817 0.115 Uiso 1 1 d G U
C5_24 C 1.1392(2) 0.54553(16) 0.16448(15) 0.089(2) Uani 1 1 d G U
C6_24 C 1.1483(2) 0.50670(17) 0.17160(16) 0.094(2) Uani 1 1 d G U
C7_24 C 1.2027(2) 0.49508(19) 0.1693(2) 0.108(3) Uani 1 1 d G U
H7_24 H 1.236354 0.511579 0.163398 0.129 Uiso 1 1 d G U
C8_24 C 1.2053(3) 0.4577(2) 0.1760(3) 0.118(3) Uani 1 1 d DG U
C9_24 C 1.1541(3) 0.4340(2) 0.1844(3) 0.111(3) Uani 1 1 d G U
H9_24 H 1.154556 0.408910 0.188566 0.133 Uiso 1 1 d G U
C10_24 C 1.1025(3) 0.4482(2) 0.1864(3) 0.099(3) Uani 1 1 d G U
H10_24 H 1.068220 0.432062 0.192059 0.119 Uiso 1 1 d G U
C11_24 C 1.1884(5) 0.6723(3) 0.1343(4) 0.134(4) Uani 1 1 d D U
H11A_24 H 1.220972 0.691091 0.127083 0.201 Uiso 1 1 calc R U
H11B_24 H 1.154449 0.662641 0.114308 0.201 Uiso 1 1 calc R U
H11C_24 H 1.175144 0.686523 0.157788 0.201 Uiso 1 1 calc R U
C12_24 C 1.3091(4) 0.4649(4) 0.1666(5) 0.150(6) Uani 1 1 d D U
H12A_24 H 1.340762 0.449990 0.167262 0.225 Uiso 1 1 calc R U
H12B_24 H 1.302611 0.468420 0.141449 0.225 Uiso 1 1 calc R U
H12C_24 H 1.321326 0.491672 0.185232 0.225 Uiso 1 1 calc R U
Cl1_25 Cl 0.2556(4) 0.2617(3) 0.0611(3) 0.188(3) Uani 1 1 d G U
O1_25 O 0.3095(6) 0.2829(5) 0.0865(5) 0.190(6) Uani 1 1 d G U
O2_25 O 0.2099(6) 0.2446(5) 0.0816(5) 0.194(6) Uani 1 1 d G U
O3_25 O 0.2343(7) 0.2899(5) 0.0444(5) 0.197(6) Uani 1 1 d G U
O4_25 O 0.2688(8) 0.2294(5) 0.0318(4) 0.211(6) Uani 1 1 d G U
Cl1_26 Cl 0.9302(3) 0.3582(2) 0.1005(2) 0.164(2) Uani 1 1 d G U
O1_26 O 0.9703(6) 0.3717(5) 0.1351(3) 0.195(6) Uani 1 1 d G U
O2_26 O 0.9428(7) 0.3218(4) 0.0766(4) 0.196(6) Uani 1 1 d G U
O3_26 O 0.8686(4) 0.3495(5) 0.1089(4) 0.148(3) Uani 1 1 d G U
O4_26 O 0.9390(7) 0.3899(4) 0.0815(5) 0.183(5) Uani 1 1 d G U
Cl1_27 Cl 0.5084(4) 0.6031(2) 0.3832(2) 0.180(3) Uani 1 1 d G U
O1_27 O 0.5263(8) 0.5653(4) 0.3802(5) 0.197(6) Uani 1 1 d G U
O2_27 O 0.4520(6) 0.6015(5) 0.3991(5) 0.199(6) Uani 1 1 d G U
O3_27 O 0.5540(6) 0.6365(4) 0.4071(4) 0.206(6) Uani 1 1 d G U
O4_27 O 0.5013(9) 0.6091(5) 0.3462(3) 0.198(6) Uani 1 1 d G U
Cl1_28 Cl 0.1094(3) 0.5569(2) 0.40065(16) 0.138(2) Uani 1 1 d G U
O1_28 O 0.0729(6) 0.5861(4) 0.4024(4) 0.187(5) Uani 1 1 d G U
O2_28 O 0.1606(5) 0.5740(4) 0.4290(3) 0.174(5) Uani 1 1 d G U
O3_28 O 0.0740(6) 0.5203(3) 0.4072(3) 0.155(5) Uani 1 1 d G U
O4_28 O 0.1299(6) 0.5469(4) 0.3639(2) 0.167(5) Uani 1 1 d G U
Cl1_29 Cl 0.7136(4) 0.2836(2) 0.52131(19) 0.168(3) Uani 1 1 d G U
O1_29 O 0.7382(8) 0.2480(4) 0.5111(4) 0.207(6) Uani 1 1 d G U
O2_29 O 0.6724(6) 0.2833(4) 0.4903(3) 0.181(5) Uani 1 1 d G U
O3_29 O 0.6818(7) 0.2831(5) 0.5539(3) 0.182(5) Uani 1 1 d G U
O4_29 O 0.7618(6) 0.3199(4) 0.5298(4) 0.197(6) Uani 1 1 d G U
Cl1_30 Cl 0.4376(2) 0.45615(16) 0.10995(13) 0.1026(15) Uani 1 1 d G U
O1_30 O 0.4797(4) 0.4857(3) 0.1397(2) 0.134(4) Uani 1 1 d G U
O2_30 O 0.4109(5) 0.4216(2) 0.1230(3) 0.123(4) Uani 1 1 d G U
O3_30 O 0.3910(4) 0.4745(3) 0.0993(3) 0.127(4) Uani 1 1 d G U
O4_30 O 0.4688(4) 0.4428(3) 0.0778(2) 0.122(4) Uani 1 1 d G U
O1_31 O 0.1599(5) 1.0494(4) 0.3363(4) 0.096(2) Uani 1 1 d . U
O2_31 O 0.1231(5) 0.9832(4) 0.3359(4) 0.094(2) Uani 1 1 d . U
O3_31 O 0.2589(6) 0.8992(4) 0.3562(4) 0.091(2) Uani 1 1 d . U
O4_31 O 0.3592(5) 0.9257(4) 0.3677(4) 0.090(2) Uani 1 1 d . U
O5_31 O 0.4391(6) 1.0669(4) 0.3674(4) 0.098(2) Uani 1 1 d . U
O6_31 O 0.3761(5) 1.1075(4) 0.3633(3) 0.088(2) Uani 1 1 d . U
C1_31 C 0.1670(8) 1.0137(7) 0.3378(6) 0.090(2) Uani 1 1 d . U
C2_31 C 0.3032(9) 0.9275(6) 0.3597(6) 0.088(2) Uani 1 1 d . U
C3_31 C 0.3879(9) 1.0743(6) 0.3652(6) 0.090(2) Uani 1 1 d . U
C4_31 C 0.2281(8) 1.0099(6) 0.3497(6) 0.086(2) Uani 1 1 d . U
C5_31 C 0.2380(8) 0.9731(6) 0.3527(5) 0.084(3) Uani 1 1 d . U
H5_31 H 0.204850 0.950445 0.349611 0.101 Uiso 1 1 calc R U
C6_31 C 0.2951(8) 0.9694(6) 0.3601(6) 0.085(2) Uani 1 1 d . U
C7_31 C 0.3431(8) 1.0026(6) 0.3647(5) 0.086(3) Uani 1 1 d . U
H7_31 H 0.382835 1.000116 0.370539 0.104 Uiso 1 1 calc R U
C8_31 C 0.3343(8) 1.0393(6) 0.3608(6) 0.086(3) Uani 1 1 d . U
C9_31 C 0.2763(8) 1.0432(6) 0.3538(5) 0.085(3) Uani 1 1 d . U
H9_31 H 0.269281 1.068456 0.351721 0.102 Uiso 1 1 calc R U
O1_32 O 0.0995(6) 1.0321(4) 0.2659(4) 0.095(2) Uani 1 1 d . U
O2_32 O 0.0606(5) 0.9683(4) 0.2642(4) 0.095(2) Uani 1 1 d . U
O3_32 O 0.0986(6) 0.8564(4) 0.1660(3) 0.095(3) Uani 1 1 d . U
O4_32 O 0.1438(6) 0.8692(4) 0.1166(3) 0.094(2) Uani 1 1 d . U
O5_32 O 0.2464(6) 1.0080(4) 0.1255(4) 0.096(2) Uani 1 1 d . U
O6_32 O 0.2181(6) 1.0592(4) 0.1644(4) 0.097(2) Uani 1 1 d . U
C1_32 C 0.0910(9) 0.9938(6) 0.2504(6) 0.090(2) Uani 1 1 d . U
C2_32 C 0.1257(10) 0.8791(6) 0.1470(6) 0.094(3) Uani 1 1 d . U
C3_32 C 0.2214(9) 1.0215(7) 0.1505(6) 0.094(3) Uani 1 1 d . U
C4_32 C 0.1151(9) 0.9792(6) 0.2146(5) 0.086(3) Uani 1 1 d . U
C5_32 C 0.1005(9) 0.9373(6) 0.1972(5) 0.087(3) Uani 1 1 d . U
H5_32 H 0.072951 0.918630 0.206381 0.105 Uiso 1 1 calc R U
C6_32 C 0.1292(9) 0.9248(6) 0.1653(5) 0.089(3) Uani 1 1 d . U
C7_32 C 0.1669(9) 0.9514(6) 0.1498(5) 0.091(3) Uani 1 1 d . U
H7_32 H 0.185434 0.941266 0.128090 0.109 Uiso 1 1 calc R U
C8_32 C 0.1769(9) 0.9927(6) 0.1664(5) 0.088(3) Uani 1 1 d . U
C9_32 C 0.1474(8) 1.0081(6) 0.1990(5) 0.086(3) Uani 1 1 d . U
H9_32 H 0.150068 1.036398 0.209129 0.103 Uiso 1 1 calc R U
O1_33 O 0.2847(5) 0.8377(4) 0.2984(3) 0.086(2) Uani 1 1 d . U
O2_33 O 0.3844(5) 0.8650(4) 0.3098(3) 0.086(2) Uani 1 1 d . U
O3_33 O 0.5005(6) 0.8899(4) 0.2082(4) 0.102(2) Uani 1 1 d . U
O4_33 O 0.4516(6) 0.8827(4) 0.1527(4) 0.101(2) Uani 1 1 d . U
O5_33 O 0.2372(6) 0.8313(4) 0.1287(3) 0.091(2) Uani 1 1 d . U
O6_33 O 0.1828(6) 0.8113(4) 0.1722(3) 0.090(2) Uani 1 1 d . U
C1_33 C 0.3338(9) 0.8525(6) 0.2890(6) 0.086(2) Uani 1 1 d . U
C2_33 C 0.4514(9) 0.8833(6) 0.1870(6) 0.092(2) Uani 1 1 d . U
C3_33 C 0.2307(9) 0.8285(5) 0.1620(5) 0.083(2) Uani 1 1 d . U
C4_33 C 0.3377(8) 0.8498(6) 0.2493(5) 0.082(2) Uani 1 1 d . U
C5_33 C 0.3950(8) 0.8643(5) 0.2357(5) 0.083(3) Uani 1 1 d . U
H5_33 H 0.431514 0.872149 0.252140 0.099 Uiso 1 1 calc R U
C6_33 C 0.3959(8) 0.8663(6) 0.2016(5) 0.085(3) Uani 1 1 d . U
C7_33 C 0.3448(8) 0.8525(5) 0.1747(5) 0.082(3) Uani 1 1 d . U
H7_33 H 0.348375 0.852596 0.149300 0.099 Uiso 1 1 calc R U
C8_33 C 0.2854(8) 0.8378(5) 0.1866(5) 0.079(2) Uani 1 1 d . U
C9_33 C 0.2857(8) 0.8379(5) 0.2239(5) 0.079(3) Uani 1 1 d . U
H9_33 H 0.248224 0.829416 0.232779 0.094 Uiso 1 1 calc R U
O1_34 O 0.5110(6) 1.0884(4) 0.3172(4) 0.099(2) Uani 1 1 d . U
O2_34 O 0.4442(6) 1.1229(4) 0.3068(3) 0.087(2) Uani 1 1 d . U
O3_34 O 0.3424(6) 1.0923(4) 0.1812(4) 0.095(2) Uani 1 1 d . U
O4_34 O 0.3667(6) 1.0486(4) 0.1324(3) 0.089(2) Uani 1 1 d . U
O5_34 O 0.5059(6) 0.9652(4) 0.1586(4) 0.101(2) Uani 1 1 d . U
O6_34 O 0.5399(6) 0.9737(4) 0.2180(4) 0.102(2) Uani 1 1 d . U
C1_34 C 0.4740(9) 1.0969(6) 0.2962(6) 0.089(2) Uani 1 1 d . U
C2_34 C 0.3720(9) 1.0658(6) 0.1675(6) 0.089(2) Uani 1 1 d . U
C3_34 C 0.5095(9) 0.9835(7) 0.1938(6) 0.096(3) Uani 1 1 d . U
C4_34 C 0.4666(8) 1.0758(6) 0.2554(5) 0.084(3) Uani 1 1 d . U
C5_34 C 0.4294(8) 1.0834(6) 0.2318(5) 0.083(3) Uani 1 1 d . U
H5_34 H 0.410093 1.105103 0.240324 0.099 Uiso 1 1 calc R U
C6_34 C 0.4170(8) 1.0595(6) 0.1930(5) 0.084(2) Uani 1 1 d . U
C7_34 C 0.4449(8) 1.0284(6) 0.1805(6) 0.086(3) Uani 1 1 d . U
H7_34 H 0.439013 1.012923 0.154750 0.103 Uiso 1 1 calc R U
C8_34 C 0.4842(8) 1.0198(6) 0.2084(6) 0.090(2) Uani 1 1 d . U
C9_34 C 0.4950(8) 1.0428(6) 0.2438(5) 0.085(3) Uani 1 1 d . U
H9_34 H 0.521603 1.037357 0.261333 0.102 Uiso 1 1 calc R U
O1_35 O 0.5088(5) 0.4272(4) 0.2046(3) 0.077(2) Uani 1 1 d . U
O2_35 O 0.5471(5) 0.3890(4) 0.2350(3) 0.076(2) Uani 1 1 d . U
O3_35 O 0.6959(5) 0.3193(3) 0.1846(3) 0.0668(19) Uani 1 1 d . U
O4_35 O 0.7467(5) 0.3358(3) 0.1379(3) 0.071(2) Uani 1 1 d . U
O5_35 O 0.7031(5) 0.4443(4) 0.0879(3) 0.079(2) Uani 1 1 d . U
O6_35 O 0.6293(5) 0.4732(4) 0.1073(3) 0.081(2) Uani 1 1 d . U
C1_35 C 0.5470(7) 0.4068(6) 0.2093(4) 0.071(2) Uani 1 1 d . U
C2_35 C 0.7074(7) 0.3386(5) 0.1604(4) 0.063(2) Uani 1 1 d . U
C3_35 C 0.6601(8) 0.4493(6) 0.1088(4) 0.074(2) Uani 1 1 d . U
C4_35 C 0.5925(7) 0.4017(5) 0.1814(4) 0.065(2) Uani 1 1 d . U
C5_35 C 0.6245(7) 0.3725(5) 0.1824(4) 0.063(2) Uani 1 1 d . U
H5_35 H 0.616368 0.355362 0.198589 0.076 Uiso 1 1 calc R U
C6_35 C 0.6698(7) 0.3695(5) 0.1582(4) 0.062(2) Uani 1 1 d . U
C7_35 C 0.6805(7) 0.3913(5) 0.1325(4) 0.064(2) Uani 1 1 d . U
H7_35 H 0.710157 0.387920 0.115593 0.077 Uiso 1 1 calc R U
C8_35 C 0.6437(7) 0.4192(5) 0.1330(4) 0.067(2) Uani 1 1 d . U
C9_35 C 0.6017(7) 0.4251(5) 0.1552(4) 0.065(2) Uani 1 1 d . U
H9_35 H 0.578362 0.444292 0.153777 0.078 Uiso 1 1 calc R U
O1_36 O 0.5387(4) 0.4808(4) 0.2751(3) 0.074(2) Uani 1 1 d . U
O2_36 O 0.5455(5) 0.4347(4) 0.3070(3) 0.076(2) Uani 1 1 d . U
O3_36 O 0.7432(4) 0.4576(3) 0.3821(3) 0.0672(19) Uani 1 1 d . U
O4_36 O 0.8101(5) 0.5157(3) 0.3880(3) 0.069(2) Uani 1 1 d . U
O5_36 O 0.7576(6) 0.6250(4) 0.3480(4) 0.097(2) Uani 1 1 d . U
O6_36 O 0.6711(6) 0.6175(4) 0.3164(4) 0.092(2) Uani 1 1 d . U
C1_36 C 0.5640(7) 0.4669(6) 0.2999(5) 0.073(2) Uani 1 1 d . U
C2_36 C 0.7609(7) 0.4913(5) 0.3763(4) 0.065(2) Uani 1 1 d . U
C3_36 C 0.7070(10) 0.6034(6) 0.3336(6) 0.088(2) Uani 1 1 d . U
C4_36 C 0.6191(7) 0.4979(5) 0.3219(4) 0.067(2) Uani 1 1 d . U
C5_36 C 0.6589(7) 0.4832(5) 0.3414(4) 0.065(2) Uani 1 1 d . U
H5_36 H 0.648135 0.455793 0.342547 0.078 Uiso 1 1 calc R U
C6_36 C 0.7123(7) 0.5072(5) 0.3585(4) 0.066(2) Uani 1 1 d . U
C7_36 C 0.7294(8) 0.5485(5) 0.3565(4) 0.072(2) Uani 1 1 d . U
H7_36 H 0.767892 0.565281 0.367512 0.086 Uiso 1 1 calc R U
C8_36 C 0.6885(8) 0.5637(5) 0.3382(5) 0.075(2) Uani 1 1 d . U
C9_36 C 0.6331(8) 0.5364(5) 0.3190(4) 0.072(3) Uani 1 1 d . U
H9_36 H 0.606464 0.545421 0.304261 0.087 Uiso 1 1 calc R U
O1_37 O 0.8295(4) 0.4144(3) 0.3523(3) 0.067(2) Uani 1 1 d . U
O2_37 O 0.8963(4) 0.4730(3) 0.3639(3) 0.067(2) Uani 1 1 d . U
O3_37 O 1.0116(4) 0.5068(3) 0.2653(3) 0.0681(19) Uani 1 1 d . U
O4_37 O 0.9817(4) 0.4680(3) 0.2056(3) 0.0662(19) Uani 1 1 d . U
O5_37 O 0.8498(5) 0.3353(3) 0.1811(3) 0.078(2) Uani 1 1 d . U
O6_37 O 0.7947(5) 0.3175(3) 0.2260(3) 0.071(2) Uani 1 1 d . U
C1_37 C 0.8666(7) 0.4393(5) 0.3427(4) 0.066(2) Uani 1 1 d . U
C2_37 C 0.9794(7) 0.4758(5) 0.2419(4) 0.065(2) Uani 1 1 d . U
C3_37 C 0.8335(8) 0.3412(5) 0.2145(5) 0.070(2) Uani 1 1 d . U
C4_37 C 0.8838(7) 0.4276(5) 0.3048(4) 0.061(2) Uani 1 1 d . U
C5_37 C 0.9280(6) 0.4538(5) 0.2917(4) 0.060(2) Uani 1 1 d . U
H5_37 H 0.948925 0.479022 0.308741 0.072 Uiso 1 1 calc R U
C6_37 C 0.9424(6) 0.4441(5) 0.2540(4) 0.060(2) Uani 1 1 d . U
C7_37 C 0.9122(6) 0.4063(5) 0.2303(4) 0.062(2) Uani 1 1 d . U
H7_37 H 0.919406 0.398921 0.204651 0.075 Uiso 1 1 calc R U
C8_37 C 0.8717(7) 0.3792(5) 0.2439(4) 0.064(2) Uani 1 1 d . U
C9_37 C 0.8577(7) 0.3892(5) 0.2796(4) 0.064(2) Uani 1 1 d . U
H9_37 H 0.829693 0.369923 0.287899 0.076 Uiso 1 1 calc R U
O1_38 O 0.8252(6) 0.6449(4) 0.2920(4) 0.095(2) Uani 1 1 d . U
O2_38 O 0.7355(6) 0.6309(4) 0.2595(4) 0.091(2) Uani 1 1 d . U
O3_38 O 0.7057(5) 0.5481(4) 0.1274(3) 0.082(2) Uani 1 1 d . U
O4_38 O 0.7797(5) 0.5215(4) 0.1022(3) 0.079(2) Uani 1 1 d . U
O5_38 O 0.9621(4) 0.5348(3) 0.1825(3) 0.0689(19) Uani 1 1 d . U
O6_38 O 0.9728(4) 0.5684(3) 0.2441(3) 0.071(2) Uani 1 1 d . U
C1_38 C 0.7882(9) 0.6271(6) 0.2632(5) 0.084(2) Uani 1 1 d . U
C2_38 C 0.7581(8) 0.5420(6) 0.1305(5) 0.074(2) Uani 1 1 d . U
C3_38 C 0.9429(7) 0.5557(5) 0.2116(5) 0.065(2) Uani 1 1 d . U
C4_38 C 0.8127(7) 0.6026(5) 0.2297(5) 0.073(2) Uani 1 1 d . U
C5_38 C 0.7776(7) 0.5865(5) 0.1954(4) 0.067(2) Uani 1 1 d . U
H5_38 H 0.739100 0.592114 0.192284 0.081 Uiso 1 1 calc R U
C6_38 C 0.7980(7) 0.5630(5) 0.1666(4) 0.068(2) Uani 1 1 d . U
C7_38 C 0.8529(7) 0.5527(5) 0.1710(4) 0.064(2) Uani 1 1 d . U
H7_38 H 0.866386 0.535123 0.150662 0.077 Uiso 1 1 calc R U
C8_38 C 0.8874(7) 0.5686(5) 0.2056(4) 0.064(2) Uani 1 1 d . U
C9_38 C 0.8694(7) 0.5929(5) 0.2362(5) 0.071(2) Uani 1 1 d . U
H9_38 H 0.892880 0.602636 0.260101 0.085 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1_32 Cu1 O1_31 91.1(6) . .
O1_32 Cu1 N2_1 94.2(5) . .
O1_31 Cu1 N2_1 167.5(5) . .
O1_32 Cu1 N1_1 174.5(5) . .
O1_31 Cu1 N1_1 91.6(5) . .
N2_1 Cu1 N1_1 82.2(3) . .
O1_32 Cu1 O1 92.1(7) . .
O1_31 Cu1 O1 92.4(6) . .
N2_1 Cu1 O1 98.7(6) . .
N1_1 Cu1 O1 92.6(6) . .
O2_31 Cu2 N1_2 93.7(5) . .
O2_31 Cu2 O2_32 91.9(5) . .
N1_2 Cu2 O2_32 165.2(5) . .
O2_31 Cu2 N2_2 174.8(5) . .
N1_2 Cu2 N2_2 82.3(3) . .
O2_32 Cu2 N2_2 91.1(4) . .
O2_31 Cu2 O2 92.0(7) . .
N1_2 Cu2 O2 102.8(7) . .
O2_32 Cu2 O2 90.6(7) . .
N2_2 Cu2 O2 92.2(6) . .
O1_33 Cu3 O3_31 91.6(5) . .
O1_33 Cu3 N2_3 93.8(4) . .
O3_31 Cu3 N2_3 170.2(5) . .
O1_33 Cu3 N1_3 176.0(4) . .
O3_31 Cu3 N1_3 92.2(4) . .
N2_3 Cu3 N1_3 82.3(2) . .
O1_33 Cu3 O3 91.9(6) . .
O3_31 Cu3 O3 90.9(6) . .
N2_3 Cu3 O3 97.1(5) . .
N1_3 Cu3 O3 89.6(5) . .
O4_31 Cu4 O2_33 90.4(5) . .
O4_31 Cu4 N2_4 170.9(4) . .
O2_33 Cu4 N2_4 91.3(4) . .
O4_31 Cu4 N1_4 94.8(4) . .
O2_33 Cu4 N1_4 163.5(4) . .
N2_4 Cu4 N1_4 81.2(2) . .
O4_31 Cu4 O4 93.4(6) . .
O2_33 Cu4 O4 90.7(6) . .
N2_4 Cu4 O4 95.4(5) . .
N1_4 Cu4 O4 104.5(5) . .
O5_31 Cu5 O1_34 87.9(6) . .
O5_31 Cu5 N1_5 97.4(5) . .
O1_34 Cu5 N1_5 157.4(5) . .
O5_31 Cu5 N2_5 177.5(5) . .
O1_34 Cu5 N2_5 93.6(4) . .
N1_5 Cu5 N2_5 81.9(2) . .
O2_34 Cu6 N1_6 171.6(5) . .
O2_34 Cu6 O6_31 90.9(5) . .
N1_6 Cu6 O6_31 97.3(5) . .
O2_34 Cu6 N2_6 90.4(4) . .
N1_6 Cu6 N2_6 82.2(3) . .
O6_31 Cu6 N2_6 162.1(5) . .
O2_34 Cu6 O6 90.2(6) . .
N1_6 Cu6 O6 87.7(5) . .
O6_31 Cu6 O6 93.2(6) . .
N2_6 Cu6 O6 104.7(5) . .
O3_34 Cu7 O6_32 90.4(5) . .
O3_34 Cu7 N2_7 93.7(4) . .
O6_32 Cu7 N2_7 169.3(5) . .
O3_34 Cu7 N1_7 171.5(5) . .
O6_32 Cu7 N1_7 92.9(4) . .
N2_7 Cu7 N1_7 81.8(2) . .
O3_34 Cu7 O7 91.8(8) . .
O6_32 Cu7 O7 90.3(7) . .
N2_7 Cu7 O7 99.5(6) . .
N1_7 Cu7 O7 96.0(7) . .
O3_34 Cu7 Cu8 79.1(4) . .
O6_32 Cu7 Cu8 78.3(4) . .
N2_7 Cu7 Cu8 92.7(3) . .
N1_7 Cu7 Cu8 93.9(3) . .
O7 Cu7 Cu8 165.2(5) . .
O5_32 Cu8 O4_34 92.2(5) . .
O5_32 Cu8 N1_8 91.2(4) . .
O4_34 Cu8 N1_8 171.7(5) . .
O5_32 Cu8 N2_8 170.2(5) . .
O4_34 Cu8 N2_8 93.7(4) . .
N1_8 Cu8 N2_8 82.0(2) . .
O5_32 Cu8 O8 94.4(6) . .
O4_34 Cu8 O8 89.7(6) . .
N1_8 Cu8 O8 97.7(5) . .
N2_8 Cu8 O8 93.6(4) . .
O5_32 Cu8 Cu7 76.5(4) . .
O4_34 Cu8 Cu7 75.2(4) . .
N1_8 Cu8 Cu7 98.3(3) . .
N2_8 Cu8 Cu7 97.4(3) . .
O8 Cu8 Cu7 161.8(4) . .
N1_9 Cu9 O6_33 94.1(5) . .
N1_9 Cu9 N2_9 83.1(2) . .
O6_33 Cu9 N2_9 177.1(5) . .
N1_9 Cu9 O3_32 164.1(4) . .
O6_33 Cu9 O3_32 89.0(5) . .
N2_9 Cu9 O3_32 93.5(5) . .
N1_9 Cu9 O9 104.2(6) . .
O6_33 Cu9 O9 91.8(6) . .
N2_9 Cu9 O9 89.7(6) . .
O3_32 Cu9 O9 91.3(6) . .
N2_10 Cu10 O4_32 98.5(5) . .
N2_10 Cu10 O5_33 163.3(5) . .
O4_32 Cu10 O5_33 91.5(5) . .
N2_10 Cu10 N1_10 81.3(3) . .
O4_32 Cu10 N1_10 177.1(5) . .
O5_33 Cu10 N1_10 88.0(5) . .
N2_10 Cu10 O10 103.4(5) . .
O4_32 Cu10 O10 87.2(6) . .
O5_33 Cu10 O10 90.4(6) . .
N1_10 Cu10 O10 95.7(5) . .
C12_22 O10 Cu10 120.4(9) 2_665 .
O6_34 Cu11 O3_33 92.5(6) . .
O6_34 Cu11 N1_11 91.2(5) . .
O3_33 Cu11 N1_11 172.2(5) . .
O6_34 Cu11 N2_11 166.5(5) . .
O3_33 Cu11 N2_11 95.5(5) . .
N1_11 Cu11 N2_11 79.6(3) . .
O6_34 Cu11 O11 96.6(7) . .
O3_33 Cu11 O11 86.9(6) . .
N1_11 Cu11 O11 99.5(5) . .
N2_11 Cu11 O11 94.7(6) . .
O5_34 Cu12 N2_12 171.1(5) . .
O5_34 Cu12 O4_33 93.4(6) . .
N2_12 Cu12 O4_33 91.0(5) . .
O5_34 Cu12 N1_12 91.7(4) . .
N2_12 Cu12 N1_12 82.6(3) . .
O4_33 Cu12 N1_12 168.0(5) . .
O5_34 Cu12 O12 88.4(6) . .
N2_12 Cu12 O12 99.4(5) . .
O4_33 Cu12 O12 88.1(6) . .
N1_12 Cu12 O12 102.9(5) . .
O1_35 Cu13 O1_36 88.7(4) . .
O1_35 Cu13 N2_13 170.9(4) . .
O1_36 Cu13 N2_13 95.8(4) . .
O1_35 Cu13 N1_13 94.4(4) . .
O1_36 Cu13 N1_13 167.7(4) . .
N2_13 Cu13 N1_13 79.7(2) . .
O1_35 Cu13 O13 91.4(5) . .
O1_36 Cu13 O13 91.5(5) . .
N2_13 Cu13 O13 96.4(4) . .
N1_13 Cu13 O13 100.3(4) . .
O1_35 Cu13 Cu14 79.0(3) . .
O1_36 Cu13 Cu14 78.5(3) . .
N2_13 Cu13 Cu14 94.0(3) . .
N1_13 Cu13 Cu14 90.4(2) . .
O13 Cu13 Cu14 166.2(3) . .
O2_35 Cu14 O2_36 90.2(5) . .
O2_35 Cu14 N2_14 166.9(4) . .
O2_36 Cu14 N2_14 97.2(4) . .
O2_35 Cu14 N1_14 89.3(4) . .
O2_36 Cu14 N1_14 174.6(4) . .
N2_14 Cu14 N1_14 82.3(2) . .
O2_35 Cu14 O14 92.2(5) . .
O2_36 Cu14 O14 92.7(5) . .
N2_14 Cu14 O14 98.2(5) . .
N1_14 Cu14 O14 92.7(5) . .
O2_35 Cu14 Cu13 76.0(3) . .
O2_36 Cu14 Cu13 76.8(3) . .
N2_14 Cu14 Cu13 95.2(3) . .
N1_14 Cu14 Cu13 97.9(3) . .
O14 Cu14 Cu13 164.0(4) . .
O3_36 Cu15 O1_37 93.0(4) . .
O3_36 Cu15 N2_15 93.0(4) . .
O1_37 Cu15 N2_15 171.3(4) . .
O3_36 Cu15 N1_15 171.6(4) . .
O1_37 Cu15 N1_15 91.9(3) . .
N2_15 Cu15 N1_15 81.41(19) . .
O3_36 Cu15 O15 90.0(4) . .
O1_37 Cu15 O15 90.3(4) . .
N2_15 Cu15 O15 96.0(4) . .
N1_15 Cu15 O15 96.7(4) . .
O2_37 Cu16 N2_16 170.8(4) . .
O2_37 Cu16 O4_36 89.4(4) . .
N2_16 Cu16 O4_36 93.1(3) . .
O2_37 Cu16 N1_16 93.5(3) . .
N2_16 Cu16 N1_16 82.00(17) . .
O4_36 Cu16 N1_16 165.8(4) . .
O2_37 Cu16 O16 91.7(4) . .
N2_16 Cu16 O16 97.2(4) . .
O4_36 Cu16 O16 88.1(4) . .
N1_16 Cu16 O16 105.7(4) . .
N1_17 Cu17 N2_17 84.4(3) . .
N1_17 Cu17 O5_36 166.7(5) . .
N2_17 Cu17 O5_36 93.6(5) . .
N1_17 Cu17 O1_38 90.2(5) . .
N2_17 Cu17 O1_38 172.8(5) . .
O5_36 Cu17 O1_38 90.6(6) . .
N1_17 Cu17 O17 102.7(6) . .
N2_17 Cu17 O17 94.5(6) . .
O5_36 Cu17 O17 90.5(6) . .
O1_38 Cu17 O17 91.3(6) . .
O2_38 Cu18 N2_18 174.2(5) . .
O2_38 Cu18 O6_36 88.5(5) . .
N2_18 Cu18 O6_36 95.7(4) . .
O2_38 Cu18 N1_18 93.2(5) . .
N2_18 Cu18 N1_18 82.2(3) . .
O6_36 Cu18 N1_18 172.2(5) . .
O2_38 Cu18 O18 90.7(6) . .
N2_18 Cu18 O18 93.3(5) . .
O6_36 Cu18 O18 90.6(5) . .
N1_18 Cu18 O18 97.0(5) . .
O3_38 Cu19 O6_35 89.3(5) . .
O3_38 Cu19 N1_19 161.8(4) . .
O6_35 Cu19 N1_19 94.9(4) . .
O3_38 Cu19 N2_19 94.2(4) . .
O6_35 Cu19 N2_19 175.5(4) . .
N1_19 Cu19 N2_19 80.87(17) . .
O3_38 Cu19 O19 91.9(5) . .
O6_35 Cu19 O19 89.2(5) . .
N1_19 Cu19 O19 105.8(4) . .
N2_19 Cu19 O19 93.4(4) . .
O3_38 Cu19 Cu20 79.0(4) . .
O6_35 Cu19 Cu20 75.9(4) . .
N1_19 Cu19 Cu20 84.9(2) . .
N2_19 Cu19 Cu20 102.1(2) . .
O19 Cu19 Cu20 162.5(3) . .
O4_38 Cu20 O5_35 91.7(5) . .
O4_38 Cu20 N1_20 173.0(4) . .
O5_35 Cu20 N1_20 95.1(4) . .
O4_38 Cu20 N2_20 92.0(4) . .
O5_35 Cu20 N2_20 164.9(4) . .
N1_20 Cu20 N2_20 81.0(2) . .
O4_38 Cu20 O20 87.4(5) . .
O5_35 Cu20 O20 97.2(6) . .
N1_20 Cu20 O20 93.4(5) . .
N2_20 Cu20 O20 97.5(5) . .
O4_38 Cu20 Cu19 76.2(3) . .
O5_35 Cu20 Cu19 78.8(4) . .
N1_20 Cu20 Cu19 103.5(2) . .
N2_20 Cu20 Cu19 87.9(2) . .
O20 Cu20 Cu19 162.9(4) . .
O6_37 Cu21 N1_21 93.8(4) . .
O6_37 Cu21 O3_35 87.5(4) . .
N1_21 Cu21 O3_35 161.6(4) . .
O6_37 Cu21 N2_21 171.2(4) . .
N1_21 Cu21 N2_21 83.0(2) . .
O3_35 Cu21 N2_21 93.0(4) . .
O6_37 Cu21 O21 89.3(5) . .
N1_21 Cu21 O21 107.4(5) . .
O3_35 Cu21 O21 91.0(5) . .
N2_21 Cu21 O21 99.5(5) . .
O5_37 Cu22 O4_35 91.7(5) . .
O5_37 Cu22 N2_22 172.0(4) . .
O4_35 Cu22 N2_22 93.4(4) . .
O5_37 Cu22 N1_22 92.6(4) . .
O4_35 Cu22 N1_22 175.1(4) . .
N2_22 Cu22 N1_22 82.7(2) . .
O5_37 Cu22 O3_26 85.5(5) . .
O4_35 Cu22 O3_26 90.7(4) . .
N2_22 Cu22 O3_26 100.6(5) . .
N1_22 Cu22 O3_26 87.2(4) . .
O3_37 Cu23 O6_38 90.7(4) . .
O3_37 Cu23 N2_23 92.9(3) . .
O6_38 Cu23 N2_23 168.0(4) . .
O3_37 Cu23 N1_23 173.1(4) . .
O6_38 Cu23 N1_23 94.4(4) . .
N2_23 Cu23 N1_23 81.2(2) . .
O3_37 Cu23 O23 91.1(4) . .
O6_38 Cu23 O23 91.0(4) . .
N2_23 Cu23 O23 100.3(4) . .
N1_23 Cu23 O23 93.5(4) . .
N2_24 Cu24 O5_38 173.4(4) . .
N2_24 Cu24 N1_24 83.00(19) . .
O5_38 Cu24 N1_24 91.4(3) . .
N2_24 Cu24 O4_37 93.9(3) . .
O5_38 Cu24 O4_37 90.7(4) . .
N1_24 Cu24 O4_37 165.7(4) . .
N2_24 Cu24 O24 94.3(5) . .
O5_38 Cu24 O24 90.1(5) . .
N1_24 Cu24 O24 100.0(5) . .
O4_37 Cu24 O24 94.0(5) . .
C1_1 N1_1 C5_1 118.1 . .
C1_1 N1_1 Cu1 127.3(3) . .
C5_1 N1_1 Cu1 114.5(3) . .
C10_1 N2_1 C6_1 117.4 . .
C10_1 N2_1 Cu1 127.2(3) . .
C6_1 N2_1 Cu1 115.1(3) . .
C3_1 O1_1 C11_1 118.6(2) . .
C8_1 O2_1 C12_1 118.7(2) . .
N1_1 C1_1 C2_1 123.5 . .
N1_1 C1_1 H1_1 118.3 . .
C2_1 C1_1 H1_1 118.3 . .
C1_1 C2_1 C3_1 118.1 . .
C1_1 C2_1 H2_1 120.9 . .
C3_1 C2_1 H2_1 121.0 . .
O1_1 C3_1 C2_1 114.8 . .
O1_1 C3_1 C4_1 125.3 . .
C2_1 C3_1 C4_1 119.9 . .
C3_1 C4_1 C5_1 117.9 . .
C3_1 C4_1 H4_1 121.0 . .
C5_1 C4_1 H4_1 121.1 . .
N1_1 C5_1 C4_1 122.5 . .
N1_1 C5_1 C6_1 114.2 . .
C4_1 C5_1 C6_1 123.3 . .
N2_1 C6_1 C7_1 123.0 . .
N2_1 C6_1 C5_1 113.7 . .
C7_1 C6_1 C5_1 123.3 . .
C6_1 C7_1 C8_1 118.0 . .
C6_1 C7_1 H7_1 120.9 . .
C8_1 C7_1 H7_1 121.0 . .
O2_1 C8_1 C9_1 115.4 . .
O2_1 C8_1 C7_1 125.4 . .
C9_1 C8_1 C7_1 119.2 . .
C10_1 C9_1 C8_1 118.6 . .
C10_1 C9_1 H9_1 120.7 . .
C8_1 C9_1 H9_1 120.8 . .
N2_1 C10_1 C9_1 123.8 . .
N2_1 C10_1 H10_1 118.1 . .
C9_1 C10_1 H10_1 118.1 . .
O1_1 C11_1 H11A_1 109.5 . .
O1_1 C11_1 H11B_1 109.5 . .
H11A_1 C11_1 H11B_1 109.5 . .
O1_1 C11_1 H11C_1 109.5 . .
H11A_1 C11_1 H11C_1 109.5 . .
H11B_1 C11_1 H11C_1 109.5 . .
O2_1 C12_1 H12A_1 109.5 . .
O2_1 C12_1 H12B_1 109.5 . .
H12A_1 C12_1 H12B_1 109.5 . .
O2_1 C12_1 H12C_1 109.5 . .
H12A_1 C12_1 H12C_1 109.5 . .
H12B_1 C12_1 H12C_1 109.5 . .
C1_2 N1_2 C5_2 118.1 . .
C1_2 N1_2 Cu2 127.0(2) . .
C5_2 N1_2 Cu2 114.8(2) . .
C10_2 N2_2 C6_2 117.4 . .
C10_2 N2_2 Cu2 127.7(3) . .
C6_2 N2_2 Cu2 114.9(3) . .
C3_2 O1_2 C11_2 118.6(2) . .
C8_2 O2_2 C12_2 118.8(2) . .
N1_2 C1_2 C2_2 123.5 . .
N1_2 C1_2 H1_2 118.3 . .
C2_2 C1_2 H1_2 118.3 . .
C1_2 C2_2 C3_2 118.1 . .
C1_2 C2_2 H2_2 120.9 . .
C3_2 C2_2 H2_2 121.0 . .
O1_2 C3_2 C2_2 114.8 . .
O1_2 C3_2 C4_2 125.3 . .
C2_2 C3_2 C4_2 119.9 . .
C3_2 C4_2 C5_2 117.9 . .
C3_2 C4_2 H4_2 121.0 . .
C5_2 C4_2 H4_2 121.1 . .
N1_2 C5_2 C4_2 122.5 . .
N1_2 C5_2 C6_2 114.2 . .
C4_2 C5_2 C6_2 123.3 . .
N2_2 C6_2 C7_2 123.0 . .
N2_2 C6_2 C5_2 113.7 . .
C7_2 C6_2 C5_2 123.3 . .
C6_2 C7_2 C8_2 118.0 . .
C6_2 C7_2 H7_2 120.9 . .
C8_2 C7_2 H7_2 121.0 . .
O2_2 C8_2 C9_2 115.4 . .
O2_2 C8_2 C7_2 125.4 . .
C9_2 C8_2 C7_2 119.2 . .
C10_2 C9_2 C8_2 118.6 . .
C10_2 C9_2 H9_2 120.7 . .
C8_2 C9_2 H9_2 120.7 . .
N2_2 C10_2 C9_2 123.8 . .
N2_2 C10_2 H10_2 118.1 . .
C9_2 C10_2 H10_2 118.1 . .
O1_2 C11_2 H11A_2 109.5 . .
O1_2 C11_2 H11B_2 109.5 . .
H11A_2 C11_2 H11B_2 109.5 . .
O1_2 C11_2 H11C_2 109.5 . .
H11A_2 C11_2 H11C_2 109.5 . .
H11B_2 C11_2 H11C_2 109.5 . .
O2_2 C12_2 C5_11 150(2) . 1_455
O2_2 C12_2 C4_11 143.1(19) . 1_455
C5_11 C12_2 C4_11 42(2) 1_455 1_455
O2_2 C12_2 H12A_2 109.5 . .
C5_11 C12_2 H12A_2 43.3 1_455 .
C4_11 C12_2 H12A_2 81.2 1_455 .
O2_2 C12_2 H12B_2 109.5 . .
C5_11 C12_2 H12B_2 77.4 1_455 .
C4_11 C12_2 H12B_2 36.5 1_455 .
H12A_2 C12_2 H12B_2 109.5 . .
O2_2 C12_2 H12C_2 109.5 . .
C5_11 C12_2 H12C_2 94.6 1_455 .
C4_11 C12_2 H12C_2 99.0 1_455 .
H12A_2 C12_2 H12C_2 109.5 . .
H12B_2 C12_2 H12C_2 109.5 . .
C1_3 N1_3 C5_3 118.1 . .
C1_3 N1_3 Cu3 127.3(2) . .
C5_3 N1_3 Cu3 114.3(2) . .
C10_3 N2_3 C6_3 117.4 . .
C10_3 N2_3 Cu3 127.5(2) . .
C6_3 N2_3 Cu3 115.1(2) . .
C3_3 O1_3 C11_3 118.6(2) . .
C8_3 O2_3 C12_3 118.9(2) . .
N1_3 C1_3 C2_3 123.5 . .
N1_3 C1_3 H1_3 118.3 . .
C2_3 C1_3 H1_3 118.3 . .
C1_3 C2_3 C3_3 118.1 . .
C1_3 C2_3 H2_3 120.9 . .
C3_3 C2_3 H2_3 121.0 . .
O1_3 C3_3 C2_3 114.8 . .
O1_3 C3_3 C4_3 125.3 . .
C2_3 C3_3 C4_3 119.9 . .
C3_3 C4_3 C5_3 117.9 . .
C3_3 C4_3 H4_3 121.0 . .
C5_3 C4_3 H4_3 121.1 . .
N1_3 C5_3 C4_3 122.5 . .
N1_3 C5_3 C6_3 114.2 . .
C4_3 C5_3 C6_3 123.3 . .
N2_3 C6_3 C7_3 123.0 . .
N2_3 C6_3 C5_3 113.7 . .
C7_3 C6_3 C5_3 123.3 . .
C6_3 C7_3 C8_3 118.0 . .
C6_3 C7_3 H7_3 120.9 . .
C8_3 C7_3 H7_3 121.0 . .
O2_3 C8_3 C9_3 115.4 . .
O2_3 C8_3 C7_3 125.4 . .
C9_3 C8_3 C7_3 119.2 . .
C10_3 C9_3 C8_3 118.6 . .
C10_3 C9_3 H9_3 120.7 . .
C8_3 C9_3 H9_3 120.8 . .
N2_3 C10_3 C9_3 123.8 . .
N2_3 C10_3 H10_3 118.1 . .
C9_3 C10_3 H10_3 118.1 . .
O1_3 C11_3 H11A_3 109.5 . .
O1_3 C11_3 H11B_3 109.5 . .
H11A_3 C11_3 H11B_3 109.5 . .
O1_3 C11_3 H11C_3 109.5 . .
H11A_3 C11_3 H11C_3 109.5 . .
H11B_3 C11_3 H11C_3 109.5 . .
O2_3 C12_3 H12A_3 109.5 . .
O2_3 C12_3 H12B_3 109.5 . .
H12A_3 C12_3 H12B_3 109.5 . .
O2_3 C12_3 H12C_3 109.5 . .
H12A_3 C12_3 H12C_3 109.5 . .
H12B_3 C12_3 H12C_3 109.5 . .
C1_4 N1_4 C5_4 118.1 . .
C1_4 N1_4 Cu4 126.7(3) . .
C5_4 N1_4 Cu4 114.6(3) . .
C10_4 N2_4 C6_4 117.4 . .
C10_4 N2_4 Cu4 127.0(2) . .
C6_4 N2_4 Cu4 115.4(2) . .
C3_4 O1_4 C11_4 118.8(2) . .
C8_4 O2_4 C12_4 118.8(2) . .
N1_4 C1_4 C2_4 123.5 . .
N1_4 C1_4 H1_4 118.3 . .
C2_4 C1_4 H1_4 118.3 . .
C1_4 C2_4 C3_4 118.1 . .
C1_4 C2_4 H2_4 120.9 . .
C3_4 C2_4 H2_4 121.0 . .
O1_4 C3_4 C2_4 114.8 . .
O1_4 C3_4 C4_4 125.3 . .
C2_4 C3_4 C4_4 119.9 . .
C3_4 C4_4 C5_4 117.9 . .
C3_4 C4_4 H4_4 121.0 . .
C5_4 C4_4 H4_4 121.1 . .
N1_4 C5_4 C4_4 122.5 . .
N1_4 C5_4 C6_4 114.2 . .
C4_4 C5_4 C6_4 123.3 . .
N2_4 C6_4 C7_4 123.0 . .
N2_4 C6_4 C5_4 113.7 . .
C7_4 C6_4 C5_4 123.3 . .
C6_4 C7_4 C8_4 118.0 . .
C6_4 C7_4 H7_4 120.9 . .
C8_4 C7_4 H7_4 121.0 . .
O2_4 C8_4 C9_4 115.4 . .
O2_4 C8_4 C7_4 125.4 . .
C9_4 C8_4 C7_4 119.2 . .
C10_4 C9_4 C8_4 118.6 . .
C10_4 C9_4 H9_4 120.7 . .
C8_4 C9_4 H9_4 120.8 . .
N2_4 C10_4 C9_4 123.8 . .
N2_4 C10_4 H10_4 118.1 . .
C9_4 C10_4 H10_4 118.1 . .
O1_4 C11_4 H11A_4 109.5 . .
O1_4 C11_4 H11B_4 109.5 . .
H11A_4 C11_4 H11B_4 109.5 . .
O1_4 C11_4 H11C_4 109.5 . .
H11A_4 C11_4 H11C_4 109.5 . .
H11B_4 C11_4 H11C_4 109.5 . .
O2_4 C12_4 H12A_4 109.5 . .
O2_4 C12_4 H12B_4 109.5 . .
H12A_4 C12_4 H12B_4 109.5 . .
O2_4 C12_4 H12C_4 109.5 . .
H12A_4 C12_4 H12C_4 109.5 . .
H12B_4 C12_4 H12C_4 109.5 . .
C1_5 N1_5 C5_5 118.1 . .
C1_5 N1_5 Cu5 126.6(2) . .
C5_5 N1_5 Cu5 115.3(2) . .
C10_5 N2_5 C6_5 117.4 . .
C10_5 N2_5 Cu5 127.7(2) . .
C6_5 N2_5 Cu5 114.8(2) . .
C3_5 O1_5 C11_5 118.7(2) . .
C8_5 O2_5 C12_5 119.0(2) . .
N1_5 C1_5 C2_5 123.5 . .
N1_5 C1_5 H1_5 118.3 . .
C2_5 C1_5 H1_5 118.3 . .
C1_5 C2_5 C3_5 118.1 . .
C1_5 C2_5 H2_5 120.9 . .
C3_5 C2_5 H2_5 121.0 . .
O1_5 C3_5 C2_5 114.8 . .
O1_5 C3_5 C4_5 125.3 . .
C2_5 C3_5 C4_5 119.9 . .
C3_5 C4_5 C5_5 117.9 . .
C3_5 C4_5 H4_5 121.0 . .
C5_5 C4_5 H4_5 121.1 . .
N1_5 C5_5 C4_5 122.5 . .
N1_5 C5_5 C6_5 114.2 . .
C4_5 C5_5 C6_5 123.3 . .
N2_5 C6_5 C7_5 123.0 . .
N2_5 C6_5 C5_5 113.7 . .
C7_5 C6_5 C5_5 123.3 . .
C6_5 C7_5 C8_5 118.0 . .
C6_5 C7_5 H7_5 120.9 . .
C8_5 C7_5 H7_5 121.0 . .
O2_5 C8_5 C9_5 115.4 . .
O2_5 C8_5 C7_5 125.4 . .
C9_5 C8_5 C7_5 119.2 . .
C10_5 C9_5 C8_5 118.6 . .
C10_5 C9_5 H9_5 120.7 . .
C8_5 C9_5 H9_5 120.8 . .
N2_5 C10_5 C9_5 123.8 . .
N2_5 C10_5 H10_5 118.1 . .
C9_5 C10_5 H10_5 118.1 . .
O1_5 C11_5 H11A_5 109.5 . .
O1_5 C11_5 H11B_5 109.5 . .
H11A_5 C11_5 H11B_5 109.5 . .
O1_5 C11_5 H11C_5 109.5 . .
H11A_5 C11_5 H11C_5 109.5 . .
H11B_5 C11_5 H11C_5 109.5 . .
O2_5 C12_5 H12A_5 109.5 . .
O2_5 C12_5 H12B_5 109.5 . .
H12A_5 C12_5 H12B_5 109.5 . .
O2_5 C12_5 H12C_5 109.5 . .
H12A_5 C12_5 H12C_5 109.5 . .
H12B_5 C12_5 H12C_5 109.5 . .
C1_6 N1_6 C5_6 118.1 . .
C1_6 N1_6 Cu6 126.0(2) . .
C5_6 N1_6 Cu6 114.2(3) . .
C10_6 N2_6 C6_6 117.4 . .
C10_6 N2_6 Cu6 128.9(3) . .
C6_6 N2_6 Cu6 112.9(3) . .
C3_6 O1_6 C11_6 118.6(2) . .
C8_6 O2_6 C12_6 119.0(2) . .
N1_6 C1_6 C2_6 123.5 . .
N1_6 C1_6 H1_6 118.3 . .
C2_6 C1_6 H1_6 118.3 . .
C1_6 C2_6 C3_6 118.1 . .
C1_6 C2_6 H2_6 120.9 . .
C3_6 C2_6 H2_6 121.0 . .
O1_6 C3_6 C2_6 114.8 . .
O1_6 C3_6 C4_6 125.3 . .
C2_6 C3_6 C4_6 119.9 . .
C3_6 C4_6 C5_6 117.9 . .
C3_6 C4_6 H4_6 121.0 . .
C5_6 C4_6 H4_6 121.1 . .
N1_6 C5_6 C4_6 122.5 . .
N1_6 C5_6 C6_6 114.2 . .
C4_6 C5_6 C6_6 123.3 . .
N2_6 C6_6 C7_6 123.0 . .
N2_6 C6_6 C5_6 113.7 . .
C7_6 C6_6 C5_6 123.3 . .
C6_6 C7_6 C8_6 118.0 . .
C6_6 C7_6 H7_6 120.9 . .
C8_6 C7_6 H7_6 121.0 . .
O2_6 C8_6 C9_6 115.4 . .
O2_6 C8_6 C7_6 125.4 . .
C9_6 C8_6 C7_6 119.2 . .
C10_6 C9_6 C8_6 118.6 . .
C10_6 C9_6 H9_6 120.7 . .
C8_6 C9_6 H9_6 120.8 . .
N2_6 C10_6 C9_6 123.8 . .
N2_6 C10_6 H10_6 118.1 . .
C9_6 C10_6 H10_6 118.1 . .
O1_6 C11_6 H11A_6 109.5 . .
O1_6 C11_6 H11B_6 109.5 . .
H11A_6 C11_6 H11B_6 109.5 . .
O1_6 C11_6 H11C_6 109.5 . .
H11A_6 C11_6 H11C_6 109.5 . .
H11B_6 C11_6 H11C_6 109.5 . .
O2_6 C12_6 H12A_6 109.5 . .
O2_6 C12_6 H12B_6 109.5 . .
H12A_6 C12_6 H12B_6 109.5 . .
O2_6 C12_6 H12C_6 109.5 . .
H12A_6 C12_6 H12C_6 109.5 . .
H12B_6 C12_6 H12C_6 109.5 . .
C1_7 N1_7 C5_7 118.1 . .
C1_7 N1_7 Cu7 127.3(2) . .
C5_7 N1_7 Cu7 114.2(2) . .
C10_7 N2_7 C6_7 117.4 . .
C10_7 N2_7 Cu7 127.0(2) . .
C6_7 N2_7 Cu7 114.8(2) . .
C3_7 O1_7 C11_7 118.8(2) . .
C8_7 O2_7 C12_7 118.7(2) . .
N1_7 C1_7 C2_7 123.5 . .
N1_7 C1_7 H1_7 118.3 . .
C2_7 C1_7 H1_7 118.3 . .
C1_7 C2_7 C3_7 118.1 . .
C1_7 C2_7 H2_7 120.9 . .
C3_7 C2_7 H2_7 121.0 . .
O1_7 C3_7 C2_7 114.8 . .
O1_7 C3_7 C4_7 125.3 . .
C2_7 C3_7 C4_7 119.9 . .
C3_7 C4_7 C5_7 117.9 . .
C3_7 C4_7 H4_7 121.0 . .
C5_7 C4_7 H4_7 121.1 . .
N1_7 C5_7 C4_7 122.5 . .
N1_7 C5_7 C6_7 114.2 . .
C4_7 C5_7 C6_7 123.3 . .
N2_7 C6_7 C7_7 123.0 . .
N2_7 C6_7 C5_7 113.7 . .
C7_7 C6_7 C5_7 123.3 . .
C6_7 C7_7 C8_7 118.0 . .
C6_7 C7_7 H7_7 120.9 . .
C8_7 C7_7 H7_7 121.0 . .
O2_7 C8_7 C9_7 115.4 . .
O2_7 C8_7 C7_7 125.4 . .
C9_7 C8_7 C7_7 119.2 . .
C10_7 C9_7 C8_7 118.6 . .
C10_7 C9_7 H9_7 120.7 . .
C8_7 C9_7 H9_7 120.8 . .
N2_7 C10_7 C9_7 123.8 . .
N2_7 C10_7 H10_7 118.1 . .
C9_7 C10_7 H10_7 118.1 . .
O1_7 C11_7 H11A_7 109.5 . .
O1_7 C11_7 H11B_7 109.5 . .
H11A_7 C11_7 H11B_7 109.5 . .
O1_7 C11_7 H11C_7 109.5 . .
H11A_7 C11_7 H11C_7 109.5 . .
H11B_7 C11_7 H11C_7 109.5 . .
O2_7 C12_7 H12A_7 109.5 . .
O2_7 C12_7 H12B_7 109.5 . .
H12A_7 C12_7 H12B_7 109.5 . .
O2_7 C12_7 H12C_7 109.5 . .
H12A_7 C12_7 H12C_7 109.5 . .
H12B_7 C12_7 H12C_7 109.5 . .
C1_8 N1_8 C5_8 118.1 . .
C1_8 N1_8 Cu8 126.53(19) . .
C5_8 N1_8 Cu8 115.27(19) . .
C10_8 N2_8 C6_8 117.4 . .
C10_8 N2_8 Cu8 127.9(2) . .
C6_8 N2_8 Cu8 114.8(2) . .
C3_8 O1_8 C11_8 118.8(2) . .
C8_8 O2_8 C12_8 119.4(2) . .
N1_8 C1_8 C2_8 123.5 . .
N1_8 C1_8 H1_8 118.3 . .
C2_8 C1_8 H1_8 118.3 . .
C1_8 C2_8 C3_8 118.1 . .
C1_8 C2_8 H2_8 120.9 . .
C3_8 C2_8 H2_8 121.0 . .
O1_8 C3_8 C2_8 114.8 . .
O1_8 C3_8 C4_8 125.3 . .
C2_8 C3_8 C4_8 119.9 . .
C3_8 C4_8 C5_8 117.9 . .
C3_8 C4_8 H4_8 121.0 . .
C5_8 C4_8 H4_8 121.1 . .
N1_8 C5_8 C4_8 122.5 . .
N1_8 C5_8 C6_8 114.2 . .
C4_8 C5_8 C6_8 123.3 . .
N2_8 C6_8 C7_8 123.0 . .
N2_8 C6_8 C5_8 113.7 . .
C7_8 C6_8 C5_8 123.3 . .
C6_8 C7_8 C8_8 118.0 . .
C6_8 C7_8 H7_8 120.9 . .
C8_8 C7_8 H7_8 121.0 . .
O2_8 C8_8 C9_8 115.4 . .
O2_8 C8_8 C7_8 125.4 . .
C9_8 C8_8 C7_8 119.2 . .
C10_8 C9_8 C8_8 118.6 . .
C10_8 C9_8 H9_8 120.7 . .
C8_8 C9_8 H9_8 120.7 . .
N2_8 C10_8 C9_8 123.8 . .
N2_8 C10_8 H10_8 118.1 . .
C9_8 C10_8 H10_8 118.1 . .
O1_8 C11_8 H11A_8 109.5 . .
O1_8 C11_8 H11B_8 109.5 . .
H11A_8 C11_8 H11B_8 109.5 . .
O1_8 C11_8 H11C_8 109.5 . .
H11A_8 C11_8 H11C_8 109.5 . .
H11B_8 C11_8 H11C_8 109.5 . .
O2_8 C12_8 H12A_8 109.5 . .
O2_8 C12_8 H12B_8 109.5 . .
H12A_8 C12_8 H12B_8 109.5 . .
O2_8 C12_8 H12C_8 109.5 . .
H12A_8 C12_8 H12C_8 109.5 . .
H12B_8 C12_8 H12C_8 109.5 . .
C1_9 N1_9 C5_9 118.1 . .
C1_9 N1_9 Cu9 127.4(3) . .
C5_9 N1_9 Cu9 114.4(3) . .
C10_9 N2_9 C6_9 117.4 . .
C10_9 N2_9 Cu9 128.1(3) . .
C6_9 N2_9 Cu9 114.1(3) . .
C3_9 O1_9 C11_9 118.7(2) . .
C8_9 O2_9 C12_9 118.9(2) . .
N1_9 C1_9 C2_9 123.5 . .
N1_9 C1_9 H1_9 118.3 . .
C2_9 C1_9 H1_9 118.3 . .
C1_9 C2_9 C3_9 118.1 . .
C1_9 C2_9 C11_24 91.7(5) . 1_455
C3_9 C2_9 C11_24 130.9(5) . 1_455
C1_9 C2_9 H2_9 120.9 . .
C3_9 C2_9 H2_9 121.0 . .
C11_24 C2_9 H2_9 48.3 1_455 .
O1_9 C3_9 C2_9 114.8 . .
O1_9 C3_9 C4_9 125.3 . .
C2_9 C3_9 C4_9 119.9 . .
C3_9 C4_9 C5_9 117.9 . .
C3_9 C4_9 H4_9 121.0 . .
C5_9 C4_9 H4_9 121.1 . .
N1_9 C5_9 C4_9 122.5 . .
N1_9 C5_9 C6_9 114.2 . .
C4_9 C5_9 C6_9 123.3 . .
N2_9 C6_9 C7_9 123.0 . .
N2_9 C6_9 C5_9 113.7 . .
C7_9 C6_9 C5_9 123.3 . .
C6_9 C7_9 C8_9 118.0 . .
C6_9 C7_9 H7_9 120.9 . .
C8_9 C7_9 H7_9 121.0 . .
O2_9 C8_9 C9_9 115.4 . .
O2_9 C8_9 C7_9 125.4 . .
C9_9 C8_9 C7_9 119.2 . .
C10_9 C9_9 C8_9 118.6 . .
C10_9 C9_9 H9_9 120.7 . .
C8_9 C9_9 H9_9 120.8 . .
N2_9 C10_9 C9_9 123.8 . .
N2_9 C10_9 H10_9 118.1 . .
C9_9 C10_9 H10_9 118.1 . .
O1_9 C11_9 H11A_9 109.5 . .
O1_9 C11_9 H11B_9 109.5 . .
H11A_9 C11_9 H11B_9 109.5 . .
O1_9 C11_9 H11C_9 109.5 . .
H11A_9 C11_9 H11C_9 109.5 . .
H11B_9 C11_9 H11C_9 109.5 . .
O2_9 C12_9 H12A_9 109.5 . .
O2_9 C12_9 H12B_9 109.5 . .
H12A_9 C12_9 H12B_9 109.5 . .
O2_9 C12_9 H12C_9 109.5 . .
H12A_9 C12_9 H12C_9 109.5 . .
H12B_9 C12_9 H12C_9 109.5 . .
C1_10 N1_10 C5_10 118.1 . .
C1_10 N1_10 Cu10 128.6(3) . .
C5_10 N1_10 Cu10 113.2(3) . .
C10_10 N2_10 C6_10 117.4 . .
C10_10 N2_10 Cu10 125.1(3) . .
C6_10 N2_10 Cu10 117.5(3) . .
C3_10 O1_10 C11_10 118.7(2) . .
C8_10 O2_10 C12_10 118.8(2) . .
N1_10 C1_10 C2_10 123.5 . .
N1_10 C1_10 H1_10 118.3 . .
C2_10 C1_10 H1_10 118.3 . .
C1_10 C2_10 C3_10 118.1 . .
C1_10 C2_10 H2_10 120.9 . .
C3_10 C2_10 H2_10 121.0 . .
O1_10 C3_10 C2_10 114.8 . .
O1_10 C3_10 C4_10 125.3 . .
C2_10 C3_10 C4_10 119.9 . .
C3_10 C4_10 C5_10 117.9 . .
C3_10 C4_10 H4_10 121.0 . .
C5_10 C4_10 H4_10 121.1 . .
N1_10 C5_10 C4_10 122.5 . .
N1_10 C5_10 C6_10 114.2 . .
C4_10 C5_10 C6_10 123.3 . .
N2_10 C6_10 C7_10 123.0 . .
N2_10 C6_10 C5_10 113.7 . .
C7_10 C6_10 C5_10 123.3 . .
C6_10 C7_10 C8_10 118.0 . .
C6_10 C7_10 H7_10 120.9 . .
C8_10 C7_10 H7_10 121.0 . .
O2_10 C8_10 C9_10 115.4 . .
O2_10 C8_10 C7_10 125.4 . .
C9_10 C8_10 C7_10 119.2 . .
C10_10 C9_10 C8_10 118.6 . .
C10_10 C9_10 H9_10 120.7 . .
C8_10 C9_10 H9_10 120.8 . .
N2_10 C10_10 C9_10 123.8 . .
N2_10 C10_10 H10_10 118.1 . .
C9_10 C10_10 H10_10 118.1 . .
O1_10 C11_10 H11A_10 109.5 . .
O1_10 C11_10 H11B_10 109.5 . .
H11A_10 C11_10 H11B_10 109.5 . .
O1_10 C11_10 H11C_10 109.5 . .
H11A_10 C11_10 H11C_10 109.5 . .
H11B_10 C11_10 H11C_10 109.5 . .
O2_10 C12_10 H12A_10 109.5 . .
O2_10 C12_10 H12B_10 109.5 . .
H12A_10 C12_10 H12B_10 109.5 . .
O2_10 C12_10 H12C_10 109.5 . .
H12A_10 C12_10 H12C_10 109.5 . .
H12B_10 C12_10 H12C_10 109.5 . .
C1_11 N1_11 C5_11 118.1 . .
C1_11 N1_11 Cu11 124.8(3) . .
C5_11 N1_11 Cu11 116.9(3) . .
C10_11 N2_11 C6_11 117.4 . .
C10_11 N2_11 Cu11 127.2(3) . .
C6_11 N2_11 Cu11 114.8(3) . .
C3_11 O1_11 C11_11 118.6(2) . .
C8_11 O2_11 C12_11 118.9(2) . .
N1_11 C1_11 C2_11 123.5 . .
N1_11 C1_11 H1_11 118.3 . .
C2_11 C1_11 H1_11 118.3 . .
C1_11 C2_11 C3_11 118.1 . .
C1_11 C2_11 H2_11 120.9 . .
C3_11 C2_11 H2_11 121.0 . .
O1_11 C3_11 C2_11 114.8 . .
O1_11 C3_11 C4_11 125.3 . .
C2_11 C3_11 C4_11 119.9 . .
C3_11 C4_11 C5_11 117.9 . .
C3_11 C4_11 C12_2 110.6(5) . 1_655
C5_11 C4_11 C12_2 63.2(4) . 1_655
C3_11 C4_11 H4_11 121.0 . .
C5_11 C4_11 H4_11 121.1 . .
C12_2 C4_11 H4_11 95.5 1_655 .
N1_11 C5_11 C4_11 122.5 . .
N1_11 C5_11 C6_11 114.2 . .
C4_11 C5_11 C6_11 123.3 . .
N1_11 C5_11 C12_2 106.7(6) . 1_655
C4_11 C5_11 C12_2 74.8(6) . 1_655
C6_11 C5_11 C12_2 89.4(6) . 1_655
N2_11 C6_11 C7_11 123.0 . .
N2_11 C6_11 C5_11 113.7 . .
C7_11 C6_11 C5_11 123.3 . .
C6_11 C7_11 C8_11 118.0 . .
C6_11 C7_11 H7_11 120.9 . .
C8_11 C7_11 H7_11 121.0 . .
O2_11 C8_11 C9_11 115.4 . .
O2_11 C8_11 C7_11 125.4 . .
C9_11 C8_11 C7_11 119.2 . .
C10_11 C9_11 C8_11 118.6 . .
C10_11 C9_11 H9_11 120.7 . .
C8_11 C9_11 H9_11 120.8 . .
N2_11 C10_11 C9_11 123.8 . .
N2_11 C10_11 H10_11 118.1 . .
C9_11 C10_11 H10_11 118.1 . .
O1_11 C11_11 H11A_11 109.5 . .
O1_11 C11_11 H11B_11 109.5 . .
H11A_11 C11_11 H11B_11 109.5 . .
O1_11 C11_11 H11C_11 109.5 . .
H11A_11 C11_11 H11C_11 109.5 . .
H11B_11 C11_11 H11C_11 109.5 . .
O2_11 C12_11 H12A_11 109.5 . .
O2_11 C12_11 H12B_11 109.5 . .
H12A_11 C12_11 H12B_11 109.5 . .
O2_11 C12_11 H12C_11 109.5 . .
H12A_11 C12_11 H12C_11 109.5 . .
H12B_11 C12_11 H12C_11 109.5 . .
C1_12 N1_12 C5_12 118.1 . .
C1_12 N1_12 Cu12 127.3(3) . .
C5_12 N1_12 Cu12 114.5(3) . .
C10_12 N2_12 C6_12 117.4 . .
C10_12 N2_12 Cu12 127.8(2) . .
C6_12 N2_12 Cu12 114.9(2) . .
C3_12 O1_12 C11_12 118.7(2) . .
C8_12 O2_12 C12_12 118.7(2) . .
N1_12 C1_12 C2_12 123.5 . .
N1_12 C1_12 H1_12 118.3 . .
C2_12 C1_12 H1_12 118.3 . .
C1_12 C2_12 C3_12 118.1 . .
C1_12 C2_12 H2_12 120.9 . .
C3_12 C2_12 H2_12 121.0 . .
O1_12 C3_12 C2_12 114.8 . .
O1_12 C3_12 C4_12 125.3 . .
C2_12 C3_12 C4_12 119.9 . .
C3_12 C4_12 C5_12 117.9 . .
C3_12 C4_12 H4_12 121.0 . .
C5_12 C4_12 H4_12 121.1 . .
N1_12 C5_12 C4_12 122.5 . .
N1_12 C5_12 C6_12 114.2 . .
C4_12 C5_12 C6_12 123.3 . .
N2_12 C6_12 C7_12 123.0 . .
N2_12 C6_12 C5_12 113.7 . .
C7_12 C6_12 C5_12 123.3 . .
C6_12 C7_12 C8_12 118.0 . .
C6_12 C7_12 H7_12 121.0 . .
C8_12 C7_12 H7_12 121.0 . .
O2_12 C8_12 C9_12 115.4 . .
O2_12 C8_12 C7_12 125.4 . .
C9_12 C8_12 C7_12 119.2 . .
C10_12 C9_12 C8_12 118.6 . .
C10_12 C9_12 H9_12 120.7 . .
C8_12 C9_12 H9_12 120.8 . .
N2_12 C10_12 C9_12 123.8 . .
N2_12 C10_12 H10_12 118.1 . .
C9_12 C10_12 H10_12 118.1 . .
O1_12 C11_12 H11A_12 109.5 . .
O1_12 C11_12 H11B_12 109.5 . .
H11A_12 C11_12 H11B_12 109.5 . .
O1_12 C11_12 H11C_12 109.5 . .
H11A_12 C11_12 H11C_12 109.5 . .
H11B_12 C11_12 H11C_12 109.5 . .
O2_12 C12_12 H12A_12 109.5 . .
O2_12 C12_12 H12B_12 109.5 . .
H12A_12 C12_12 H12B_12 109.5 . .
O2_12 C12_12 H12C_12 109.5 . .
H12A_12 C12_12 H12C_12 109.5 . .
H12B_12 C12_12 H12C_12 109.5 . .
C1_13 N1_13 C5_13 118.1 . .
C1_13 N1_13 Cu13 126.2(2) . .
C5_13 N1_13 Cu13 115.6(2) . .
C10_13 N2_13 C6_13 117.4 . .
C10_13 N2_13 Cu13 125.9(2) . .
C6_13 N2_13 Cu13 116.8(2) . .
C3_13 O1_13 C11_13 118.7(2) . .
C8_13 O2_13 C12_13 118.9(2) . .
N1_13 C1_13 C2_13 123.5 . .
N1_13 C1_13 H1_13 118.3 . .
C2_13 C1_13 H1_13 118.3 . .
C1_13 C2_13 C3_13 118.1 . .
C1_13 C2_13 H2_13 120.9 . .
C3_13 C2_13 H2_13 121.0 . .
O1_13 C3_13 C2_13 114.8 . .
O1_13 C3_13 C4_13 125.3 . .
C2_13 C3_13 C4_13 119.9 . .
C3_13 C4_13 C5_13 117.9 . .
C3_13 C4_13 H4_13 121.0 . .
C5_13 C4_13 H4_13 121.1 . .
N1_13 C5_13 C4_13 122.5 . .
N1_13 C5_13 C6_13 114.2 . .
C4_13 C5_13 C6_13 123.3 . .
N2_13 C6_13 C7_13 123.0 . .
N2_13 C6_13 C5_13 113.7 . .
C7_13 C6_13 C5_13 123.3 . .
C6_13 C7_13 C8_13 118.0 . .
C6_13 C7_13 H7_13 120.9 . .
C8_13 C7_13 H7_13 121.0 . .
O2_13 C8_13 C9_13 115.4 . .
O2_13 C8_13 C7_13 125.4 . .
C9_13 C8_13 C7_13 119.2 . .
C10_13 C9_13 C8_13 118.6 . .
C10_13 C9_13 H9_13 120.7 . .
C8_13 C9_13 H9_13 120.8 . .
N2_13 C10_13 C9_13 123.8 . .
N2_13 C10_13 H10_13 118.1 . .
C9_13 C10_13 H10_13 118.1 . .
O1_13 C11_13 H11A_13 109.5 . .
O1_13 C11_13 H11B_13 109.5 . .
H11A_13 C11_13 H11B_13 109.5 . .
O1_13 C11_13 H11C_13 109.5 . .
H11A_13 C11_13 H11C_13 109.5 . .
H11B_13 C11_13 H11C_13 109.5 . .
O2_13 C12_13 C12_16 112.4(7) . 2_666
O2_13 C12_13 H12A_13 109.5 . .
C12_16 C12_13 H12A_13 20.5 2_666 .
O2_13 C12_13 H12B_13 109.5 . .
C12_16 C12_13 H12B_13 123.9 2_666 .
H12A_13 C12_13 H12B_13 109.5 . .
O2_13 C12_13 H12C_13 109.5 . .
C12_16 C12_13 H12C_13 89.9 2_666 .
H12A_13 C12_13 H12C_13 109.5 . .
H12B_13 C12_13 H12C_13 109.5 . .
C1_14 N1_14 C5_14 118.1 . .
C1_14 N1_14 Cu14 127.6(2) . .
C5_14 N1_14 Cu14 114.3(2) . .
C10_14 N2_14 C6_14 117.4 . .
C10_14 N2_14 Cu14 127.1(2) . .
C6_14 N2_14 Cu14 115.3(2) . .
C3_14 O1_14 C11_14 118.7(2) . .
C8_14 O2_14 C12_14 118.8(2) . .
N1_14 C1_14 C2_14 123.5 . .
N1_14 C1_14 H1_14 118.3 . .
C2_14 C1_14 H1_14 118.3 . .
C1_14 C2_14 C3_14 118.1 . .
C1_14 C2_14 H2_14 120.9 . .
C3_14 C2_14 H2_14 121.0 . .
O1_14 C3_14 C2_14 114.8 . .
O1_14 C3_14 C4_14 125.3 . .
C2_14 C3_14 C4_14 119.9 . .
C3_14 C4_14 C5_14 117.9 . .
C3_14 C4_14 H4_14 121.0 . .
C5_14 C4_14 H4_14 121.1 . .
N1_14 C5_14 C4_14 122.5 . .
N1_14 C5_14 C6_14 114.2 . .
C4_14 C5_14 C6_14 123.3 . .
N2_14 C6_14 C7_14 123.0 . .
N2_14 C6_14 C5_14 113.7 . .
C7_14 C6_14 C5_14 123.3 . .
C6_14 C7_14 C8_14 118.0 . .
C6_14 C7_14 H7_14 120.9 . .
C8_14 C7_14 H7_14 121.0 . .
O2_14 C8_14 C9_14 115.4 . .
O2_14 C8_14 C7_14 125.4 . .
C9_14 C8_14 C7_14 119.2 . .
C10_14 C9_14 C8_14 118.6 . .
C10_14 C9_14 H9_14 120.7 . .
C8_14 C9_14 H9_14 120.8 . .
N2_14 C10_14 C9_14 123.8 . .
N2_14 C10_14 H10_14 118.1 . .
C9_14 C10_14 H10_14 118.1 . .
O1_14 C11_14 H11A_14 109.5 . .
O1_14 C11_14 H11B_14 109.5 . .
H11A_14 C11_14 H11B_14 109.5 . .
O1_14 C11_14 H11C_14 109.5 . .
H11A_14 C11_14 H11C_14 109.5 . .
H11B_14 C11_14 H11C_14 109.5 . .
O2_14 C12_14 H12A_14 109.5 . .
O2_14 C12_14 H12B_14 109.5 . .
H12A_14 C12_14 H12B_14 109.5 . .
O2_14 C12_14 H12C_14 109.5 . .
H12A_14 C12_14 H12C_14 109.5 . .
H12B_14 C12_14 H12C_14 109.5 . .
C1_15 N1_15 C5_15 118.1 . .
C1_15 N1_15 Cu15 127.59(19) . .
C5_15 N1_15 Cu15 114.14(19) . .
C10_15 N2_15 C6_15 117.4 . .
C10_15 N2_15 Cu15 126.3(2) . .
C6_15 N2_15 Cu15 115.8(2) . .
C3_15 O1_15 C11_15 118.7(2) . .
C8_15 O2_15 C12_15 118.8(2) . .
N1_15 C1_15 C2_15 123.5 . .
N1_15 C1_15 H1_15 118.3 . .
C2_15 C1_15 H1_15 118.3 . .
C1_15 C2_15 C3_15 118.1 . .
C1_15 C2_15 H2_15 120.9 . .
C3_15 C2_15 H2_15 121.0 . .
O1_15 C3_15 C2_15 114.8 . .
O1_15 C3_15 C4_15 125.3 . .
C2_15 C3_15 C4_15 119.9 . .
C3_15 C4_15 C5_15 117.9 . .
C3_15 C4_15 H4_15 121.0 . .
C5_15 C4_15 H4_15 121.1 . .
N1_15 C5_15 C4_15 122.5 . .
N1_15 C5_15 C6_15 114.2 . .
C4_15 C5_15 C6_15 123.3 . .
N2_15 C6_15 C7_15 123.0 . .
N2_15 C6_15 C5_15 113.7 . .
C7_15 C6_15 C5_15 123.3 . .
C6_15 C7_15 C8_15 118.0 . .
C6_15 C7_15 H7_15 120.9 . .
C8_15 C7_15 H7_15 121.0 . .
O2_15 C8_15 C9_15 115.4 . .
O2_15 C8_15 C7_15 125.4 . .
C9_15 C8_15 C7_15 119.2 . .
C10_15 C9_15 C8_15 118.6 . .
C10_15 C9_15 H9_15 120.7 . .
C8_15 C9_15 H9_15 120.8 . .
N2_15 C10_15 C9_15 123.8 . .
N2_15 C10_15 H10_15 118.1 . .
C9_15 C10_15 H10_15 118.1 . .
O1_15 C11_15 H11A_15 109.5 . .
O1_15 C11_15 H11B_15 109.5 . .
H11A_15 C11_15 H11B_15 109.5 . .
O1_15 C11_15 H11C_15 109.5 . .
H11A_15 C11_15 H11C_15 109.5 . .
H11B_15 C11_15 H11C_15 109.5 . .
O2_15 C12_15 H12A_15 109.5 . .
O2_15 C12_15 H12B_15 109.5 . .
H12A_15 C12_15 H12B_15 109.5 . .
O2_15 C12_15 H12C_15 109.5 . .
H12A_15 C12_15 H12C_15 109.5 . .
H12B_15 C12_15 H12C_15 109.5 . .
C1_16 N1_16 C5_16 118.1 . .
C1_16 N1_16 Cu16 127.76(18) . .
C5_16 N1_16 Cu16 113.61(18) . .
C10_16 N2_16 C6_16 117.4 . .
C10_16 N2_16 Cu16 126.73(17) . .
C6_16 N2_16 Cu16 114.73(18) . .
C3_16 O1_16 C11_16 118.7(2) . .
C8_16 O2_16 C12_16 118.9(2) . .
N1_16 C1_16 C2_16 123.5 . .
N1_16 C1_16 H1_16 118.3 . .
C2_16 C1_16 H1_16 118.3 . .
C1_16 C2_16 C3_16 118.1 . .
C1_16 C2_16 H2_16 120.9 . .
C3_16 C2_16 H2_16 121.0 . .
O1_16 C3_16 C2_16 114.8 . .
O1_16 C3_16 C4_16 125.3 . .
C2_16 C3_16 C4_16 119.9 . .
C3_16 C4_16 C5_16 117.9 . .
C3_16 C4_16 H4_16 121.0 . .
C5_16 C4_16 H4_16 121.1 . .
N1_16 C5_16 C4_16 122.5 . .
N1_16 C5_16 C6_16 114.2 . .
C4_16 C5_16 C6_16 123.3 . .
N2_16 C6_16 C7_16 123.0 . .
N2_16 C6_16 C5_16 113.7 . .
C7_16 C6_16 C5_16 123.3 . .
C6_16 C7_16 C8_16 118.0 . .
C6_16 C7_16 H7_16 120.9 . .
C8_16 C7_16 H7_16 121.0 . .
O2_16 C8_16 C9_16 115.4 . .
O2_16 C8_16 C7_16 125.4 . .
C9_16 C8_16 C7_16 119.2 . .
C10_16 C9_16 C8_16 118.6 . .
C10_16 C9_16 H9_16 120.7 . .
C8_16 C9_16 H9_16 120.8 . .
N2_16 C10_16 C9_16 123.8 . .
N2_16 C10_16 H10_16 118.1 . .
C9_16 C10_16 H10_16 118.1 . .
O1_16 C11_16 H11A_16 109.5 . .
O1_16 C11_16 H11B_16 109.5 . .
H11A_16 C11_16 H11B_16 109.5 . .
O1_16 C11_16 H11C_16 109.5 . .
H11A_16 C11_16 H11C_16 109.5 . .
H11B_16 C11_16 H11C_16 109.5 . .
O2_16 C12_16 C12_13 125.8(7) . 2_666
O2_16 C12_16 H12A_16 109.5 . .
C12_13 C12_16 H12A_16 17.7 2_666 .
O2_16 C12_16 H12B_16 109.5 . .
C12_13 C12_16 H12B_16 95.4 2_666 .
H12A_16 C12_16 H12B_16 109.5 . .
O2_16 C12_16 H12C_16 109.5 . .
C12_13 C12_16 H12C_16 105.8 2_666 .
H12A_16 C12_16 H12C_16 109.5 . .
H12B_16 C12_16 H12C_16 109.5 . .
C1_17 N1_17 C5_17 118.1 . .
C1_17 N1_17 Cu17 128.0(3) . .
C5_17 N1_17 Cu17 113.9(3) . .
C10_17 N2_17 C6_17 117.4 . .
C10_17 N2_17 Cu17 128.9(3) . .
C6_17 N2_17 Cu17 113.8(3) . .
C3_17 O1_17 C11_17 118.7(2) . .
C8_17 O2_17 C12_17 118.8(2) . .
N1_17 C1_17 C2_17 123.5 . .
N1_17 C1_17 H1_17 118.3 . .
C2_17 C1_17 H1_17 118.3 . .
C1_17 C2_17 C3_17 118.1 . .
C1_17 C2_17 H2_17 120.9 . .
C3_17 C2_17 H2_17 121.0 . .
O1_17 C3_17 C2_17 114.8 . .
O1_17 C3_17 C4_17 125.3 . .
C2_17 C3_17 C4_17 119.9 . .
C3_17 C4_17 C5_17 117.9 . .
C3_17 C4_17 H4_17 121.0 . .
C5_17 C4_17 H4_17 121.1 . .
N1_17 C5_17 C4_17 122.5 . .
N1_17 C5_17 C6_17 114.2 . .
C4_17 C5_17 C6_17 123.3 . .
N2_17 C6_17 C7_17 123.0 . .
N2_17 C6_17 C5_17 113.7 . .
C7_17 C6_17 C5_17 123.3 . .
C6_17 C7_17 C8_17 118.0 . .
C6_17 C7_17 H7_17 120.9 . .
C8_17 C7_17 H7_17 121.0 . .
O2_17 C8_17 C9_17 115.4 . .
O2_17 C8_17 C7_17 125.4 . .
C9_17 C8_17 C7_17 119.2 . .
C10_17 C9_17 C8_17 118.6 . .
C10_17 C9_17 H9_17 120.7 . .
C8_17 C9_17 H9_17 120.8 . .
N2_17 C10_17 C9_17 123.8 . .
N2_17 C10_17 H10_17 118.1 . .
C9_17 C10_17 H10_17 118.1 . .
O1_17 C11_17 H11A_17 109.5 . .
O1_17 C11_17 H11B_17 109.5 . .
H11A_17 C11_17 H11B_17 109.5 . .
O1_17 C11_17 H11C_17 109.5 . .
H11A_17 C11_17 H11C_17 109.5 . .
H11B_17 C11_17 H11C_17 109.5 . .
O2_17 C12_17 H12A_17 109.5 . .
O2_17 C12_17 H12B_17 109.5 . .
H12A_17 C12_17 H12B_17 109.5 . .
O2_17 C12_17 H12C_17 109.5 . .
H12A_17 C12_17 H12C_17 109.5 . .
H12B_17 C12_17 H12C_17 109.5 . .
C1_18 N1_18 C5_18 118.1 . .
C1_18 N1_18 Cu18 128.6(3) . .
C5_18 N1_18 Cu18 113.2(3) . .
C10_18 N2_18 C6_18 117.4 . .
C10_18 N2_18 Cu18 126.0(3) . .
C6_18 N2_18 Cu18 116.7(3) . .
C3_18 O1_18 C11_18 118.6(2) . .
C8_18 O2_18 C12_18 118.7(2) . .
N1_18 C1_18 C2_18 123.5 . .
N1_18 C1_18 H1_18 118.3 . .
C2_18 C1_18 H1_18 118.3 . .
C1_18 C2_18 C3_18 118.1 . .
C1_18 C2_18 H2_18 120.9 . .
C3_18 C2_18 H2_18 121.0 . .
O1_18 C3_18 C2_18 114.8 . .
O1_18 C3_18 C4_18 125.3 . .
C2_18 C3_18 C4_18 119.9 . .
C3_18 C4_18 C5_18 117.9 . .
C3_18 C4_18 H4_18 121.0 . .
C5_18 C4_18 H4_18 121.1 . .
N1_18 C5_18 C4_18 122.5 . .
N1_18 C5_18 C6_18 114.2 . .
C4_18 C5_18 C6_18 123.3 . .
N2_18 C6_18 C7_18 123.0 . .
N2_18 C6_18 C5_18 113.7 . .
C7_18 C6_18 C5_18 123.3 . .
C6_18 C7_18 C8_18 118.0 . .
C6_18 C7_18 H7_18 120.9 . .
C8_18 C7_18 H7_18 121.0 . .
O2_18 C8_18 C9_18 115.4 . .
O2_18 C8_18 C7_18 125.4 . .
C9_18 C8_18 C7_18 119.2 . .
C10_18 C9_18 C8_18 118.6 . .
C10_18 C9_18 H9_18 120.7 . .
C8_18 C9_18 H9_18 120.8 . .
N2_18 C10_18 C9_18 123.8 . .
N2_18 C10_18 H10_18 118.1 . .
C9_18 C10_18 H10_18 118.1 . .
O1_18 C11_18 H11A_18 109.5 . .
O1_18 C11_18 H11B_18 109.5 . .
H11A_18 C11_18 H11B_18 109.5 . .
O1_18 C11_18 H11C_18 109.5 . .
H11A_18 C11_18 H11C_18 109.5 . .
H11B_18 C11_18 H11C_18 109.5 . .
O2_18 C12_18 H12A_18 109.5 . .
O2_18 C12_18 H12B_18 109.5 . .
H12A_18 C12_18 H12B_18 109.5 . .
O2_18 C12_18 H12C_18 109.5 . .
H12A_18 C12_18 H12C_18 109.5 . .
H12B_18 C12_18 H12C_18 109.5 . .
C1_19 N1_19 C5_19 118.1 . .
C1_19 N1_19 Cu19 126.46(18) . .
C5_19 N1_19 Cu19 115.45(18) . .
C10_19 N2_19 C6_19 117.4 . .
C10_19 N2_19 Cu19 126.82(17) . .
C6_19 N2_19 Cu19 115.68(17) . .
C3_19 O1_19 C11_19 119.0(2) . .
C8_19 O2_19 C12_19 118.8(2) . .
N1_19 C1_19 C2_19 123.5 . .
N1_19 C1_19 H1_19 118.3 . .
C2_19 C1_19 H1_19 118.3 . .
C1_19 C2_19 C3_19 118.1 . .
C1_19 C2_19 H2_19 120.9 . .
C3_19 C2_19 H2_19 121.0 . .
O1_19 C3_19 C2_19 114.8 . .
O1_19 C3_19 C4_19 125.3 . .
C2_19 C3_19 C4_19 119.9 . .
C3_19 C4_19 C5_19 117.9 . .
C3_19 C4_19 H4_19 121.0 . .
C5_19 C4_19 H4_19 121.1 . .
N1_19 C5_19 C4_19 122.5 . .
N1_19 C5_19 C6_19 114.2 . .
C4_19 C5_19 C6_19 123.3 . .
N2_19 C6_19 C7_19 123.0 . .
N2_19 C6_19 C5_19 113.7 . .
C7_19 C6_19 C5_19 123.3 . .
C6_19 C7_19 C8_19 118.0 . .
C6_19 C7_19 H7_19 120.9 . .
C8_19 C7_19 H7_19 121.0 . .
O2_19 C8_19 C9_19 115.4 . .
O2_19 C8_19 C7_19 125.4 . .
C9_19 C8_19 C7_19 119.2 . .
C10_19 C9_19 C8_19 118.6 . .
C10_19 C9_19 H9_19 120.7 . .
C8_19 C9_19 H9_19 120.7 . .
N2_19 C10_19 C9_19 123.8 . .
N2_19 C10_19 H10_19 118.1 . .
C9_19 C10_19 H10_19 118.1 . .
O1_19 C11_19 H11A_19 109.5 . .
O1_19 C11_19 H11B_19 109.5 . .
H11A_19 C11_19 H11B_19 109.5 . .
O1_19 C11_19 H11C_19 109.5 . .
H11A_19 C11_19 H11C_19 109.5 . .
H11B_19 C11_19 H11C_19 109.5 . .
O2_19 C12_19 H12A_19 109.5 . .
O2_19 C12_19 H12B_19 109.5 . .
H12A_19 C12_19 H12B_19 109.5 . .
O2_19 C12_19 H12C_19 109.5 . .
H12A_19 C12_19 H12C_19 109.5 . .
H12B_19 C12_19 H12C_19 109.5 . .
C1_20 N1_20 C5_20 118.1 . .
C1_20 N1_20 Cu20 125.6(2) . .
C5_20 N1_20 Cu20 116.2(2) . .
C10_20 N2_20 C6_20 117.4 . .
C10_20 N2_20 Cu20 127.8(2) . .
C6_20 N2_20 Cu20 114.8(2) . .
C3_20 O1_20 C11_20 118.7(2) . .
C8_20 O2_20 C12_20 118.8(2) . .
N1_20 C1_20 C2_20 123.5 . .
N1_20 C1_20 H1_20 118.3 . .
C2_20 C1_20 H1_20 118.3 . .
C1_20 C2_20 C3_20 118.1 . .
C1_20 C2_20 H2_20 120.9 . .
C3_20 C2_20 H2_20 121.0 . .
O1_20 C3_20 C2_20 114.8 . .
O1_20 C3_20 C4_20 125.3 . .
C2_20 C3_20 C4_20 119.9 . .
C3_20 C4_20 C5_20 117.9 . .
C3_20 C4_20 H4_20 121.0 . .
C5_20 C4_20 H4_20 121.1 . .
N1_20 C5_20 C4_20 122.5 . .
N1_20 C5_20 C6_20 114.2 . .
C4_20 C5_20 C6_20 123.3 . .
N2_20 C6_20 C7_20 123.0 . .
N2_20 C6_20 C5_20 113.7 . .
C7_20 C6_20 C5_20 123.3 . .
C6_20 C7_20 C8_20 118.0 . .
C6_20 C7_20 H7_20 120.9 . .
C8_20 C7_20 H7_20 121.0 . .
O2_20 C8_20 C9_20 115.4 . .
O2_20 C8_20 C7_20 125.4 . .
C9_20 C8_20 C7_20 119.2 . .
C10_20 C9_20 C8_20 118.6 . .
C10_20 C9_20 H9_20 120.7 . .
C8_20 C9_20 H9_20 120.8 . .
N2_20 C10_20 C9_20 123.8 . .
N2_20 C10_20 H10_20 118.1 . .
C9_20 C10_20 H10_20 118.1 . .
O1_20 C11_20 H11A_20 109.5 . .
O1_20 C11_20 H11B_20 109.5 . .
H11A_20 C11_20 H11B_20 109.5 . .
O1_20 C11_20 H11C_20 109.5 . .
H11A_20 C11_20 H11C_20 109.5 . .
H11B_20 C11_20 H11C_20 109.5 . .
O2_20 C12_20 H12A_20 109.5 . .
O2_20 C12_20 H12B_20 109.5 . .
H12A_20 C12_20 H12B_20 109.5 . .
O2_20 C12_20 H12C_20 109.5 . .
H12A_20 C12_20 H12C_20 109.5 . .
H12B_20 C12_20 H12C_20 109.5 . .
C1_21 N1_21 C5_21 118.1 . .
C1_21 N1_21 Cu21 127.3(2) . .
C5_21 N1_21 Cu21 114.3(2) . .
C10_21 N2_21 C6_21 117.4 . .
C10_21 N2_21 Cu21 128.2(2) . .
C6_21 N2_21 Cu21 113.7(2) . .
C3_21 O1_21 C11_21 118.7(2) . .
C8_21 O2_21 C12_21 118.9(2) . .
N1_21 C1_21 C2_21 123.5 . .
N1_21 C1_21 H1_21 118.3 . .
C2_21 C1_21 H1_21 118.3 . .
C1_21 C2_21 C3_21 118.1 . .
C1_21 C2_21 H2_21 120.9 . .
C3_21 C2_21 H2_21 121.0 . .
O1_21 C3_21 C2_21 114.8 . .
O1_21 C3_21 C4_21 125.3 . .
C2_21 C3_21 C4_21 119.9 . .
C3_21 C4_21 C5_21 117.9 . .
C3_21 C4_21 H4_21 121.0 . .
C5_21 C4_21 H4_21 121.1 . .
N1_21 C5_21 C4_21 122.5 . .
N1_21 C5_21 C6_21 114.2 . .
C4_21 C5_21 C6_21 123.3 . .
N2_21 C6_21 C7_21 123.0 . .
N2_21 C6_21 C5_21 113.7 . .
C7_21 C6_21 C5_21 123.3 . .
C6_21 C7_21 C8_21 118.1 . .
C6_21 C7_21 H7_21 120.9 . .
C8_21 C7_21 H7_21 121.0 . .
O2_21 C8_21 C9_21 115.4 . .
O2_21 C8_21 C7_21 125.4 . .
C9_21 C8_21 C7_21 119.2 . .
C10_21 C9_21 C8_21 118.6 . .
C10_21 C9_21 H9_21 120.7 . .
C8_21 C9_21 H9_21 120.7 . .
N2_21 C10_21 C9_21 123.8 . .
N2_21 C10_21 H10_21 118.1 . .
C9_21 C10_21 H10_21 118.1 . .
O1_21 C11_21 H11A_21 109.5 . .
O1_21 C11_21 H11B_21 109.5 . .
H11A_21 C11_21 H11B_21 109.5 . .
O1_21 C11_21 H11C_21 109.5 . .
H11A_21 C11_21 H11C_21 109.5 . .
H11B_21 C11_21 H11C_21 109.5 . .
O2_21 C12_21 H12A_21 109.5 . .
O2_21 C12_21 H12B_21 109.5 . .
H12A_21 C12_21 H12B_21 109.5 . .
O2_21 C12_21 H12C_21 109.5 . .
H12A_21 C12_21 H12C_21 109.5 . .
H12B_21 C12_21 H12C_21 109.5 . .
C1_22 N1_22 C5_22 118.1 . .
C1_22 N1_22 Cu22 127.6(2) . .
C5_22 N1_22 Cu22 114.3(2) . .
C10_22 N2_22 C6_22 117.4 . .
C10_22 N2_22 Cu22 127.5(3) . .
C6_22 N2_22 Cu22 115.1(3) . .
C3_22 O1_22 C11_22 118.7(2) . .
C8_22 O2_22 C12_22 118.7(2) . .
N1_22 C1_22 C2_22 123.5 . .
N1_22 C1_22 H1_22 118.3 . .
C2_22 C1_22 H1_22 118.3 . .
C1_22 C2_22 C3_22 118.1 . .
C1_22 C2_22 H2_22 120.9 . .
C3_22 C2_22 H2_22 121.0 . .
O1_22 C3_22 C2_22 114.8 . .
O1_22 C3_22 C4_22 125.3 . .
C2_22 C3_22 C4_22 119.9 . .
C3_22 C4_22 C5_22 117.9 . .
C3_22 C4_22 H4_22 121.0 . .
C5_22 C4_22 H4_22 121.1 . .
N1_22 C5_22 C4_22 122.5 . .
N1_22 C5_22 C6_22 114.2 . .
C4_22 C5_22 C6_22 123.3 . .
N2_22 C6_22 C7_22 123.0 . .
N2_22 C6_22 C5_22 113.7 . .
C7_22 C6_22 C5_22 123.3 . .
C6_22 C7_22 C8_22 118.0 . .
C6_22 C7_22 H7_22 120.9 . .
C8_22 C7_22 H7_22 121.0 . .
O2_22 C8_22 C9_22 115.4 . .
O2_22 C8_22 C7_22 125.4 . .
C9_22 C8_22 C7_22 119.2 . .
C10_22 C9_22 C8_22 118.6 . .
C10_22 C9_22 H9_22 120.7 . .
C8_22 C9_22 H9_22 120.8 . .
N2_22 C10_22 C9_22 123.8 . .
N2_22 C10_22 H10_22 118.1 . .
C9_22 C10_22 H10_22 118.1 . .
O1_22 C11_22 H11A_22 109.5 . .
O1_22 C11_22 H11B_22 109.5 . .
H11A_22 C11_22 H11B_22 109.5 . .
O1_22 C11_22 H11C_22 109.5 . .
H11A_22 C11_22 H11C_22 109.5 . .
H11B_22 C11_22 H11C_22 109.5 . .
O2_22 C12_22 O10 147.5(10) . 2_665
O2_22 C12_22 H12A_22 109.5 . .
O10 C12_22 H12A_22 77.0 2_665 .
O2_22 C12_22 H12B_22 109.5 . .
O10 C12_22 H12B_22 41.8 2_665 .
H12A_22 C12_22 H12B_22 109.5 . .
O2_22 C12_22 H12C_22 109.5 . .
O10 C12_22 H12C_22 97.3 2_665 .
H12A_22 C12_22 H12C_22 109.5 . .
H12B_22 C12_22 H12C_22 109.5 . .
C1_23 N1_23 C5_23 118.1 . .
C1_23 N1_23 Cu23 127.3(2) . .
C5_23 N1_23 Cu23 114.2(2) . .
C10_23 N2_23 C6_23 117.4 . .
C10_23 N2_23 Cu23 126.3(2) . .
C6_23 N2_23 Cu23 115.4(2) . .
C3_23 O1_23 C11_23 118.8(2) . .
C8_23 O2_23 C12_23 118.7(2) . .
N1_23 C1_23 C2_23 123.5 . .
N1_23 C1_23 H1_23 118.3 . .
C2_23 C1_23 H1_23 118.3 . .
C1_23 C2_23 C3_23 118.1 . .
C1_23 C2_23 H2_23 120.9 . .
C3_23 C2_23 H2_23 121.0 . .
O1_23 C3_23 C2_23 114.8 . .
O1_23 C3_23 C4_23 125.3 . .
C2_23 C3_23 C4_23 119.9 . .
C3_23 C4_23 C5_23 117.9 . .
C3_23 C4_23 H4_23 121.0 . .
C5_23 C4_23 H4_23 121.1 . .
N1_23 C5_23 C4_23 122.5 . .
N1_23 C5_23 C6_23 114.2 . .
C4_23 C5_23 C6_23 123.3 . .
N2_23 C6_23 C7_23 123.0 . .
N2_23 C6_23 C5_23 113.7 . .
C7_23 C6_23 C5_23 123.3 . .
C6_23 C7_23 C8_23 118.0 . .
C6_23 C7_23 H7_23 120.9 . .
C8_23 C7_23 H7_23 121.0 . .
O2_23 C8_23 C9_23 115.4 . .
O2_23 C8_23 C7_23 125.4 . .
C9_23 C8_23 C7_23 119.2 . .
C10_23 C9_23 C8_23 118.6 . .
C10_23 C9_23 H9_23 120.7 . .
C8_23 C9_23 H9_23 120.8 . .
N2_23 C10_23 C9_23 123.8 . .
N2_23 C10_23 H10_23 118.1 . .
C9_23 C10_23 H10_23 118.1 . .
O1_23 C11_23 H11A_23 109.5 . .
O1_23 C11_23 H11B_23 109.5 . .
H11A_23 C11_23 H11B_23 109.5 . .
O1_23 C11_23 H11C_23 109.5 . .
H11A_23 C11_23 H11C_23 109.5 . .
H11B_23 C11_23 H11C_23 109.5 . .
O2_23 C12_23 H12A_23 109.5 . .
O2_23 C12_23 H12B_23 109.5 . .
H12A_23 C12_23 H12B_23 109.5 . .
O2_23 C12_23 H12C_23 109.5 . .
H12A_23 C12_23 H12C_23 109.5 . .
H12B_23 C12_23 H12C_23 109.5 . .
C1_24 N1_24 C5_24 118.1 . .
C1_24 N1_24 Cu24 127.92(19) . .
C5_24 N1_24 Cu24 114.00(19) . .
C10_24 N2_24 C6_24 117.4 . .
C10_24 N2_24 Cu24 127.48(18) . .
C6_24 N2_24 Cu24 115.03(18) . .
C3_24 O1_24 C11_24 118.9(2) . .
C8_24 O2_24 C12_24 118.8(2) . .
N1_24 C1_24 C2_24 123.5 . .
N1_24 C1_24 H1_24 118.3 . .
C2_24 C1_24 H1_24 118.3 . .
C1_24 C2_24 C3_24 118.1 . .
C1_24 C2_24 H2_24 120.9 . .
C3_24 C2_24 H2_24 121.0 . .
O1_24 C3_24 C2_24 114.8 . .
O1_24 C3_24 C4_24 125.3 . .
C2_24 C3_24 C4_24 119.9 . .
C3_24 C4_24 C5_24 117.9 . .
C3_24 C4_24 H4_24 121.0 . .
C5_24 C4_24 H4_24 121.1 . .
N1_24 C5_24 C4_24 122.5 . .
N1_24 C5_24 C6_24 114.2 . .
C4_24 C5_24 C6_24 123.3 . .
N2_24 C6_24 C7_24 123.0 . .
N2_24 C6_24 C5_24 113.7 . .
C7_24 C6_24 C5_24 123.3 . .
C6_24 C7_24 C8_24 118.0 . .
C6_24 C7_24 H7_24 120.9 . .
C8_24 C7_24 H7_24 121.0 . .
O2_24 C8_24 C9_24 115.4 . .
O2_24 C8_24 C7_24 125.4 . .
C9_24 C8_24 C7_24 119.2 . .
C10_24 C9_24 C8_24 118.6 . .
C10_24 C9_24 H9_24 120.7 . .
C8_24 C9_24 H9_24 120.8 . .
N2_24 C10_24 C9_24 123.8 . .
N2_24 C10_24 H10_24 118.1 . .
C9_24 C10_24 H10_24 118.1 . .
O1_24 C11_24 C2_9 139.1(18) . 1_655
O1_24 C11_24 H11A_24 109.5 . .
C2_9 C11_24 H11A_24 74.3 1_655 .
O1_24 C11_24 H11B_24 109.5 . .
C2_9 C11_24 H11B_24 39.1 1_655 .
H11A_24 C11_24 H11B_24 109.5 . .
O1_24 C11_24 H11C_24 109.5 . .
C2_9 C11_24 H11C_24 107.0 1_655 .
H11A_24 C11_24 H11C_24 109.5 . .
H11B_24 C11_24 H11C_24 109.5 . .
O2_24 C12_24 H12A_24 109.5 . .
O2_24 C12_24 H12B_24 109.5 . .
H12A_24 C12_24 H12B_24 109.5 . .
O2_24 C12_24 H12C_24 109.5 . .
H12A_24 C12_24 H12C_24 109.5 . .
H12B_24 C12_24 H12C_24 109.5 . .
O4_25 Cl1_25 O1_25 109.5 . .
O4_25 Cl1_25 O2_25 109.5 . .
O1_25 Cl1_25 O2_25 109.5 . .
O4_25 Cl1_25 O3_25 109.5 . .
O1_25 Cl1_25 O3_25 109.5 . .
O2_25 Cl1_25 O3_25 109.5 . .
O3_26 Cl1_26 O2_26 109.5 . .
O3_26 Cl1_26 O1_26 109.5 . .
O2_26 Cl1_26 O1_26 109.5 . .
O3_26 Cl1_26 O4_26 109.5 . .
O2_26 Cl1_26 O4_26 109.5 . .
O1_26 Cl1_26 O4_26 109.5 . .
Cl1_26 O3_26 Cu22 138.1(8) . .
O4_27 Cl1_27 O3_27 109.5 . .
O4_27 Cl1_27 O2_27 109.5 . .
O3_27 Cl1_27 O2_27 109.5 . .
O4_27 Cl1_27 O1_27 109.5 . .
O3_27 Cl1_27 O1_27 109.5 . .
O2_27 Cl1_27 O1_27 109.5 . .
O2_28 Cl1_28 O4_28 109.5 . .
O2_28 Cl1_28 O1_28 109.5 . .
O4_28 Cl1_28 O1_28 109.5 . .
O2_28 Cl1_28 O3_28 109.5 . .
O4_28 Cl1_28 O3_28 109.5 . .
O1_28 Cl1_28 O3_28 109.5 . .
O3_29 Cl1_29 O4_29 109.5 . .
O3_29 Cl1_29 O1_29 109.5 . .
O4_29 Cl1_29 O1_29 109.5 . .
O3_29 Cl1_29 O2_29 109.5 . .
O4_29 Cl1_29 O2_29 109.5 . .
O1_29 Cl1_29 O2_29 109.5 . .
O4_30 Cl1_30 O1_30 109.5 . .
O4_30 Cl1_30 O2_30 109.5 . .
O1_30 Cl1_30 O2_30 109.5 . .
O4_30 Cl1_30 O3_30 109.5 . .
O1_30 Cl1_30 O3_30 109.5 . .
O2_30 Cl1_30 O3_30 109.5 . .
C1_31 O1_31 Cu1 127.0(12) . .
C1_31 O2_31 Cu2 129.8(13) . .
C2_31 O3_31 Cu3 130.2(13) . .
C2_31 O4_31 Cu4 127.5(12) . .
C3_31 O5_31 Cu5 129.8(13) . .
C3_31 O6_31 Cu6 127.7(13) . .
O2_31 C1_31 O1_31 123.6(17) . .
O2_31 C1_31 C4_31 116.7(18) . .
O1_31 C1_31 C4_31 118.6(17) . .
O3_31 C2_31 O4_31 124.5(18) . .
O3_31 C2_31 C6_31 120.2(17) . .
O4_31 C2_31 C6_31 114.9(16) . .
O5_31 C3_31 O6_31 126.8(18) . .
O5_31 C3_31 C8_31 117.3(18) . .
O6_31 C3_31 C8_31 115.7(17) . .
C5_31 C4_31 C9_31 120.5(17) . .
C5_31 C4_31 C1_31 121.1(17) . .
C9_31 C4_31 C1_31 118.0(18) . .
C6_31 C5_31 C4_31 120.1(17) . .
C6_31 C5_31 H5_31 120.0 . .
C4_31 C5_31 H5_31 120.0 . .
C5_31 C6_31 C7_31 119.6(18) . .
C5_31 C6_31 C2_31 117.3(16) . .
C7_31 C6_31 C2_31 122.8(17) . .
C8_31 C7_31 C6_31 121.1(18) . .
C8_31 C7_31 H7_31 119.4 . .
C6_31 C7_31 H7_31 119.4 . .
C7_31 C8_31 C9_31 119.1(17) . .
C7_31 C8_31 C3_31 119.3(17) . .
C9_31 C8_31 C3_31 121.5(18) . .
C8_31 C9_31 C4_31 119.5(18) . .
C8_31 C9_31 H9_31 120.3 . .
C4_31 C9_31 H9_31 120.3 . .
C1_32 O1_32 Cu1 130.8(13) . .
C1_32 O2_32 Cu2 131.0(13) . .
C2_32 O3_32 Cu9 115.8(13) . .
C2_32 O4_32 Cu10 138.1(14) . .
C3_32 O5_32 Cu8 131.7(15) . .
C3_32 O6_32 Cu7 122.1(13) . .
O2_32 C1_32 O1_32 121.4(18) . .
O2_32 C1_32 C4_32 118.7(18) . .
O1_32 C1_32 C4_32 119.9(17) . .
O4_32 C2_32 O3_32 128.8(19) . .
O4_32 C2_32 C6_32 118.8(18) . .
O3_32 C2_32 C6_32 112.2(18) . .
O5_32 C3_32 O6_32 128.9(19) . .
O5_32 C3_32 C8_32 119(2) . .
O6_32 C3_32 C8_32 111.1(19) . .
C9_32 C4_32 C5_32 123.9(18) . .
C9_32 C4_32 C1_32 118.0(18) . .
C5_32 C4_32 C1_32 117.9(17) . .
C6_32 C5_32 C4_32 115.5(17) . .
C6_32 C5_32 H5_32 122.3 . .
C4_32 C5_32 H5_32 122.3 . .
C5_32 C6_32 C7_32 123.8(18) . .
C5_32 C6_32 C2_32 121.1(17) . .
C7_32 C6_32 C2_32 114.9(18) . .
C8_32 C7_32 C6_32 118.9(19) . .
C8_32 C7_32 H7_32 120.5 . .
C6_32 C7_32 H7_32 120.5 . .
C7_32 C8_32 C9_32 120.4(17) . .
C7_32 C8_32 C3_32 118.4(19) . .
C9_32 C8_32 C3_32 121.2(18) . .
C4_32 C9_32 C8_32 116.5(18) . .
C4_32 C9_32 H9_32 121.7 . .
C8_32 C9_32 H9_32 121.7 . .
C1_33 O1_33 Cu3 134.0(12) . .
C1_33 O2_33 Cu4 121.6(11) . .
C2_33 O3_33 Cu11 130.1(12) . .
C2_33 O4_33 Cu12 125.1(12) . .
C3_33 O5_33 Cu10 128.2(12) . .
C3_33 O6_33 Cu9 130.1(12) . .
O1_33 C1_33 O2_33 125.9(17) . .
O1_33 C1_33 C4_33 118.2(17) . .
O2_33 C1_33 C4_33 115.0(16) . .
O3_33 C2_33 O4_33 121.3(17) . .
O3_33 C2_33 C6_33 116.0(17) . .
O4_33 C2_33 C6_33 120.9(18) . .
O6_33 C3_33 O5_33 124.9(17) . .
O6_33 C3_33 C8_33 118.2(16) . .
O5_33 C3_33 C8_33 115.4(17) . .
C9_33 C4_33 C1_33 120.6(16) . .
C9_33 C4_33 C5_33 117.7(16) . .
C1_33 C4_33 C5_33 121.2(16) . .
C6_33 C5_33 C4_33 119.8(17) . .
C6_33 C5_33 H5_33 120.1 . .
C4_33 C5_33 H5_33 120.1 . .
C5_33 C6_33 C7_33 123.7(17) . .
C5_33 C6_33 C2_33 122.3(18) . .
C7_33 C6_33 C2_33 113.9(16) . .
C6_33 C7_33 C8_33 119.2(16) . .
C6_33 C7_33 H7_33 120.4 . .
C8_33 C7_33 H7_33 120.4 . .
C9_33 C8_33 C3_33 122.2(16) . .
C9_33 C8_33 C7_33 115.5(16) . .
C3_33 C8_33 C7_33 121.9(16) . .
C4_33 C9_33 C8_33 123.9(16) . .
C4_33 C9_33 H9_33 118.0 . .
C8_33 C9_33 H9_33 118.0 . .
C1_34 O1_34 Cu5 126.1(14) . .
C1_34 O2_34 Cu6 134.3(13) . .
C2_34 O3_34 Cu7 126.8(13) . .
C2_34 O4_34 Cu8 130.6(13) . .
C3_34 O5_34 Cu12 133.2(15) . .
C3_34 O6_34 Cu11 129.2(14) . .
O2_34 C1_34 O1_34 124.9(19) . .
O2_34 C1_34 C4_34 117.0(18) . .
O1_34 C1_34 C4_34 118(2) . .
O4_34 C2_34 O3_34 121.5(18) . .
O4_34 C2_34 C6_34 121(2) . .
O3_34 C2_34 C6_34 117.2(19) . .
O6_34 C3_34 O5_34 121(2) . .
O6_34 C3_34 C8_34 115.9(19) . .
O5_34 C3_34 C8_34 123(2) . .
C5_34 C4_34 C9_34 120.9(19) . .
C5_34 C4_34 C1_34 121(2) . .
C9_34 C4_34 C1_34 117.0(18) . .
C4_34 C5_34 C6_34 121(2) . .
C4_34 C5_34 H5_34 119.4 . .
C6_34 C5_34 H5_34 119.4 . .
C7_34 C6_34 C5_34 119.7(18) . .
C7_34 C6_34 C2_34 119.0(19) . .
C5_34 C6_34 C2_34 121.2(19) . .
C6_34 C7_34 C8_34 117.1(18) . .
C6_34 C7_34 H7_34 121.4 . .
C8_34 C7_34 H7_34 121.4 . .
C9_34 C8_34 C7_34 121(2) . .
C9_34 C8_34 C3_34 124(2) . .
C7_34 C8_34 C3_34 114.7(18) . .
C8_34 C9_34 C4_34 119.7(19) . .
C8_34 C9_34 H9_34 120.2 . .
C4_34 C9_34 H9_34 120.2 . .
C1_35 O1_35 Cu13 125.0(10) . .
C1_35 O2_35 Cu14 131.7(11) . .
C2_35 O3_35 Cu21 126.2(10) . .
C2_35 O4_35 Cu22 130.0(10) . .
C3_35 O5_35 Cu20 127.2(11) . .
C3_35 O6_35 Cu19 133.2(11) . .
O2_35 C1_35 O1_35 123.5(14) . .
O2_35 C1_35 C4_35 118.3(15) . .
O1_35 C1_35 C4_35 118.1(14) . .
O3_35 C2_35 O4_35 127.6(15) . .
O3_35 C2_35 C6_35 116.7(13) . .
O4_35 C2_35 C6_35 115.7(13) . .
O6_35 C3_35 O5_35 122.8(15) . .
O6_35 C3_35 C8_35 119.9(15) . .
O5_35 C3_35 C8_35 116.8(15) . .
C5_35 C4_35 C9_35 121.6(14) . .
C5_35 C4_35 C1_35 116.3(14) . .
C9_35 C4_35 C1_35 122.1(14) . .
C4_35 C5_35 C6_35 116.5(14) . .
C4_35 C5_35 H5_35 121.7 . .
C6_35 C5_35 H5_35 121.7 . .
C7_35 C6_35 C5_35 124.1(15) . .
C7_35 C6_35 C2_35 119.0(14) . .
C5_35 C6_35 C2_35 116.8(13) . .
C6_35 C7_35 C8_35 114.4(14) . .
C6_35 C7_35 H7_35 122.8 . .
C8_35 C7_35 H7_35 122.8 . .
C9_35 C8_35 C7_35 126.1(15) . .
C9_35 C8_35 C3_35 116.7(15) . .
C7_35 C8_35 C3_35 116.7(14) . .
C8_35 C9_35 C4_35 117.1(15) . .
C8_35 C9_35 H9_35 121.4 . .
C4_35 C9_35 H9_35 121.4 . .
C1_36 O1_36 Cu13 123.3(11) . .
C1_36 O2_36 Cu14 127.6(11) . .
C2_36 O3_36 Cu15 133.5(10) . .
C2_36 O4_36 Cu16 122.2(10) . .
C3_36 O5_36 Cu17 134.9(13) . .
C3_36 O6_36 Cu18 127.9(13) . .
O2_36 C1_36 O1_36 126.9(16) . .
O2_36 C1_36 C4_36 122.0(15) . .
O1_36 C1_36 C4_36 111.0(15) . .
O4_36 C2_36 O3_36 127.3(14) . .
O4_36 C2_36 C6_36 116.5(14) . .
O3_36 C2_36 C6_36 115.3(14) . .
O5_36 C3_36 O6_36 120.3(18) . .
O5_36 C3_36 C8_36 119.6(18) . .
O6_36 C3_36 C8_36 120.1(18) . .
C9_36 C4_36 C5_36 121.3(16) . .
C9_36 C4_36 C1_36 121.9(15) . .
C5_36 C4_36 C1_36 116.2(15) . .
C6_36 C5_36 C4_36 121.0(16) . .
C6_36 C5_36 H5_36 119.5 . .
C4_36 C5_36 H5_36 119.5 . .
C5_36 C6_36 C7_36 120.1(14) . .
C5_36 C6_36 C2_36 123.1(15) . .
C7_36 C6_36 C2_36 116.4(14) . .
C8_36 C7_36 C6_36 118.9(15) . .
C8_36 C7_36 H7_36 120.5 . .
C6_36 C7_36 H7_36 120.5 . .
C7_36 C8_36 C3_36 119.0(17) . .
C7_36 C8_36 C9_36 118.8(16) . .
C3_36 C8_36 C9_36 121.3(16) . .
C4_36 C9_36 C8_36 119.6(15) . .
C4_36 C9_36 H9_36 120.2 . .
C8_36 C9_36 H9_36 120.2 . .
C1_37 O1_37 Cu15 131.8(10) . .
C1_37 O2_37 Cu16 126.3(10) . .
C2_37 O3_37 Cu23 133.3(10) . .
C2_37 O4_37 Cu24 124.5(10) . .
C3_37 O5_37 Cu22 131.4(10) . .
C3_37 O6_37 Cu21 121.9(10) . .
O1_37 C1_37 O2_37 125.7(14) . .
O1_37 C1_37 C4_37 117.7(14) . .
O2_37 C1_37 C4_37 116.2(13) . .
O3_37 C2_37 O4_37 123.5(13) . .
O3_37 C2_37 C6_37 120.9(14) . .
O4_37 C2_37 C6_37 115.2(14) . .
O6_37 C3_37 O5_37 127.0(15) . .
O6_37 C3_37 C8_37 117.4(14) . .
O5_37 C3_37 C8_37 115.1(14) . .
C9_37 C4_37 C5_37 116.6(14) . .
C9_37 C4_37 C1_37 121.6(13) . .
C5_37 C4_37 C1_37 121.8(14) . .
C4_37 C5_37 C6_37 122.6(14) . .
C4_37 C5_37 H5_37 118.7 . .
C6_37 C5_37 H5_37 118.7 . .
C7_37 C6_37 C5_37 116.9(13) . .
C7_37 C6_37 C2_37 124.7(14) . .
C5_37 C6_37 C2_37 117.7(14) . .
C8_37 C7_37 C6_37 120.6(14) . .
C8_37 C7_37 H7_37 119.7 . .
C6_37 C7_37 H7_37 119.7 . .
C9_37 C8_37 C7_37 121.7(15) . .
C9_37 C8_37 C3_37 120.5(14) . .
C7_37 C8_37 C3_37 116.6(13) . .
C8_37 C9_37 C4_37 121.4(14) . .
C8_37 C9_37 H9_37 119.3 . .
C4_37 C9_37 H9_37 119.3 . .
C1_38 O1_38 Cu17 127.9(13) . .
C1_38 O2_38 Cu18 131.9(13) . .
C2_38 O3_38 Cu19 129.1(12) . .
C2_38 O4_38 Cu20 130.4(11) . .
C3_38 O5_38 Cu24 128.8(9) . .
C3_38 O6_38 Cu23 131.7(11) . .
O2_38 C1_38 O1_38 124.6(18) . .
O2_38 C1_38 C4_38 119.2(16) . .
O1_38 C1_38 C4_38 116.0(16) . .
O3_38 C2_38 O4_38 121.6(14) . .
O3_38 C2_38 C6_38 118.7(15) . .
O4_38 C2_38 C6_38 119.3(14) . .
O6_38 C3_38 O5_38 122.8(13) . .
O6_38 C3_38 C8_38 119.4(15) . .
O5_38 C3_38 C8_38 117.4(13) . .
C5_38 C4_38 C9_38 121.8(16) . .
C5_38 C4_38 C1_38 119.8(15) . .
C9_38 C4_38 C1_38 118.0(15) . .
C6_38 C5_38 C4_38 119.7(15) . .
C6_38 C5_38 H5_38 120.1 . .
C4_38 C5_38 H5_38 120.1 . .
C5_38 C6_38 C7_38 121.2(15) . .
C5_38 C6_38 C2_38 120.2(14) . .
C7_38 C6_38 C2_38 118.0(15) . .
C6_38 C7_38 C8_38 118.6(15) . .
C6_38 C7_38 H7_38 120.7 . .
C8_38 C7_38 H7_38 120.7 . .
C9_38 C8_38 C7_38 123.3(14) . .
C9_38 C8_38 C3_38 117.0(14) . .
C7_38 C8_38 C3_38 119.4(15) . .
C8_38 C9_38 C4_38 115.3(14) . .
C8_38 C9_38 H9_38 122.3 . .
C4_38 C9_38 H9_38 122.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1_32 1.913(14) .
Cu1 O1_31 1.925(13) .
Cu1 N2_1 1.970(9) .
Cu1 N1_1 1.980(9) .
Cu1 O1 2.191(11) .
Cu2 O2_31 1.943(12) .
Cu2 N1_2 1.969(9) .
Cu2 O2_32 1.974(13) .
Cu2 N2_2 1.973(8) .
Cu2 O2 2.218(11) .
Cu3 O1_33 1.941(12) .
Cu3 O3_31 1.959(13) .
Cu3 N2_3 1.964(7) .
Cu3 N1_3 1.980(7) .
Cu3 O3 2.236(12) .
Cu4 O4_31 1.919(13) .
Cu4 O2_33 1.989(13) .
Cu4 N2_4 1.985(8) .
Cu4 N1_4 2.002(8) .
Cu4 O4 2.201(10) .
Cu5 O5_31 1.929(13) .
Cu5 O1_34 1.945(14) .
Cu5 N1_5 1.970(8) .
Cu5 N2_5 1.991(7) .
Cu6 O2_34 1.934(13) .
Cu6 N1_6 1.947(9) .
Cu6 O6_31 1.948(12) .
Cu6 N2_6 1.999(8) .
Cu6 O6 2.221(11) .
Cu7 O3_34 1.967(14) .
Cu7 O6_32 1.981(12) .
Cu7 N2_7 1.978(7) .
Cu7 N1_7 1.986(7) .
Cu7 O7 2.203(12) .
Cu7 Cu8 3.050(4) .
Cu8 O5_32 1.918(12) .
Cu8 O4_34 1.939(13) .
Cu8 N1_8 1.967(7) .
Cu8 N2_8 1.990(6) .
Cu8 O8 2.214(11) .
Cu9 N1_9 1.949(8) .
Cu9 O6_33 1.950(13) .
Cu9 N2_9 1.964(9) .
Cu9 O3_32 2.006(13) .
Cu9 O9 2.236(16) .
Cu10 N2_10 1.930(9) .
Cu10 O4_32 1.939(14) .
Cu10 O5_33 1.988(13) .
Cu10 N1_10 2.052(10) .
Cu10 O10 2.214(10) .
O10 C12_22 1.87(2) 2_665
Cu11 O6_34 1.913(15) .
Cu11 O3_33 1.954(13) .
Cu11 N1_11 1.993(9) .
Cu11 N2_11 2.060(10) .
Cu11 O11 2.332(16) .
Cu12 O5_34 1.921(15) .
Cu12 N2_12 1.964(9) .
Cu12 O4_33 1.969(12) .
Cu12 N1_12 1.969(7) .
Cu12 O12 2.219(11) .
Cu13 O1_35 1.939(11) .
Cu13 O1_36 1.978(11) .
Cu13 N2_13 2.013(8) .
Cu13 N1_13 2.039(7) .
Cu13 O13 2.228(9) .
Cu13 Cu14 3.023(3) .
Cu14 O2_35 1.920(10) .
Cu14 O2_36 1.932(12) .
Cu14 N2_14 1.961(7) .
Cu14 N1_14 1.984(8) .
Cu14 O14 2.219(11) .
Cu15 O3_36 1.949(11) .
Cu15 O1_37 1.956(10) .
Cu15 N2_15 1.969(6) .
Cu15 N1_15 2.011(7) .
Cu15 O15 2.239(9) .
Cu16 O2_37 1.952(10) .
Cu16 N2_16 1.965(6) .
Cu16 O4_36 1.978(10) .
Cu16 N1_16 1.992(6) .
Cu16 O16 2.199(9) .
Cu17 N1_17 1.926(9) .
Cu17 N2_17 1.938(10) .
Cu17 O5_36 1.956(13) .
Cu17 O1_38 1.972(13) .
Cu17 O17 2.216(11) .
Cu18 O2_38 1.908(13) .
Cu18 N2_18 1.926(10) .
Cu18 O6_36 1.978(13) .
Cu18 N1_18 2.022(9) .
Cu18 O18 2.212(11) .
Cu19 O3_38 1.920(11) .
Cu19 O6_35 1.939(12) .
Cu19 N1_19 2.000(6) .
Cu19 N2_19 2.002(6) .
Cu19 O19 2.209(9) .
Cu19 Cu20 3.050(3) .
Cu20 O4_38 1.931(12) .
Cu20 O5_35 1.951(11) .
Cu20 N1_20 1.974(7) .
Cu20 N2_20 2.023(7) .
Cu20 O20 2.233(11) .
Cu21 O6_37 1.931(11) .
Cu21 N1_21 1.945(7) .
Cu21 O3_35 1.952(11) .
Cu21 N2_21 1.972(6) .
Cu21 O21 2.204(10) .
Cu22 O5_37 1.930(11) .
Cu22 O4_35 1.951(11) .
Cu22 N2_22 1.957(7) .
Cu22 N1_22 1.974(8) .
Cu22 O3_26 2.291(11) .
Cu23 O3_37 1.942(11) .
Cu23 O6_38 1.945(10) .
Cu23 N2_23 1.980(7) .
Cu23 N1_23 2.008(7) .
Cu23 O23 2.210(9) .
Cu24 N2_24 1.947(6) .
Cu24 O5_38 1.958(10) .
Cu24 N1_24 1.971(6) .
Cu24 O4_37 1.973(9) .
Cu24 O24 2.216(10) .
N1_1 C1_1 1.3418 .
N1_1 C5_1 1.3480 .
N2_1 C10_1 1.3459 .
N2_1 C6_1 1.3495 .
O1_1 C3_1 1.3508 .
O1_1 C11_1 1.423(2) .
O2_1 C8_1 1.3488 .
O2_1 C12_1 1.423(2) .
C1_1 C2_1 1.3771 .
C1_1 H1_1 0.9301 .
C2_1 C3_1 1.3859 .
C2_1 H2_1 0.9298 .
C3_1 C4_1 1.3927 .
C4_1 C5_1 1.3952 .
C4_1 H4_1 0.9301 .
C5_1 C6_1 1.5006 .
C6_1 C7_1 1.3884 .
C7_1 C8_1 1.4023 .
C7_1 H7_1 0.9302 .
C8_1 C9_1 1.3846 .
C9_1 C10_1 1.3727 .
C9_1 H9_1 0.9295 .
C10_1 H10_1 0.9300 .
C11_1 H11A_1 0.9800 .
C11_1 H11B_1 0.9800 .
C11_1 H11C_1 0.9800 .
C12_1 H12A_1 0.9800 .
C12_1 H12B_1 0.9800 .
C12_1 H12C_1 0.9800 .
N1_2 C1_2 1.3417 .
N1_2 C5_2 1.3480 .
N2_2 C10_2 1.3460 .
N2_2 C6_2 1.3495 .
O1_2 C3_2 1.3508 .
O1_2 C11_2 1.422(2) .
O2_2 C8_2 1.3488 .
O2_2 C12_2 1.422(2) .
C1_2 C2_2 1.3770 .
C1_2 H1_2 0.9301 .
C2_2 C3_2 1.3860 .
C2_2 H2_2 0.9298 .
C3_2 C4_2 1.3927 .
C4_2 C5_2 1.3951 .
C4_2 H4_2 0.9301 .
C5_2 C6_2 1.5006 .
C6_2 C7_2 1.3885 .
C7_2 C8_2 1.4023 .
C7_2 H7_2 0.9303 .
C8_2 C9_2 1.3846 .
C9_2 C10_2 1.3726 .
C9_2 H9_2 0.9295 .
C10_2 H10_2 0.9300 .
C11_2 H11A_2 0.9800 .
C11_2 H11B_2 0.9800 .
C11_2 H11C_2 0.9800 .
C12_2 C5_11 1.86(9) 1_455
C12_2 C4_11 2.01(10) 1_455
C12_2 H12A_2 0.9800 .
C12_2 H12B_2 0.9800 .
C12_2 H12C_2 0.9800 .
N1_3 C1_3 1.3417 .
N1_3 C5_3 1.3480 .
N2_3 C10_3 1.3460 .
N2_3 C6_3 1.3496 .
O1_3 C3_3 1.3508 .
O1_3 C11_3 1.423(2) .
O2_3 C8_3 1.3488 .
O2_3 C12_3 1.421(2) .
C1_3 C2_3 1.3771 .
C1_3 H1_3 0.9301 .
C2_3 C3_3 1.3860 .
C2_3 H2_3 0.9298 .
C3_3 C4_3 1.3927 .
C4_3 C5_3 1.3952 .
C4_3 H4_3 0.9300 .
C5_3 C6_3 1.5005 .
C6_3 C7_3 1.3884 .
C7_3 C8_3 1.4023 .
C7_3 H7_3 0.9302 .
C8_3 C9_3 1.3846 .
C9_3 C10_3 1.3726 .
C9_3 H9_3 0.9295 .
C10_3 H10_3 0.9300 .
C11_3 H11A_3 0.9800 .
C11_3 H11B_3 0.9800 .
C11_3 H11C_3 0.9800 .
C12_3 H12A_3 0.9800 .
C12_3 H12B_3 0.9800 .
C12_3 H12C_3 0.9800 .
N1_4 C1_4 1.3417 .
N1_4 C5_4 1.3480 .
N2_4 C10_4 1.3459 .
N2_4 C6_4 1.3496 .
O1_4 C3_4 1.3509 .
O1_4 C11_4 1.421(2) .
O2_4 C8_4 1.3488 .
O2_4 C12_4 1.422(2) .
C1_4 C2_4 1.3770 .
C1_4 H1_4 0.9302 .
C2_4 C3_4 1.3859 .
C2_4 H2_4 0.9298 .
C3_4 C4_4 1.3927 .
C4_4 C5_4 1.3952 .
C4_4 H4_4 0.9301 .
C5_4 C6_4 1.5005 .
C6_4 C7_4 1.3885 .
C7_4 C8_4 1.4023 .
C7_4 H7_4 0.9302 .
C8_4 C9_4 1.3846 .
C9_4 C10_4 1.3727 .
C9_4 H9_4 0.9295 .
C10_4 H10_4 0.9301 .
C11_4 H11A_4 0.9800 .
C11_4 H11B_4 0.9800 .
C11_4 H11C_4 0.9800 .
C12_4 H12A_4 0.9800 .
C12_4 H12B_4 0.9800 .
C12_4 H12C_4 0.9800 .
N1_5 C1_5 1.3417 .
N1_5 C5_5 1.3480 .
N2_5 C10_5 1.3459 .
N2_5 C6_5 1.3495 .
O1_5 C3_5 1.3508 .
O1_5 C11_5 1.422(2) .
O2_5 C8_5 1.3488 .
O2_5 C12_5 1.421(2) .
C1_5 C2_5 1.3771 .
C1_5 H1_5 0.9301 .
C2_5 C3_5 1.3859 .
C2_5 H2_5 0.9298 .
C3_5 C4_5 1.3927 .
C4_5 C5_5 1.3952 .
C4_5 H4_5 0.9301 .
C5_5 C6_5 1.5006 .
C6_5 C7_5 1.3884 .
C7_5 C8_5 1.4023 .
C7_5 H7_5 0.9302 .
C8_5 C9_5 1.3846 .
C9_5 C10_5 1.3727 .
C9_5 H9_5 0.9295 .
C10_5 H10_5 0.9300 .
C11_5 H11A_5 0.9800 .
C11_5 H11B_5 0.9800 .
C11_5 H11C_5 0.9800 .
C12_5 H12A_5 0.9800 .
C12_5 H12B_5 0.9800 .
C12_5 H12C_5 0.9800 .
N1_6 C1_6 1.3417 .
N1_6 C5_6 1.3479 .
N2_6 C10_6 1.3459 .
N2_6 C6_6 1.3495 .
O1_6 C3_6 1.3508 .
O1_6 C11_6 1.423(2) .
O2_6 C8_6 1.3488 .
O2_6 C12_6 1.421(2) .
C1_6 C2_6 1.3771 .
C1_6 H1_6 0.9301 .
C2_6 C3_6 1.3860 .
C2_6 H2_6 0.9298 .
C3_6 C4_6 1.3927 .
C4_6 C5_6 1.3952 .
C4_6 H4_6 0.9301 .
C5_6 C6_6 1.5005 .
C6_6 C7_6 1.3885 .
C7_6 C8_6 1.4023 .
C7_6 H7_6 0.9303 .
C8_6 C9_6 1.3846 .
C9_6 C10_6 1.3727 .
C9_6 H9_6 0.9295 .
C10_6 H10_6 0.9300 .
C11_6 H11A_6 0.9800 .
C11_6 H11B_6 0.9800 .
C11_6 H11C_6 0.9800 .
C12_6 H12A_6 0.9800 .
C12_6 H12B_6 0.9800 .
C12_6 H12C_6 0.9800 .
N1_7 C1_7 1.3417 .
N1_7 C5_7 1.3480 .
N2_7 C10_7 1.3460 .
N2_7 C6_7 1.3494 .
O1_7 C3_7 1.3509 .
O1_7 C11_7 1.421(2) .
O2_7 C8_7 1.3488 .
O2_7 C12_7 1.423(2) .
C1_7 C2_7 1.3771 .
C1_7 H1_7 0.9301 .
C2_7 C3_7 1.3859 .
C2_7 H2_7 0.9298 .
C3_7 C4_7 1.3927 .
C4_7 C5_7 1.3952 .
C4_7 H4_7 0.9301 .
C5_7 C6_7 1.5005 .
C6_7 C7_7 1.3885 .
C7_7 C8_7 1.4023 .
C7_7 H7_7 0.9303 .
C8_7 C9_7 1.3846 .
C9_7 C10_7 1.3727 .
C9_7 H9_7 0.9295 .
C10_7 H10_7 0.9300 .
C11_7 H11A_7 0.9800 .
C11_7 H11B_7 0.9800 .
C11_7 H11C_7 0.9800 .
C12_7 H12A_7 0.9800 .
C12_7 H12B_7 0.9800 .
C12_7 H12C_7 0.9800 .
N1_8 C1_8 1.3417 .
N1_8 C5_8 1.3479 .
N2_8 C10_8 1.3459 .
N2_8 C6_8 1.3495 .
O1_8 C3_8 1.3509 .
O1_8 C11_8 1.421(2) .
O2_8 C8_8 1.3488 .
O2_8 C12_8 1.419(2) .
C1_8 C2_8 1.3770 .
C1_8 H1_8 0.9301 .
C2_8 C3_8 1.3859 .
C2_8 H2_8 0.9298 .
C3_8 C4_8 1.3927 .
C4_8 C5_8 1.3952 .
C4_8 H4_8 0.9301 .
C5_8 C6_8 1.5005 .
C6_8 C7_8 1.3885 .
C7_8 C8_8 1.4023 .
C7_8 H7_8 0.9302 .
C8_8 C9_8 1.3846 .
C9_8 C10_8 1.3726 .
C9_8 H9_8 0.9295 .
C10_8 H10_8 0.9300 .
C11_8 H11A_8 0.9800 .
C11_8 H11B_8 0.9800 .
C11_8 H11C_8 0.9800 .
C12_8 H12A_8 0.9800 .
C12_8 H12B_8 0.9800 .
C12_8 H12C_8 0.9800 .
N1_9 C1_9 1.3417 .
N1_9 C5_9 1.3480 .
N2_9 C10_9 1.3460 .
N2_9 C6_9 1.3495 .
O1_9 C3_9 1.3509 .
O1_9 C11_9 1.422(2) .
O2_9 C8_9 1.3488 .
O2_9 C12_9 1.422(2) .
C1_9 C2_9 1.3770 .
C1_9 H1_9 0.9301 .
C2_9 C3_9 1.3860 .
C2_9 C11_24 1.917(14) 1_455
C2_9 H2_9 0.9298 .
C3_9 C4_9 1.3927 .
C4_9 C5_9 1.3952 .
C4_9 H4_9 0.9300 .
C5_9 C6_9 1.5005 .
C6_9 C7_9 1.3884 .
C7_9 C8_9 1.4023 .
C7_9 H7_9 0.9302 .
C8_9 C9_9 1.3846 .
C9_9 C10_9 1.3727 .
C9_9 H9_9 0.9295 .
C10_9 H10_9 0.9300 .
C11_9 H11A_9 0.9800 .
C11_9 H11B_9 0.9800 .
C11_9 H11C_9 0.9800 .
C12_9 H12A_9 0.9800 .
C12_9 H12B_9 0.9800 .
C12_9 H12C_9 0.9800 .
N1_10 C1_10 1.3417 .
N1_10 C5_10 1.3480 .
N2_10 C10_10 1.3460 .
N2_10 C6_10 1.3495 .
O1_10 C3_10 1.3509 .
O1_10 C11_10 1.422(2) .
O2_10 C8_10 1.3488 .
O2_10 C12_10 1.422(2) .
C1_10 C2_10 1.3771 .
C1_10 H1_10 0.9301 .
C2_10 C3_10 1.3860 .
C2_10 H2_10 0.9297 .
C3_10 C4_10 1.3926 .
C4_10 C5_10 1.3952 .
C4_10 H4_10 0.9301 .
C5_10 C6_10 1.5005 .
C6_10 C7_10 1.3885 .
C7_10 C8_10 1.4023 .
C7_10 H7_10 0.9302 .
C8_10 C9_10 1.3846 .
C9_10 C10_10 1.3727 .
C9_10 H9_10 0.9295 .
C10_10 H10_10 0.9300 .
C11_10 H11A_10 0.9800 .
C11_10 H11B_10 0.9800 .
C11_10 H11C_10 0.9800 .
C12_10 H12A_10 0.9800 .
C12_10 H12B_10 0.9800 .
C12_10 H12C_10 0.9800 .
N1_11 C1_11 1.3417 .
N1_11 C5_11 1.3479 .
N2_11 C10_11 1.3460 .
N2_11 C6_11 1.3496 .
O1_11 C3_11 1.3509 .
O1_11 C11_11 1.423(2) .
O2_11 C8_11 1.3488 .
O2_11 C12_11 1.422(2) .
C1_11 C2_11 1.3770 .
C1_11 H1_11 0.9301 .
C2_11 C3_11 1.3859 .
C2_11 H2_11 0.9299 .
C3_11 C4_11 1.3927 .
C4_11 C5_11 1.3952 .
C4_11 H4_11 0.9301 .
C5_11 C6_11 1.5005 .
C6_11 C7_11 1.3884 .
C7_11 C8_11 1.4023 .
C7_11 H7_11 0.9302 .
C8_11 C9_11 1.3846 .
C9_11 C10_11 1.3727 .
C9_11 H9_11 0.9295 .
C10_11 H10_11 0.9300 .
C11_11 H11A_11 0.9800 .
C11_11 H11B_11 0.9800 .
C11_11 H11C_11 0.9800 .
C12_11 H12A_11 0.9800 .
C12_11 H12B_11 0.9800 .
C12_11 H12C_11 0.9800 .
N1_12 C1_12 1.3417 .
N1_12 C5_12 1.3479 .
N2_12 C10_12 1.3459 .
N2_12 C6_12 1.3495 .
O1_12 C3_12 1.3508 .
O1_12 C11_12 1.422(2) .
O2_12 C8_12 1.3488 .
O2_12 C12_12 1.422(2) .
C1_12 C2_12 1.3770 .
C1_12 H1_12 0.9301 .
C2_12 C3_12 1.3860 .
C2_12 H2_12 0.9298 .
C3_12 C4_12 1.3927 .
C4_12 C5_12 1.3952 .
C4_12 H4_12 0.9301 .
C5_12 C6_12 1.5005 .
C6_12 C7_12 1.3885 .
C7_12 C8_12 1.4024 .
C7_12 H7_12 0.9302 .
C8_12 C9_12 1.3846 .
C9_12 C10_12 1.3727 .
C9_12 H9_12 0.9295 .
C10_12 H10_12 0.9300 .
C11_12 H11A_12 0.9800 .
C11_12 H11B_12 0.9800 .
C11_12 H11C_12 0.9800 .
C12_12 H12A_12 0.9800 .
C12_12 H12B_12 0.9800 .
C12_12 H12C_12 0.9800 .
N1_13 C1_13 1.3417 .
N1_13 C5_13 1.3479 .
N2_13 C10_13 1.3460 .
N2_13 C6_13 1.3495 .
O1_13 C3_13 1.3509 .
O1_13 C11_13 1.422(2) .
O2_13 C8_13 1.3488 .
O2_13 C12_13 1.421(2) .
C1_13 C2_13 1.3771 .
C1_13 H1_13 0.9301 .
C2_13 C3_13 1.3859 .
C2_13 H2_13 0.9298 .
C3_13 C4_13 1.3927 .
C4_13 C5_13 1.3952 .
C4_13 H4_13 0.9301 .
C5_13 C6_13 1.5006 .
C6_13 C7_13 1.3884 .
C7_13 C8_13 1.4023 .
C7_13 H7_13 0.9302 .
C8_13 C9_13 1.3846 .
C9_13 C10_13 1.3727 .
C9_13 H9_13 0.9295 .
C10_13 H10_13 0.9300 .
C11_13 H11A_13 0.9800 .
C11_13 H11B_13 0.9800 .
C11_13 H11C_13 0.9800 .
C12_13 C12_16 1.938(11) 2_666
C12_13 H12A_13 0.9800 .
C12_13 H12B_13 0.9800 .
C12_13 H12C_13 0.9800 .
N1_14 C1_14 1.3417 .
N1_14 C5_14 1.3479 .
N2_14 C10_14 1.3459 .
N2_14 C6_14 1.3496 .
O1_14 C3_14 1.3509 .
O1_14 C11_14 1.422(2) .
O2_14 C8_14 1.3488 .
O2_14 C12_14 1.423(2) .
C1_14 C2_14 1.3770 .
C1_14 H1_14 0.9301 .
C2_14 C3_14 1.3860 .
C2_14 H2_14 0.9298 .
C3_14 C4_14 1.3927 .
C4_14 C5_14 1.3952 .
C4_14 H4_14 0.9300 .
C5_14 C6_14 1.5005 .
C6_14 C7_14 1.3885 .
C7_14 C8_14 1.4023 .
C7_14 H7_14 0.9303 .
C8_14 C9_14 1.3846 .
C9_14 C10_14 1.3727 .
C9_14 H9_14 0.9295 .
C10_14 H10_14 0.9300 .
C11_14 H11A_14 0.9800 .
C11_14 H11B_14 0.9800 .
C11_14 H11C_14 0.9800 .
C12_14 H12A_14 0.9800 .
C12_14 H12B_14 0.9800 .
C12_14 H12C_14 0.9800 .
N1_15 C1_15 1.3417 .
N1_15 C5_15 1.3480 .
N2_15 C10_15 1.3460 .
N2_15 C6_15 1.3495 .
O1_15 C3_15 1.3509 .
O1_15 C11_15 1.422(2) .
O2_15 C8_15 1.3487 .
O2_15 C12_15 1.423(2) .
C1_15 C2_15 1.3771 .
C1_15 H1_15 0.9301 .
C2_15 C3_15 1.3859 .
C2_15 H2_15 0.9298 .
C3_15 C4_15 1.3927 .
C4_15 C5_15 1.3952 .
C4_15 H4_15 0.9301 .
C5_15 C6_15 1.5005 .
C6_15 C7_15 1.3885 .
C7_15 C8_15 1.4023 .
C7_15 H7_15 0.9303 .
C8_15 C9_15 1.3846 .
C9_15 C10_15 1.3727 .
C9_15 H9_15 0.9295 .
C10_15 H10_15 0.9300 .
C11_15 H11A_15 0.9800 .
C11_15 H11B_15 0.9800 .
C11_15 H11C_15 0.9800 .
C12_15 H12A_15 0.9800 .
C12_15 H12B_15 0.9800 .
C12_15 H12C_15 0.9800 .
N1_16 C1_16 1.3417 .
N1_16 C5_16 1.3480 .
N2_16 C10_16 1.3460 .
N2_16 C6_16 1.3495 .
O1_16 C3_16 1.3508 .
O1_16 C11_16 1.422(2) .
O2_16 C8_16 1.3487 .
O2_16 C12_16 1.422(2) .
C1_16 C2_16 1.3771 .
C1_16 H1_16 0.9301 .
C2_16 C3_16 1.3859 .
C2_16 H2_16 0.9298 .
C3_16 C4_16 1.3927 .
C4_16 C5_16 1.3952 .
C4_16 H4_16 0.9301 .
C5_16 C6_16 1.5005 .
C6_16 C7_16 1.3885 .
C7_16 C8_16 1.4023 .
C7_16 H7_16 0.9302 .
C8_16 C9_16 1.3846 .
C9_16 C10_16 1.3727 .
C9_16 H9_16 0.9295 .
C10_16 H10_16 0.9299 .
C11_16 H11A_16 0.9800 .
C11_16 H11B_16 0.9800 .
C11_16 H11C_16 0.9800 .
C12_16 H12A_16 0.9800 .
C12_16 H12B_16 0.9800 .
C12_16 H12C_16 0.9800 .
N1_17 C1_17 1.3417 .
N1_17 C5_17 1.3480 .
N2_17 C10_17 1.3459 .
N2_17 C6_17 1.3495 .
O1_17 C3_17 1.3508 .
O1_17 C11_17 1.422(2) .
O2_17 C8_17 1.3488 .
O2_17 C12_17 1.422(2) .
C1_17 C2_17 1.3770 .
C1_17 H1_17 0.9301 .
C2_17 C3_17 1.3859 .
C2_17 H2_17 0.9298 .
C3_17 C4_17 1.3927 .
C4_17 C5_17 1.3952 .
C4_17 H4_17 0.9301 .
C5_17 C6_17 1.5005 .
C6_17 C7_17 1.3884 .
C7_17 C8_17 1.4023 .
C7_17 H7_17 0.9303 .
C8_17 C9_17 1.3846 .
C9_17 C10_17 1.3726 .
C9_17 H9_17 0.9295 .
C10_17 H10_17 0.9300 .
C11_17 H11A_17 0.9800 .
C11_17 H11B_17 0.9800 .
C11_17 H11C_17 0.9800 .
C12_17 H12A_17 0.9800 .
C12_17 H12B_17 0.9800 .
C12_17 H12C_17 0.9800 .
N1_18 C1_18 1.3417 .
N1_18 C5_18 1.3479 .
N2_18 C10_18 1.3459 .
N2_18 C6_18 1.3495 .
O1_18 C3_18 1.3508 .
O1_18 C11_18 1.423(2) .
O2_18 C8_18 1.3487 .
O2_18 C12_18 1.423(2) .
C1_18 C2_18 1.3771 .
C1_18 H1_18 0.9301 .
C2_18 C3_18 1.3860 .
C2_18 H2_18 0.9298 .
C3_18 C4_18 1.3927 .
C4_18 C5_18 1.3952 .
C4_18 H4_18 0.9301 .
C5_18 C6_18 1.5005 .
C6_18 C7_18 1.3885 .
C7_18 C8_18 1.4023 .
C7_18 H7_18 0.9302 .
C8_18 C9_18 1.3846 .
C9_18 C10_18 1.3727 .
C9_18 H9_18 0.9295 .
C10_18 H10_18 0.9300 .
C11_18 H11A_18 0.9800 .
C11_18 H11B_18 0.9800 .
C11_18 H11C_18 0.9800 .
C12_18 H12A_18 0.9800 .
C12_18 H12B_18 0.9800 .
C12_18 H12C_18 0.9800 .
N1_19 C1_19 1.3417 .
N1_19 C5_19 1.3480 .
N2_19 C10_19 1.3460 .
N2_19 C6_19 1.3495 .
O1_19 C3_19 1.3508 .
O1_19 C11_19 1.420(2) .
O2_19 C8_19 1.3488 .
O2_19 C12_19 1.422(2) .
C1_19 C2_19 1.3770 .
C1_19 H1_19 0.9302 .
C2_19 C3_19 1.3860 .
C2_19 H2_19 0.9298 .
C3_19 C4_19 1.3927 .
C4_19 C5_19 1.3952 .
C4_19 H4_19 0.9301 .
C5_19 C6_19 1.5005 .
C6_19 C7_19 1.3884 .
C7_19 C8_19 1.4023 .
C7_19 H7_19 0.9302 .
C8_19 C9_19 1.3846 .
C9_19 C10_19 1.3726 .
C9_19 H9_19 0.9295 .
C10_19 H10_19 0.9300 .
C11_19 H11A_19 0.9800 .
C11_19 H11B_19 0.9800 .
C11_19 H11C_19 0.9800 .
C12_19 H12A_19 0.9800 .
C12_19 H12B_19 0.9800 .
C12_19 H12C_19 0.9800 .
N1_20 C1_20 1.3417 .
N1_20 C5_20 1.3479 .
N2_20 C10_20 1.3459 .
N2_20 C6_20 1.3495 .
O1_20 C3_20 1.3508 .
O1_20 C11_20 1.422(2) .
O2_20 C8_20 1.3487 .
O2_20 C12_20 1.422(2) .
C1_20 C2_20 1.3770 .
C1_20 H1_20 0.9302 .
C2_20 C3_20 1.3860 .
C2_20 H2_20 0.9298 .
C3_20 C4_20 1.3927 .
C4_20 C5_20 1.3953 .
C4_20 H4_20 0.9300 .
C5_20 C6_20 1.5005 .
C6_20 C7_20 1.3885 .
C7_20 C8_20 1.4024 .
C7_20 H7_20 0.9302 .
C8_20 C9_20 1.3846 .
C9_20 C10_20 1.3727 .
C9_20 H9_20 0.9295 .
C10_20 H10_20 0.9300 .
C11_20 H11A_20 0.9800 .
C11_20 H11B_20 0.9800 .
C11_20 H11C_20 0.9800 .
C12_20 H12A_20 0.9800 .
C12_20 H12B_20 0.9800 .
C12_20 H12C_20 0.9800 .
N1_21 C1_21 1.3417 .
N1_21 C5_21 1.3479 .
N2_21 C10_21 1.3459 .
N2_21 C6_21 1.3495 .
O1_21 C3_21 1.3509 .
O1_21 C11_21 1.422(2) .
O2_21 C8_21 1.3488 .
O2_21 C12_21 1.422(2) .
C1_21 C2_21 1.3770 .
C1_21 H1_21 0.9301 .
C2_21 C3_21 1.3860 .
C2_21 H2_21 0.9298 .
C3_21 C4_21 1.3927 .
C4_21 C5_21 1.3953 .
C4_21 H4_21 0.9301 .
C5_21 C6_21 1.5005 .
C6_21 C7_21 1.3885 .
C7_21 C8_21 1.4023 .
C7_21 H7_21 0.9303 .
C8_21 C9_21 1.3846 .
C9_21 C10_21 1.3726 .
C9_21 H9_21 0.9295 .
C10_21 H10_21 0.9300 .
C11_21 H11A_21 0.9800 .
C11_21 H11B_21 0.9800 .
C11_21 H11C_21 0.9800 .
C12_21 H12A_21 0.9800 .
C12_21 H12B_21 0.9800 .
C12_21 H12C_21 0.9800 .
N1_22 C1_22 1.3418 .
N1_22 C5_22 1.3479 .
N2_22 C10_22 1.3459 .
N2_22 C6_22 1.3495 .
O1_22 C3_22 1.3509 .
O1_22 C11_22 1.422(2) .
O2_22 C8_22 1.3488 .
O2_22 C12_22 1.423(2) .
C1_22 C2_22 1.3770 .
C1_22 H1_22 0.9301 .
C2_22 C3_22 1.3860 .
C2_22 H2_22 0.9298 .
C3_22 C4_22 1.3927 .
C4_22 C5_22 1.3952 .
C4_22 H4_22 0.9301 .
C5_22 C6_22 1.5005 .
C6_22 C7_22 1.3885 .
C7_22 C8_22 1.4023 .
C7_22 H7_22 0.9302 .
C8_22 C9_22 1.3846 .
C9_22 C10_22 1.3726 .
C9_22 H9_22 0.9296 .
C10_22 H10_22 0.9300 .
C11_22 H11A_22 0.9800 .
C11_22 H11B_22 0.9800 .
C11_22 H11C_22 0.9800 .
C12_22 H12A_22 0.9800 .
C12_22 H12B_22 0.9800 .
C12_22 H12C_22 0.9800 .
N1_23 C1_23 1.3417 .
N1_23 C5_23 1.3479 .
N2_23 C10_23 1.3460 .
N2_23 C6_23 1.3495 .
O1_23 C3_23 1.3508 .
O1_23 C11_23 1.421(2) .
O2_23 C8_23 1.3488 .
O2_23 C12_23 1.423(2) .
C1_23 C2_23 1.3770 .
C1_23 H1_23 0.9302 .
C2_23 C3_23 1.3859 .
C2_23 H2_23 0.9298 .
C3_23 C4_23 1.3927 .
C4_23 C5_23 1.3952 .
C4_23 H4_23 0.9301 .
C5_23 C6_23 1.5006 .
C6_23 C7_23 1.3884 .
C7_23 C8_23 1.4024 .
C7_23 H7_23 0.9302 .
C8_23 C9_23 1.3846 .
C9_23 C10_23 1.3727 .
C9_23 H9_23 0.9295 .
C10_23 H10_23 0.9300 .
C11_23 H11A_23 0.9800 .
C11_23 H11B_23 0.9800 .
C11_23 H11C_23 0.9800 .
C12_23 H12A_23 0.9800 .
C12_23 H12B_23 0.9800 .
C12_23 H12C_23 0.9800 .
N1_24 C1_24 1.3418 .
N1_24 C5_24 1.3479 .
N2_24 C10_24 1.3460 .
N2_24 C6_24 1.3496 .
O1_24 C3_24 1.3509 .
O1_24 C11_24 1.421(2) .
O2_24 C8_24 1.3487 .
O2_24 C12_24 1.422(2) .
C1_24 C2_24 1.3771 .
C1_24 H1_24 0.9301 .
C2_24 C3_24 1.3859 .
C2_24 H2_24 0.9297 .
C3_24 C4_24 1.3926 .
C4_24 C5_24 1.3952 .
C4_24 H4_24 0.9301 .
C5_24 C6_24 1.5005 .
C6_24 C7_24 1.3884 .
C7_24 C8_24 1.4023 .
C7_24 H7_24 0.9302 .
C8_24 C9_24 1.3846 .
C9_24 C10_24 1.3727 .
C9_24 H9_24 0.9295 .
C10_24 H10_24 0.9299 .
C11_24 H11A_24 0.9800 .
C11_24 H11B_24 0.9800 .
C11_24 H11C_24 0.9800 .
C12_24 H12A_24 0.9800 .
C12_24 H12B_24 0.9800 .
C12_24 H12C_24 0.9800 .
Cl1_25 O4_25 1.4424 .
Cl1_25 O1_25 1.4424 .
Cl1_25 O2_25 1.4424 .
Cl1_25 O3_25 1.4424 .
Cl1_26 O3_26 1.4423 .
Cl1_26 O2_26 1.4424 .
Cl1_26 O1_26 1.4424 .
Cl1_26 O4_26 1.4426 .
Cl1_27 O4_27 1.4424 .
Cl1_27 O3_27 1.4424 .
Cl1_27 O2_27 1.4424 .
Cl1_27 O1_27 1.4424 .
Cl1_28 O2_28 1.4424 .
Cl1_28 O4_28 1.4424 .
Cl1_28 O1_28 1.4424 .
Cl1_28 O3_28 1.4425 .
Cl1_29 O3_29 1.4424 .
Cl1_29 O4_29 1.4424 .
Cl1_29 O1_29 1.4425 .
Cl1_29 O2_29 1.4425 .
Cl1_30 O4_30 1.4424 .
Cl1_30 O1_30 1.4424 .
Cl1_30 O2_30 1.4424 .
Cl1_30 O3_30 1.4424 .
O1_31 C1_31 1.31(2) .
O2_31 C1_31 1.28(2) .
O3_31 C2_31 1.23(2) .
O4_31 C2_31 1.32(2) .
O5_31 C3_31 1.26(2) .
O6_31 C3_31 1.26(2) .
C1_31 C4_31 1.49(3) .
C2_31 C6_31 1.51(3) .
C3_31 C8_31 1.50(3) .
C4_31 C5_31 1.38(3) .
C4_31 C9_31 1.39(2) .
C5_31 C6_31 1.36(2) .
C5_31 H5_31 0.9500 .
C6_31 C7_31 1.38(2) .
C7_31 C8_31 1.38(3) .
C7_31 H7_31 0.9500 .
C8_31 C9_31 1.38(3) .
C9_31 H9_31 0.9500 .
O1_32 C1_32 1.28(2) .
O2_32 C1_32 1.24(2) .
O3_32 C2_32 1.28(2) .
O4_32 C2_32 1.21(2) .
O5_32 C3_32 1.16(2) .
O6_32 C3_32 1.30(2) .
C1_32 C4_32 1.47(3) .
C2_32 C6_32 1.55(3) .
C3_32 C8_32 1.53(3) .
C4_32 C9_32 1.39(2) .
C4_32 C5_32 1.39(3) .
C5_32 C6_32 1.40(3) .
C5_32 H5_32 0.9500 .
C6_32 C7_32 1.39(3) .
C7_32 C8_32 1.38(3) .
C7_32 H7_32 0.9500 .
C8_32 C9_32 1.45(3) .
C9_32 H9_32 0.9500 .
O1_33 C1_33 1.24(2) .
O2_33 C1_33 1.28(2) .
O3_33 C2_33 1.28(2) .
O4_33 C2_33 1.26(2) .
O5_33 C3_33 1.27(2) .
O6_33 C3_33 1.26(2) .
C1_33 C4_33 1.45(3) .
C2_33 C6_33 1.47(3) .
C3_33 C8_33 1.43(3) .
C4_33 C9_33 1.39(2) .
C4_33 C5_33 1.47(2) .
C5_33 C6_33 1.29(2) .
C5_33 H5_33 0.9500 .
C6_33 C7_33 1.40(3) .
C7_33 C8_33 1.48(2) .
C7_33 H7_33 0.9500 .
C8_33 C9_33 1.38(2) .
C9_33 H9_33 0.9500 .
O1_34 C1_34 1.25(2) .
O2_34 C1_34 1.25(2) .
O3_34 C2_34 1.28(2) .
O4_34 C2_34 1.27(2) .
O5_34 C3_34 1.28(2) .
O6_34 C3_34 1.27(2) .
C1_34 C4_34 1.48(3) .
C2_34 C6_34 1.45(3) .
C3_34 C8_34 1.49(3) .
C4_34 C5_34 1.30(2) .
C4_34 C9_34 1.42(3) .
C5_34 C6_34 1.44(3) .
C5_34 H5_34 0.9500 .
C6_34 C7_34 1.37(3) .
C7_34 C8_34 1.46(3) .
C7_34 H7_34 0.9500 .
C8_34 C9_34 1.32(3) .
C9_34 H9_34 0.9500 .
O1_35 C1_35 1.269(19) .
O2_35 C1_35 1.265(18) .
O3_35 C2_35 1.260(17) .
O4_35 C2_35 1.260(17) .
O5_35 C3_35 1.296(19) .
O6_35 C3_35 1.211(19) .
C1_35 C4_35 1.51(2) .
C2_35 C6_35 1.53(2) .
C3_35 C8_35 1.55(2) .
C4_35 C5_35 1.38(2) .
C4_35 C9_35 1.42(2) .
C5_35 C6_35 1.41(2) .
C5_35 H5_35 0.9500 .
C6_35 C7_35 1.37(2) .
C7_35 C8_35 1.42(2) .
C7_35 H7_35 0.9500 .
C8_35 C9_35 1.31(2) .
C9_35 H9_35 0.9500 .
O1_36 C1_36 1.305(19) .
O2_36 C1_36 1.215(19) .
O3_36 C2_36 1.238(18) .
O4_36 C2_36 1.238(17) .
O5_36 C3_36 1.24(2) .
O6_36 C3_36 1.27(2) .
C1_36 C4_36 1.51(2) .
C2_36 C6_36 1.53(2) .
C3_36 C8_36 1.42(3) .
C4_36 C9_36 1.35(2) .
C4_36 C5_36 1.39(2) .
C5_36 C6_36 1.34(2) .
C5_36 H5_36 0.9500 .
C6_36 C7_36 1.43(2) .
C7_36 C8_36 1.40(2) .
C7_36 H7_36 0.9500 .
C8_36 C9_36 1.44(2) .
C9_36 H9_36 0.9500 .
O1_37 C1_37 1.214(17) .
O2_37 C1_37 1.259(17) .
O3_37 C2_37 1.253(18) .
O4_37 C2_37 1.305(17) .
O5_37 C3_37 1.287(18) .
O6_37 C3_37 1.251(18) .
C1_37 C4_37 1.46(2) .
C2_37 C6_37 1.43(2) .
C3_37 C8_37 1.54(2) .
C4_37 C9_37 1.40(2) .
C4_37 C5_37 1.41(2) .
C5_37 C6_37 1.42(2) .
C5_37 H5_37 0.9500 .
C6_37 C7_37 1.39(2) .
C7_37 C8_37 1.39(2) .
C7_37 H7_37 0.9500 .
C8_37 C9_37 1.35(2) .
C9_37 H9_37 0.9500 .
O1_38 C1_38 1.26(2) .
O2_38 C1_38 1.24(2) .
O3_38 C2_38 1.267(19) .
O4_38 C2_38 1.290(19) .
O5_38 C3_38 1.290(18) .
O6_38 C3_38 1.270(17) .
C1_38 C4_38 1.52(3) .
C2_38 C6_38 1.49(2) .
C3_38 C8_38 1.46(2) .
C4_38 C5_38 1.38(2) .
C4_38 C9_38 1.43(2) .
C5_38 C6_38 1.34(2) .
C5_38 H5_38 0.9500 .
C6_38 C7_38 1.39(2) .
C7_38 C8_38 1.38(2) .
C7_38 H7_38 0.9500 .
C8_38 C9_38 1.37(2) .
C9_38 H9_38 0.9500 .
