#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/24/4502471.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_4502471
loop_
_publ_author_name
'Li, Shun-Li'
'Tan, Ke'
'Lan, Ya-Qian'
'Qin, Jun-Sheng'
'Li, Mei-Na'
'Du, Dong-Ying'
'Zang, Hong-Ying'
'Su, Zhong-Min'
_publ_section_title
;
 pH-Dependent Binary Metal−Organic Compounds Assembled from
 Different Helical Units: Structural Variation and Supramolecular Isomers
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1699
_journal_paper_doi               10.1021/cg9012763
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C26 H22 Cd N2 O7'
_chemical_formula_weight         586.86
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.8830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   47.6730(3)
_cell_length_b                   6.7800(8)
_cell_length_c                   16.1100(12)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      1.79
_cell_volume                     4982.7(7)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       62
_diffrn_reflns_limit_h_min       -61
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14821
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.79
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_T_max  0.779
_exptl_absorpt_correction_T_min  0.744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.814
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         6000
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0769
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0478P)²+77.2739P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1845
_refine_ls_wR_factor_ref         0.1897
_reflns_number_gt                5115
_reflns_number_total             6000
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg9012763_si_001.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      C2/C
_cod_database_code               4502471
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.56834(14) -0.0374(10) 0.4554(4) 0.0379(14) Uani 1 1 d .
C2 C 0.54033(15) -0.1514(11) 0.4263(5) 0.0456(16) Uani 1 1 d .
C3 C 0.53984(16) -0.3567(11) 0.4202(6) 0.054(2) Uani 1 1 d .
H3 H 0.5574 -0.4266 0.4351 0.065 Uiso 1 1 calc R
C4 C 0.51371(15) -0.4566(11) 0.3925(5) 0.0517(19) Uani 1 1 d .
H4 H 0.5139 -0.5934 0.3888 0.062 Uiso 1 1 calc R
C5 C 0.48789(16) -0.3612(11) 0.3706(7) 0.062(2) Uani 1 1 d .
C6 C 0.4878(2) -0.1560(16) 0.3781(15) 0.177(10) Uani 1 1 d .
H6 H 0.4702 -0.0869 0.3635 0.213 Uiso 1 1 calc R
C7 C 0.5135(2) -0.0588(16) 0.4065(14) 0.171(10) Uani 1 1 d .
H7 H 0.5131 0.0773 0.4131 0.206 Uiso 1 1 calc R
C8 C 0.62977(16) 0.2395(12) 0.3074(5) 0.0484(18) Uani 1 1 d .
H8 H 0.6492 0.2190 0.3395 0.058 Uiso 1 1 calc R
C9 C 0.62352(16) 0.2701(13) 0.2188(5) 0.054(2) Uani 1 1 d .
H9 H 0.6383 0.2676 0.1919 0.065 Uiso 1 1 calc R
C10 C 0.59478(17) 0.3044(11) 0.1717(5) 0.0475(17) Uani 1 1 d .
H10 H 0.5899 0.3259 0.1122 0.057 Uiso 1 1 calc R
C11 C 0.57333(15) 0.3065(10) 0.2133(4) 0.0396(14) Uani 1 1 d .
C12 C 0.58178(14) 0.2731(10) 0.3015(4) 0.0357(13) Uani 1 1 d .
H12 H 0.5674 0.2750 0.3300 0.043 Uiso 1 1 calc R
C13 C 0.54172(15) 0.3534(11) 0.1676(5) 0.0445(16) Uani 1 1 d .
H13A H 0.5357 0.2906 0.1111 0.053 Uiso 1 1 calc R
H13B H 0.5292 0.3058 0.2012 0.053 Uiso 1 1 calc R
C14 C 0.65101(16) 0.2388(16) 0.6990(5) 0.061(2) Uani 1 1 d .
H14 H 0.6673 0.2435 0.6782 0.073 Uiso 1 1 calc R
C15 C 0.65540(17) 0.2674(17) 0.7868(5) 0.063(3) Uani 1 1 d .
C16 C 0.63142(18) 0.2573(15) 0.8179(5) 0.060(2) Uani 1 1 d .
H16 H 0.6337 0.2702 0.8770 0.072 Uiso 1 1 calc R
C17 C 0.60422(15) 0.2281(11) 0.7607(5) 0.0437(16) Uani 1 1 d .
H17 H 0.5877 0.2252 0.7801 0.052 Uiso 1 1 calc R
C18 C 0.60179(14) 0.2033(11) 0.6749(4) 0.0405(15) Uani 1 1 d .
H18 H 0.5832 0.1843 0.6366 0.049 Uiso 1 1 calc R
C19' C 0.6890(5) 0.247(3) 0.8512(13) 0.070(5) Uiso 0.50 1 d P
C19 C 0.6825(4) 0.373(3) 0.8450(11) 0.055(4) Uiso 0.50 1 d P
C20 C 0.71613(19) -0.2314(16) 0.6319(7) 0.057(4) Uiso 0.50 1 d PG
C21 C 0.7456(2) -0.2809(14) 0.6624(7) 0.067(5) Uiso 0.50 1 d PG
C22 C 0.76662(16) -0.1608(17) 0.6434(7) 0.048(3) Uiso 0.50 1 d PG
C23 C 0.7581(2) 0.0088(16) 0.5941(8) 0.063(4) Uiso 0.50 1 d PG
C24 C 0.7285(2) 0.0583(14) 0.5636(7) 0.064(5) Uiso 0.50 1 d PG
C25 C 0.70758(16) -0.0619(17) 0.5825(7) 0.049(4) Uani 0.50 1 d PGD
C20' C 0.7537(4) -0.131(2) 0.5730(11) 0.093(7) Uiso 0.50 1 d PG
C21' C 0.7734(3) -0.007(3) 0.6305(10) 0.077(5) Uiso 0.50 1 d PG
C22' C 0.7639(3) 0.172(2) 0.6546(10) 0.112(9) Uiso 0.50 1 d PG
C23' C 0.7347(4) 0.227(2) 0.6212(11) 0.102(8) Uiso 0.50 1 d PG
C24' C 0.7150(3) 0.104(3) 0.5637(11) 0.086(6) Uiso 0.50 1 d PGD
C25' C 0.7245(3) -0.075(2) 0.5397(10) 0.103(8) Uiso 0.50 1 d PG
C26' C 0.6832(4) 0.165(6) 0.533(2) 0.117(11) Uiso 0.50 1 d PD
C26 C 0.6756(2) -0.007(3) 0.5537(11) 0.051(4) Uiso 0.50 1 d PD
N1 N 0.62485(12) 0.2047(10) 0.6423(3) 0.0447(14) Uani 1 1 d .
N2 N 0.60948(12) 0.2380(9) 0.3485(3) 0.0379(12) Uani 1 1 d .
O1 O 0.59212(10) -0.1256(8) 0.4621(4) 0.0502(13) Uani 1 1 d .
O2 O 0.56729(11) 0.1423(8) 0.4697(3) 0.0482(12) Uani 1 1 d .
O3 O 0.46060(11) -0.4417(9) 0.3414(5) 0.079(2) Uani 1 1 d .
O4 O 0.6697(3) 0.162(2) 0.5146(9) 0.057(3) Uiso 0.50 1 d P
O5 O 0.6574(3) -0.1201(18) 0.5595(8) 0.060(3) Uiso 0.50 1 d P
O6 O 0.7054(2) 0.2637(17) 0.8220(7) 0.052(3) Uiso 0.50 1 d P
Cd1 Cd 0.620535(10) 0.17222(8) 0.49636(3) 0.03676(16) Uani 1 1 d .
O6' O 0.6960(3) 0.442(2) 0.8296(10) 0.083(4) Uiso 0.50 1 d P
O4' O 0.6753(4) 0.329(3) 0.5278(12) 0.106(5) Uiso 0.50 1 d P
O5' O 0.6658(4) 0.041(3) 0.5087(11) 0.086(4) Uiso 0.50 1 d P
O1W O 0.62245(16) 0.5291(9) 0.5084(4) 0.0696(17) Uani 1 1 d D
H1B H 0.6116(18) 0.631(9) 0.495(7) 0.104 Uiso 1 1 d D
H1A H 0.6385(12) 0.562(14) 0.545(6) 0.104 Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
O2 C1 O1 122.3(6) . .
O2 C1 C2 118.9(6) . .
O1 C1 C2 118.8(6) . .
C7 C2 C3 116.3(7) . .
C7 C2 C1 121.4(7) . .
C3 C2 C1 122.2(6) . .
C4 C3 C2 120.7(7) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C5 C4 C3 121.5(7) . .
C5 C4 H4 119.2 . .
C3 C4 H4 119.2 . .
C4 C5 O3 127.4(7) . .
C4 C5 C6 118.8(8) . .
O3 C5 C6 113.8(7) . .
C7 C6 C5 119.4(10) . .
C7 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C6 C7 C2 123.2(10) . .
C6 C7 H7 118.4 . .
C2 C7 H7 118.4 . .
N2 C8 C9 123.2(7) . .
N2 C8 H8 118.4 . .
C9 C8 H8 118.4 . .
C10 C9 C8 118.3(7) . .
C10 C9 H9 120.8 . .
C8 C9 H9 120.8 . .
C11 C10 C9 119.5(7) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C10 C11 C12 117.7(6) . .
C10 C11 C13 122.9(6) . .
C12 C11 C13 119.4(6) . .
N2 C12 C11 123.9(6) . .
N2 C12 H12 118.1 . .
C11 C12 H12 118.1 . .
O3 C13 C11 107.3(6) 2_665 .
O3 C13 H13A 110.2 2_665 .
C11 C13 H13A 110.2 . .
O3 C13 H13B 110.2 2_665 .
C11 C13 H13B 110.2 . .
H13A C13 H13B 108.5 . .
N1 C14 C15 123.9(7) . .
N1 C14 H14 118.0 . .
C15 C14 H14 118.0 . .
C16 C15 C14 118.1(7) . .
C16 C15 C19 116.2(9) . .
C14 C15 C19 122.8(9) . .
C16 C15 C19' 121.8(10) . .
C14 C15 C19' 117.7(10) . .
C17 C16 C15 119.1(7) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C18 C17 C16 119.0(7) . .
C18 C17 H17 120.5 . .
C16 C17 H17 120.5 . .
N1 C18 C17 123.7(6) . .
N1 C18 H18 118.2 . .
C17 C18 H18 118.2 . .
O6 C19' O6' 61.6(14) . .
C19 C19' C15 67.2(19) . .
O6 C19' C15 115.7(18) . .
O6' C19' C15 91.3(14) . .
O6' C19 C19' 106(3) . .
O6' C19 O6 62.6(16) . .
O6' C19 C15 129(2) . .
C19' C19 C15 80(2) . .
O6 C19 C15 99.8(12) . .
C21 C20 C25 120.0 . .
C21 C20 C25' 89.4(5) . .
C20 C21 C22 120.0 . .
C20 C21 C20' 90.6(5) . .
C21' C22 C20' 75.6(11) . .
C21' C22 O6 97.0(10) . 4_646
C20' C22 O6 130.1(13) . 4_646
C20' C22 C23 45.5(8) . .
O6 C22 C23 128.6(9) 4_646 .
C21' C22 C21 147.6(9) . .
C20' C22 C21 96.2(9) . .
O6 C22 C21 111.4(9) 4_646 .
C23 C22 C21 120.0 . .
C21' C22 O6' 52.1(8) . 4_646
C20' C22 O6' 111.8(12) . 4_646
O6 C22 O6' 45.0(7) 4_646 4_646
C23 C22 O6' 85.7(8) . 4_646
C21 C22 O6' 151.3(8) . 4_646
C21' C23 C20' 100.0(16) . .
C21' C23 C24 155.0(16) . .
C20' C23 C24 91.1(10) . .
C21' C23 C22 54.2(14) . .
C20' C23 C22 54.0(11) . .
C24 C23 C22 120.0 . .
C21' C23 C22' 69.8(12) . .
C20' C23 C22' 157.8(15) . .
C24 C23 C22' 91.7(9) . .
C22 C23 C22' 106.2(10) . .
C21' C23 C25' 149.6(16) . .
C20' C23 C25' 55.6(7) . .
C22 C23 C25' 95.5(7) . .
C22' C23 C25' 125.2(10) . .
C21' C23 C23' 113.1(15) . .
C20' C23 C23' 134.8(11) . .
C24 C23 C23' 47.1(7) . .
C22 C23 C23' 125.7(7) . .
C25' C23 C23' 81.8(6) . .
C24' C24 C25' 109.1(19) . .
C24' C24 C23 157.5(18) . .
C25' C24 C23 88.8(10) . .
C24' C24 C25 63.1(17) . .
C25' C24 C25 58.3(12) . .
C23 C24 C25 120.0 . .
C24' C24 C23' 70.7(14) . .
C25' C24 C23' 164.1(16) . .
C23 C24 C23' 88.3(9) . .
C25 C24 C23' 110.3(10) . .
C24' C24 C20' 157.2(19) . .
C25' C24 C20' 53.4(7) . .
C25 C24 C20' 94.1(6) . .
C23' C24 C20' 121.5(10) . .
C24' C24 C22' 113.0(17) . .
C25' C24 C22' 131.2(11) . .
C23 C24 C22' 45.3(7) . .
C25 C24 C22' 124.1(7) . .
C20' C24 C22' 79.0(6) . .
C25' C25 C20 97.6(9) . .
C24' C25 C20 146.2(8) . .
C24 C25 C20 120.0 . .
C25' C25 C26 128.8(13) . .
C24' C25 C26 92.1(10) . .
C24 C25 C26 121.1(10) . .
C20 C25 C26 118.9(10) . .
C25' C25 C26' 104.2(14) . .
C24' C25 C26' 50.7(10) . .
C24 C25 C26' 80.3(11) . .
C20 C25 C26' 157.7(11) . .
C23 C20' C22 80.4(13) . .
C22 C20' C21' 51.7(11) . .
C23 C20' C25' 87.8(8) . .
C22 C20' C25' 128.6(11) . .
C21' C20' C25' 120.0 . .
C23 C20' C24 53.4(7) . .
C22 C20' C24 112.3(11) . .
C21' C20' C24 85.9(6) . .
C23 C20' C21 108.5(13) . .
C22 C20' C21 46.9(7) . .
C21' C20' C21 93.7(9) . .
C25' C20' C21 92.2(8) . .
C24 C20' C21 100.2(8) . .
C23 C21' C22 90.7(15) . .
C23 C21' C22' 77.5(12) . .
C22 C21' C22' 128.4(11) . .
C23 C21' C20' 45.4(12) . .
C22 C21' C20' 52.7(10) . .
C22' C21' C20' 120.0 . .
C23 C21' O6' 160(2) . 4_646
C22 C21' O6' 90.2(12) . 4_646
C22' C21' O6' 116.8(13) . 4_646
C20' C21' O6' 123.2(13) . 4_646
C23 C21' O6 132.5(18) . 4_646
C22 C21' O6 46.7(7) . 4_646
C22' C21' O6 141.6(10) . 4_646
C20' C21' O6 87.3(10) . 4_646
C23' C22' C21' 120.0 . .
C23' C22' C23 88.4(6) . .
C23' C22' C24 45.4(5) . .
C21' C22' C24 74.8(5) . .
C22' C23' C24' 120.0 . .
C22' C23' C24 91.5(6) . .
C22' C23' C23 46.9(5) . .
C24' C23' C23 73.5(4) . .
C24 C24' C25 86.0(17) . .
C24 C24' C23' 80.1(14) . .
C25 C24' C23' 124.6(11) . .
C25 C24' C25' 54.3(10) . .
C23' C24' C25' 120.0 . .
C24 C24' C26' 160(3) . .
C25 C24' C26' 89.7(18) . .
C23' C24' C26' 118.1(19) . .
C25' C24' C26' 121.7(19) . .
C24 C24' C26 132(2) . .
C25 C24' C26 49.2(7) . .
C23' C24' C26 136.2(11) . .
C25' C24' C26 91.4(10) . .
C25 C25' C24' 56.6(11) . .
C24 C25' C20' 92.2(9) . .
C25 C25' C20' 124.0(11) . .
C24' C25' C20' 120.0 . .
C24 C25' C23 55.6(7) . .
C25 C25' C23 111.6(11) . .
C24' C25' C23 84.1(6) . .
C24 C25' C20 105.1(14) . .
C24' C25' C20 96.1(9) . .
C20' C25' C20 87.8(8) . .
C23 C25' C20 99.2(8) . .
O4 C26' O4' 74(3) . .
O5' C26' O4' 118.3(19) . .
O4 C26' C26 77(4) . .
O4' C26' C26 140(2) . .
O4 C26' C24' 161(6) . .
O5' C26' C24' 118(3) . .
O4' C26' C24' 124(3) . .
C26 C26' C24' 90.1(19) . .
O4 C26' C25 126(5) . .
O5' C26' C25 82(2) . .
O4' C26' C25 157(3) . .
C26 C26' C25 50.5(11) . .
O5' C26 O5 95.0(19) . .
O5' C26 C26' 63(2) . .
O5 C26 C26' 150.9(13) . .
O5 C26 O4 123.4(12) . .
O5' C26 C25 130(2) . .
O5 C26 C25 121.0(14) . .
C26' C26 C25 88.1(11) . .
O4 C26 C25 115.2(13) . .
O5' C26 C24' 102(2) . .
O5 C26 C24' 159.7(13) . .
C26' C26 C24' 49.4(8) . .
O4 C26 C24' 76.8(11) . .
C14 N1 C18 116.2(6) . .
C14 N1 Cd1 120.1(5) . .
C18 N1 Cd1 123.6(4) . .
C8 N2 C12 117.4(6) . .
C8 N2 Cd1 122.2(5) . .
C12 N2 Cd1 120.4(4) . .
C1 O1 Cd1 93.1(4) . .
C1 O2 Cd1 91.0(4) . .
C5 O3 C13 118.2(6) . 2_645
C26' O4 O5' 104(5) . .
C26' O4 O4' 75(4) . .
O5' O4 O4' 176(2) . .
C26' O4 C26 75(4) . .
O4' O4 C26 139.5(18) . .
C26' O4 Cd1 159(4) . .
O5' O4 Cd1 80.1(17) . .
O4' O4 Cd1 99.5(14) . .
C26 O4 Cd1 99.2(10) . .
C26 O5 Cd1 84.5(9) . .
O5' O5 Cd1 59.5(8) . .
C19' O6 O6' 74.5(16) . .
C19' O6 C22 129(2) . 4_656
O6' O6 C22 86.4(18) . 4_656
C22 O6 C19 114.6(19) 4_656 .
C19' O6 C21' 107(2) . 4_656
O6' O6 C21' 50(2) . 4_656
C19 O6 C21' 80(2) . 4_656
O4 Cd1 O5' 21.2(5) . .
O4 Cd1 N1 95.0(4) . .
O5' Cd1 N1 98.4(4) . .
O4 Cd1 N2 93.2(4) . .
O5' Cd1 N2 95.2(4) . .
N1 Cd1 N2 161.7(2) . .
O4 Cd1 O1 119.6(4) . .
O5' Cd1 O1 98.5(5) . .
N1 Cd1 O1 101.1(2) . .
N2 Cd1 O1 88.9(2) . .
O4 Cd1 O1W 90.4(4) . .
O5' Cd1 O1W 111.6(5) . .
N1 Cd1 O1W 80.4(2) . .
N2 Cd1 O1W 83.3(2) . .
O1 Cd1 O1W 149.4(2) . .
O4 Cd1 O2 173.0(4) . .
O5' Cd1 O2 152.1(5) . .
N1 Cd1 O2 88.15(19) . .
N2 Cd1 O2 85.51(18) . .
O1 Cd1 O2 53.55(18) . .
O1W Cd1 O2 96.3(2) . .
O4 Cd1 O5 52.0(5) . .
O5' Cd1 O5 34.1(5) . .
N1 Cd1 O5 80.1(3) . .
N2 Cd1 O5 117.6(3) . .
O1 Cd1 O5 74.2(3) . .
O1W Cd1 O5 135.2(3) . .
O2 Cd1 O5 122.8(3) . .
C19 O6' O6 80.3(18) . .
C19 O6' C21' 136(2) . 4_656
O6 O6' C21' 86(3) . 4_656
C19' O6' C21' 113(2) . 4_656
C19 O6' C22 118(2) . 4_656
O6 O6' C22 48.6(13) . 4_656
C19' O6' C22 82.7(14) . 4_656
C26 O5' O4 104(3) . .
C26 O5' C26' 79(2) . .
C26 O5' O5 52.2(16) . .
O4 O5' O5 138(2) . .
C26' O5' O5 128(2) . .
C26 O5' Cd1 121.4(18) . .
O4 O5' Cd1 78.7(17) . .
C26' O5' Cd1 108.2(17) . .
O5 O5' Cd1 86.4(9) . .
Cd1 O1W H1B 141(7) . .
Cd1 O1W H1A 109(7) . .
H1B O1W H1A 109(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.244(9) .
C1 O1 1.258(8) .
C1 C2 1.496(9) .
C2 C7 1.376(12) .
C2 C3 1.394(10) .
C3 C4 1.374(10) .
C3 H3 0.9300 .
C4 C5 1.344(10) .
C4 H4 0.9300 .
C5 O3 1.363(9) .
C5 C6 1.397(13) .
C6 C7 1.349(13) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 N2 1.321(8) .
C8 C9 1.387(11) .
C8 H8 0.9300 .
C9 C10 1.380(11) .
C9 H9 0.9300 .
C10 C11 1.376(10) .
C10 H10 0.9300 .
C11 C12 1.378(9) .
C11 C13 1.507(9) .
C12 N2 1.339(8) .
C12 H12 0.9300 .
C13 O3 1.398(9) 2_665
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N1 1.334(9) .
C14 C15 1.382(10) .
C14 H14 0.9300 .
C15 C16 1.377(11) .
C15 C19 1.536(19) .
C15 C19' 1.64(2) .
C16 C17 1.370(10) .
C16 H16 0.9300 .
C17 C18 1.365(10) .
C17 H17 0.9300 .
C18 N1 1.348(8) .
C18 H18 0.9300 .
C19' C19 0.90(2) .
C19' O6 1.03(2) .
C19' O6' 1.43(3) .
C19 O6' 0.89(2) .
C19 O6 1.45(2) .
C20 C21 1.3900 .
C20 C25 1.3900 .
C20 C25' 1.96(2) .
C21 C22 1.3900 .
C21 C20' 1.891(19) .
C22 C21' 1.13(2) .
C22 C20' 1.141(19) .
C22 O6 1.386(13) 4_646
C22 C23 1.3900 .
C22 O6' 1.843(18) 4_646
C23 C21' 0.800(15) .
C23 C20' 1.006(16) .
C23 C24 1.3900 .
C23 C22' 1.446(17) .
C23 C25' 1.683(15) .
C23 C23' 1.978(16) .
C24 C24' 0.716(15) .
C24 C25' 0.980(18) .
C24 C25 1.3900 .
C24 C23' 1.451(18) .
C24 C20' 1.731(15) .
C24 C22' 2.035(16) .
C25 C25' 1.21(2) .
C25 C24' 1.24(2) .
C25 C26 1.506(9) .
C25 C26' 1.95(3) .
C20' C21' 1.3900 .
C20' C25' 1.3900 .
C21' C22' 1.3900 .
C21' O6' 1.454(19) 4_646
C21' O6 1.890(18) 4_646
C22' C23' 1.3900 .
C23' C24' 1.3900 .
C24' C25' 1.3900 .
C24' C26' 1.509(10) .
C24' C26 1.99(2) .
C26' O4 0.63(2) .
C26' O5' 1.16(4) .
C26' O4' 1.17(4) .
C26' C26 1.29(4) .
C26 O5' 0.810(19) .
C26 O5 1.181(18) .
C26 O4 1.30(2) .
N1 Cd1 2.311(6) .
N2 Cd1 2.328(5) .
O1 Cd1 2.405(5) .
O2 Cd1 2.457(5) .
O3 C13 1.398(9) 2_645
O4 O5' 0.839(19) .
O4 O4' 1.17(2) .
O4 Cd1 2.276(14) .
O5 O5' 1.49(2) .
O5 Cd1 2.649(12) .
O6 O6' 1.306(19) .
O6 C22 1.39(4) 4_656
O6 C21' 1.89(6) 4_656
Cd1 O5' 2.287(17) .
Cd1 O1W 2.427(6) .
O6' C21' 1.45(6) 4_656
O6' C22 1.84(4) 4_656
O1W H1B 0.85(7) .
O1W H1A 0.85(8) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1B O1 0.85(7) 1.89(7) 2.739(8) 172(11) 1_565
O1W H1A O5 0.85(8) 2.32(9) 2.884(14) 124(8) 1_565
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 C1 C2 C7 6.9(15) . .
O1 C1 C2 C7 -171.1(12) . .
O2 C1 C2 C3 -171.1(8) . .
O1 C1 C2 C3 10.8(12) . .
C7 C2 C3 C4 2.5(17) . .
C1 C2 C3 C4 -179.4(7) . .
C2 C3 C4 C5 -0.2(15) . .
C3 C4 C5 O3 179.2(10) . .
C3 C4 C5 C6 -1.2(19) . .
C4 C5 C6 C7 0(3) . .
O3 C5 C6 C7 179.8(18) . .
C5 C6 C7 C2 2(3) . .
C3 C2 C7 C6 -4(3) . .
C1 C2 C7 C6 178.3(18) . .
N2 C8 C9 C10 1.3(14) . .
C8 C9 C10 C11 -0.3(13) . .
C9 C10 C11 C12 -0.2(11) . .
C9 C10 C11 C13 176.7(7) . .
C10 C11 C12 N2 -0.3(11) . .
C13 C11 C12 N2 -177.3(6) . .
C10 C11 C13 O3 -78.9(9) . 2_665
C12 C11 C13 O3 97.9(8) . 2_665
N1 C14 C15 C16 1.0(17) . .
N1 C14 C15 C19 -158.8(12) . .
N1 C14 C15 C19' 163.5(12) . .
C14 C15 C16 C17 -2.8(16) . .
C19 C15 C16 C17 158.4(11) . .
C19' C15 C16 C17 -164.5(12) . .
C15 C16 C17 C18 2.1(14) . .
C16 C17 C18 N1 0.4(12) . .
C16 C15 C19' C19 -90(2) . .
C14 C15 C19' C19 108(2) . .
C16 C15 C19' O6 -176.9(17) . .
C14 C15 C19' O6 21(3) . .
C19 C15 C19' O6 -87(3) . .
C16 C15 C19' O6' -118.1(14) . .
C14 C15 C19' O6' 80.1(15) . .
C19 C15 C19' O6' -28.2(16) . .
O6 C19' C19 O6' -13(3) . .
C15 C19' C19 O6' -128(2) . .
O6' C19' C19 O6 13(3) . .
C15 C19' C19 O6 -114.9(17) . .
O6 C19' C19 C15 114.9(17) . .
O6' C19' C19 C15 128(2) . .
C16 C15 C19 O6' -148(2) . .
C14 C15 C19 O6' 12(3) . .
C19' C15 C19 O6' 103(3) . .
C16 C15 C19 C19' 109(2) . .
C14 C15 C19 C19' -91(2) . .
C16 C15 C19 O6 149.0(11) . .
C14 C15 C19 O6 -50.8(17) . .
C19' C15 C19 O6 40.4(16) . .
C25 C20 C21 C22 0.0 . .
C25' C20 C21 C22 23.1(5) . .
C25 C20 C21 C20' -23.3(5) . .
C25' C20 C21 C20' -0.2(5) . .
C20 C21 C22 C21' 31.5(19) . .
C20' C21 C22 C21' 72.8(18) . .
C20 C21 C22 C20' -41.3(8) . .
C20 C21 C22 O6 -178.9(10) . 4_646
C20' C21 C22 O6 -137.6(13) . 4_646
C20 C21 C22 C23 0.0 . .
C20' C21 C22 C23 41.3(8) . .
C20 C21 C22 O6' 150.9(18) . 4_646
C20' C21 C22 O6' -168(2) . 4_646
C20' C22 C23 C21' -142(3) . .
O6 C22 C23 C21' -30.4(18) 4_646 .
C21 C22 C23 C21' 151(2) . .
O6' C22 C23 C21' -15.6(17) 4_646 .
C21' C22 C23 C20' 142(3) . .
O6 C22 C23 C20' 111.8(17) 4_646 .
C21 C22 C23 C20' -66.9(12) . .
O6' C22 C23 C20' 126.6(15) 4_646 .
C21' C22 C23 C24 -151(2) . .
C20' C22 C23 C24 66.9(12) . .
O6 C22 C23 C24 178.7(12) 4_646 .
C21 C22 C23 C24 0.0 . .
O6' C22 C23 C24 -166.4(8) 4_646 .
C21' C22 C23 C22' -49.2(14) . .
C20' C22 C23 C22' 168.7(17) . .
O6 C22 C23 C22' -79.6(12) 4_646 .
C21 C22 C23 C22' 101.7(10) . .
O6' C22 C23 C22' -64.7(10) 4_646 .
C21' C22 C23 C25' -178(2) . .
C20' C22 C23 C25' 39.6(9) . .
O6 C22 C23 C25' 151.4(13) 4_646 .
C21 C22 C23 C25' -27.3(7) . .
O6' C22 C23 C25' 166.2(11) 4_646 .
C21' C22 C23 C23' -94.4(19) . .
C20' C22 C23 C23' 123.4(14) . .
O6 C22 C23 C23' -124.8(12) 4_646 .
C21 C22 C23 C23' 56.5(8) . .
O6' C22 C23 C23' -110.0(10) 4_646 .
C21' C23 C24 C24' 23(6) . .
C20' C23 C24 C24' 140(5) . .
C22 C23 C24 C24' 92(4) . .
C22' C23 C24 C24' -18(4) . .
C25' C23 C24 C24' 143(5) . .
C23' C23 C24 C24' -21(4) . .
C21' C23 C24 C25' -121(4) . .
C20' C23 C24 C25' -3.6(9) . .
C22 C23 C24 C25' -51.8(12) . .
C22' C23 C24 C25' -161.6(14) . .
C23' C23 C24 C25' -164.3(16) . .
C21' C23 C24 C25 -69(3) . .
C20' C23 C24 C25 48.1(11) . .
C22 C23 C24 C25 0.0 . .
C22' C23 C24 C25 -109.9(10) . .
C25' C23 C24 C25 51.8(12) . .
C23' C23 C24 C25 -112.6(10) . .
C21' C23 C24 C23' 44(3) . .
C20' C23 C24 C23' 160.7(14) . .
C22 C23 C24 C23' 112.6(10) . .
C22' C23 C24 C23' 2.7(6) . .
C25' C23 C24 C23' 164.3(16) . .
C21' C23 C24 C20' -117(4) . .
C22 C23 C24 C20' -48.1(11) . .
C22' C23 C24 C20' -158.0(15) . .
C25' C23 C24 C20' 3.6(9) . .
C23' C23 C24 C20' -160.7(14) . .
C21' C23 C24 C22' 41(3) . .
C20' C23 C24 C22' 158.0(15) . .
C22 C23 C24 C22' 109.9(10) . .
C25' C23 C24 C22' 161.6(14) . .
C23' C23 C24 C22' -2.7(6) . .
C24' C24 C25 C25' 138(3) . .
C23 C24 C25 C25' -67.4(12) . .
C23' C24 C25 C25' -167.5(16) . .
C20' C24 C25 C25' -41.7(9) . .
C22' C24 C25 C25' -121.2(14) . .
C25' C24 C25 C24' -138(3) . .
C23 C24 C25 C24' 155(2) . .
C23' C24 C25 C24' 54.4(15) . .
C20' C24 C25 C24' -180(2) . .
C22' C24 C25 C24' 100.7(19) . .
C24' C24 C25 C20 -155(2) . .
C25' C24 C25 C20 67.4(12) . .
C23 C24 C25 C20 0.0 . .
C23' C24 C25 C20 -100.2(10) . .
C20' C24 C25 C20 25.7(6) . .
C22' C24 C25 C20 -53.8(8) . .
C24' C24 C25 C26 22.7(19) . .
C25' C24 C25 C26 -115.4(17) . .
C23 C24 C25 C26 177.2(11) . .
C23' C24 C25 C26 77.1(13) . .
C20' C24 C25 C26 -157.1(12) . .
C22' C24 C25 C26 123.4(12) . .
C24' C24 C25 C26' 15(2) . .
C25' C24 C25 C26' -122.7(18) . .
C23 C24 C25 C26' 170.0(13) . .
C23' C24 C25 C26' 69.8(14) . .
C20' C24 C25 C26' -164.3(14) . .
C22' C24 C25 C26' 116.2(14) . .
C21 C20 C25 C25' 39.9(7) . .
C21 C20 C25 C24' -23.4(18) . .
C25' C20 C25 C24' -63.3(17) . .
C21 C20 C25 C24 0.0 . .
C25' C20 C25 C24 -39.9(7) . .
C21 C20 C25 C26 -177.3(11) . .
C25' C20 C25 C26 142.8(14) . .
C21 C20 C25 C26' -153(3) . .
C25' C20 C25 C26' 167(3) . .
C21' C23 C20' C22 30(2) . .
C24 C23 C20' C22 -127.2(7) . .
C22' C23 C20' C22 -30(4) . .
C25' C23 C20' C22 -129.7(10) . .
C23' C23 C20' C22 -107.2(15) . .
C24 C23 C20' C21' -157.5(17) . .
C22 C23 C20' C21' -30(2) . .
C22' C23 C20' C21' -60(3) . .
C25' C23 C20' C21' -160.0(14) . .
C23' C23 C20' C21' -138(3) . .
C21' C23 C20' C25' 160.0(14) . .
C24 C23 C20' C25' 2.6(7) . .
C22 C23 C20' C25' 129.7(10) . .
C22' C23 C20' C25' 100(4) . .
C23' C23 C20' C25' 22.5(16) . .
C21' C23 C20' C24 157.5(17) . .
C22 C23 C20' C24 127.2(7) . .
C22' C23 C20' C24 97(4) . .
C25' C23 C20' C24 -2.6(7) . .
C23' C23 C20' C24 20.0(14) . .
C21' C23 C20' C21 68(2) . .
C24 C23 C20' C21 -89.0(9) . .
C22 C23 C20' C21 38.1(6) . .
C22' C23 C20' C21 8(4) . .
C25' C23 C20' C21 -91.6(10) . .
C23' C23 C20' C21 -69.1(19) . .
C21' C22 C20' C23 -21.4(14) . .
O6 C22 C20' C23 -108.4(15) 4_646 .
C21 C22 C20' C23 126.7(8) . .
O6' C22 C20' C23 -59.6(15) 4_646 .
O6 C22 C20' C21' -87.0(14) 4_646 .
C23 C22 C20' C21' 21.4(14) . .
C21 C22 C20' C21' 148.1(10) . .
O6' C22 C20' C21' -38.2(9) 4_646 .
C21' C22 C20' C25' -100.7(11) . .
O6 C22 C20' C25' 172.3(11) 4_646 .
C23 C22 C20' C25' -79.3(11) . .
C21 C22 C20' C25' 47.4(13) . .
O6' C22 C20' C25' -138.9(12) 4_646 .
C21' C22 C20' C24 -65.1(13) . .
O6 C22 C20' C24 -152.2(12) 4_646 .
C23 C22 C20' C24 -43.7(6) . .
C21 C22 C20' C24 83.0(11) . .
O6' C22 C20' C24 -103.3(13) 4_646 .
C21' C22 C20' C21 -148.1(10) . .
O6 C22 C20' C21 124.9(16) 4_646 .
C23 C22 C20' C21 -126.7(8) . .
O6' C22 C20' C21 173.7(11) 4_646 .
C24' C24 C20' C23 -140(5) . .
C25' C24 C20' C23 175.5(12) . .
C25 C24 C20' C23 -139.7(9) . .
C23' C24 C20' C23 -22.8(16) . .
C22' C24 C20' C23 -15.7(11) . .
C24' C24 C20' C22 -82(5) . .
C25' C24 C20' C22 -126.4(14) . .
C23 C24 C20' C22 58.1(11) . .
C25 C24 C20' C22 -81.6(13) . .
C23' C24 C20' C22 35.3(18) . .
C22' C24 C20' C22 42.4(13) . .
C24' C24 C20' C21' -128(5) . .
C25' C24 C20' C21' -172.0(9) . .
C23 C24 C20' C21' 12.6(10) . .
C25 C24 C20' C21' -127.1(7) . .
C23' C24 C20' C21' -10.2(11) . .
C22' C24 C20' C21' -3.2(3) . .
C24' C24 C20' C25' 44(4) . .
C23 C24 C20' C25' -175.5(12) . .
C25 C24 C20' C25' 44.8(12) . .
C23' C24 C20' C25' 161.7(19) . .
C22' C24 C20' C25' 168.8(12) . .
C24' C24 C20' C21 -35(5) . .
C25' C24 C20' C21 -78.9(14) . .
C23 C24 C20' C21 105.6(13) . .
C25 C24 C20' C21 -34.1(7) . .
C23' C24 C20' C21 82.8(13) . .
C22' C24 C20' C21 89.9(9) . .
C20 C21 C20' C23 88.7(12) . .
C22 C21 C20' C23 -56.5(11) . .
C20 C21 C20' C22 145.1(6) . .
C20 C21 C20' C21' 120.5(7) . .
C22 C21 C20' C21' -24.6(9) . .
C20 C21 C20' C25' 0.3(7) . .
C22 C21 C20' C25' -144.8(9) . .
C20 C21 C20' C24 34.0(7) . .
C22 C21 C20' C24 -111.1(11) . .
C20' C23 C21' C22 -30(2) . .
C24 C23 C21' C22 85(3) . .
C22' C23 C21' C22 129.3(11) . .
C25' C23 C21' C22 4(4) . .
C23' C23 C21' C22 118.3(11) . .
C20' C23 C21' C22' -159.6(13) . .
C24 C23 C21' C22' -44(3) . .
C22 C23 C21' C22' -129.3(11) . .
C25' C23 C21' C22' -126(3) . .
C23' C23 C21' C22' -11.0(7) . .
C24 C23 C21' C20' 115(4) . .
C22 C23 C21' C20' 30(2) . .
C22' C23 C21' C20' 159.6(13) . .
C25' C23 C21' C20' 34(2) . .
C23' C23 C21' C20' 149(2) . .
C20' C23 C21' O6' 62(7) . 4_646
C24 C23 C21' O6' 177(4) . 4_646
C22 C23 C21' O6' 93(6) . 4_646
C22' C23 C21' O6' -138(6) . 4_646
C25' C23 C21' O6' 96(7) . 4_646
C23' C23 C21' O6' -149(5) . 4_646
C20' C23 C21' O6 -7(3) . 4_646
C24 C23 C21' O6 108(3) . 4_646
C22 C23 C21' O6 23.2(13) . 4_646
C22' C23 C21' O6 152(2) . 4_646
C25' C23 C21' O6 27(5) . 4_646
C23' C23 C21' O6 141.5(16) . 4_646
C20' C22 C21' C23 26.9(19) . .
O6 C22 C21' C23 156.5(14) 4_646 .
C21 C22 C21' C23 -52(3) . .
O6' C22 C21' C23 160(2) 4_646 .
C20' C22 C21' C22' 101.4(12) . .
O6 C22 C21' C22' -128.9(11) 4_646 .
C23 C22 C21' C22' 74.6(13) . .
C21 C22 C21' C22' 23(3) . .
O6' C22 C21' C22' -125.2(18) 4_646 .
O6 C22 C21' C20' 129.7(12) 4_646 .
C23 C22 C21' C20' -26.9(19) . .
C21 C22 C21' C20' -78.7(18) . .
O6' C22 C21' C20' 133.3(12) 4_646 .
C20' C22 C21' O6' -133.3(12) . 4_646
O6 C22 C21' O6' -3.7(13) 4_646 4_646
C23 C22 C21' O6' -160(2) . 4_646
C21 C22 C21' O6' 148.0(16) . 4_646
C20' C22 C21' O6 -129.7(12) . 4_646
C23 C22 C21' O6 -156.5(14) . 4_646
C21 C22 C21' O6 152(2) . 4_646
O6' C22 C21' O6 3.7(13) 4_646 4_646
C22 C20' C21' C23 -141(3) . .
C25' C20' C21' C23 -23.2(16) . .
C24 C20' C21' C23 -18.0(14) . .
C21 C20' C21' C23 -118(2) . .
C23 C20' C21' C22 141(3) . .
C25' C20' C21' C22 117.5(14) . .
C24 C20' C21' C22 122.7(15) . .
C21 C20' C21' C22 22.8(8) . .
C23 C20' C21' C22' 23.2(16) . .
C22 C20' C21' C22' -117.5(14) . .
C25' C20' C21' C22' 0.0 . .
C24 C20' C21' C22' 5.2(6) . .
C21 C20' C21' C22' -94.7(8) . .
C23 C20' C21' O6' -159(3) . 4_646
C22 C20' C21' O6' 60.4(14) . 4_646
C25' C20' C21' O6' 177.8(16) . 4_646
C24 C20' C21' O6' -176.9(16) . 4_646
C21 C20' C21' O6' 83.1(14) . 4_646
C23 C20' C21' O6 175(2) . 4_646
C22 C20' C21' O6 34.1(9) . 4_646
C25' C20' C21' O6 151.6(10) . 4_646
C24 C20' C21' O6 156.8(11) . 4_646
C21 C20' C21' O6 56.9(7) . 4_646
C23 C21' C22' C23' 16.7(11) . .
C22 C21' C22' C23' -64.1(12) . .
C20' C21' C22' C23' 0.0 . .
O6' C21' C22' C23' -178.0(15) 4_646 .
O6 C21' C22' C23' -130.0(16) 4_646 .
C22 C21' C22' C23 -80.8(16) . .
C20' C21' C22' C23 -16.7(11) . .
O6' C21' C22' C23 165(2) 4_646 .
O6 C21' C22' C23 -147(2) 4_646 .
C23 C21' C22' C24 12.1(9) . .
C22 C21' C22' C24 -68.7(12) . .
C20' C21' C22' C24 -4.6(5) . .
O6' C21' C22' C24 177.4(15) 4_646 .
O6 C21' C22' C24 -134.6(16) 4_646 .
C21' C23 C22' C23' -165.6(10) . .
C20' C23 C22' C23' -100(4) . .
C24 C23 C22' C23' -2.8(7) . .
C22 C23 C22' C23' -124.8(7) . .
C25' C23 C22' C23' -15.8(11) . .
C20' C23 C22' C21' 66(3) . .
C24 C23 C22' C21' 162.8(13) . .
C22 C23 C22' C21' 40.8(12) . .
C25' C23 C22' C21' 150(2) . .
C23' C23 C22' C21' 165.6(10) . .
C21' C23 C22' C24 -162.8(13) . .
C20' C23 C22' C24 -97(4) . .
C22 C23 C22' C24 -122.0(3) . .
C25' C23 C22' C24 -13.0(10) . .
C23' C23 C22' C24 2.8(7) . .
C24' C24 C22' C23' -11.4(12) . .
C25' C24 C22' C23' -159(2) . .
C23 C24 C22' C23' 176.1(9) . .
C25 C24 C22' C23' -83.6(11) . .
C20' C24 C22' C23' -171.1(9) . .
C24' C24 C22' C21' 163.0(17) . .
C25' C24 C22' C21' 15.2(17) . .
C23 C24 C22' C21' -9.5(8) . .
C25 C24 C22' C21' 90.8(8) . .
C23' C24 C22' C21' 174.4(6) . .
C20' C24 C22' C21' 3.3(4) . .
C24' C24 C22' C23 172.5(18) . .
C25' C24 C22' C23 24.8(19) . .
C25 C24 C22' C23 100.3(8) . .
C23' C24 C22' C23 -176.1(9) . .
C20' C24 C22' C23 12.8(9) . .
C21' C22' C23' C24' 0.0 . .
C23 C22' C23' C24' 8.9(6) . .
C24 C22' C23' C24' 6.2(7) . .
C21' C22' C23' C24 -6.2(7) . .
C23 C22' C23' C24 2.7(6) . .
C21' C22' C23' C23 -8.9(6) . .
C24 C22' C23' C23 -2.7(6) . .
C24' C24 C23' C22' 168.8(11) . .
C25' C24 C23' C22' 77(5) . .
C23 C24 C23' C22' -2.8(7) . .
C25 C24 C23' C22' 118.7(7) . .
C20' C24 C23' C22' 10.2(11) . .
C25' C24 C23' C24' -92(6) . .
C23 C24 C23' C24' -171.6(16) . .
C25 C24 C23' C24' -50.2(15) . .
C20' C24 C23' C24' -159(2) . .
C22' C24 C23' C24' -168.8(11) . .
C24' C24 C23' C23 171.6(16) . .
C25' C24 C23' C23 79(5) . .
C25 C24 C23' C23 121.5(3) . .
C20' C24 C23' C23 13.0(9) . .
C22' C24 C23' C23 2.8(7) . .
C21' C23 C23' C22' 14.7(9) . .
C20' C23 C23' C22' 148(2) . .
C24 C23 C23' C22' 176.2(9) . .
C22 C23 C23' C22' 76.2(11) . .
C25' C23 C23' C22' 167.0(9) . .
C21' C23 C23' C24' -157.2(15) . .
C20' C23 C23' C24' -23.5(17) . .
C24 C23 C23' C24' 4.2(8) . .
C22 C23 C23' C24' -95.7(9) . .
C22' C23 C23' C24' -171.9(6) . .
C25' C23 C23' C24' -4.9(3) . .
C21' C23 C23' C24 -161.5(15) . .
C20' C23 C23' C24 -28(2) . .
C22 C23 C23' C24 -100.0(8) . .
C22' C23 C23' C24 -176.2(9) . .
C25' C23 C23' C24 -9.1(9) . .
C25' C24 C24' C25 37(2) . .
C23 C24 C24' C25 -104(4) . .
C23' C24 C24' C25 -126.1(10) . .
C20' C24 C24' C25 1(6) . .
C22' C24 C24' C25 -117.9(11) . .
C25' C24 C24' C23' 163.1(17) . .
C23 C24 C24' C23' 22(4) . .
C25 C24 C24' C23' 126.1(10) . .
C20' C24 C24' C23' 127(5) . .
C22' C24 C24' C23' 8.3(8) . .
C23 C24 C24' C25' -141(5) . .
C25 C24 C24' C25' -37(2) . .
C23' C24 C24' C25' -163.1(17) . .
C20' C24 C24' C25' -36(4) . .
C22' C24 C24' C25' -155(2) . .
C25' C24 C24' C26' -41(9) . .
C23 C24 C24' C26' 178(5) . .
C25 C24 C24' C26' -78(8) . .
C23' C24 C24' C26' 156(8) . .
C20' C24 C24' C26' -77(10) . .
C22' C24 C24' C26' 164(7) . .
C25' C24 C24' C26 17(4) . .
C23 C24 C24' C26 -124(4) . .
C25 C24 C24' C26 -19.7(16) . .
C23' C24 C24' C26 -146(2) . .
C20' C24 C24' C26 -19(7) . .
C22' C24 C24' C26 -137.5(18) . .
C25' C25 C24' C24 -29.5(19) . .
C20 C25 C24' C24 42(3) . .
C26 C25 C24' C24 -160.7(16) . .
C26' C25 C24' C24 -160(3) . .
C25' C25 C24' C23' -104.6(10) . .
C24 C25 C24' C23' -75.1(13) . .
C20 C25 C24' C23' -33(2) . .
C26 C25 C24' C23' 124.2(12) . .
C26' C25 C24' C23' 125(2) . .
C24 C25 C24' C25' 29.5(19) . .
C20 C25 C24' C25' 71.5(17) . .
C26 C25 C24' C25' -131.1(11) . .
C26' C25 C24' C25' -130.7(17) . .
C25' C25 C24' C26' 130.7(17) . .
C24 C25 C24' C26' 160(3) . .
C20 C25 C24' C26' -157.8(19) . .
C26 C25 C24' C26' -0.5(18) . .
C25' C25 C24' C26 131.1(11) . .
C24 C25 C24' C26 160.7(16) . .
C20 C25 C24' C26 -157(2) . .
C26' C25 C24' C26 0.5(18) . .
C22' C23' C24' C24 -12.9(13) . .
C23 C23' C24' C24 -6.1(12) . .
C22' C23' C24' C25 65.2(11) . .
C24 C23' C24' C25 78.1(16) . .
C23 C23' C24' C25 72.0(11) . .
C22' C23' C24' C25' 0.0 . .
C24 C23' C24' C25' 12.9(13) . .
C23 C23' C24' C25' 6.8(5) . .
C22' C23' C24' C26' 176(2) . .
C24 C23' C24' C26' -171(3) . .
C23 C23' C24' C26' -177(2) . .
C22' C23' C24' C26 129.9(15) . .
C24 C23' C24' C26 143(2) . .
C23 C23' C24' C26 136.7(15) . .
C24' C24 C25' C25 -39(3) . .
C23 C24 C25' C25 126.9(7) . .
C23' C24 C25' C25 48(5) . .
C20' C24 C25' C25 124.3(10) . .
C22' C24 C25' C25 109.6(13) . .
C23 C24 C25' C24' 166(2) . .
C25 C24 C25' C24' 39(3) . .
C23' C24 C25' C24' 87(6) . .
C20' C24 C25' C24' 163.4(17) . .
C22' C24 C25' C24' 149(3) . .
C24' C24 C25' C20' -163.4(17) . .
C23 C24 C25' C20' 2.6(7) . .
C25 C24 C25' C20' -124.3(10) . .
C23' C24 C25' C20' -77(5) . .
C22' C24 C25' C20' -14.7(16) . .
C24' C24 C25' C23 -166(2) . .
C25 C24 C25' C23 -126.9(7) . .
C23' C24 C25' C23 -79(5) . .
C20' C24 C25' C23 -2.6(7) . .
C22' C24 C25' C23 -17.3(13) . .
C24' C24 C25' C20 -75(2) . .
C23 C24 C25' C20 91.0(8) . .
C25 C24 C25' C20 -36.0(5) . .
C23' C24 C25' C20 12(6) . .
C20' C24 C25' C20 88.3(10) . .
C22' C24 C25' C20 73.6(17) . .
C24' C25 C25' C24 21.6(13) . .
C20 C25 C25' C24 -126.3(8) . .
C26 C25 C25' C24 96.6(17) . .
C26' C25 C25' C24 58.8(16) . .
C24 C25 C25' C24' -21.6(13) . .
C20 C25 C25' C24' -147.8(9) . .
C26 C25 C25' C24' 75.0(14) . .
C26' C25 C25' C24' 37.3(12) . .
C24' C25 C25' C20' 106.1(9) . .
C24 C25 C25' C20' 84.6(10) . .
C20 C25 C25' C20' -41.7(12) . .
C26 C25 C25' C20' -178.8(12) . .
C26' C25 C25' C20' 143.4(14) . .
C24' C25 C25' C23 66.8(12) . .
C24 C25 C25' C23 45.2(6) . .
C20 C25 C25' C23 -81.0(11) . .
C26 C25 C25' C23 141.8(14) . .
C26' C25 C25' C23 104.1(16) . .
C24' C25 C25' C20 147.8(9) . .
C24 C25 C25' C20 126.3(8) . .
C26 C25 C25' C20 -137.1(17) . .
C26' C25 C25' C20 -174.9(13) . .
C25 C24' C25' C24 -132(3) . .
C23' C24' C25' C24 -19(2) . .
C26' C24' C25' C24 164(4) . .
C26 C24' C25' C24 -167(3) . .
C24 C24' C25' C25 132(3) . .
C23' C24' C25' C25 113.1(12) . .
C26' C24' C25' C25 -63(2) . .
C26 C24' C25' C25 -34.8(8) . .
C24 C24' C25' C20' 19(2) . .
C25 C24' C25' C20' -113.1(12) . .
C23' C24' C25' C20' 0.0 . .
C26' C24' C25' C20' -176(2) . .
C26 C24' C25' C20' -147.9(11) . .
C24 C24' C25' C23 11.6(18) . .
C25 C24' C25' C23 -120.8(14) . .
C23' C24' C25' C23 -7.7(6) . .
C26' C24' C25' C23 176(2) . .
C26 C24' C25' C23 -155.6(12) . .
C24 C24' C25' C20 110(2) . .
C25 C24' C25' C20 -22.1(7) . .
C23' C24' C25' C20 91.0(8) . .
C26' C24' C25' C20 -85(2) . .
C26 C24' C25' C20 -56.9(8) . .
C23 C20' C25' C24 -3.6(9) . .
C22 C20' C25' C24 72.3(16) . .
C21' C20' C25' C24 9.3(10) . .
C21 C20' C25' C24 104.8(13) . .
C23 C20' C25' C25 -80.7(15) . .
C22 C20' C25' C25 -4.9(19) . .
C21' C20' C25' C25 -67.8(13) . .
C24 C20' C25' C25 -77.1(15) . .
C21 C20' C25' C25 27.7(13) . .
C23 C20' C25' C24' -12.9(9) . .
C22 C20' C25' C24' 63.0(13) . .
C21' C20' C25' C24' 0.0 . .
C24 C20' C25' C24' -9.3(10) . .
C21 C20' C25' C24' 95.5(8) . .
C22 C20' C25' C23 75.9(15) . .
C21' C20' C25' C23 12.9(9) . .
C24 C20' C25' C23 3.6(9) . .
C21 C20' C25' C23 108.4(13) . .
C23 C20' C25' C20 -108.7(13) . .
C22 C20' C25' C20 -32.8(13) . .
C21' C20' C25' C20 -95.7(8) . .
C24 C20' C25' C20 -105.0(14) . .
C21 C20' C25' C20 -0.2(5) . .
C21' C23 C25' C24 134(3) . .
C20' C23 C25' C24 175.6(11) . .
C22 C23 C25' C24 136.9(9) . .
C22' C23 C25' C24 22.6(17) . .
C23' C23 C25' C24 11.5(12) . .
C21' C23 C25' C25 77(4) . .
C20' C23 C25' C25 118.3(14) . .
C24 C23 C25' C25 -57.3(11) . .
C22 C23 C25' C25 79.6(13) . .
C22' C23 C25' C25 -34.7(19) . .
C23' C23 C25' C25 -45.8(14) . .
C21' C23 C25' C24' 127(3) . .
C20' C23 C25' C24' 168.8(8) . .
C24 C23 C25' C24' -6.8(11) . .
C22 C23 C25' C24' 130.1(7) . .
C22' C23 C25' C24' 15.8(11) . .
C23' C23 C25' C24' 4.7(3) . .
C21' C23 C25' C20' -42(3) . .
C24 C23 C25' C20' -175.6(11) . .
C22 C23 C25' C20' -38.7(11) . .
C22' C23 C25' C20' -152.9(18) . .
C23' C23 C25' C20' -164.1(11) . .
C21' C23 C25' C20 32(4) . .
C20' C23 C25' C20 73.6(13) . .
C24 C23 C25' C20 -102.0(13) . .
C22 C23 C25' C20 34.9(7) . .
C22' C23 C25' C20 -79.4(14) . .
C23' C23 C25' C20 -90.5(9) . .
C21 C20 C25' C24 -91.4(12) . .
C25 C20 C25' C24 54.8(11) . .
C21 C20 C25' C25 -146.2(6) . .
C21 C20 C25' C24' -119.7(7) . .
C25 C20 C25' C24' 26.6(9) . .
C21 C20 C25' C20' 0.3(6) . .
C25 C20 C25' C20' 146.5(9) . .
C21 C20 C25' C23 -34.7(8) . .
C25 C20 C25' C23 111.5(11) . .
C24 C24' C26' O4 31(21) . .
C25 C24' C26' O4 -47(16) . .
C23' C24' C26' O4 -177(15) . .
C25' C24' C26' O4 0(17) . .
C26 C24' C26' O4 -47(15) . .
C24 C24' C26' O5' 51(9) . .
C25 C24' C26' O5' -27(3) . .
C23' C24' C26' O5' -157(2) . .
C25' C24' C26' O5' 20(4) . .
C26 C24' C26' O5' -27.4(19) . .
C24 C24' C26' O4' -124(7) . .
C25 C24' C26' O4' 159(3) . .
C23' C24' C26' O4' 29(4) . .
C25' C24' C26' O4' -155(3) . .
C26 C24' C26' O4' 158(5) . .
C24 C24' C26' C26 78(8) . .
C25 C24' C26' C26 1(2) . .
C23' C24' C26' C26 -129.3(18) . .
C25' C24' C26' C26 47(3) . .
C24 C24' C26' C25 77(7) . .
C23' C24' C26' C25 -129.9(18) . .
C25' C24' C26' C25 46.4(13) . .
C26 C24' C26' C25 -1(2) . .
C25' C25 C26' O4 116(5) . .
C24' C25 C26' O4 163(6) . .
C24 C25 C26' O4 152(6) . .
C20 C25 C26' O4 -51(8) . .
C26 C25 C26' O4 -18(4) . .
C25' C25 C26' O5' 109.2(19) . .
C24' C25 C26' O5' 156(3) . .
C24 C25 C26' O5' 146.0(19) . .
C20 C25 C26' O5' -57(4) . .
C26 C25 C26' O5' -24.6(14) . .
C25' C25 C26' O4' -98(7) . .
C24' C25 C26' O4' -51(7) . .
C24 C25 C26' O4' -62(7) . .
C20 C25 C26' O4' 95(7) . .
C26 C25 C26' O4' 128(8) . .
C25' C25 C26' C26 133.8(18) . .
C24' C25 C26' C26 -179(3) . .
C24 C25 C26' C26 170.5(18) . .
C20 C25 C26' C26 -33(4) . .
C25' C25 C26' C24' -46.9(15) . .
C24 C25 C26' C24' -10.2(14) . .
C20 C25 C26' C24' 146(3) . .
C26 C25 C26' C24' 179(3) . .
O4 C26' C26 O5' 27(3) . .
O4' C26' C26 O5' 71(5) . .
C24' C26' C26 O5' -139(3) . .
C25 C26' C26 O5' -138(2) . .
O4 C26' C26 O5 -16(7) . .
O5' C26' C26 O5 -43(5) . .
O4' C26' C26 O5 27(9) . .
C24' C26' C26 O5 178(4) . .
C25 C26' C26 O5 179(5) . .
O5' C26' C26 O4 -27(3) . .
O4' C26' C26 O4 44(3) . .
C24' C26' C26 O4 -165(5) . .
C25 C26' C26 O4 -165(4) . .
O4 C26' C26 C25 165(4) . .
O5' C26' C26 C25 138(2) . .
O4' C26' C26 C25 -151(5) . .
C24' C26' C26 C25 -0.5(17) . .
O4 C26' C26 C24' 165(5) . .
O5' C26' C26 C24' 139(3) . .
O4' C26' C26 C24' -151(6) . .
C25 C26' C26 C24' 0.5(17) . .
C25' C25 C26 O5' -13(4) . .
C24' C25 C26 O5' 51(3) . .
C24 C25 C26 O5' 40(3) . .
C20 C25 C26 O5' -143(3) . .
C26' C25 C26 O5' 51(3) . .
C25' C25 C26 O5 116.8(19) . .
C24' C25 C26 O5 -178.7(17) . .
C24 C25 C26 O5 169.9(13) . .
C20 C25 C26 O5 -13(2) . .
C26' C25 C26 O5 -179(3) . .
C25' C25 C26 C26' -64(2) . .
C24' C25 C26 C26' 1(2) . .
C24 C25 C26 C26' -11(2) . .
C20 C25 C26 C26' 166.4(18) . .
C25' C25 C26 O4 -56(2) . .
C24' C25 C26 O4 8.3(17) . .
C24 C25 C26 O4 -3.1(18) . .
C20 C25 C26 O4 174.1(11) . .
C26' C25 C26 O4 8(2) . .
C25' C25 C26 C24' -64.5(14) . .
C24 C25 C26 C24' -11.5(10) . .
C20 C25 C26 C24' 165.8(14) . .
C26' C25 C26 C24' -1(2) . .
C24 C24' C26 O5' -116(3) . .
C25 C24' C26 O5' -142(2) . .
C23' C24' C26 O5' 117(2) . .
C25' C24' C26 O5' -105(2) . .
C26' C24' C26 O5' 37(3) . .
C24 C24' C26 O5 30(6) . .
C25 C24' C26 O5 3(4) . .
C23' C24' C26 O5 -97(4) . .
C25' C24' C26 O5 41(4) . .
C26' C24' C26 O5 -177(5) . .
C24 C24' C26 C26' -153(4) . .
C25 C24' C26 C26' -179(3) . .
C23' C24' C26 C26' 80(3) . .
C25' C24' C26 C26' -142(2) . .
C24 C24' C26 O4 -146(3) . .
C25 C24' C26 O4 -172.3(16) . .
C23' C24' C26 O4 87.1(16) . .
C25' C24' C26 O4 -134.6(11) . .
C26' C24' C26 O4 7(2) . .
C24 C24' C26 C25 26(2) . .
C23' C24' C26 C25 -100.6(16) . .
C25' C24' C26 C25 37.7(10) . .
C26' C24' C26 C25 179(3) . .
C15 C14 N1 C18 1.4(15) . .
C15 C14 N1 Cd1 177.5(8) . .
C17 C18 N1 C14 -2.1(12) . .
C17 C18 N1 Cd1 -178.1(6) . .
C9 C8 N2 C12 -1.8(12) . .
C9 C8 N2 Cd1 177.2(7) . .
C11 C12 N2 C8 1.3(11) . .
C11 C12 N2 Cd1 -177.7(5) . .
O2 C1 O1 Cd1 -2.8(7) . .
C2 C1 O1 Cd1 175.2(6) . .
O1 C1 O2 Cd1 2.7(7) . .
C2 C1 O2 Cd1 -175.3(6) . .
C4 C5 O3 C13 0.1(16) . 2_645
C6 C5 O3 C13 -179.5(13) . 2_645
O4' C26' O4 O5' -176(2) . .
C26 C26' O4 O5' -23(3) . .
C24' C26' O4 O5' 26(17) . .
C25 C26' O4 O5' -9(6) . .
O5' C26' O4 O4' 176(2) . .
C26 C26' O4 O4' 153(2) . .
C24' C26' O4 O4' -158(16) . .
C25 C26' O4 O4' 167(5) . .
O5' C26' O4 C26 23(3) . .
O4' C26' O4 C26 -153(2) . .
C24' C26' O4 C26 49(15) . .
C25 C26' O4 C26 14(3) . .
O5' C26' O4 Cd1 100(12) . .
O4' C26' O4 Cd1 -77(12) . .
C26 C26' O4 Cd1 76(12) . .
C24' C26' O4 Cd1 125(13) . .
C25 C26' O4 Cd1 90(12) . .
O5' C26 O4 C26' -140(5) . .
O5 C26 O4 C26' 171(4) . .
C25 C26 O4 C26' -17(4) . .
C24' C26 O4 C26' -11(4) . .
O5 C26 O4 O5' -49(3) . .
C26' C26 O4 O5' 140(5) . .
C25 C26 O4 O5' 124(3) . .
C24' C26 O4 O5' 129(3) . .
O5' C26 O4 O4' 177(4) . .
O5 C26 O4 O4' 128(3) . .
C26' C26 O4 O4' -43(4) . .
C25 C26 O4 O4' -60(3) . .
C24' C26 O4 O4' -54(3) . .
O5' C26 O4 Cd1 60(2) . .
O5 C26 O4 Cd1 10.9(19) . .
C26' C26 O4 Cd1 -160(4) . .
C25 C26 O4 Cd1 -176.3(10) . .
C24' C26 O4 Cd1 -170.9(8) . .
C26' C26 O5 O5' 38(4) . .
O4 C26 O5 O5' 28.4(16) . .
C25 C26 O5 O5' -144(3) . .
C24' C26 O5 O5' -146(6) . .
O5' C26 O5 Cd1 -37.7(19) . .
C26' C26 O5 Cd1 0(5) . .
O4 C26 O5 Cd1 -9.3(16) . .
C25 C26 O5 Cd1 178.3(14) . .
C24' C26 O5 Cd1 176(4) . .
C19 C19' O6 O6' 9(2) . .
C15 C19' O6 O6' 76.6(18) . .
C19 C19' O6 C22 81(3) . 4_656
O6' C19' O6 C22 72(2) . 4_656
C15 C19' O6 C22 148.7(19) . 4_656
O6' C19' O6 C19 -9(2) . .
C15 C19' O6 C19 68(2) . .
C19 C19' O6 C21' 47(3) . 4_656
O6' C19' O6 C21' 38.7(17) . 4_656
C15 C19' O6 C21' 115(2) . 4_656
O6' C19 O6 C19' 166(3) . .
C15 C19 O6 C19' -65(2) . .
C19' C19 O6 O6' -166(3) . .
C15 C19 O6 O6' 129(2) . .
O6' C19 O6 C22 43.9(19) . 4_656
C19' C19 O6 C22 -122(2) . 4_656
C15 C19 O6 C22 172.5(9) . 4_656
O6' C19 O6 C21' 31.6(17) . 4_656
C19' C19 O6 C21' -135(3) . 4_656
C15 C19 O6 C21' 160.3(13) . 4_656
C26' O4 Cd1 O5' -104(13) . .
O4' O4 Cd1 O5' -176(2) . .
C26 O4 Cd1 O5' -32.1(15) . .
C26' O4 Cd1 N1 -4(13) . .
O5' O4 Cd1 N1 100.2(16) . .
O4' O4 Cd1 N1 -75.8(12) . .
C26 O4 Cd1 N1 68.1(11) . .
C26' O4 Cd1 N2 160(13) . .
O5' O4 Cd1 N2 -96.1(16) . .
O4' O4 Cd1 N2 87.8(12) . .
C26 O4 Cd1 N2 -128.2(10) . .
C26' O4 Cd1 O1 -109(13) . .
O5' O4 Cd1 O1 -5.5(17) . .
O4' O4 Cd1 O1 178.4(11) . .
C26 O4 Cd1 O1 -37.6(11) . .
C26' O4 Cd1 O1W 77(13) . .
O5' O4 Cd1 O1W -179.4(16) . .
O4' O4 Cd1 O1W 4.6(12) . .
C26 O4 Cd1 O1W 148.5(10) . .
C26' O4 Cd1 O5 -77(13) . .
O5' O4 Cd1 O5 27.0(15) . .
O4' O4 Cd1 O5 -149.1(14) . .
C26 O4 Cd1 O5 -5.1(9) . .
C14 N1 Cd1 O4 9.6(8) . .
C18 N1 Cd1 O4 -174.6(7) . .
C14 N1 Cd1 O5' 30.7(9) . .
C18 N1 Cd1 O5' -153.5(8) . .
C14 N1 Cd1 N2 -106.9(9) . .
C18 N1 Cd1 N2 68.9(9) . .
C14 N1 Cd1 O1 131.1(7) . .
C18 N1 Cd1 O1 -53.1(6) . .
C14 N1 Cd1 O1W -79.9(7) . .
C18 N1 Cd1 O1W 95.9(6) . .
C14 N1 Cd1 O2 -176.6(7) . .
C18 N1 Cd1 O2 -0.8(6) . .
C14 N1 Cd1 O5 59.6(7) . .
C18 N1 Cd1 O5 -124.6(7) . .
C8 N2 Cd1 O4 5.4(7) . .
C12 N2 Cd1 O4 -175.7(6) . .
C8 N2 Cd1 O5' -15.8(8) . .
C12 N2 Cd1 O5' 163.2(7) . .
C8 N2 Cd1 N1 122.2(7) . .
C12 N2 Cd1 N1 -58.9(9) . .
C8 N2 Cd1 O1 -114.2(6) . .
C12 N2 Cd1 O1 64.7(5) . .
C8 N2 Cd1 O1W 95.4(6) . .
C12 N2 Cd1 O1W -85.7(5) . .
C8 N2 Cd1 O2 -167.7(6) . .
C12 N2 Cd1 O2 11.2(5) . .
C8 N2 Cd1 O5 -42.8(7) . .
C12 N2 Cd1 O5 136.1(6) . .
C1 O1 Cd1 O4 -176.9(5) . .
C1 O1 Cd1 O5' -178.9(6) . .
C1 O1 Cd1 N1 80.8(4) . .
C1 O1 Cd1 N2 -83.8(4) . .
C1 O1 Cd1 O1W -9.0(7) . .
C1 O1 Cd1 O2 1.5(4) . .
C1 O1 Cd1 O5 157.0(5) . .
C1 O2 Cd1 O5' -2.2(11) . .
C1 O2 Cd1 N1 -106.7(4) . .
C1 O2 Cd1 N2 90.5(4) . .
C1 O2 Cd1 O1 -1.5(4) . .
C1 O2 Cd1 O1W 173.2(4) . .
C1 O2 Cd1 O5 -29.8(5) . .
C26 O5 Cd1 O4 5.6(10) . .
O5' O5 Cd1 O4 -17.0(9) . .
C26 O5 Cd1 O5' 22.6(12) . .
C26 O5 Cd1 N1 -98.9(10) . .
O5' O5 Cd1 N1 -121.5(9) . .
C26 O5 Cd1 N2 76.4(10) . .
O5' O5 Cd1 N2 53.8(9) . .
C26 O5 Cd1 O1 156.5(10) . .
O5' O5 Cd1 O1 133.9(9) . .
C26 O5 Cd1 O1W -33.5(12) . .
O5' O5 Cd1 O1W -56.1(10) . .
C26 O5 Cd1 O2 179.9(9) . .
O5' O5 Cd1 O2 157.3(8) . .
C19' C19 O6' O6 10(2) . .
C15 C19 O6' O6 -80(2) . .
O6 C19 O6' C19' -10(2) . .
C15 C19 O6' C19' -90(3) . .
C19' C19 O6' C21' -64(5) . 4_656
O6 C19 O6' C21' -74(4) . 4_656
C15 C19 O6' C21' -154(4) . 4_656
C19' C19 O6' C22 -22(3) . 4_656
O6 C19 O6' C22 -32.3(17) . 4_656
C15 C19 O6' C22 -113(2) . 4_656
C19' O6 O6' C19 -9(2) . .
C22 O6 O6' C19 -140.8(18) 4_656 .
C21' O6 O6' C19 -138(2) 4_656 .
C22 O6 O6' C19' -132.1(17) 4_656 .
C19 O6 O6' C19' 9(2) . .
C21' O6 O6' C19' -129.0(17) 4_656 .
C19' O6 O6' C21' 129.0(17) . 4_656
C22 O6 O6' C21' -3.2(13) 4_656 4_656
C19 O6 O6' C21' 138(2) . 4_656
C19' O6 O6' C22 132.1(17) . 4_656
C19 O6 O6' C22 140.8(18) . 4_656
C21' O6 O6' C22 3.2(13) 4_656 4_656
O6 C19' O6' C19 166(3) . .
C15 C19' O6' C19 47(2) . .
C19 C19' O6' O6 -166(3) . .
C15 C19' O6' O6 -118.7(17) . .
C19 C19' O6' C21' 137(4) . 4_656
O6 C19' O6' C21' -57(3) . 4_656
C15 C19' O6' C21' -176(2) . 4_656
C19 C19' O6' C22 160(3) . 4_656
O6 C19' O6' C22 -34.1(15) . 4_656
C15 C19' O6' C22 -152.9(14) . 4_656
C26 O4 O4' C26' 43(4) . .
Cd1 O4 O4' C26' 160(4) . .
O5' C26' O4' O4 -3.1(19) . .
C26 C26' O4' O4 -44(3) . .
C24' C26' O4' O4 171(6) . .
C25 C26' O4' O4 -152(10) . .
O5 C26 O5' O4 141(2) . .
C26' C26 O5' O4 -20(2) . .
C25 C26 O5' O4 -81(3) . .
C24' C26 O5' O4 -51(2) . .
O5 C26 O5' C26' 160.5(19) . .
O4 C26 O5' C26' 20(2) . .
C25 C26 O5' C26' -61(3) . .
C24' C26 O5' C26' -30.8(19) . .
C26' C26 O5' O5 -160.5(19) . .
O4 C26 O5' O5 -141(2) . .
C25 C26 O5' O5 139(3) . .
C24' C26 O5' O5 168.7(18) . .
O5 C26 O5' Cd1 56(2) . .
C26' C26 O5' Cd1 -105(2) . .
O4 C26 O5' Cd1 -85(3) . .
C25 C26 O5' Cd1 -165.7(13) . .
C24' C26 O5' Cd1 -135.7(14) . .
C26' O4 O5' C26 39(5) . .
Cd1 O4 O5' C26 -120(2) . .
C26 O4 O5' C26' -39(5) . .
Cd1 O4 O5' C26' -159(4) . .
C26' O4 O5' O5 88(5) . .
C26 O4 O5' O5 48(2) . .
Cd1 O4 O5' O5 -72(3) . .
C26' O4 O5' Cd1 159(4) . .
C26 O4 O5' Cd1 120(2) . .
O4 C26' O5' C26 -141(5) . .
O4' C26' O5' C26 -137(4) . .
C24' C26' O5' C26 48(3) . .
C25 C26' O5' C26 31.3(16) . .
O4' C26' O5' O4 4(3) . .
C26 C26' O5' O4 141(5) . .
C24' C26' O5' O4 -171(6) . .
C25 C26' O5' O4 172(5) . .
O4 C26' O5' O5 -121(4) . .
O4' C26' O5' O5 -117(3) . .
C26 C26' O5' O5 19.6(18) . .
C24' C26' O5' O5 68(4) . .
C25 C26' O5' O5 51(2) . .
O4 C26' O5' Cd1 -21(4) . .
O4' C26' O5' Cd1 -17(4) . .
C26 C26' O5' Cd1 119.7(19) . .
C24' C26' O5' Cd1 168(2) . .
C25 C26' O5' Cd1 151.0(9) . .
Cd1 O5 O5' C26 135(2) . .
C26 O5 O5' O4 -66(3) . .
Cd1 O5 O5' O4 69(3) . .
C26 O5 O5' C26' -25(2) . .
Cd1 O5 O5' C26' 110(2) . .
C26 O5 O5' Cd1 -135(2) . .
O4 Cd1 O5' C26 100(3) . .
N1 Cd1 O5' C26 17(3) . .
N2 Cd1 O5' C26 -175(3) . .
O1 Cd1 O5' C26 -85(3) . .
O1W Cd1 O5' C26 100(3) . .
O2 Cd1 O5' C26 -85(3) . .
O5 Cd1 O5' C26 -41(2) . .
N1 Cd1 O5' O4 -82.3(16) . .
N2 Cd1 O5' O4 85.5(16) . .
O1 Cd1 O5' O4 175.1(15) . .
O1W Cd1 O5' O4 0.7(17) . .
O2 Cd1 O5' O4 175.7(11) . .
O5 Cd1 O5' O4 -140(2) . .
O4 Cd1 O5' C26' 11(2) . .
N1 Cd1 O5' C26' -71(2) . .
N2 Cd1 O5' C26' 97(2) . .
O1 Cd1 O5' C26' -174(2) . .
O1W Cd1 O5' C26' 12(2) . .
O2 Cd1 O5' C26' -173.0(19) . .
O5 Cd1 O5' C26' -129(2) . .
O4 Cd1 O5' O5 140(2) . .
N1 Cd1 O5' O5 58.1(8) . .
N2 Cd1 O5' O5 -134.1(8) . .
O1 Cd1 O5' O5 -44.5(8) . .
O1W Cd1 O5' O5 141.1(7) . .
O2 Cd1 O5' O5 -43.9(14) . .
