#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:29:25 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179450 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/47/4334720.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_4334720
loop_
_publ_author_name
'Tatsunari Inoue'
'Katsunori Yamanishi'
'Mitsuru Kondo'
_publ_section_title
;
 Solvent-Soluble Coordination Polymer That Reconstructs Cyclic Frameworks
 That Trap a Kinetically Labile [Cu(CO3)2]2- Unit
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4765
_journal_page_last               4767
_journal_paper_doi               10.1021/ic400315g
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C101 H156 Cu5 N16 O19'
_chemical_formula_sum            'C101 H156 Cu5 N16 O19'
_chemical_formula_weight         2216.17
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 123.2620(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   22.7939(11)
_cell_length_b                   23.1636(9)
_cell_length_c                   15.0358(7)
_cell_measurement_reflns_used    8749
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.19
_cell_volume                     6638.1(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       w/
_diffrn_radiation_type           'Mo Ka/'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            45463
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.846
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.109
_exptl_crystal_description       block
_exptl_crystal_F_000             2342.00
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.190
_refine_diff_density_max         0.990
_refine_diff_density_min         -0.720
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     624
_refine_ls_number_reflns         6579
_refine_ls_number_restraints     967
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[?²(Fo²)+(0.0689P)²+24.1579P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1517
_reflns_number_gt                6096
_reflns_number_total             6579
_reflns_threshold_expression     F²>2.0s/(F²)
_cod_data_source_file            ic400315g_si_004.cif
_cod_data_source_block           2b
_cod_original_cell_volume        6638.1(6)
_cod_database_code               4334720
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,-Z
3 -X,-Y,-Z
4 +X,-Y,+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.15472(3) 0.0000 0.27603(4) 0.03481(16) Uani 1.0 4 d .
Cu2 Cu 0.01415(3) 0.0000 0.25600(4) 0.03277(15) Uani 1.0 4 d .
Cu3 Cu 0.0000 0.0000 0.0000 0.03330(18) Uani 1.0 2 d .
O1 O 0.10148(16) 0.0000 0.0958(2) 0.0455(8) Uani 1.0 4 d .
O2 O 0.04700(16) 0.0000 -0.0751(2) 0.0441(8) Uani 1.0 4 d .
O3 O 0.16484(18) 0.0000 0.0223(3) 0.0539(9) Uani 1.0 4 d .
O4 O 0.08773(11) 0.05214(9) 0.27605(17) 0.0391(5) Uani 1.0 8 d .
O5 O 0.1653(12) -0.0400(6) 0.4963(11) 0.095(6) Uani 0.2500 8 d .
O6 O 0.1738(7) 0.0000 0.6407(7) 0.103(4) Uani 0.5000 4 d .
O7 O 0.1538(11) 0.0569(5) 0.5035(11) 0.062(4) Uani 0.2500 8 d .
O8 O 0.5373(9) 0.0214(7) 0.5265(15) 0.130(5) Uani 0.2500 8 d .
O9A O 0.1614(6) 0.2110(5) -0.4031(7) 0.144(4) Uani 0.5000 8 d .
O10B O -0.0370(8) 0.2838(9) -0.6843(17) 0.145(6) Uani 0.2500 8 d .
O11B O 0.0590(14) 0.2918(13) -0.7175(17) 0.186(8) Uani 0.2500 8 d .
O12 O 0.435(5) 0.0000 0.698(6) 0.26(3) Uiso 0.2000 4 d .
O13 O 0.006(7) 0.371(4) -0.961(8) 0.28(3) Uiso 0.1500 8 d .
N1 N 0.22572(14) 0.06047(13) 0.3128(2) 0.0469(7) Uani 1.0 8 d .
N2A N 0.3016(5) 0.1151(4) 0.3057(9) 0.059(3) Uani 0.5000 8 d .
N3 N 0.03817(15) 0.06168(13) -0.2749(2) 0.0460(7) Uani 1.0 8 d .
N4A N 0.1056(4) 0.1366(3) -0.2460(8) 0.062(3) Uani 0.5000 8 d .
N5B N 0.2940(5) 0.1251(4) 0.3068(8) 0.057(3) Uani 0.5000 8 d .
N6B N 0.1232(4) 0.1205(4) -0.2420(8) 0.066(3) Uani 0.5000 8 d .
C1A C 0.2451(9) 0.0809(9) 0.2504(8) 0.052(4) Uani 0.5000 8 d .
C2A C 0.3183(5) 0.1167(5) 0.4080(8) 0.059(3) Uani 0.5000 8 d .
C3A C 0.2727(7) 0.0825(7) 0.4131(6) 0.053(3) Uani 0.5000 8 d .
C4A C 0.3389(6) 0.1460(6) 0.2666(8) 0.072(3) Uani 0.5000 8 d .
C5A C 0.2919(5) 0.1542(4) 0.1476(7) 0.073(4) Uani 0.5000 8 d .
C6A C 0.3080(5) 0.1253(5) 0.0824(6) 0.081(4) Uani 0.5000 8 d .
C7A C 0.2657(6) 0.1330(6) -0.0277(6) 0.076(3) Uani 0.5000 8 d .
C8A C 0.2077(6) 0.1692(6) -0.0719(6) 0.073(3) Uani 0.5000 8 d .
C9A C 0.1904(7) 0.1962(7) -0.0066(6) 0.075(3) Uani 0.5000 8 d .
C10A C 0.2329(7) 0.1895(8) 0.1034(6) 0.069(3) Uani 0.5000 8 d .
C11A C 0.3697(9) 0.0835(8) 0.1304(9) 0.117(5) Uani 0.5000 8 d .
C12A C 0.2822(7) 0.1004(6) -0.0985(8) 0.096(4) Uani 0.5000 8 d .
C13A C 0.1247(8) 0.2323(7) -0.0563(9) 0.094(5) Uani 0.5000 8 d .
C14A C 0.2141(8) 0.2207(8) 0.1730(9) 0.077(4) Uani 0.5000 8 d .
C15A C 0.1627(5) 0.1798(4) -0.1915(7) 0.073(3) Uani 0.5000 8 d .
C16A C 0.0935(6) 0.0918(5) -0.2019(7) 0.055(4) Uani 0.5000 8 d .
C17A C 0.0538(7) 0.1359(6) -0.3525(9) 0.067(4) Uani 0.5000 8 d .
C18A C 0.0144(9) 0.0883(8) -0.3710(7) 0.062(5) Uani 0.5000 8 d .
C19 C 0.1095(2) 0.0000 0.0146(3) 0.0384(10) Uani 1.0 4 d .
C20 C 0.0823(3) 0.11283(16) 0.2581(4) 0.0564(10) Uani 1.0 8 d .
C21 C 0.0474(3) 0.1284(2) 0.1451(4) 0.0724(12) Uani 1.0 8 d .
C22 C 0.1634(6) 0.0054(5) 0.5453(6) 0.060(3) Uani 0.2500 8 d .
C23B C 0.2480(9) 0.0822(8) 0.2548(8) 0.055(4) Uani 0.5000 8 d .
C24B C 0.3021(6) 0.1302(5) 0.4036(8) 0.058(3) Uani 0.5000 8 d .
C25B C 0.2581(7) 0.0926(6) 0.4057(7) 0.058(4) Uani 0.5000 8 d .
C26B C 0.3303(6) 0.1601(6) 0.2700(8) 0.071(3) Uani 0.5000 8 d .
C27B C 0.2940(5) 0.1563(4) 0.1507(7) 0.072(4) Uani 0.5000 8 d .
C28B C 0.3199(5) 0.1216(5) 0.1042(6) 0.076(3) Uani 0.5000 8 d .
C29B C 0.2846(6) 0.1190(6) -0.0063(6) 0.080(3) Uani 0.5000 8 d .
C30B C 0.2250(6) 0.1527(6) -0.0689(6) 0.075(3) Uani 0.5000 8 d .
C31B C 0.1981(7) 0.1862(8) -0.0232(7) 0.081(4) Uani 0.5000 8 d .
C32B C 0.2331(8) 0.1885(8) 0.0875(7) 0.076(3) Uani 0.5000 8 d .
C33B C 0.3855(8) 0.0851(8) 0.1730(10) 0.124(6) Uani 0.5000 8 d .
C34B C 0.3111(8) 0.0805(8) -0.0590(9) 0.124(6) Uani 0.5000 8 d .
C35B C 0.1309(7) 0.2195(7) -0.0906(10) 0.102(5) Uani 0.5000 8 d .
C36B C 0.2024(8) 0.2247(8) 0.1367(10) 0.096(5) Uani 0.5000 8 d .
C37B C 0.1901(5) 0.1525(5) -0.1883(7) 0.085(3) Uani 0.5000 8 d .
C38B C 0.1026(5) 0.0796(6) -0.2023(6) 0.055(3) Uani 0.5000 8 d .
C39B C 0.0702(6) 0.1275(6) -0.3470(8) 0.063(3) Uani 0.5000 8 d .
C40B C 0.0170(8) 0.0926(8) -0.3661(7) 0.058(4) Uani 0.5000 8 d .
C41 C 0.4956(15) 0.0678(9) 0.533(2) 0.134(6) Uani 0.2500 8 d .
C42 C 0.504(3) 0.1236(9) 0.487(5) 0.135(7) Uani 0.2500 8 d .
C43 C 0.4931(10) -0.0172(9) 0.4368(18) 0.112(5) Uani 0.2500 8 d .
C44 C 0.5356(12) -0.0643(8) 0.4288(18) 0.086(4) Uani 0.2500 8 d .
C45A C 0.2043(8) 0.1947(7) -0.4438(10) 0.143(4) Uani 0.5000 8 d .
C46A C 0.2720(8) 0.1665(8) -0.3630(11) 0.151(5) Uani 0.5000 8 d .
C47A C 0.1317(8) 0.2677(6) -0.4441(15) 0.189(5) Uani 0.5000 8 d .
C48A C 0.0540(7) 0.2650(7) -0.5075(11) 0.132(4) Uani 0.5000 8 d .
C49B C 0.0295(9) 0.2792(9) -0.5857(14) 0.143(5) Uani 0.5000 8 d .
C50B C 0.0863(7) 0.2764(8) -0.6089(15) 0.147(5) Uani 0.5000 8 d .
C51 C 0.383(4) 0.0000 0.723(8) 0.27(3) Uiso 0.2000 4 d .
C52 C 0.418(7) 0.0000 0.843(9) 0.27(3) Uiso 0.2000 4 d .
C53 C -0.004(9) 0.411(4) -1.040(7) 0.25(4) Uiso 0.1500 8 d .
C54 C 0.0000 0.472(4) -1.0000 0.35(5) Uiso 0.3000 4 d .
H1 H 0.2223 0.0725 0.1768 0.0630 Uiso 0.5000 8 calc R
H2 H 0.3555 0.1381 0.4650 0.0703 Uiso 0.5000 8 calc R
H3 H 0.2727 0.0747 0.4751 0.0640 Uiso 0.5000 8 calc R
H4A H 0.3811 0.1239 0.2841 0.0859 Uiso 0.5000 8 calc R
H4B H 0.3543 0.1841 0.3019 0.0859 Uiso 0.5000 8 calc R
H11A H 0.3628 0.0529 0.1689 0.1405 Uiso 0.5000 8 calc R
H11B H 0.4132 0.1044 0.1797 0.1405 Uiso 0.5000 8 calc R
H11C H 0.3727 0.0663 0.0735 0.1405 Uiso 0.5000 8 calc R
H12A H 0.2903 0.1279 -0.1403 0.1149 Uiso 0.5000 8 calc R
H12B H 0.2426 0.0753 -0.1466 0.1149 Uiso 0.5000 8 calc R
H12C H 0.3244 0.0769 -0.0546 0.1149 Uiso 0.5000 8 calc R
H13A H 0.1370 0.2720 -0.0300 0.1130 Uiso 0.5000 8 calc R
H13B H 0.0931 0.2162 -0.0374 0.1130 Uiso 0.5000 8 calc R
H13C H 0.1011 0.2320 -0.1338 0.1130 Uiso 0.5000 8 calc R
H14A H 0.1770 0.1995 0.1730 0.0920 Uiso 0.5000 8 calc R
H14B H 0.1976 0.2597 0.1451 0.0920 Uiso 0.5000 8 calc R
H14C H 0.2556 0.2232 0.2458 0.0920 Uiso 0.5000 8 calc R
H15A H 0.1422 0.2190 -0.2054 0.0876 Uiso 0.5000 8 calc R
H15B H 0.1926 0.1778 -0.2205 0.0876 Uiso 0.5000 8 calc R
H16 H 0.1207 0.0829 -0.1282 0.0662 Uiso 0.5000 8 calc R
H17 H 0.0470 0.1637 -0.4038 0.0805 Uiso 0.5000 8 calc R
H18 H -0.0232 0.0754 -0.4386 0.0743 Uiso 0.5000 8 calc R
H20A H 0.1300 0.1298 0.2983 0.0677 Uiso 1.0 8 calc R
H20B H 0.0557 0.1299 0.2861 0.0677 Uiso 1.0 8 calc R
H21A H 0.0004 0.1114 0.1045 0.0869 Uiso 1.0 8 calc R
H21B H 0.0750 0.1137 0.1178 0.0869 Uiso 1.0 8 calc R
H21C H 0.0438 0.1705 0.1376 0.0869 Uiso 1.0 8 calc R
H23 H 0.2333 0.0692 0.1856 0.0655 Uiso 0.5000 8 calc R
H24 H 0.3332 0.1558 0.4592 0.0691 Uiso 0.5000 8 calc R
H25 H 0.2504 0.0886 0.4614 0.0695 Uiso 0.5000 8 calc R
H26A H 0.3793 0.1465 0.3047 0.0849 Uiso 0.5000 8 calc R
H26B H 0.3315 0.2008 0.2908 0.0849 Uiso 0.5000 8 calc R
H33A H 0.3779 0.0587 0.2167 0.1488 Uiso 0.5000 8 calc R
H33B H 0.4254 0.1104 0.2193 0.1488 Uiso 0.5000 8 calc R
H33C H 0.3954 0.0628 0.1273 0.1488 Uiso 0.5000 8 calc R
H34A H 0.3244 0.1044 -0.0990 0.1483 Uiso 0.5000 8 calc R
H34B H 0.2740 0.0536 -0.1076 0.1483 Uiso 0.5000 8 calc R
H34C H 0.3521 0.0586 -0.0044 0.1483 Uiso 0.5000 8 calc R
H35A H 0.0928 0.1927 -0.1370 0.1221 Uiso 0.5000 8 calc R
H35B H 0.1364 0.2476 -0.1342 0.1221 Uiso 0.5000 8 calc R
H35C H 0.1197 0.2398 -0.0446 0.1221 Uiso 0.5000 8 calc R
H36A H 0.2275 0.2164 0.2130 0.1147 Uiso 0.5000 8 calc R
H36B H 0.1526 0.2152 0.1027 0.1147 Uiso 0.5000 8 calc R
H36C H 0.2073 0.2657 0.1262 0.1147 Uiso 0.5000 8 calc R
H37A H 0.1812 0.1927 -0.2147 0.1015 Uiso 0.5000 8 calc R
H37B H 0.2219 0.1345 -0.2058 0.1015 Uiso 0.5000 8 calc R
H38 H 0.1303 0.0653 -0.1316 0.0662 Uiso 0.5000 8 calc R
H39 H 0.0709 0.1523 -0.3968 0.0760 Uiso 0.5000 8 calc R
H40 H -0.0275 0.0898 -0.4314 0.0693 Uiso 0.5000 8 calc R
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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cu Cu 0.3201 1.2651
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O4 Cu1 O4 76.68(11) yes . 4_555
O4 Cu1 N1 94.73(12) yes . .
O4 Cu1 N1 164.09(13) yes . 4_555
O4 Cu1 N1 164.09(13) yes 4_555 .
O4 Cu1 N1 94.73(12) yes 4_555 4_555
N1 Cu1 N1 90.27(13) yes . 4_555
O4 Cu2 O4 76.48(10) yes . 4_555
O4 Cu2 N3 93.76(13) yes . 2_555
O4 Cu2 N3 163.59(9) yes . 3_555
O4 Cu2 N3 163.59(9) yes 4_555 2_555
O4 Cu2 N3 93.76(13) yes 4_555 3_555
N3 Cu2 N3 92.43(15) yes 2_555 3_555
O1 Cu3 O1 180.00(16) yes . 2_555
O1 Cu3 O2 67.52(13) yes . .
O1 Cu3 O2 112.48(13) yes . 2_555
O1 Cu3 C19 33.92(15) yes . .
O1 Cu3 C19 146.08(15) yes . 2_555
O1 Cu3 O2 112.48(13) yes 2_555 .
O1 Cu3 O2 67.52(13) yes 2_555 2_555
O1 Cu3 C19 146.08(15) yes 2_555 .
O1 Cu3 C19 33.92(15) yes 2_555 2_555
O2 Cu3 O2 180.00(10) yes . 2_555
O2 Cu3 C19 33.60(12) yes . .
O2 Cu3 C19 146.40(12) yes . 2_555
O2 Cu3 C19 146.40(12) yes 2_555 .
O2 Cu3 C19 33.60(12) yes 2_555 2_555
C19 Cu3 C19 180.00(14) yes . 2_555
Cu3 O1 C19 91.5(2) yes . .
Cu3 O2 C19 92.1(3) yes . .
Cu1 O4 Cu2 102.93(10) yes . .
Cu1 O4 C20 126.8(3) yes . .
Cu2 O4 C20 127.1(3) yes . .
O7 O5 C22 109(4) yes 4_555 .
O7 O5 C22 102(4) yes 4_555 4_555
C22 O5 C22 7.6(8) yes . 4_555
C22 O6 C22 10.8(7) yes . 4_555
O5 O7 C22 56(3) yes 4_555 .
O5 O7 C22 53(3) yes 4_555 4_555
C22 O7 C22 3.8(6) yes . 4_555
O8 O8 O8 34.8(9) yes 2_656 3_656
O8 O8 O8 90.0(18) yes 2_656 4_555
O8 O8 C41 54.7(14) yes 2_656 .
O8 O8 C41 64.3(17) yes 2_656 2_656
O8 O8 C43 58.6(14) yes 2_656 .
O8 O8 C43 62.0(14) yes 2_656 2_656
O8 O8 C43 52.9(16) yes 2_656 3_656
O8 O8 C43 49.1(19) yes 2_656 4_555
O8 O8 C44 93.5(14) yes 2_656 4_555
O8 O8 O8 55.2(15) yes 3_656 4_555
O8 O8 C41 86.7(16) yes 3_656 .
O8 O8 C41 95.9(16) yes 3_656 2_656
O8 O8 C43 39.1(15) yes 3_656 .
O8 O8 C43 41.7(12) yes 3_656 2_656
O8 O8 C43 56.9(15) yes 3_656 3_656
O8 O8 C43 54.1(16) yes 3_656 4_555
O8 O8 C44 111.9(13) yes 3_656 4_555
O8 O8 C41 137(3) yes 4_555 .
O8 O8 C41 144(2) yes 4_555 2_656
O8 O8 C43 52.4(14) yes 4_555 .
O8 O8 C43 51(2) yes 4_555 2_656
O8 O8 C43 85(3) yes 4_555 3_656
O8 O8 C43 85.2(18) yes 4_555 4_555
O8 O8 C44 124(3) yes 4_555 4_555
C41 O8 C41 46(3) yes . 2_656
C41 O8 C43 111.3(16) yes . .
C41 O8 C43 88(3) yes . 2_656
C41 O8 C43 55.0(19) yes . 3_656
C41 O8 C43 87.5(18) yes . 4_555
C41 O8 C44 85.6(17) yes . 4_555
C41 O8 C43 91.5(15) yes 2_656 .
C41 O8 C43 124(3) yes 2_656 2_656
C41 O8 C43 97(3) yes 2_656 3_656
C41 O8 C43 58.7(15) yes 2_656 4_555
C41 O8 C44 40(2) yes 2_656 4_555
C43 O8 C43 74.8(17) yes . 2_656
C43 O8 C43 96(2) yes . 3_656
C43 O8 C43 32.8(13) yes . 4_555
C43 O8 C44 83.5(16) yes . 4_555
C43 O8 C43 34.1(16) yes 2_656 3_656
C43 O8 C43 95.9(19) yes 2_656 4_555
C43 O8 C44 153.2(14) yes 2_656 4_555
C43 O8 C43 101(3) yes 3_656 4_555
C43 O8 C44 137.5(18) yes 3_656 4_555
C43 O8 C44 58.0(17) yes 4_555 4_555
C45A O9A C47A 108.7(14) yes . .
O13 O13 C53 41(7) yes 2_553 .
O13 O13 C53 92(12) yes 2_553 2_553
C53 O13 C53 52(10) yes . 2_553
Cu1 N1 C1A 126.6(7) yes . .
Cu1 N1 C3A 126.3(7) yes . .
Cu1 N1 C23B 129.5(6) yes . .
Cu1 N1 C25B 124.3(7) yes . .
C1A N1 C3A 106.4(9) yes . .
C23B N1 C25B 106.0(9) yes . .
C1A N2A C2A 107.1(13) yes . .
C1A N2A C4A 127.8(12) yes . .
C2A N2A C4A 125.1(9) yes . .
Cu2 N3 C16A 129.4(6) yes 2_555 .
Cu2 N3 C18A 123.5(8) yes 2_555 .
Cu2 N3 C38B 126.1(6) yes 2_555 .
Cu2 N3 C40B 127.4(7) yes 2_555 .
C16A N3 C18A 106.3(9) yes . .
C38B N3 C40B 106.4(9) yes . .
C15A N4A C16A 127.3(8) yes . .
C15A N4A C17A 125.8(10) yes . .
C16A N4A C17A 106.9(9) yes . .
C23B N5B C24B 107.0(13) yes . .
C23B N5B C26B 127.7(13) yes . .
C24B N5B C26B 125.3(9) yes . .
C37B N6B C38B 128.6(8) yes . .
C37B N6B C39B 124.3(11) yes . .
C38B N6B C39B 107.1(9) yes . .
N1 C1A N2A 110.6(10) yes . .
N2A C2A C3A 107.5(9) yes . .
N1 C3A C2A 108.4(10) yes . .
N2A C4A C5A 110.4(9) yes . .
C4A C5A C6A 118.9(9) yes . .
C4A C5A C10A 120.8(11) yes . .
C6A C5A C10A 120.3(8) yes . .
C5A C6A C7A 119.7(10) yes . .
C5A C6A C11A 120.2(9) yes . .
C7A C6A C11A 120.0(11) yes . .
C6A C7A C8A 120.2(11) yes . .
C6A C7A C12A 119.6(10) yes . .
C8A C7A C12A 120.2(8) yes . .
C7A C8A C9A 119.8(8) yes . .
C7A C8A C15A 120.7(11) yes . .
C9A C8A C15A 119.4(10) yes . .
C8A C9A C10A 120.4(13) yes . .
C8A C9A C13A 119.3(9) yes . .
C10A C9A C13A 120.3(14) yes . .
C5A C10A C9A 119.6(14) yes . .
C5A C10A C14A 121.1(8) yes . .
C9A C10A C14A 119.4(14) yes . .
N4A C15A C8A 111.2(9) yes . .
N3 C16A N4A 111.0(7) yes . .
N4A C17A C18A 107.4(11) yes . .
N3 C18A C17A 108.3(9) yes . .
Cu3 C19 O1 54.6(3) yes . .
Cu3 C19 O2 54.3(3) yes . .
Cu3 C19 O3 179.8(4) yes . .
O1 C19 O2 108.9(5) yes . .
O1 C19 O3 125.2(4) yes . .
O2 C19 O3 125.9(5) yes . .
O4 C20 C21 113.3(4) yes . .
O5 C22 O5 100.6(16) yes . 4_555
O5 C22 O6 119.7(11) yes . .
O5 C22 O7 121.0(14) yes . .
O5 C22 O7 18.5(15) yes . 4_555
O5 C22 O6 137.8(12) yes 4_555 .
O5 C22 O7 22.6(17) yes 4_555 .
O5 C22 O7 117.2(14) yes 4_555 4_555
O6 C22 O7 119.3(12) yes . .
O6 C22 O7 104.7(10) yes . 4_555
O7 C22 O7 135.2(11) yes . 4_555
N1 C23B N5B 110.9(12) yes . .
N5B C24B C25B 107.6(9) yes . .
N1 C25B C24B 108.4(11) yes . .
N5B C26B C27B 111.2(9) yes . .
C26B C27B C28B 121.5(8) yes . .
C26B C27B C32B 118.1(11) yes . .
C28B C27B C32B 120.4(9) yes . .
C27B C28B C29B 119.7(9) yes . .
C27B C28B C33B 120.5(9) yes . .
C29B C28B C33B 119.7(12) yes . .
C28B C29B C30B 119.6(12) yes . .
C28B C29B C34B 120.7(10) yes . .
C30B C29B C34B 119.7(9) yes . .
C29B C30B C31B 120.8(9) yes . .
C29B C30B C37B 118.9(11) yes . .
C31B C30B C37B 120.3(9) yes . .
C30B C31B C32B 119.6(13) yes . .
C30B C31B C35B 121.1(9) yes . .
C32B C31B C35B 119.2(15) yes . .
C27B C32B C31B 119.8(15) yes . .
C27B C32B C36B 121.1(9) yes . .
C31B C32B C36B 119.1(13) yes . .
N6B C37B C30B 111.3(11) yes . .
N3 C38B N6B 110.8(7) yes . .
N6B C39B C40B 107.2(11) yes . .
N3 C40B C39B 108.3(8) yes . .
O8 C41 O8 60.9(15) yes . 2_656
O8 C41 C41 60(3) yes . 2_656
O8 C41 C42 110(4) yes . .
O8 C41 C42 127(5) yes . 2_656
O8 C41 C43 44.9(14) yes . 2_656
O8 C41 C43 47.1(19) yes . 3_656
O8 C41 C43 39.3(12) yes . 4_555
O8 C41 C44 126(3) yes . 3_656
O8 C41 C41 73(3) yes 2_656 2_656
O8 C41 C42 123(3) yes 2_656 .
O8 C41 C42 135(3) yes 2_656 2_656
O8 C41 C43 46.9(11) yes 2_656 2_656
O8 C41 C43 53.7(14) yes 2_656 3_656
O8 C41 C43 36.5(16) yes 2_656 4_555
O8 C41 C44 90(3) yes 2_656 3_656
C41 C41 C42 58(3) yes 2_656 .
C41 C41 C42 77(4) yes 2_656 2_656
C41 C41 C43 98(2) yes 2_656 2_656
C41 C41 C43 103(3) yes 2_656 3_656
C41 C41 C43 40.8(16) yes 2_656 4_555
C41 C41 C44 157(3) yes 2_656 3_656
C42 C41 C42 19(5) yes . 2_656
C42 C41 C43 155(4) yes . 2_656
C42 C41 C43 157(5) yes . 3_656
C42 C41 C43 98(4) yes . 4_555
C42 C41 C44 124(4) yes . 3_656
C42 C41 C43 172(5) yes 2_656 2_656
C42 C41 C43 169(4) yes 2_656 3_656
C42 C41 C43 116(4) yes 2_656 4_555
C42 C41 C44 106(5) yes 2_656 3_656
C43 C41 C43 7.1(13) yes 2_656 3_656
C43 C41 C43 59.9(13) yes 2_656 4_555
C43 C41 C44 81.6(19) yes 2_656 3_656
C43 C41 C43 66.1(19) yes 3_656 4_555
C43 C41 C44 79(3) yes 3_656 3_656
C43 C41 C44 127(2) yes 4_555 3_656
C41 C42 C41 45(3) yes . 2_656
C41 C42 C42 58(4) yes . 2_656
C41 C42 C44 77(2) yes . 4_555
C41 C42 C42 103(5) yes 2_656 2_656
C41 C42 C44 34(3) yes 2_656 4_555
C42 C42 C44 135(4) yes 2_656 4_555
O8 C43 O8 59.4(14) yes . 2_656
O8 C43 O8 84(2) yes . 3_656
O8 C43 O8 42.4(12) yes . 4_555
O8 C43 C41 41.7(10) yes . 2_656
O8 C43 C41 109.9(19) yes . 3_656
O8 C43 C41 87.5(17) yes . 4_555
O8 C43 C43 51.4(15) yes . 2_656
O8 C43 C43 34.8(14) yes . 3_656
O8 C43 C43 52.4(19) yes . 4_555
O8 C43 C44 111.6(16) yes . .
O8 C43 O8 44.2(16) yes 2_656 3_656
O8 C43 O8 84(2) yes 2_656 4_555
O8 C43 C41 47.2(15) yes 2_656 2_656
O8 C43 C41 120(3) yes 2_656 3_656
O8 C43 C41 85(2) yes 2_656 4_555
O8 C43 C43 53.8(14) yes 2_656 2_656
O8 C43 C43 37.0(11) yes 2_656 3_656
O8 C43 C43 51(3) yes 2_656 4_555
O8 C43 C44 164(3) yes 2_656 .
O8 C43 O8 78(3) yes 3_656 4_555
O8 C43 C41 91(2) yes 3_656 2_656
O8 C43 C41 78(3) yes 3_656 3_656
O8 C43 C41 46.0(16) yes 3_656 4_555
O8 C43 C43 40.7(14) yes 3_656 2_656
O8 C43 C43 49.2(15) yes 3_656 3_656
O8 C43 C43 95(4) yes 3_656 4_555
O8 C43 C44 126(3) yes 3_656 .
O8 C43 C41 84.0(15) yes 4_555 2_656
O8 C43 C41 67.6(17) yes 4_555 3_656
O8 C43 C41 53.2(16) yes 4_555 4_555
O8 C43 C43 38.2(18) yes 4_555 2_656
O8 C43 C43 47.1(16) yes 4_555 3_656
O8 C43 C43 95(3) yes 4_555 4_555
O8 C43 C44 81.2(17) yes 4_555 .
C41 C43 C41 151(3) yes 2_656 3_656
C41 C43 C41 120.1(19) yes 2_656 4_555
C41 C43 C43 80.1(15) yes 2_656 2_656
C41 C43 C43 55.7(14) yes 2_656 3_656
C41 C43 C43 11(2) yes 2_656 4_555
C41 C43 C44 136(2) yes 2_656 .
C41 C43 C41 36(3) yes 3_656 4_555
C41 C43 C43 74(3) yes 3_656 2_656
C41 C43 C43 98(3) yes 3_656 3_656
C41 C43 C43 162(4) yes 3_656 4_555
C41 C43 C44 48(3) yes 3_656 .
C41 C43 C43 40.1(12) yes 4_555 2_656
C41 C43 C43 64.4(14) yes 4_555 3_656
C41 C43 C43 130(4) yes 4_555 4_555
C41 C43 C44 81.8(17) yes 4_555 .
C43 C43 C43 24.5(10) yes 2_656 3_656
C43 C43 C43 90(3) yes 2_656 4_555
C43 C43 C44 110.3(16) yes 2_656 .
C43 C43 C43 66(3) yes 3_656 4_555
C43 C43 C44 128.0(15) yes 3_656 .
C43 C43 C44 136(4) yes 4_555 .
O8 C44 C41 49.4(16) yes 4_555 3_656
O8 C44 C42 82(3) yes 4_555 4_555
O8 C44 C43 40.9(12) yes 4_555 .
C41 C44 C42 41(3) yes 3_656 4_555
C41 C44 C43 53.4(19) yes 3_656 .
C42 C44 C43 93(3) yes 4_555 .
O9A C45A C46A 113.8(13) yes . .
O9A C47A C48A 110.5(12) yes . .
O10B C49B C50B 108.5(19) yes . .
O11B C50B C49B 111.1(17) yes . .
O12 C51 C52 110(8) yes . .
O13 C53 O13 47(10) yes . 2_553
O13 C53 C53 41(7) yes . 2_553
O13 C53 C54 109(9) yes . .
O13 C53 C53 87(13) yes 2_553 2_553
O13 C53 C54 156(16) yes 2_553 .
C53 C53 C54 68(7) yes 2_553 .
C53 C54 C53 43(7) yes . 2_553
C53 C54 C54 158(5) yes . 3_563
C53 C54 C54 158(5) yes 2_553 3_563
N1 C1A H1 124.709 no . .
N2A C1A H1 124.715 no . .
N2A C2A H2 126.238 no . .
C3A C2A H2 126.220 no . .
N1 C3A H3 125.807 no . .
C2A C3A H3 125.806 no . .
N2A C4A H4A 109.578 no . .
N2A C4A H4B 109.580 no . .
C5A C4A H4A 109.585 no . .
C5A C4A H4B 109.577 no . .
H4A C4A H4B 108.120 no . .
C6A C11A H11A 109.462 no . .
C6A C11A H11B 109.464 no . .
C6A C11A H11C 109.466 no . .
H11A C11A H11B 109.481 no . .
H11A C11A H11C 109.476 no . .
H11B C11A H11C 109.479 no . .
C7A C12A H12A 109.465 no . .
C7A C12A H12B 109.480 no . .
C7A C12A H12C 109.468 no . .
H12A C12A H12B 109.474 no . .
H12A C12A H12C 109.468 no . .
H12B C12A H12C 109.471 no . .
C9A C13A H13A 109.471 no . .
C9A C13A H13B 109.473 no . .
C9A C13A H13C 109.457 no . .
H13A C13A H13B 109.475 no . .
H13A C13A H13C 109.480 no . .
H13B C13A H13C 109.471 no . .
C10A C14A H14A 109.466 no . .
C10A C14A H14B 109.473 no . .
C10A C14A H14C 109.479 no . .
H14A C14A H14B 109.456 no . .
H14A C14A H14C 109.476 no . .
H14B C14A H14C 109.475 no . .
N4A C15A H15A 109.389 no . .
N4A C15A H15B 109.402 no . .
C8A C15A H15A 109.377 no . .
C8A C15A H15B 109.392 no . .
H15A C15A H15B 107.999 no . .
N3 C16A H16 124.515 no . .
N4A C16A H16 124.521 no . .
N4A C17A H17 126.307 no . .
C18A C17A H17 126.307 no . .
N3 C18A H18 125.844 no . .
C17A C18A H18 125.846 no . .
O4 C20 H20A 108.905 no . .
O4 C20 H20B 108.914 no . .
C21 C20 H20A 108.906 no . .
C21 C20 H20B 108.906 no . .
H20A C20 H20B 107.733 no . .
C20 C21 H21A 109.476 no . .
C20 C21 H21B 109.481 no . .
C20 C21 H21C 109.464 no . .
H21A C21 H21B 109.479 no . .
H21A C21 H21C 109.471 no . .
H21B C21 H21C 109.456 no . .
N1 C23B H23 124.532 no . .
N5B C23B H23 124.541 no . .
N5B C24B H24 126.223 no . .
C25B C24B H24 126.221 no . .
N1 C25B H25 125.791 no . .
C24B C25B H25 125.796 no . .
N5B C26B H26A 109.397 no . .
N5B C26B H26B 109.395 no . .
C27B C26B H26A 109.390 no . .
C27B C26B H26B 109.390 no . .
H26A C26B H26B 108.013 no . .
C28B C33B H33A 109.471 no . .
C28B C33B H33B 109.476 no . .
C28B C33B H33C 109.477 no . .
H33A C33B H33B 109.464 no . .
H33A C33B H33C 109.460 no . .
H33B C33B H33C 109.478 no . .
C29B C34B H34A 109.475 no . .
C29B C34B H34B 109.471 no . .
C29B C34B H34C 109.473 no . .
H34A C34B H34B 109.474 no . .
H34A C34B H34C 109.463 no . .
H34B C34B H34C 109.472 no . .
C31B C35B H35A 109.472 no . .
C31B C35B H35B 109.481 no . .
C31B C35B H35C 109.465 no . .
H35A C35B H35B 109.481 no . .
H35A C35B H35C 109.451 no . .
H35B C35B H35C 109.476 no . .
C32B C36B H36A 109.471 no . .
C32B C36B H36B 109.474 no . .
C32B C36B H36C 109.480 no . .
H36A C36B H36B 109.469 no . .
H36A C36B H36C 109.463 no . .
H36B C36B H36C 109.471 no . .
N6B C37B H37A 109.365 no . .
N6B C37B H37B 109.367 no . .
C30B C37B H37A 109.364 no . .
C30B C37B H37B 109.366 no . .
H37A C37B H37B 107.988 no . .
N3 C38B H38 124.578 no . .
N6B C38B H38 124.592 no . .
N6B C39B H39 126.404 no . .
C40B C39B H39 126.425 no . .
N3 C40B H40 125.829 no . .
C39B C40B H40 125.831 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Cu1 O4 1.947(3) yes .
Cu1 O4 1.947(3) yes 4_555
Cu1 N1 1.976(3) yes .
Cu1 N1 1.976(3) yes 4_555
Cu2 O4 1.951(3) yes .
Cu2 O4 1.951(3) yes 4_555
Cu2 N3 1.979(4) yes 2_555
Cu2 N3 1.979(4) yes 3_555
Cu3 O1 1.942(3) yes .
Cu3 O1 1.942(3) yes 2_555
Cu3 O2 1.936(5) yes .
Cu3 O2 1.936(5) yes 2_555
Cu3 C19 2.383(5) yes .
Cu3 C19 2.383(5) yes 2_555
O1 C19 1.330(7) yes .
O2 C19 1.319(4) yes .
O3 C19 1.202(7) yes .
O4 C20 1.424(5) yes .
O5 O7 0.51(3) yes 4_555
O5 C22 1.30(2) yes .
O5 C22 1.11(3) yes 4_555
O6 C22 1.326(16) yes .
O6 C22 1.326(16) yes 4_555
O7 C22 1.310(16) yes .
O7 C22 1.542(16) yes 4_555
O8 O8 1.43(3) yes 2_656
O8 O8 1.74(3) yes 3_656
O8 O8 0.99(2) yes 4_555
O8 C41 1.47(4) yes .
O8 C41 1.33(3) yes 2_656
O8 C43 1.46(3) yes .
O8 C43 1.42(4) yes 2_656
O8 C43 1.10(4) yes 3_656
O8 C43 1.16(3) yes 4_555
O8 C44 1.76(4) yes 4_555
O9A C45A 1.46(3) yes .
O9A C47A 1.449(17) yes .
O10B C49B 1.43(2) yes .
O11B C50B 1.44(4) yes .
O12 C51 1.43(16) yes .
O13 O13 1.04(17) yes 2_553
O13 C53 1.43(15) yes .
O13 C53 0.93(12) yes 2_553
N1 C1A 1.32(2) yes .
N1 C3A 1.382(9) yes .
N1 C23B 1.33(2) yes .
N1 C25B 1.385(11) yes .
N2A C1A 1.342(19) yes .
N2A C2A 1.367(18) yes .
N2A C4A 1.46(2) yes .
N3 C16A 1.328(10) yes .
N3 C18A 1.379(13) yes .
N3 C38B 1.327(9) yes .
N3 C40B 1.379(13) yes .
N4A C15A 1.483(11) yes .
N4A C16A 1.339(16) yes .
N4A C17A 1.372(13) yes .
N5B C23B 1.340(19) yes .
N5B C24B 1.367(19) yes .
N5B C26B 1.47(2) yes .
N6B C37B 1.474(12) yes .
N6B C38B 1.335(17) yes .
N6B C39B 1.373(12) yes .
C2A C3A 1.34(2) yes .
C4A C5A 1.510(12) yes .
C5A C6A 1.394(16) yes .
C5A C10A 1.391(18) yes .
C6A C7A 1.396(11) yes .
C6A C11A 1.52(2) yes .
C7A C8A 1.388(16) yes .
C7A C12A 1.51(2) yes .
C8A C9A 1.39(2) yes .
C8A C15A 1.524(11) yes .
C9A C10A 1.394(11) yes .
C9A C13A 1.51(3) yes .
C10A C14A 1.51(3) yes .
C17A C18A 1.35(3) yes .
C20 C21 1.473(7) yes .
C24B C25B 1.34(2) yes .
C26B C27B 1.511(13) yes .
C27B C28B 1.392(17) yes .
C27B C32B 1.391(17) yes .
C28B C29B 1.394(12) yes .
C28B C33B 1.523(18) yes .
C29B C30B 1.392(16) yes .
C29B C34B 1.52(3) yes .
C30B C31B 1.38(2) yes .
C30B C37B 1.513(13) yes .
C31B C32B 1.397(12) yes .
C31B C35B 1.506(19) yes .
C32B C36B 1.52(3) yes .
C39B C40B 1.35(3) yes .
C41 C41 1.11(6) yes 2_656
C41 C42 1.52(6) yes .
C41 C42 1.33(4) yes 2_656
C41 C43 2.01(3) yes 2_656
C41 C43 1.23(3) yes 3_656
C41 C43 1.84(4) yes 4_555
C41 C44 1.14(6) yes 3_656
C42 C42 0.50(12) yes 2_656
C42 C44 1.97(7) yes 4_555
C43 C43 1.75(4) yes 2_656
C43 C43 1.92(4) yes 3_656
C43 C43 0.80(3) yes 4_555
C43 C44 1.51(4) yes .
C45A C46A 1.492(19) yes .
C47A C48A 1.483(19) yes .
C49B C50B 1.52(4) yes .
C51 C52 1.52(16) yes .
C53 C53 1.12(18) yes 2_553
C53 C54 1.52(12) yes .
C54 C54 1.30(11) yes 3_563
C1A H1 0.950 no .
C2A H2 0.950 no .
C3A H3 0.950 no .
C4A H4A 0.990 no .
C4A H4B 0.990 no .
C11A H11A 0.980 no .
C11A H11B 0.980 no .
C11A H11C 0.980 no .
C12A H12A 0.980 no .
C12A H12B 0.980 no .
C12A H12C 0.980 no .
C13A H13A 0.980 no .
C13A H13B 0.980 no .
C13A H13C 0.980 no .
C14A H14A 0.980 no .
C14A H14B 0.980 no .
C14A H14C 0.980 no .
C15A H15A 0.990 no .
C15A H15B 0.990 no .
C16A H16 0.950 no .
C17A H17 0.950 no .
C18A H18 0.950 no .
C20 H20A 0.990 no .
C20 H20B 0.990 no .
C21 H21A 0.980 no .
C21 H21B 0.980 no .
C21 H21C 0.980 no .
C23B H23 0.950 no .
C24B H24 0.950 no .
C25B H25 0.950 no .
C26B H26A 0.990 no .
C26B H26B 0.990 no .
C33B H33A 0.980 no .
C33B H33B 0.980 no .
C33B H33C 0.980 no .
C34B H34A 0.980 no .
C34B H34B 0.980 no .
C34B H34C 0.980 no .
C35B H35A 0.980 no .
C35B H35B 0.980 no .
C35B H35C 0.980 no .
C36B H36A 0.980 no .
C36B H36B 0.980 no .
C36B H36C 0.980 no .
C37B H37A 0.990 no .
C37B H37B 0.990 no .
C38B H38 0.950 no .
C39B H39 0.950 no .
C40B H40 0.950 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Cu1 C1A 2.96(2) no 4_555
Cu1 C3A 3.008(12) no 4_555
Cu1 C20 3.024(5) no 4_555
Cu1 C23B 3.00(2) no 4_555
Cu1 C25B 2.985(13) no 4_555
Cu2 C16A 3.002(12) no 3_555
Cu2 C18A 2.971(18) no 3_555
Cu2 C20 3.031(5) no 4_555
Cu2 C38B 2.962(12) no 3_555
Cu2 C40B 3.022(17) no 3_555
Cu3 O3 3.584(5) no 2_555
O4 C18A 3.44(2) no 2_555
O4 C25B 3.383(14) no .
O4 C40B 3.457(18) no 2_555
O8 C42 3.46(3) no 3_656
O8 C42 3.42(3) no 4_555
O10B O11B 2.51(5) no .
N1 C1A 3.50(2) no 4_555
N1 C3A 3.551(14) no 4_555
N1 C20 3.145(6) no .
N1 C23B 3.526(19) no 4_555
N2A C6A 3.448(18) no .
N2A C10A 3.075(16) no .
N2A C14A 3.096(18) no .
N3 C20 3.125(7) no 2_555
N3 C38B 3.507(13) no 4_555
N4A C7A 3.311(11) no .
N4A C9A 3.312(14) no .
N4A C12A 3.468(15) no .
N4A C13A 3.447(19) no .
N5B C28B 3.407(18) no .
N5B C32B 3.152(16) no .
N5B C36B 3.220(17) no .
N6B C29B 3.435(11) no .
N6B C31B 3.146(14) no .
N6B C35B 3.167(19) no .
C1A C5A 2.87(3) no .
C1A C10A 3.26(3) no .
C1A C14A 3.38(3) no .
C3A C4A 3.60(2) no .
C4A C11A 2.89(3) no .
C4A C14A 2.95(2) no .
C5A C8A 2.784(11) no .
C6A C9A 2.782(18) no .
C7A C10A 2.79(2) no .
C7A C16A 3.451(14) no .
C8A C16A 2.869(15) no .
C9A C16A 3.498(16) no .
C11A C12A 2.906(15) no .
C12A C15A 2.928(16) no .
C13A C14A 2.899(16) no .
C13A C15A 2.88(3) no .
C18A C20 3.49(2) no 2_555
C20 C25B 3.383(14) no .
C20 C40B 3.465(19) no 2_555
C23B C27B 2.88(3) no .
C23B C28B 3.57(3) no .
C23B C32B 3.40(3) no .
C26B C33B 2.96(3) no .
C26B C36B 2.888(18) no .
C27B C30B 2.772(12) no .
C28B C31B 2.790(16) no .
C29B C32B 2.79(3) no .
C30B C38B 2.921(15) no .
C31B C38B 3.415(17) no .
C33B C34B 2.928(17) no .
C34B C37B 2.880(17) no .
C35B C36B 2.871(18) no .
C35B C37B 2.93(3) no .
C35B C38B 3.54(2) no .
C44 C44 3.32(5) no 2_656
C44 C44 2.98(3) no 4_555
C45A C48A 3.42(3) no .
C46A C47A 3.59(3) no .
Cu1 O1 2.282(3) no .
Cu1 O5 3.32(2) no .
Cu1 O5 3.32(2) no 4_555
Cu1 C19 3.474(5) no .
Cu2 O2 2.276(3) no 2_555
Cu2 O5 3.482(15) no .
Cu2 O5 3.482(15) no 4_555
Cu2 O7 3.567(13) no .
Cu2 O7 3.567(13) no 4_555
Cu2 C19 3.452(4) no 2_555
Cu3 C21 3.491(5) no .
Cu3 C21 3.491(5) no 2_555
Cu3 C21 3.491(5) no 3_555
Cu3 C21 3.491(5) no 4_555
O1 Cu1 2.282(3) no .
O1 O4 3.136(5) no .
O1 O4 3.136(5) no 4_555
O1 N1 3.239(3) no .
O1 N1 3.239(3) no 4_555
O1 C1A 3.359(17) no .
O1 C1A 3.359(17) no 4_555
O1 C21 3.451(6) no .
O1 C21 3.451(6) no 4_555
O1 C23B 3.427(16) no .
O1 C23B 3.427(16) no 4_555
O2 Cu2 2.276(3) no 2_555
O2 O4 3.137(3) no 2_555
O2 O4 3.137(3) no 3_555
O2 N3 3.232(5) no .
O2 N3 3.232(5) no 4_555
O2 C16A 3.390(13) no .
O2 C16A 3.390(13) no 4_555
O2 C21 3.479(6) no 2_555
O2 C21 3.479(6) no 3_555
O2 C38B 3.364(14) no .
O2 C38B 3.364(14) no 4_555
O3 C1A 3.426(14) no .
O3 C1A 3.426(14) no 4_555
O3 C16A 3.538(10) no .
O3 C16A 3.538(10) no 4_555
O3 C23B 3.489(14) no .
O3 C23B 3.489(14) no 4_555
O3 C38B 3.400(11) no .
O3 C38B 3.400(11) no 4_555
O4 O1 3.136(5) no .
O4 O2 3.137(3) no 2_555
O4 O5 3.497(14) no .
O4 O5 2.784(15) no 4_555
O4 O7 2.886(15) no .
O4 C22 3.588(9) no .
O5 Cu1 3.32(2) no .
O5 Cu2 3.482(15) no .
O5 O4 3.497(14) no .
O5 O4 2.784(15) no 4_555
O5 C3A 3.45(4) no 4_555
O5 C20 3.438(15) no 4_555
O5 C25B 3.31(4) no 4_555
O7 Cu2 3.567(13) no .
O7 O4 2.886(15) no .
O7 C18A 3.29(3) no 2_555
O7 C20 3.369(15) no .
O7 C25B 3.51(3) no .
O7 C40B 3.36(3) no 2_555
O7 C45A 3.34(2) no 1_556
O7 C46A 3.43(2) no 1_556
O9A C14A 3.428(15) no 7_555
O9A C15A 3.247(17) no .
O9A C17A 3.42(2) no .
O10B C26B 3.01(3) no 8_454
O10B C27B 3.528(17) no 8_454
O10B C33B 3.58(3) no 8_454
O10B C35B 3.21(3) no 2_554
O10B C42 3.39(6) no 7_555
O10B C42 3.08(6) no 8_454
O12 C43 3.25(12) no 2_656
O12 C43 3.25(12) no 3_656
O12 C44 2.77(10) no 2_656
O12 C44 2.77(10) no 3_656
O13 C52 3.42(9) no 6_555
N1 O1 3.239(3) no .
N2A C47A 3.248(17) no 7_555
N3 O2 3.232(5) no .
C1A O1 3.359(17) no .
C1A O3 3.426(14) no .
C2A C41 3.58(3) no .
C2A C42 3.46(7) no 2_656
C2A C44 3.10(3) no 3_656
C2A C47A 2.844(18) no 7_555
C3A O5 3.45(4) no 4_555
C4A C42 3.42(5) no .
C4A C42 3.51(5) no 2_656
C4A C47A 3.10(3) no 7_555
C14A O9A 3.428(15) no 7_555
C14A C15A 3.52(2) no 7_555
C15A O9A 3.247(17) no .
C15A C14A 3.52(2) no 7_555
C16A O2 3.390(13) no .
C16A O3 3.538(10) no .
C17A O9A 3.42(2) no .
C18A O7 3.29(3) no 2_555
C18A C18A 3.562(18) no 2_554
C19 Cu1 3.474(5) no .
C19 Cu2 3.452(4) no 2_555
C20 O5 3.438(15) no 4_555
C20 O7 3.369(15) no .
C21 Cu3 3.491(5) no .
C21 O1 3.451(6) no .
C21 O2 3.479(6) no 2_555
C22 O4 3.588(9) no .
C23B O1 3.427(16) no .
C23B O3 3.489(14) no .
C24B C44 3.48(3) no 3_656
C24B C50B 3.474(19) no 7_555
C25B O5 3.31(4) no 4_555
C25B O7 3.51(3) no .
C26B O10B 3.01(3) no 8_556
C26B C42 3.58(5) no .
C27B O10B 3.528(17) no 8_556
C33B O10B 3.58(3) no 8_556
C33B C44 3.51(2) no 4_555
C35B O10B 3.21(3) no 2_554
C36B C37B 3.55(2) no 7_555
C37B C36B 3.55(2) no 7_555
C38B O2 3.364(14) no .
C38B O3 3.400(11) no .
C40B O7 3.36(3) no 2_555
C41 C2A 3.58(3) no .
C42 O10B 3.39(6) no 7_555
C42 O10B 3.08(6) no 8_556
C42 C2A 3.46(7) no 2_656
C42 C4A 3.42(5) no .
C42 C4A 3.51(5) no 2_656
C42 C26B 3.58(5) no .
C42 C47A 3.55(6) no 8_556
C42 C48A 2.99(5) no 7_555
C42 C48A 2.81(4) no 8_556
C42 C49B 3.01(6) no 7_555
C42 C49B 2.70(6) no 8_556
C43 O12 3.25(12) no 2_656
C44 O12 2.77(10) no 2_656
C44 C2A 3.10(3) no 3_656
C44 C24B 3.48(3) no 3_656
C44 C33B 3.51(2) no 4_555
C45A O7 3.34(2) no 1_554
C46A O7 3.43(2) no 1_554
C47A N2A 3.248(17) no 7_555
C47A C2A 2.844(18) no 7_555
C47A C4A 3.10(3) no 7_555
C47A C42 3.55(6) no 8_454
C48A C42 2.99(5) no 7_555
C48A C42 2.81(4) no 8_454
C48A C48A 2.59(3) no 2_554
C49B C42 3.01(6) no 7_555
C49B C42 2.70(6) no 8_454
C49B C49B 3.50(4) no 2_554
C50B C24B 3.474(19) no 7_555
C51 C54 3.56(9) no 5_547
C51 C54 3.56(9) no 7_555
C52 O13 3.42(9) no 6_545
C52 O13 3.42(9) no 7_555
C52 C53 2.65(11) no 5_547
C52 C53 3.24(11) no 6_545
C52 C53 3.24(11) no 7_555
C52 C53 2.65(11) no 8_557
C52 C54 2.15(10) no 5_547
C52 C54 2.15(10) no 7_555
C53 C52 2.65(11) no 5_453
C53 C52 3.24(11) no 6_555
C54 C51 3.56(9) no 5_453
C54 C51 3.56(9) no 6_555
C54 C52 2.15(10) no 5_453
C54 C52 2.15(10) no 6_555
C54 C53 2.77(12) no 4_565
Cu1 H1 3.1524 no .
Cu1 H1 3.1524 no 4_555
Cu1 H3 3.2179 no .
Cu1 H3 3.2179 no 4_555
Cu1 H20A 3.1113 no .
Cu1 H20A 3.1113 no 4_555
Cu1 H21B 3.3396 no .
Cu1 H21B 3.3396 no 4_555
Cu1 H23 3.2093 no .
Cu1 H23 3.2093 no 4_555
Cu1 H25 3.1737 no .
Cu1 H25 3.1737 no 4_555
Cu2 H16 3.2170 no 2_555
Cu2 H16 3.2170 no 3_555
Cu2 H18 3.1628 no 2_555
Cu2 H18 3.1628 no 3_555
Cu2 H20B 3.1121 no .
Cu2 H20B 3.1121 no 4_555
Cu2 H21A 3.3411 no .
Cu2 H21A 3.3411 no 4_555
Cu2 H38 3.1410 no 2_555
Cu2 H38 3.1410 no 3_555
Cu2 H40 3.2393 no 2_555
Cu2 H40 3.2393 no 3_555
O4 H18 3.5163 no 2_555
O4 H21A 2.6210 no .
O4 H21B 2.6492 no .
O4 H21C 3.2505 no .
O4 H25 3.3004 no .
O4 H40 3.4083 no 2_555
N1 H2 3.1299 no .
N1 H20A 2.6216 no .
N1 H21B 3.2965 no .
N1 H24 3.1324 no .
N2A H3 3.1051 no .
N2A H11A 3.3751 no .
N2A H14A 3.1087 no .
N2A H14C 2.6732 no .
N3 H17 3.1319 no .
N3 H20B 2.5900 no 2_555
N3 H21A 3.3371 no 2_555
N3 H35A 3.4971 no .
N3 H38 3.5687 no 4_555
N3 H39 3.1327 no .
N4A H12A 3.5975 no .
N4A H12B 2.9804 no .
N4A H13C 2.8168 no .
N4A H18 3.1132 no .
N4A H20B 3.3873 no 2_555
N5B H25 3.1050 no .
N5B H33A 3.2703 no .
N5B H36A 2.5338 no .
N6B H34B 3.2673 no .
N6B H35A 2.6411 no .
N6B H35B 3.2939 no .
N6B H40 3.1117 no .
C1A H2 3.0975 no .
C1A H3 3.0829 no .
C1A H4A 3.0225 no .
C1A H4B 3.2241 no .
C1A H11A 3.5661 no .
C1A H14A 3.0560 no .
C1A H14C 3.3084 no .
C1A H20A 3.2824 no .
C1A H21B 3.3333 no .
C2A H1 3.0948 no .
C2A H4A 2.9101 no .
C2A H4B 2.6622 no .
C2A H14C 3.2015 no .
C3A H1 3.0855 no .
C3A H20A 2.9336 no .
C4A H1 2.8019 no .
C4A H2 2.8006 no .
C4A H11A 2.8241 no .
C4A H11B 2.8174 no .
C4A H14A 3.3828 no .
C4A H14C 2.4987 no .
C5A H1 2.6567 no .
C5A H11A 2.7661 no .
C5A H11B 2.7850 no .
C5A H11C 3.3229 no .
C5A H14A 3.0340 no .
C5A H14B 3.2408 no .
C5A H14C 2.5976 no .
C6A H1 3.2208 no .
C6A H4A 2.5361 no .
C6A H4B 3.1687 no .
C6A H12A 3.1444 no .
C6A H12B 3.1290 no .
C6A H12C 2.5448 no .
C7A H11A 3.1459 no .
C7A H11B 3.1570 no .
C7A H11C 2.5655 no .
C7A H15A 3.2840 no .
C7A H15B 2.6390 no .
C7A H16 3.0127 no .
C8A H12A 2.7613 no .
C8A H12B 2.7572 no .
C8A H12C 3.3073 no .
C8A H13A 3.1286 no .
C8A H13B 3.1253 no .
C8A H13C 2.5319 no .
C8A H16 2.6090 no .
C9A H14A 2.8816 no .
C9A H14B 2.6433 no .
C9A H14C 3.2883 no .
C9A H15A 2.6108 no .
C9A H15B 3.2714 no .
C9A H16 3.0941 no .
C10A H1 2.9863 no .
C10A H4A 3.3215 no .
C10A H4B 2.7416 no .
C10A H13A 2.7653 no .
C10A H13B 2.7599 no .
C10A H13C 3.3114 no .
C11A H4A 2.3714 no .
C11A H11A 3.2324 no 4_555
C11A H11C 3.5831 no 4_555
C11A H12A 3.5799 no .
C11A H12B 3.5414 no .
C11A H12C 2.3816 no .
C12A H11A 3.5562 no .
C12A H11B 3.5665 no .
C12A H11C 2.3912 no .
C12A H15B 2.5777 no .
C12A H16 3.4795 no .
C13A H14A 3.0621 no .
C13A H14B 2.6114 no .
C13A H15A 2.5025 no .
C14A H1 3.4380 no .
C14A H4B 2.8090 no .
C14A H13A 2.8160 no .
C14A H13B 2.8378 no .
C15A H12A 2.8336 no .
C15A H12B 2.8783 no .
C15A H13A 3.5165 no .
C15A H13B 3.5537 no .
C15A H13C 2.3501 no .
C15A H16 2.8047 no .
C15A H17 2.8372 no .
C16A H12B 3.0493 no .
C16A H13C 3.3805 no .
C16A H15A 3.1588 no .
C16A H15B 3.1377 no .
C16A H17 3.0955 no .
C16A H18 3.0828 no .
C16A H20B 3.0356 no 2_555
C16A H21A 3.2190 no 2_555
C17A H15A 2.7872 no .
C17A H15B 2.8280 no .
C17A H16 3.0934 no .
C17A H20B 3.1599 no 2_555
C18A H16 3.0844 no .
C18A H20B 2.7113 no 2_555
C20 H25 3.3900 no .
C20 H40 3.4923 no 2_555
C21 H13B 3.3661 no 2_555
C21 H14A 3.2007 no .
C21 H21A 3.3064 no 2_555
C21 H21B 3.3805 no 2_555
C21 H35A 3.4675 no 2_555
C21 H36B 3.4460 no .
C23B H20A 3.2889 no .
C23B H21B 3.3785 no .
C23B H24 3.0938 no .
C23B H25 3.0810 no .
C23B H26A 3.0445 no .
C23B H26B 3.2138 no .
C23B H33A 3.3541 no .
C23B H36A 3.1545 no .
C24B H20A 3.3309 no .
C24B H23 3.0913 no .
C24B H26A 2.8828 no .
C24B H26B 2.6908 no .
C24B H36A 3.1207 no .
C25B H20A 2.5895 no .
C25B H23 3.0837 no .
C26B H23 2.8012 no .
C26B H24 2.8091 no .
C26B H33A 2.8791 no .
C26B H33B 2.9010 no .
C26B H36A 2.3923 no .
C26B H36C 3.4456 no .
C27B H23 2.6557 no .
C27B H33A 2.7700 no .
C27B H33B 2.7885 no .
C27B H33C 3.3236 no .
C27B H36A 2.5832 no .
C27B H36B 3.1963 no .
C27B H36C 3.1089 no .
C28B H23 3.0848 no .
C28B H26A 2.6031 no .
C28B H26B 3.2400 no .
C28B H34A 3.1393 no .
C28B H34B 3.1722 no .
C28B H34C 2.5771 no .
C29B H33A 3.1458 no .
C29B H33B 3.1467 no .
C29B H33C 2.5578 no .
C29B H37A 3.1923 no .
C29B H37B 2.5437 no .
C29B H38 3.1953 no .
C30B H34A 2.7792 no .
C30B H34B 2.7505 no .
C30B H34C 3.3159 no .
C30B H35A 2.7577 no .
C30B H35B 2.7743 no .
C30B H35C 3.3063 no .
C30B H38 2.7230 no .
C31B H36A 3.3078 no .
C31B H36B 2.6946 no .
C31B H36C 2.8219 no .
C31B H37A 2.6925 no .
C31B H37B 3.3031 no .
C31B H38 3.1831 no .
C32B H23 3.1299 no .
C32B H26A 3.2823 no .
C32B H26B 2.6325 no .
C32B H35A 3.1296 no .
C32B H35B 3.1288 no .
C32B H35C 2.5322 no .
C33B H23 3.5947 no .
C33B H26A 2.5035 no .
C33B H33A 3.4182 no 4_555
C33B H33C 3.5255 no 4_555
C33B H34A 3.5533 no .
C33B H34C 2.4173 no .
C34B H33A 3.5832 no .
C34B H33B 3.5810 no .
C34B H33C 2.4091 no .
C34B H34B 3.1959 no 4_555
C34B H34C 3.3299 no 4_555
C34B H37B 2.3767 no .
C35B H36B 2.6691 no .
C35B H36C 2.9293 no .
C35B H37A 2.7435 no .
C36B H26B 2.6169 no .
C36B H35A 3.5285 no .
C36B H35B 3.5242 no .
C36B H35C 2.3391 no .
C37B H34A 2.8133 no .
C37B H34B 2.7984 no .
C37B H35A 2.8742 no .
C37B H35B 2.8463 no .
C37B H38 2.8182 no .
C37B H39 2.8040 no .
C38B H20B 3.3128 no 2_555
C38B H21A 3.4642 no 2_555
C38B H34B 3.3985 no .
C38B H35A 2.8495 no .
C38B H37A 3.2372 no .
C38B H37B 3.0293 no .
C38B H38 3.4715 no 4_555
C38B H39 3.0967 no .
C38B H40 3.0838 no .
C39B H20B 3.4580 no 2_555
C39B H35A 3.2758 no .
C39B H37A 2.6677 no .
C39B H37B 2.9048 no .
C39B H38 3.0947 no .
C40B H20B 2.6693 no 2_555
C40B H38 3.0851 no .
H1 H1 3.3578 no 4_555
H1 H4A 3.2747 no .
H1 H11A 3.3005 no .
H1 H14A 3.1089 no .
H1 H21B 3.1147 no .
H2 H3 2.4611 no .
H2 H4A 3.0980 no .
H2 H4B 2.6609 no .
H2 H14C 3.4202 no .
H3 H3 3.4606 no 4_555
H3 H20A 3.1293 no .
H4A H11A 2.2541 no .
H4A H11B 2.1132 no .
H4A H11C 3.3435 no .
H4A H14C 3.4631 no .
H4B H11B 3.3618 no .
H4B H14A 3.4101 no .
H4B H14B 3.4849 no .
H4B H14C 2.1228 no .
H11A H11A 2.4530 no 4_555
H11A H11C 3.1772 no 4_555
H11A H12C 3.0226 no .
H11B H12C 3.0139 no .
H11C H11C 3.0710 no 4_555
H11C H12A 3.0453 no .
H11C H12B 3.0043 no .
H11C H12C 1.6292 no .
H12A H15B 2.1918 no .
H12B H12B 3.4875 no 4_555
H12B H15B 2.6057 no .
H12B H16 2.9448 no .
H12C H12C 3.5640 no 4_555
H12C H15B 3.5347 no .
H13A H14A 3.1488 no .
H13A H14B 2.2211 no .
H13A H15A 2.9698 no .
H13B H14A 2.6789 no .
H13B H14B 2.6559 no .
H13B H15A 3.2764 no .
H13B H16 3.5683 no .
H13B H21A 3.0154 no 2_555
H13B H21B 3.5086 no .
H13B H21C 3.5437 no .
H13B H21C 2.8229 no 2_555
H13C H14B 3.5669 no .
H13C H15A 1.7971 no .
H13C H15B 3.2556 no .
H13C H16 3.4791 no .
H13C H21C 3.5689 no 2_555
H14A H20A 3.0856 no .
H14A H21B 2.8157 no .
H14A H21C 2.8600 no .
H15A H16 3.4865 no .
H15A H17 2.8538 no .
H15B H16 3.4560 no .
H15B H17 2.9462 no .
H16 H20B 3.5384 no 2_555
H16 H21A 3.0436 no 2_555
H17 H18 2.4714 no .
H18 H18 3.4908 no 4_555
H18 H20B 3.0437 no 2_555
H20A H21A 2.8211 no .
H20A H21B 2.3121 no .
H20A H21C 2.3193 no .
H20A H25 2.6598 no .
H20B H21A 2.3351 no .
H20B H21B 2.8205 no .
H20B H21C 2.2965 no .
H20B H35A 3.2048 no 2_555
H20B H40 2.7544 no 2_555
H21A H21A 3.1318 no 2_555
H21A H21B 2.7976 no 2_555
H21A H21C 3.4815 no 2_555
H21A H35A 3.0718 no 2_555
H21A H38 3.3921 no 2_555
H21B H21B 3.3100 no 2_555
H21B H21C 3.5227 no 2_555
H21B H23 3.3299 no .
H21B H36B 3.0262 no .
H21C H21C 3.4718 no 2_555
H21C H35A 3.1494 no 2_555
H21C H35C 3.5623 no 2_555
H21C H36B 2.9893 no .
H23 H23 3.2068 no 4_555
H23 H26A 3.3081 no .
H23 H26B 3.5941 no .
H23 H33A 3.0736 no .
H23 H36A 3.4458 no .
H24 H25 2.4619 no .
H24 H26A 3.0354 no .
H24 H26B 2.7179 no .
H24 H36A 3.4192 no .
H26A H33A 2.4168 no .
H26A H33B 2.2203 no .
H26A H33C 3.4756 no .
H26A H36A 3.3558 no .
H26B H33B 3.5563 no .
H26B H36A 2.0181 no .
H26B H36B 3.4757 no .
H26B H36C 2.9511 no .
H33A H33A 2.7194 no 4_555
H33A H33C 3.2358 no 4_555
H33A H34C 3.0417 no .
H33B H34C 3.0625 no .
H33C H33C 2.9084 no 4_555
H33C H34A 3.0150 no .
H33C H34B 3.0753 no .
H33C H34C 1.6616 no .
H33C H34C 3.2653 no 4_555
H34A H37A 3.4128 no .
H34A H37B 2.0998 no .
H34B H34B 2.4822 no 4_555
H34B H34C 3.0504 no 4_555
H34B H37B 2.2753 no .
H34B H38 3.1046 no .
H34C H34C 2.7166 no 4_555
H34C H37B 3.3473 no .
H35A H36B 3.1190 no .
H35A H37A 2.8303 no .
H35A H38 3.0618 no .
H35B H36B 3.4559 no .
H35B H36C 3.3437 no .
H35B H37A 2.3398 no .
H35C H36A 3.3008 no .
H35C H36B 1.9913 no .
H35C H36C 2.3061 no .
H37A H39 2.6724 no .
H37B H38 3.2772 no .
H37B H39 3.0699 no .
H38 H38 3.0238 no 4_555
H39 H40 2.4720 no .
Cu3 H21A 3.0182 no .
Cu3 H21A 3.0182 no 2_555
Cu3 H21A 3.0182 no 3_555
Cu3 H21A 3.0182 no 4_555
Cu3 H21B 3.1101 no .
Cu3 H21B 3.1101 no 2_555
Cu3 H21B 3.1101 no 3_555
Cu3 H21B 3.1101 no 4_555
O1 H1 2.8644 no .
O1 H1 2.8644 no 4_555
O1 H21A 3.5091 no .
O1 H21A 3.5091 no 4_555
O1 H21B 2.7618 no .
O1 H21B 2.7618 no 4_555
O1 H23 2.9958 no .
O1 H23 2.9958 no 4_555
O2 H16 2.9354 no .
O2 H16 2.9354 no 4_555
O2 H21A 2.7378 no 2_555
O2 H21A 2.7378 no 3_555
O2 H38 2.8941 no .
O2 H38 2.8941 no 4_555
O3 H1 2.5674 no .
O3 H1 2.5674 no 4_555
O3 H16 2.7053 no .
O3 H16 2.7053 no 4_555
O3 H23 2.6142 no .
O3 H23 2.6142 no 4_555
O3 H38 2.5019 no .
O3 H38 2.5019 no 4_555
O5 H3 2.7561 no 4_555
O5 H18 2.9701 no 3_555
O5 H20A 3.3474 no 4_555
O5 H20B 3.4504 no 4_555
O5 H25 2.5345 no 4_555
O5 H40 2.9634 no 3_555
O6 H12B 3.1976 no 1_556
O6 H12B 3.1976 no 4_556
O6 H18 3.5522 no 2_555
O6 H18 3.5522 no 3_555
O6 H34B 3.4055 no 1_556
O6 H34B 3.4055 no 4_556
O7 H3 2.9939 no .
O7 H18 2.6084 no 2_555
O7 H20A 3.2899 no .
O7 H20B 3.2447 no .
O7 H25 2.7048 no .
O7 H40 2.5726 no 2_555
O8 H4A 3.3763 no 2_656
O8 H33A 3.3473 no 2_656
O9A H2 3.5818 no 7_555
O9A H4B 2.9905 no 7_555
O9A H14B 3.4867 no 7_555
O9A H14C 2.5667 no 7_555
O9A H15A 3.2394 no .
O9A H15B 2.5484 no .
O9A H17 2.8243 no .
O10B H26A 2.4359 no 8_454
O10B H26B 2.8331 no 8_454
O10B H33B 2.7354 no 8_454
O10B H35A 3.0880 no 2_554
O10B H35B 2.5498 no 2_554
O10B H35C 3.5750 no 2_554
O10B H37A 3.4756 no 2_554
O10B H39 3.5195 no 2_554
O11B H21C 3.4539 no 1_554
O11B H24 3.4825 no 7_555
O11B H33B 3.4840 no 8_454
O12 H33C 3.5763 no 2_656
O12 H33C 3.5763 no 3_656
O13 H34A 3.4915 no 7_554
O13 H34A 3.5226 no 8_454
C4A H15A 3.3535 no 7_555
C5A H13A 3.4389 no 7_555
C5A H15A 3.1942 no 7_555
C6A H13A 2.9893 no 7_555
C7A H13A 2.8991 no 7_555
C7A H14B 3.4069 no 7_555
C8A H13A 3.2839 no 7_555
C8A H14B 3.3433 no 7_555
C10A H15A 3.1869 no 7_555
C10A H15B 3.4850 no 7_555
C12A H13A 3.4581 no 7_555
C12A H14B 3.3983 no 7_555
C14A H12A 3.5337 no 7_555
C14A H15A 3.3406 no 7_555
C14A H15B 2.9808 no 7_555
C15A H4B 3.4836 no 7_555
C15A H14B 3.1846 no 7_555
C15A H14C 3.2929 no 7_555
C17A H17 3.1447 no 2_554
C17A H18 3.1488 no 2_554
C18A H17 3.3592 no 2_554
C18A H18 2.9931 no 2_554
C19 H1 2.9148 no .
C19 H1 2.9148 no 4_555
C19 H16 2.9934 no .
C19 H16 2.9934 no 4_555
C19 H21A 3.3492 no 2_555
C19 H21A 3.3492 no 3_555
C19 H21B 3.3616 no .
C19 H21B 3.3616 no 4_555
C19 H23 3.0313 no .
C19 H23 3.0313 no 4_555
C19 H38 2.9122 no .
C19 H38 2.9122 no 4_555
C22 H3 3.5744 no .
C22 H18 3.1274 no 2_555
C22 H18 3.2643 no 3_555
C22 H25 3.4613 no .
C22 H40 3.2450 no 2_555
C22 H40 3.4019 no 3_555
C26B H35B 3.3196 no 7_555
C26B H37A 3.4852 no 7_555
C27B H35B 2.8225 no 7_555
C27B H37A 3.5890 no 7_555
C28B H35B 3.1444 no 7_555
C29B H36C 3.2829 no 7_555
C30B H36C 2.8566 no 7_555
C31B H35B 3.5192 no 7_555
C31B H36C 3.4574 no 7_555
C32B H35B 3.0400 no 7_555
C32B H37A 3.3092 no 7_555
C36B H37A 2.9436 no 7_555
C36B H37B 3.5689 no 7_555
C37B H36C 2.7465 no 7_555
C39B H39 3.4534 no 2_554
C39B H40 3.0430 no 2_554
C40B H39 3.2863 no 2_554
C40B H40 3.1835 no 2_554
C41 H2 3.2126 no .
C41 H4A 3.4324 no .
C41 H4A 2.9463 no 2_656
C41 H26A 3.4847 no .
C41 H26A 3.1283 no 2_656
C41 H33A 3.2602 no 2_656
C41 H33B 3.2775 no 2_656
C42 H2 3.2264 no .
C42 H2 2.8988 no 2_656
C42 H4A 2.7856 no .
C42 H4A 2.9720 no 2_656
C42 H4B 3.3025 no .
C42 H4B 3.3546 no 2_656
C42 H24 3.4249 no 2_656
C42 H26A 2.7029 no .
C42 H26A 2.8367 no 2_656
C42 H33B 3.4046 no .
C43 H4A 3.3862 no 4_555
C43 H11A 3.5505 no 4_555
C43 H33A 3.3766 no .
C43 H33A 3.0389 no 4_555
C43 H33B 3.4921 no 4_555
C44 H2 2.6992 no 3_656
C44 H4A 3.2614 no 4_555
C44 H11B 3.3485 no 4_555
C44 H24 3.2770 no 3_656
C44 H26A 3.5372 no 4_555
C44 H33A 3.2459 no 4_555
C44 H33B 2.9484 no 4_555
C45A H14C 3.2153 no 7_555
C45A H15B 3.5328 no .
C45A H20A 3.5993 no 1_554
C46A H3 3.2387 no 1_554
C46A H12A 3.2645 no .
C46A H14B 3.4115 no 7_555
C46A H14C 3.3542 no 7_555
C46A H15B 3.4910 no .
C47A H2 2.2467 no 7_555
C47A H4A 3.5998 no 7_555
C47A H4B 2.2753 no 7_555
C47A H14C 2.6706 no 7_555
C47A H15B 3.5270 no .
C47A H17 3.3437 no .
C48A H2 2.8740 no 7_555
C48A H4B 2.8688 no 7_555
C48A H17 2.8689 no .
C48A H17 3.0346 no 2_554
C49B H24 3.0241 no 7_555
C49B H26A 3.3473 no 8_454
C50B H24 2.5243 no 7_555
C51 H3 3.5967 no .
C51 H3 3.5967 no 4_555
C53 H11C 3.3388 no 7_554
C53 H12C 3.5364 no 7_554
C53 H33C 3.4346 no 7_554
C53 H34A 3.4485 no 7_554
C53 H34A 3.5179 no 8_454
C53 H34C 3.2277 no 7_554
C54 H34C 3.4101 no 7_554
C54 H34C 3.4101 no 8_454
H1 O1 2.8644 no .
H1 O3 2.5674 no .
H1 C19 2.9148 no .
H2 O9A 3.5818 no 7_555
H2 C41 3.2126 no .
H2 C42 3.2264 no .
H2 C42 2.8988 no 2_656
H2 C44 2.6992 no 3_656
H2 C47A 2.2467 no 7_555
H2 C48A 2.8740 no 7_555
H3 O5 2.7561 no 4_555
H3 O7 2.9939 no .
H3 C22 3.5744 no .
H3 C46A 3.2387 no 1_556
H3 C51 3.5967 no .
H4A O8 3.3763 no 2_656
H4A C41 3.4324 no .
H4A C41 2.9463 no 2_656
H4A C42 2.7856 no .
H4A C42 2.9720 no 2_656
H4A C43 3.3862 no 4_555
H4A C44 3.2614 no 4_555
H4A C47A 3.5998 no 7_555
H4B O9A 2.9905 no 7_555
H4B C15A 3.4836 no 7_555
H4B C42 3.3025 no .
H4B C42 3.3546 no 2_656
H4B C47A 2.2753 no 7_555
H4B C48A 2.8688 no 7_555
H4B H15A 2.6973 no 7_555
H4B H15B 3.3809 no 7_555
H11A C43 3.5505 no 4_555
H11B C44 3.3485 no 4_555
H11B H13A 3.4283 no 7_555
H11C C53 3.3388 no 7_554
H12A C14A 3.5337 no 7_555
H12A C46A 3.2645 no .
H12A H13A 3.1659 no 7_555
H12A H14B 2.6219 no 7_555
H12B O6 3.1976 no 1_554
H12C C53 3.5364 no 7_554
H13A C5A 3.4389 no 7_555
H13A C6A 2.9893 no 7_555
H13A C7A 2.8991 no 7_555
H13A C8A 3.2839 no 7_555
H13A C12A 3.4581 no 7_555
H13A H11B 3.4283 no 7_555
H13A H12A 3.1659 no 7_555
H14B O9A 3.4867 no 7_555
H14B C7A 3.4069 no 7_555
H14B C8A 3.3433 no 7_555
H14B C12A 3.3983 no 7_555
H14B C15A 3.1846 no 7_555
H14B C46A 3.4115 no 7_555
H14B H12A 2.6219 no 7_555
H14B H15A 3.2812 no 7_555
H14B H15B 2.5549 no 7_555
H14C O9A 2.5667 no 7_555
H14C C15A 3.2929 no 7_555
H14C C45A 3.2153 no 7_555
H14C C46A 3.3542 no 7_555
H14C C47A 2.6706 no 7_555
H14C H15A 3.0229 no 7_555
H14C H15B 2.6995 no 7_555
H15A O9A 3.2394 no .
H15A C4A 3.3535 no 7_555
H15A C5A 3.1942 no 7_555
H15A C10A 3.1869 no 7_555
H15A C14A 3.3406 no 7_555
H15A H4B 2.6973 no 7_555
H15A H14B 3.2812 no 7_555
H15A H14C 3.0229 no 7_555
H15B O9A 2.5484 no .
H15B C10A 3.4850 no 7_555
H15B C14A 2.9808 no 7_555
H15B C45A 3.5328 no .
H15B C46A 3.4910 no .
H15B C47A 3.5270 no .
H15B H4B 3.3809 no 7_555
H15B H14B 2.5549 no 7_555
H15B H14C 2.6995 no 7_555
H16 O2 2.9354 no .
H16 O3 2.7053 no .
H16 C19 2.9934 no .
H17 O9A 2.8243 no .
H17 C17A 3.1447 no 2_554
H17 C18A 3.3592 no 2_554
H17 C47A 3.3437 no .
H17 C48A 2.8689 no .
H17 C48A 3.0346 no 2_554
H17 H17 2.4824 no 2_554
H17 H18 2.9486 no 2_554
H18 O5 2.9701 no 3_555
H18 O6 3.5522 no 2_555
H18 O7 2.6084 no 2_555
H18 C17A 3.1488 no 2_554
H18 C18A 2.9931 no 2_554
H18 C22 3.1274 no 2_555
H18 C22 3.2643 no 3_555
H18 H17 2.9486 no 2_554
H18 H18 2.5841 no 2_554
H20A O5 3.3474 no 4_555
H20A O7 3.2899 no .
H20A C45A 3.5993 no 1_556
H20B O5 3.4504 no 4_555
H20B O7 3.2447 no .
H21A Cu3 3.0182 no .
H21A O1 3.5091 no .
H21A O2 2.7378 no 2_555
H21A C19 3.3492 no 2_555
H21B Cu3 3.1101 no .
H21B O1 2.7618 no .
H21B C19 3.3616 no .
H21C O11B 3.4539 no 1_556
H23 O1 2.9958 no .
H23 O3 2.6142 no .
H23 C19 3.0313 no .
H24 O11B 3.4825 no 7_555
H24 C42 3.4249 no 2_656
H24 C44 3.2770 no 3_656
H24 C49B 3.0241 no 7_555
H24 C50B 2.5243 no 7_555
H25 O5 2.5345 no 4_555
H25 O7 2.7048 no .
H25 C22 3.4613 no .
H26A O10B 2.4359 no 8_556
H26A C41 3.4847 no .
H26A C41 3.1283 no 2_656
H26A C42 2.7029 no .
H26A C42 2.8367 no 2_656
H26A C44 3.5372 no 4_555
H26A C49B 3.3473 no 8_556
H26A H35B 3.4223 no 7_555
H26B O10B 2.8331 no 8_556
H26B H35B 3.0649 no 7_555
H26B H37A 2.6659 no 7_555
H33A O8 3.3473 no 2_656
H33A C41 3.2602 no 2_656
H33A C43 3.3766 no .
H33A C43 3.0389 no 4_555
H33A C44 3.2459 no 4_555
H33B O10B 2.7354 no 8_556
H33B O11B 3.4840 no 8_556
H33B C41 3.2775 no 2_656
H33B C42 3.4046 no .
H33B C43 3.4921 no 4_555
H33B C44 2.9484 no 4_555
H33B H35B 3.5309 no 7_555
H33C O12 3.5763 no 2_656
H33C C53 3.4346 no 7_554
H34A O13 3.4915 no 7_554
H34A O13 3.5226 no 8_556
H34A C53 3.4485 no 7_554
H34A C53 3.5179 no 8_556
H34A H36C 3.0698 no 7_555
H34B O6 3.4055 no 1_554
H34C C53 3.2277 no 7_554
H34C C54 3.4101 no 7_554
H35A O10B 3.0880 no 2_554
H35B O10B 2.5498 no 2_554
H35B C26B 3.3196 no 7_555
H35B C27B 2.8225 no 7_555
H35B C28B 3.1444 no 7_555
H35B C31B 3.5192 no 7_555
H35B C32B 3.0400 no 7_555
H35B H26A 3.4223 no 7_555
H35B H26B 3.0649 no 7_555
H35B H33B 3.5309 no 7_555
H35B H36C 3.5111 no 7_555
H35C O10B 3.5750 no 2_554
H36A H37A 2.9504 no 7_555
H36C C29B 3.2829 no 7_555
H36C C30B 2.8566 no 7_555
H36C C31B 3.4574 no 7_555
H36C C37B 2.7465 no 7_555
H36C H34A 3.0698 no 7_555
H36C H35B 3.5111 no 7_555
H36C H37A 2.3347 no 7_555
H36C H37B 2.6955 no 7_555
H37A O10B 3.4756 no 2_554
H37A C26B 3.4852 no 7_555
H37A C27B 3.5890 no 7_555
H37A C32B 3.3092 no 7_555
H37A C36B 2.9436 no 7_555
H37A H26B 2.6659 no 7_555
H37A H36A 2.9504 no 7_555
H37A H36C 2.3347 no 7_555
H37B C36B 3.5689 no 7_555
H37B H36C 2.6955 no 7_555
H38 O2 2.8941 no .
H38 O3 2.5019 no .
H38 C19 2.9122 no .
H39 O10B 3.5195 no 2_554
H39 C39B 3.4534 no 2_554
H39 C40B 3.2863 no 2_554
H39 H39 3.0121 no 2_554
H39 H40 2.6357 no 2_554
H40 O5 2.9634 no 3_555
H40 O7 2.5726 no 2_555
H40 C22 3.2450 no 2_555
H40 C22 3.4019 no 3_555
H40 C39B 3.0430 no 2_554
H40 C40B 3.1835 no 2_554
H40 H39 2.6357 no 2_554
H40 H40 2.9446 no 2_554
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O4 Cu1 O4 Cu2 7.62(10) no . 4_555 .
O4 Cu1 O4 C20 168.59(17) no . 4_555 4_555
O4 Cu1 O4 Cu2 -7.62(10) no 4_555 . .
O4 Cu1 O4 C20 -168.59(17) no 4_555 . .
O4 Cu1 N1 C1A -111.7(3) no . . .
O4 Cu1 N1 C3A 80.0(3) no . . .
O4 Cu1 N1 C23B -112.6(3) no . . .
O4 Cu1 N1 C25B 61.2(2) no . . .
N1 Cu1 O4 Cu2 -174.06(12) no . . .
N1 Cu1 O4 C20 24.97(17) no . . .
O4 Cu1 N1 C1A 111.7(3) no 4_555 4_555 4_555
O4 Cu1 N1 C3A -80.0(3) no 4_555 4_555 4_555
O4 Cu1 N1 C23B 112.6(3) no 4_555 4_555 4_555
O4 Cu1 N1 C25B -61.2(2) no 4_555 4_555 4_555
N1 Cu1 O4 Cu2 174.06(12) no 4_555 4_555 .
N1 Cu1 O4 C20 -24.97(17) no 4_555 4_555 4_555
N1 Cu1 N1 C1A -83.4(3) no . 4_555 4_555
N1 Cu1 N1 C3A 84.9(3) no . 4_555 4_555
N1 Cu1 N1 C23B -82.6(3) no . 4_555 4_555
N1 Cu1 N1 C25B 103.6(3) no . 4_555 4_555
N1 Cu1 N1 C1A 83.4(3) no 4_555 . .
N1 Cu1 N1 C3A -84.9(3) no 4_555 . .
N1 Cu1 N1 C23B 82.6(3) no 4_555 . .
N1 Cu1 N1 C25B -103.6(3) no 4_555 . .
O4 Cu2 O4 Cu1 -7.61(10) no . 4_555 .
O4 Cu2 O4 C20 -168.5(3) no . 4_555 4_555
O4 Cu2 O4 Cu1 7.61(10) no 4_555 . .
O4 Cu2 O4 C20 168.5(3) no 4_555 . .
O4 Cu2 N3 C16A 97.9(3) no . 2_555 2_555
O4 Cu2 N3 C18A -70.0(3) no . 2_555 2_555
O4 Cu2 N3 C38B 116.9(3) no . 2_555 2_555
O4 Cu2 N3 C40B -66.4(3) no . 2_555 2_555
N3 Cu2 O4 Cu1 174.25(11) no 2_555 . .
N3 Cu2 O4 C20 -24.9(2) no 2_555 . .
O4 Cu2 N3 C16A -97.9(3) no 4_555 3_555 3_555
O4 Cu2 N3 C18A 70.0(3) no 4_555 3_555 3_555
O4 Cu2 N3 C38B -116.9(3) no 4_555 3_555 3_555
O4 Cu2 N3 C40B 66.4(3) no 4_555 3_555 3_555
N3 Cu2 O4 Cu1 -174.25(11) no 3_555 4_555 .
N3 Cu2 O4 C20 24.9(2) no 3_555 4_555 4_555
N3 Cu2 N3 C16A 97.3(3) no 2_555 3_555 3_555
N3 Cu2 N3 C18A -94.8(3) no 2_555 3_555 3_555
N3 Cu2 N3 C38B 78.3(3) no 2_555 3_555 3_555
N3 Cu2 N3 C40B -98.4(3) no 2_555 3_555 3_555
N3 Cu2 N3 C16A -97.3(3) no 3_555 2_555 2_555
N3 Cu2 N3 C18A 94.8(3) no 3_555 2_555 2_555
N3 Cu2 N3 C38B -78.3(3) no 3_555 2_555 2_555
N3 Cu2 N3 C40B 98.4(3) no 3_555 2_555 2_555
O1 Cu3 O2 C19 0.0 no . . .
O2 Cu3 O1 C19 0.0 no . . .
O1 Cu3 O2 C19 180.0 no . 2_555 2_555
O2 Cu3 O1 C19 180.0 no 2_555 . .
O1 Cu3 C19 O1 0.0 no . . .
O1 Cu3 C19 O2 180.0 no . . .
C19 Cu3 O1 C19 0.0 no . . .
O1 Cu3 C19 O1 180.0 no . 2_555 2_555
O1 Cu3 C19 O2 0.0 no . 2_555 2_555
C19 Cu3 O1 C19 180.0 no 2_555 . .
O1 Cu3 O2 C19 180.0 no 2_555 . .
O2 Cu3 O1 C19 180.0 no . 2_555 2_555
O1 Cu3 O2 C19 0.0 no 2_555 2_555 2_555
O2 Cu3 O1 C19 0.0 no 2_555 2_555 2_555
O1 Cu3 C19 O1 180.0 no 2_555 . .
O1 Cu3 C19 O2 0.0 no 2_555 . .
C19 Cu3 O1 C19 180.0 no . 2_555 2_555
O1 Cu3 C19 O1 0.0 no 2_555 2_555 2_555
O1 Cu3 C19 O2 180.0 no 2_555 2_555 2_555
C19 Cu3 O1 C19 0.0 no 2_555 2_555 2_555
O2 Cu3 C19 O1 180.0 no . . .
O2 Cu3 C19 O2 0.0 no . . .
C19 Cu3 O2 C19 0.0 no . . .
O2 Cu3 C19 O1 0.0 no . 2_555 2_555
O2 Cu3 C19 O2 180.0 no . 2_555 2_555
C19 Cu3 O2 C19 180.0 no 2_555 . .
O2 Cu3 C19 O1 0.0 no 2_555 . .
O2 Cu3 C19 O2 180.0 no 2_555 . .
C19 Cu3 O2 C19 180.0 no . 2_555 2_555
O2 Cu3 C19 O1 180.0 no 2_555 2_555 2_555
O2 Cu3 C19 O2 0.0 no 2_555 2_555 2_555
C19 Cu3 O2 C19 0.0 no 2_555 2_555 2_555
Cu3 O1 C19 Cu3 0.0 no . . .
Cu3 O1 C19 O2 0.0 no . . .
Cu3 O1 C19 O3 180.0 no . . .
Cu3 O2 C19 Cu3 0.0 no . . .
Cu3 O2 C19 O1 0.0 no . . .
Cu3 O2 C19 O3 180.0 no . . .
Cu1 O4 C20 C21 77.5(4) no . . .
Cu2 O4 C20 C21 -79.0(5) no . . .
O7 O5 C22 O5 -155(3) no 4_555 . 4_555
O7 O5 C22 O6 38(4) no 4_555 . .
O7 O5 C22 O7 -144(3) no 4_555 . .
C22 O5 O7 C22 -3.3(5) no . 4_555 4_555
C22 O5 O7 C22 -0.0(4) no . 4_555 .
O7 O5 C22 O5 -156(3) no 4_555 4_555 4_555
O7 O5 C22 O6 41(4) no 4_555 4_555 .
O7 O5 C22 O7 -0.0(17) no 4_555 4_555 4_555
O7 O5 C22 O7 -147(3) no 4_555 4_555 .
C22 O5 O7 C22 0.0(5) no 4_555 4_555 4_555
C22 O5 O7 C22 3.3(5) no 4_555 4_555 .
O5 O7 C22 O5 -28(4) no 4_555 . .
O5 O7 C22 O5 0(3) no 4_555 . 4_555
O5 O7 C22 O6 150(3) no 4_555 . .
O5 O7 C22 O7 -43(4) no 4_555 . 4_555
O5 O7 C22 O5 -28(3) no 4_555 4_555 .
O5 O7 C22 O6 146(3) no 4_555 4_555 .
O5 O7 C22 O7 -45(4) no 4_555 4_555 4_555
O8 O8 O8 O8 180(736944) no 2_656 3_656 4_555
O8 O8 O8 O8 0.0(17) no 2_656 3_656 2_656
O8 O8 O8 C41 159(3) no 2_656 3_656 3_656
O8 O8 O8 C41 -156(3) no 2_656 3_656 4_555
O8 O8 O8 C43 -71(3) no 2_656 3_656 3_656
O8 O8 O8 C43 68(2) no 2_656 3_656 4_555
O8 O8 O8 C43 109(3) no 2_656 3_656 .
O8 O8 O8 C43 -112(3) no 2_656 3_656 2_656
O8 O8 O8 C44 -118(3) no 2_656 3_656 2_656
O8 O8 O8 O8 0(3) no 3_656 2_656 4_555
O8 O8 O8 O8 0.0(14) no 3_656 2_656 3_656
O8 O8 O8 C41 -153(3) no 3_656 2_656 2_656
O8 O8 O8 C41 153(3) no 3_656 2_656 .
O8 O8 O8 C43 44.3(18) no 3_656 2_656 2_656
O8 O8 O8 C43 -44.3(18) no 3_656 2_656 .
O8 O8 O8 C43 -84(2) no 3_656 2_656 4_555
O8 O8 O8 C43 84(2) no 3_656 2_656 3_656
O8 O8 O8 C44 125(3) no 3_656 2_656 3_656
O8 O8 O8 O8 0.0(17) no 2_656 4_555 3_656
O8 O8 O8 O8 0.0(10) no 2_656 4_555 2_656
O8 O8 O8 C41 -32(3) no 2_656 4_555 4_555
O8 O8 O8 C41 43(5) no 2_656 4_555 3_656
O8 O8 O8 C43 48.9(11) no 2_656 4_555 4_555
O8 O8 O8 C43 -52.7(13) no 2_656 4_555 3_656
O8 O8 O8 C43 -52.7(15) no 2_656 4_555 2_656
O8 O8 O8 C43 48.9(18) no 2_656 4_555 .
O8 O8 O8 C44 94(3) no 2_656 4_555 .
O8 O8 O8 O8 0.0(14) no 4_555 2_656 4_555
O8 O8 O8 O8 0(3) no 4_555 2_656 3_656
O8 O8 O8 C41 -153(3) no 4_555 2_656 2_656
O8 O8 O8 C41 153(3) no 4_555 2_656 .
O8 O8 O8 C43 44.3(18) no 4_555 2_656 2_656
O8 O8 O8 C43 -44.3(18) no 4_555 2_656 .
O8 O8 O8 C43 -84(2) no 4_555 2_656 4_555
O8 O8 O8 C43 84(2) no 4_555 2_656 3_656
O8 O8 O8 C44 125(2) no 4_555 2_656 3_656
O8 O8 C41 O8 0.0(11) no 2_656 . 2_656
O8 O8 C41 C41 -86.7(16) no 2_656 . 2_656
O8 O8 C41 C42 -117(3) no 2_656 . .
O8 O8 C41 C42 -126(3) no 2_656 . 2_656
O8 O8 C41 C43 56.6(15) no 2_656 . 2_656
O8 O8 C41 C43 66.0(16) no 2_656 . 3_656
O8 O8 C41 C43 -39.4(16) no 2_656 . 4_555
O8 O8 C41 C44 67(3) no 2_656 . 3_656
C41 O8 O8 O8 -153(3) no . 2_656 4_555
C41 O8 O8 O8 -153(3) no . 2_656 3_656
C41 O8 O8 C41 53.2(17) no . 2_656 2_656
C41 O8 O8 C41 0.0(16) no . 2_656 .
C41 O8 O8 C43 -109(2) no . 2_656 2_656
C41 O8 O8 C43 162(2) no . 2_656 .
C41 O8 O8 C43 123(2) no . 2_656 4_555
C41 O8 O8 C43 -69.7(19) no . 2_656 3_656
C41 O8 O8 C44 -28.8(17) no . 2_656 3_656
O8 O8 C41 O8 -0.0(10) no 2_656 2_656 2_656
O8 O8 C41 C41 64.7(17) no 2_656 2_656 .
O8 O8 C41 C42 96(4) no 2_656 2_656 2_656
O8 O8 C41 C42 115(5) no 2_656 2_656 .
O8 O8 C41 C43 -53.8(14) no 2_656 2_656 .
O8 O8 C41 C43 -56.0(13) no 2_656 2_656 4_555
O8 O8 C41 C43 42.4(14) no 2_656 2_656 3_656
O8 O8 C41 C44 -132.0(19) no 2_656 2_656 4_555
C41 O8 O8 O8 153(3) no 2_656 2_656 4_555
C41 O8 O8 O8 153(3) no 2_656 2_656 3_656
C41 O8 O8 C41 -0.0(16) no 2_656 2_656 2_656
C41 O8 O8 C41 -53.2(17) no 2_656 2_656 .
C41 O8 O8 C43 -162(2) no 2_656 2_656 2_656
C41 O8 O8 C43 109(2) no 2_656 2_656 .
C41 O8 O8 C43 69.7(19) no 2_656 2_656 4_555
C41 O8 O8 C43 -123(2) no 2_656 2_656 3_656
C41 O8 O8 C44 -82.1(18) no 2_656 2_656 3_656
O8 O8 C43 O8 0.0(10) no 2_656 . 2_656
O8 O8 C43 O8 -39.2(13) no 2_656 . 3_656
O8 O8 C43 O8 -118(3) no 2_656 . 4_555
O8 O8 C43 C41 58.5(14) no 2_656 . 2_656
O8 O8 C43 C41 -114(3) no 2_656 . 3_656
O8 O8 C43 C41 -85.2(16) no 2_656 . 4_555
O8 O8 C43 C43 -66.1(14) no 2_656 . 2_656
O8 O8 C43 C43 -39.2(14) no 2_656 . 3_656
O8 O8 C43 C43 61.9(18) no 2_656 . 4_555
O8 O8 C43 C44 -165(3) no 2_656 . .
C43 O8 O8 O8 44.3(16) no . 2_656 4_555
C43 O8 O8 O8 44.3(16) no . 2_656 3_656
C43 O8 O8 C41 -109.0(17) no . 2_656 2_656
C43 O8 O8 C41 -162.3(18) no . 2_656 .
C43 O8 O8 C43 88.7(14) no . 2_656 2_656
C43 O8 O8 C43 0.0(12) no . 2_656 .
C43 O8 O8 C43 -39.3(13) no . 2_656 4_555
C43 O8 O8 C43 128.0(16) no . 2_656 3_656
C43 O8 O8 C44 168.9(17) no . 2_656 3_656
O8 O8 C43 O8 0.0(10) no 2_656 2_656 2_656
O8 O8 C43 O8 115.7(16) no 2_656 2_656 4_555
O8 O8 C43 O8 36.8(12) no 2_656 2_656 3_656
O8 O8 C43 C41 -50.5(12) no 2_656 2_656 .
O8 O8 C43 C41 96.5(18) no 2_656 2_656 4_555
O8 O8 C43 C41 90.2(13) no 2_656 2_656 3_656
O8 O8 C43 C43 62.2(11) no 2_656 2_656 .
O8 O8 C43 C43 36.8(13) no 2_656 2_656 4_555
O8 O8 C43 C43 -64.3(14) no 2_656 2_656 3_656
C43 O8 O8 O8 -44.3(16) no 2_656 2_656 4_555
C43 O8 O8 O8 -44.3(16) no 2_656 2_656 3_656
C43 O8 O8 C41 162.3(18) no 2_656 2_656 2_656
C43 O8 O8 C41 109.0(17) no 2_656 2_656 .
C43 O8 O8 C43 -0.0(12) no 2_656 2_656 2_656
C43 O8 O8 C43 -88.7(14) no 2_656 2_656 .
C43 O8 O8 C43 -128.0(16) no 2_656 2_656 4_555
C43 O8 O8 C43 39.3(13) no 2_656 2_656 3_656
C43 O8 O8 C44 80.2(15) no 2_656 2_656 3_656
O8 O8 C43 O8 42.6(9) no 2_656 3_656 3_656
O8 O8 C43 O8 93.8(14) no 2_656 3_656 4_555
O8 O8 C43 O8 0.0(8) no 2_656 3_656 2_656
O8 O8 C43 C41 83.8(12) no 2_656 3_656 4_555
O8 O8 C43 C41 -69.3(11) no 2_656 3_656 .
O8 O8 C43 C41 -49.7(13) no 2_656 3_656 2_656
O8 O8 C43 C43 9.7(15) no 2_656 3_656 4_555
O8 O8 C43 C43 42.6(13) no 2_656 3_656 .
O8 O8 C43 C43 93.8(18) no 2_656 3_656 2_656
O8 O8 C43 C44 -69.8(17) no 2_656 3_656 3_656
C43 O8 O8 O8 -84(2) no 3_656 2_656 4_555
C43 O8 O8 O8 -84(2) no 3_656 2_656 3_656
C43 O8 O8 C41 123.0(18) no 3_656 2_656 2_656
C43 O8 O8 C41 69.7(16) no 3_656 2_656 .
C43 O8 O8 C43 -39.3(14) no 3_656 2_656 2_656
C43 O8 O8 C43 -128.0(17) no 3_656 2_656 .
C43 O8 O8 C43 -167.3(19) no 3_656 2_656 4_555
C43 O8 O8 C43 -0.0(13) no 3_656 2_656 3_656
C43 O8 O8 C44 40.9(15) no 3_656 2_656 3_656
O8 O8 C43 O8 -94.2(19) no 2_656 4_555 4_555
O8 O8 C43 O8 -44.4(12) no 2_656 4_555 3_656
O8 O8 C43 O8 -0.0(8) no 2_656 4_555 2_656
O8 O8 C43 C41 -91.8(14) no 2_656 4_555 3_656
O8 O8 C43 C41 81.8(15) no 2_656 4_555 2_656
O8 O8 C43 C41 43.3(14) no 2_656 4_555 .
O8 O8 C43 C43 -10.3(15) no 2_656 4_555 3_656
O8 O8 C43 C43 -44.4(15) no 2_656 4_555 2_656
O8 O8 C43 C43 -94(3) no 2_656 4_555 .
O8 O8 C43 C44 129.6(16) no 2_656 4_555 4_555
C43 O8 O8 O8 84(2) no 4_555 2_656 4_555
C43 O8 O8 O8 84(2) no 4_555 2_656 3_656
C43 O8 O8 C41 -69.7(16) no 4_555 2_656 2_656
C43 O8 O8 C41 -123.0(18) no 4_555 2_656 .
C43 O8 O8 C43 128.0(17) no 4_555 2_656 2_656
C43 O8 O8 C43 39.3(14) no 4_555 2_656 .
C43 O8 O8 C43 0.0(13) no 4_555 2_656 4_555
C43 O8 O8 C43 167.3(19) no 4_555 2_656 3_656
C43 O8 O8 C44 -151.8(18) no 4_555 2_656 3_656
O8 O8 C44 C41 42.1(12) no 2_656 4_555 2_656
O8 O8 C44 C42 68.6(12) no 2_656 4_555 .
O8 O8 C44 C43 -35.7(10) no 2_656 4_555 4_555
C44 O8 O8 O8 125(2) no 4_555 2_656 4_555
C44 O8 O8 O8 124.6(17) no 4_555 2_656 3_656
C44 O8 O8 C41 -28.8(9) no 4_555 2_656 2_656
C44 O8 O8 C41 -82.1(12) no 4_555 2_656 .
C44 O8 O8 C43 168.9(14) no 4_555 2_656 2_656
C44 O8 O8 C43 80.2(13) no 4_555 2_656 .
C44 O8 O8 C43 40.9(11) no 4_555 2_656 4_555
C44 O8 O8 C43 -151.8(14) no 4_555 2_656 3_656
C44 O8 O8 C44 -110.9(12) no 4_555 2_656 3_656
O8 O8 O8 O8 0.0(10) no 3_656 4_555 3_656
O8 O8 O8 O8 0.0(17) no 3_656 4_555 2_656
O8 O8 O8 C41 -32(2) no 3_656 4_555 4_555
O8 O8 O8 C41 43(4) no 3_656 4_555 3_656
O8 O8 O8 C43 48.9(18) no 3_656 4_555 4_555
O8 O8 O8 C43 -52.7(15) no 3_656 4_555 3_656
O8 O8 O8 C43 -52.7(13) no 3_656 4_555 2_656
O8 O8 O8 C43 48.9(11) no 3_656 4_555 .
O8 O8 O8 C44 94.2(18) no 3_656 4_555 .
O8 O8 O8 O8 0.0(17) no 4_555 3_656 4_555
O8 O8 O8 O8 180(736944) no 4_555 3_656 2_656
O8 O8 O8 C41 -21(2) no 4_555 3_656 3_656
O8 O8 O8 C41 24(3) no 4_555 3_656 4_555
O8 O8 O8 C43 109(3) no 4_555 3_656 3_656
O8 O8 O8 C43 -112(3) no 4_555 3_656 4_555
O8 O8 O8 C43 -71(3) no 4_555 3_656 .
O8 O8 O8 C43 68(2) no 4_555 3_656 2_656
O8 O8 O8 C44 62(3) no 4_555 3_656 2_656
O8 O8 C41 O8 -14.8(11) no 3_656 . 2_656
O8 O8 C41 C41 -101.5(14) no 3_656 . 2_656
O8 O8 C41 C42 -132.1(15) no 3_656 . .
O8 O8 C41 C42 -141(3) no 3_656 . 2_656
O8 O8 C41 C43 41.8(9) no 3_656 . 2_656
O8 O8 C41 C43 51.1(11) no 3_656 . 3_656
O8 O8 C41 C43 -54.2(10) no 3_656 . 4_555
O8 O8 C41 C44 52(3) no 3_656 . 3_656
C41 O8 O8 O8 -159(3) no . 3_656 4_555
C41 O8 O8 O8 21.5(17) no . 3_656 2_656
C41 O8 O8 C41 -180(898025) no . 3_656 3_656
C41 O8 O8 C41 -134.6(19) no . 3_656 4_555
C41 O8 O8 C43 -49.6(15) no . 3_656 3_656
C41 O8 O8 C43 89.4(15) no . 3_656 4_555
C41 O8 O8 C43 130.4(17) no . 3_656 .
C41 O8 O8 C43 -90.6(18) no . 3_656 2_656
C41 O8 O8 C44 -96.2(17) no . 3_656 2_656
O8 O8 C41 O8 14.9(13) no 3_656 2_656 2_656
O8 O8 C41 C41 79.6(16) no 3_656 2_656 .
O8 O8 C41 C42 111(3) no 3_656 2_656 2_656
O8 O8 C41 C42 130(4) no 3_656 2_656 .
O8 O8 C41 C43 -38.9(10) no 3_656 2_656 .
O8 O8 C41 C43 -41.2(15) no 3_656 2_656 4_555
O8 O8 C41 C43 57.3(13) no 3_656 2_656 3_656
O8 O8 C41 C44 -117.1(17) no 3_656 2_656 4_555
C41 O8 O8 O8 156(3) no 2_656 3_656 4_555
C41 O8 O8 O8 -24(2) no 2_656 3_656 2_656
C41 O8 O8 C41 135(2) no 2_656 3_656 3_656
C41 O8 O8 C41 -180(999406) no 2_656 3_656 4_555
C41 O8 O8 C43 -95(2) no 2_656 3_656 3_656
C41 O8 O8 C43 43.9(18) no 2_656 3_656 4_555
C41 O8 O8 C43 85(2) no 2_656 3_656 .
C41 O8 O8 C43 -136(3) no 2_656 3_656 2_656
C41 O8 O8 C44 -142(2) no 2_656 3_656 2_656
O8 O8 C43 O8 39.2(11) no 3_656 . 2_656
O8 O8 C43 O8 0.0(8) no 3_656 . 3_656
O8 O8 C43 O8 -78.9(18) no 3_656 . 4_555
O8 O8 C43 C41 97.6(17) no 3_656 . 2_656
O8 O8 C43 C41 -75(3) no 3_656 . 3_656
O8 O8 C43 C41 -46.1(12) no 3_656 . 4_555
O8 O8 C43 C43 -26.9(12) no 3_656 . 2_656
O8 O8 C43 C43 -0.0(15) no 3_656 . 3_656
O8 O8 C43 C43 101(3) no 3_656 . 4_555
O8 O8 C43 C44 -126(3) no 3_656 . .
C43 O8 O8 O8 71.1(18) no . 3_656 4_555
C43 O8 O8 O8 -108.9(19) no . 3_656 2_656
C43 O8 O8 C41 49.6(14) no . 3_656 3_656
C43 O8 O8 C41 95.0(18) no . 3_656 4_555
C43 O8 O8 C43 180(724745) no . 3_656 3_656
C43 O8 O8 C43 -41.1(14) no . 3_656 4_555
C43 O8 O8 C43 -0.0(12) no . 3_656 .
C43 O8 O8 C43 138.9(18) no . 3_656 2_656
C43 O8 O8 C44 133.4(18) no . 3_656 2_656
O8 O8 C43 O8 -36.8(13) no 3_656 2_656 2_656
O8 O8 C43 O8 78.9(17) no 3_656 2_656 4_555
O8 O8 C43 O8 0.0(10) no 3_656 2_656 3_656
O8 O8 C43 C41 -87.3(16) no 3_656 2_656 .
O8 O8 C43 C41 59.8(17) no 3_656 2_656 4_555
O8 O8 C43 C41 53.5(14) no 3_656 2_656 3_656
O8 O8 C43 C43 25.4(14) no 3_656 2_656 .
O8 O8 C43 C43 0.0(18) no 3_656 2_656 4_555
O8 O8 C43 C43 -101.1(18) no 3_656 2_656 3_656
C43 O8 O8 O8 -67.9(18) no 2_656 3_656 4_555
C43 O8 O8 O8 112(3) no 2_656 3_656 2_656
C43 O8 O8 C41 -89.4(17) no 2_656 3_656 3_656
C43 O8 O8 C41 -43.9(17) no 2_656 3_656 4_555
C43 O8 O8 C43 41.1(17) no 2_656 3_656 3_656
C43 O8 O8 C43 -180(809230) no 2_656 3_656 4_555
C43 O8 O8 C43 -139(2) no 2_656 3_656 .
C43 O8 O8 C43 0.0(15) no 2_656 3_656 2_656
C43 O8 O8 C44 -5.5(17) no 2_656 3_656 2_656
O8 O8 C43 O8 0.0(6) no 3_656 3_656 3_656
O8 O8 C43 O8 51.3(11) no 3_656 3_656 4_555
O8 O8 C43 O8 -42.6(8) no 3_656 3_656 2_656
O8 O8 C43 C41 41.2(8) no 3_656 3_656 4_555
O8 O8 C43 C41 -111.9(12) no 3_656 3_656 .
O8 O8 C43 C41 -92.3(12) no 3_656 3_656 2_656
O8 O8 C43 C43 -32.8(13) no 3_656 3_656 4_555
O8 O8 C43 C43 0.0(11) no 3_656 3_656 .
O8 O8 C43 C43 51.3(13) no 3_656 3_656 2_656
O8 O8 C43 C44 -112(2) no 3_656 3_656 3_656
C43 O8 O8 O8 -108.9(19) no 3_656 3_656 4_555
C43 O8 O8 O8 71.1(18) no 3_656 3_656 2_656
C43 O8 O8 C41 -130.4(16) no 3_656 3_656 3_656
C43 O8 O8 C41 -85.0(18) no 3_656 3_656 4_555
C43 O8 O8 C43 0.0(12) no 3_656 3_656 3_656
C43 O8 O8 C43 138.9(18) no 3_656 3_656 4_555
C43 O8 O8 C43 -180(991445) no 3_656 3_656 .
C43 O8 O8 C43 -41.1(14) no 3_656 3_656 2_656
C43 O8 O8 C44 -46.6(17) no 3_656 3_656 2_656
O8 O8 C43 O8 -49.8(17) no 3_656 4_555 4_555
O8 O8 C43 O8 0.0(8) no 3_656 4_555 3_656
O8 O8 C43 O8 44.4(12) no 3_656 4_555 2_656
O8 O8 C43 C41 -47.5(10) no 3_656 4_555 3_656
O8 O8 C43 C41 126.1(19) no 3_656 4_555 2_656
O8 O8 C43 C41 87.6(15) no 3_656 4_555 .
O8 O8 C43 C43 34.1(16) no 3_656 4_555 3_656
O8 O8 C43 C43 -0.0(15) no 3_656 4_555 2_656
O8 O8 C43 C43 -49.8(19) no 3_656 4_555 .
O8 O8 C43 C44 173.9(18) no 3_656 4_555 4_555
C43 O8 O8 O8 112(3) no 4_555 3_656 4_555
C43 O8 O8 O8 -67.9(18) no 4_555 3_656 2_656
C43 O8 O8 C41 91(2) no 4_555 3_656 3_656
C43 O8 O8 C41 136(3) no 4_555 3_656 4_555
C43 O8 O8 C43 -139(2) no 4_555 3_656 3_656
C43 O8 O8 C43 -0.0(15) no 4_555 3_656 4_555
C43 O8 O8 C43 41.1(17) no 4_555 3_656 .
C43 O8 O8 C43 180(923776) no 4_555 3_656 2_656
C43 O8 O8 C44 174(2) no 4_555 3_656 2_656
O8 O8 C44 C41 72.5(15) no 3_656 4_555 2_656
O8 O8 C44 C42 99.0(14) no 3_656 4_555 .
O8 O8 C44 C43 -5.3(12) no 3_656 4_555 4_555
C44 O8 O8 O8 118(3) no 4_555 3_656 4_555
C44 O8 O8 O8 -62.4(18) no 4_555 3_656 2_656
C44 O8 O8 C41 96.2(16) no 4_555 3_656 3_656
C44 O8 O8 C41 141.6(16) no 4_555 3_656 4_555
C44 O8 O8 C43 -133.4(17) no 4_555 3_656 3_656
C44 O8 O8 C43 5.5(12) no 4_555 3_656 4_555
C44 O8 O8 C43 46.6(15) no 4_555 3_656 .
C44 O8 O8 C43 -174.5(18) no 4_555 3_656 2_656
C44 O8 O8 C44 180(908841) no 4_555 3_656 2_656
O8 O8 C41 O8 -41(3) no 4_555 . 2_656
O8 O8 C41 C41 -128(3) no 4_555 . 2_656
O8 O8 C41 C42 -158(3) no 4_555 . .
O8 O8 C41 C42 -167(3) no 4_555 . 2_656
O8 O8 C41 C43 16(3) no 4_555 . 2_656
O8 O8 C41 C43 25(3) no 4_555 . 3_656
O8 O8 C41 C43 -80(3) no 4_555 . 4_555
O8 O8 C41 C44 26(4) no 4_555 . 3_656
C41 O8 O8 O8 32(4) no . 4_555 3_656
C41 O8 O8 O8 32(3) no . 4_555 2_656
C41 O8 O8 C41 0(5) no . 4_555 4_555
C41 O8 O8 C41 75(7) no . 4_555 3_656
C41 O8 O8 C43 81(3) no . 4_555 4_555
C41 O8 O8 C43 -20(3) no . 4_555 3_656
C41 O8 O8 C43 -20(3) no . 4_555 2_656
C41 O8 O8 C43 81(4) no . 4_555 .
C41 O8 O8 C44 127(3) no . 4_555 .
O8 O8 C41 O8 49(6) no 4_555 2_656 2_656
O8 O8 C41 C41 114(6) no 4_555 2_656 .
O8 O8 C41 C42 146(5) no 4_555 2_656 2_656
O8 O8 C41 C42 164(5) no 4_555 2_656 .
O8 O8 C41 C43 -5(5) no 4_555 2_656 .
O8 O8 C41 C43 -7(6) no 4_555 2_656 4_555
O8 O8 C41 C43 92(6) no 4_555 2_656 3_656
O8 O8 C41 C44 -83(6) no 4_555 2_656 4_555
C41 O8 O8 O8 -43(6) no 2_656 4_555 3_656
C41 O8 O8 O8 -43(5) no 2_656 4_555 2_656
C41 O8 O8 C41 -75(7) no 2_656 4_555 4_555
C41 O8 O8 C41 0(9) no 2_656 4_555 3_656
C41 O8 O8 C43 6(5) no 2_656 4_555 4_555
C41 O8 O8 C43 -96(6) no 2_656 4_555 3_656
C41 O8 O8 C43 -96(6) no 2_656 4_555 2_656
C41 O8 O8 C43 6(6) no 2_656 4_555 .
C41 O8 O8 C44 51(7) no 2_656 4_555 .
O8 O8 C43 O8 118(3) no 4_555 . 2_656
O8 O8 C43 O8 79(3) no 4_555 . 3_656
O8 O8 C43 O8 0.0(19) no 4_555 . 4_555
O8 O8 C43 C41 177(3) no 4_555 . 2_656
O8 O8 C43 C41 4(3) no 4_555 . 3_656
O8 O8 C43 C41 33(3) no 4_555 . 4_555
O8 O8 C43 C43 52(3) no 4_555 . 2_656
O8 O8 C43 C43 79(3) no 4_555 . 3_656
O8 O8 C43 C43 180(894582) no 4_555 . 4_555
O8 O8 C43 C44 -47(3) no 4_555 . .
C43 O8 O8 O8 -48.9(16) no . 4_555 3_656
C43 O8 O8 O8 -49(2) no . 4_555 2_656
C43 O8 O8 C41 -81(3) no . 4_555 4_555
C43 O8 O8 C41 -6(4) no . 4_555 3_656
C43 O8 O8 C43 0(2) no . 4_555 4_555
C43 O8 O8 C43 -102(2) no . 4_555 3_656
C43 O8 O8 C43 -102(2) no . 4_555 2_656
C43 O8 O8 C43 0.0(15) no . 4_555 .
C43 O8 O8 C44 45.3(19) no . 4_555 .
O8 O8 C43 O8 -115.7(17) no 4_555 2_656 2_656
O8 O8 C43 O8 0.0(11) no 4_555 2_656 4_555
O8 O8 C43 O8 -78.9(18) no 4_555 2_656 3_656
O8 O8 C43 C41 -166.2(17) no 4_555 2_656 .
O8 O8 C43 C41 -19.2(17) no 4_555 2_656 4_555
O8 O8 C43 C41 -25.4(13) no 4_555 2_656 3_656
O8 O8 C43 C43 -53.5(14) no 4_555 2_656 .
O8 O8 C43 C43 -78.9(18) no 4_555 2_656 4_555
O8 O8 C43 C43 180(620506) no 4_555 2_656 3_656
C43 O8 O8 O8 52.7(13) no 2_656 4_555 3_656
C43 O8 O8 O8 52.7(15) no 2_656 4_555 2_656
C43 O8 O8 C41 20(3) no 2_656 4_555 4_555
C43 O8 O8 C41 96(5) no 2_656 4_555 3_656
C43 O8 O8 C43 101.6(16) no 2_656 4_555 4_555
C43 O8 O8 C43 0.0(13) no 2_656 4_555 3_656
C43 O8 O8 C43 0.0(9) no 2_656 4_555 2_656
C43 O8 O8 C43 101.6(16) no 2_656 4_555 .
C43 O8 O8 C44 147(3) no 2_656 4_555 .
O8 O8 C43 O8 -51.3(13) no 4_555 3_656 3_656
O8 O8 C43 O8 0.0(9) no 4_555 3_656 4_555
O8 O8 C43 O8 -93.8(14) no 4_555 3_656 2_656
O8 O8 C43 C41 -10.1(13) no 4_555 3_656 4_555
O8 O8 C43 C41 -163.1(15) no 4_555 3_656 .
O8 O8 C43 C41 -143.5(17) no 4_555 3_656 2_656
O8 O8 C43 C43 -84.1(15) no 4_555 3_656 4_555
O8 O8 C43 C43 -51.3(11) no 4_555 3_656 .
O8 O8 C43 C43 -0.0(18) no 4_555 3_656 2_656
O8 O8 C43 C44 -163.6(18) no 4_555 3_656 3_656
C43 O8 O8 O8 52.7(15) no 3_656 4_555 3_656
C43 O8 O8 O8 52.7(13) no 3_656 4_555 2_656
C43 O8 O8 C41 20(3) no 3_656 4_555 4_555
C43 O8 O8 C41 96(5) no 3_656 4_555 3_656
C43 O8 O8 C43 101.6(16) no 3_656 4_555 4_555
C43 O8 O8 C43 0.0(9) no 3_656 4_555 3_656
C43 O8 O8 C43 0.0(13) no 3_656 4_555 2_656
C43 O8 O8 C43 101.6(16) no 3_656 4_555 .
C43 O8 O8 C44 146.9(18) no 3_656 4_555 .
O8 O8 C43 O8 0.0(15) no 4_555 4_555 4_555
O8 O8 C43 O8 50(3) no 4_555 4_555 3_656
O8 O8 C43 O8 94(3) no 4_555 4_555 2_656
O8 O8 C43 C41 2(2) no 4_555 4_555 3_656
O8 O8 C43 C41 176(3) no 4_555 4_555 2_656
O8 O8 C43 C41 137(3) no 4_555 4_555 .
O8 O8 C43 C43 84(3) no 4_555 4_555 3_656
O8 O8 C43 C43 49.8(18) no 4_555 4_555 2_656
O8 O8 C43 C43 -0(3) no 4_555 4_555 .
O8 O8 C43 C44 -136(3) no 4_555 4_555 4_555
C43 O8 O8 O8 -49(2) no 4_555 4_555 3_656
C43 O8 O8 O8 -48.9(16) no 4_555 4_555 2_656
C43 O8 O8 C41 -81(4) no 4_555 4_555 4_555
C43 O8 O8 C41 -6(6) no 4_555 4_555 3_656
C43 O8 O8 C43 0.0(15) no 4_555 4_555 4_555
C43 O8 O8 C43 -102(2) no 4_555 4_555 3_656
C43 O8 O8 C43 -102(2) no 4_555 4_555 2_656
C43 O8 O8 C43 0(2) no 4_555 4_555 .
C43 O8 O8 C44 45(3) no 4_555 4_555 .
O8 O8 C44 C41 135(3) no 4_555 4_555 2_656
O8 O8 C44 C42 161(2) no 4_555 4_555 .
O8 O8 C44 C43 57(2) no 4_555 4_555 4_555
C44 O8 O8 O8 -94(3) no 4_555 4_555 3_656
C44 O8 O8 O8 -94.2(18) no 4_555 4_555 2_656
C44 O8 O8 C41 -127(3) no 4_555 4_555 4_555
C44 O8 O8 C41 -51(6) no 4_555 4_555 3_656
C44 O8 O8 C43 -45.3(15) no 4_555 4_555 4_555
C44 O8 O8 C43 -147(3) no 4_555 4_555 3_656
C44 O8 O8 C43 -146.9(18) no 4_555 4_555 2_656
C44 O8 O8 C43 -45(3) no 4_555 4_555 .
C44 O8 O8 C44 0(3) no 4_555 4_555 .
C41 O8 C41 O8 -64.7(19) no . 2_656 2_656
C41 O8 C41 C41 -0.0(13) no . 2_656 .
C41 O8 C41 C42 32(3) no . 2_656 2_656
C41 O8 C41 C42 51(4) no . 2_656 .
C41 O8 C41 C43 -119(2) no . 2_656 .
C41 O8 C41 C43 -121(3) no . 2_656 4_555
C41 O8 C41 C43 -22.3(18) no . 2_656 3_656
C41 O8 C41 C44 163(3) no . 2_656 4_555
C41 O8 C41 O8 86.7(18) no 2_656 . 2_656
C41 O8 C41 C41 -0.0(14) no 2_656 . 2_656
C41 O8 C41 C42 -30.6(18) no 2_656 . .
C41 O8 C41 C42 -40(3) no 2_656 . 2_656
C41 O8 C41 C43 143.3(19) no 2_656 . 2_656
C41 O8 C41 C43 153(3) no 2_656 . 3_656
C41 O8 C41 C43 47.3(19) no 2_656 . 4_555
C41 O8 C41 C44 153(3) no 2_656 . 3_656
C41 O8 C43 O8 -15(2) no . . 2_656
C41 O8 C43 O8 -55(3) no . . 3_656
C41 O8 C43 O8 -134(3) no . . 4_555
C41 O8 C43 C41 43.0(16) no . . 2_656
C41 O8 C43 C41 -130(3) no . . 3_656
C41 O8 C43 C41 -101(2) no . . 4_555
C41 O8 C43 C43 -82(3) no . . 2_656
C41 O8 C43 C43 -55(2) no . . 3_656
C41 O8 C43 C43 46(3) no . . 4_555
C41 O8 C43 C44 179(2) no . . .
C43 O8 C41 O8 16(2) no . . 2_656
C43 O8 C41 C41 -70(2) no . . 2_656
C43 O8 C41 C42 -101(2) no . . .
C43 O8 C41 C42 -110(3) no . . 2_656
C43 O8 C41 C43 72.8(18) no . . 2_656
C43 O8 C41 C43 82(2) no . . 3_656
C43 O8 C41 C43 -23.2(14) no . . 4_555
C43 O8 C41 C44 83(3) no . . 3_656
C41 O8 C43 O8 50.5(11) no . 2_656 2_656
C41 O8 C43 O8 166.2(16) no . 2_656 4_555
C41 O8 C43 O8 87.3(15) no . 2_656 3_656
C41 O8 C43 C41 -0.0(9) no . 2_656 .
C41 O8 C43 C41 147.1(17) no . 2_656 4_555
C41 O8 C43 C41 140.8(12) no . 2_656 3_656
C41 O8 C43 C43 112.7(12) no . 2_656 .
C41 O8 C43 C43 87.3(14) no . 2_656 4_555
C41 O8 C43 C43 -13.8(14) no . 2_656 3_656
C43 O8 C41 O8 -56.6(13) no 2_656 . 2_656
C43 O8 C41 C41 -143.3(15) no 2_656 . 2_656
C43 O8 C41 C42 -173.9(15) no 2_656 . .
C43 O8 C41 C42 177(2) no 2_656 . 2_656
C43 O8 C41 C43 0.0(8) no 2_656 . 2_656
C43 O8 C41 C43 9.4(10) no 2_656 . 3_656
C43 O8 C41 C43 -96.0(14) no 2_656 . 4_555
C43 O8 C41 C44 10(3) no 2_656 . 3_656
C41 O8 C43 O8 111.9(15) no . 3_656 3_656
C41 O8 C43 O8 163.1(16) no . 3_656 4_555
C41 O8 C43 O8 69.3(13) no . 3_656 2_656
C41 O8 C43 C41 153.1(15) no . 3_656 4_555
C41 O8 C43 C41 -0.0(11) no . 3_656 .
C41 O8 C43 C41 19.6(14) no . 3_656 2_656
C41 O8 C43 C43 79.0(16) no . 3_656 4_555
C41 O8 C43 C43 111.9(14) no . 3_656 .
C41 O8 C43 C43 163(3) no . 3_656 2_656
C41 O8 C43 C44 -0.5(15) no . 3_656 3_656
C43 O8 C41 O8 -66.0(16) no 3_656 . 2_656
C43 O8 C41 C41 -153(2) no 3_656 . 2_656
C43 O8 C41 C42 177(3) no 3_656 . .
C43 O8 C41 C42 168(3) no 3_656 . 2_656
C43 O8 C41 C43 -9.4(13) no 3_656 . 2_656
C43 O8 C41 C43 -0.0(12) no 3_656 . 3_656
C43 O8 C41 C43 -105.4(18) no 3_656 . 4_555
C43 O8 C41 C44 1(2) no 3_656 . 3_656
C41 O8 C43 O8 -137(3) no . 4_555 4_555
C41 O8 C43 O8 -87.6(18) no . 4_555 3_656
C41 O8 C43 O8 -43.3(17) no . 4_555 2_656
C41 O8 C43 C41 -135.1(18) no . 4_555 3_656
C41 O8 C43 C41 38.5(16) no . 4_555 2_656
C41 O8 C43 C41 0.0(13) no . 4_555 .
C41 O8 C43 C43 -53.6(17) no . 4_555 3_656
C41 O8 C43 C43 -88(2) no . 4_555 2_656
C41 O8 C43 C43 -137(3) no . 4_555 .
C41 O8 C43 C44 86.3(17) no . 4_555 4_555
C43 O8 C41 O8 39.4(17) no 4_555 . 2_656
C43 O8 C41 C41 -47.3(18) no 4_555 . 2_656
C43 O8 C41 C42 -78(2) no 4_555 . .
C43 O8 C41 C42 -87(3) no 4_555 . 2_656
C43 O8 C41 C43 96.0(17) no 4_555 . 2_656
C43 O8 C41 C43 105.4(19) no 4_555 . 3_656
C43 O8 C41 C43 0.0(13) no 4_555 . 4_555
C43 O8 C41 C44 106(3) no 4_555 . 3_656
C41 O8 C44 C41 -12.0(11) no . 4_555 2_656
C41 O8 C44 C42 14.4(11) no . 4_555 .
C41 O8 C44 C43 -89.9(15) no . 4_555 4_555
C44 O8 C41 O8 97.4(13) no 4_555 . 2_656
C44 O8 C41 C41 10.8(11) no 4_555 . 2_656
C44 O8 C41 C42 -19.8(15) no 4_555 . .
C44 O8 C41 C42 -29(3) no 4_555 . 2_656
C44 O8 C41 C43 154.0(12) no 4_555 . 2_656
C44 O8 C41 C43 163.4(13) no 4_555 . 3_656
C44 O8 C41 C43 58.1(11) no 4_555 . 4_555
C44 O8 C41 C44 164(2) no 4_555 . 3_656
C41 O8 C43 O8 -58(2) no 2_656 . 2_656
C41 O8 C43 O8 -98(3) no 2_656 . 3_656
C41 O8 C43 O8 -177(3) no 2_656 . 4_555
C41 O8 C43 C41 0.0(17) no 2_656 . 2_656
C41 O8 C43 C41 -172(3) no 2_656 . 3_656
C41 O8 C43 C41 -144(3) no 2_656 . 4_555
C41 O8 C43 C43 -125(3) no 2_656 . 2_656
C41 O8 C43 C43 -98(3) no 2_656 . 3_656
C41 O8 C43 C43 3(3) no 2_656 . 4_555
C41 O8 C43 C44 136(3) no 2_656 . .
C43 O8 C41 O8 53.8(16) no . 2_656 2_656
C43 O8 C41 C41 118.5(19) no . 2_656 .
C43 O8 C41 C42 150(3) no . 2_656 2_656
C43 O8 C41 C42 169(4) no . 2_656 .
C43 O8 C41 C43 -0.0(12) no . 2_656 .
C43 O8 C41 C43 -2.2(16) no . 2_656 4_555
C43 O8 C41 C43 96.2(18) no . 2_656 3_656
C43 O8 C41 C44 -78.2(19) no . 2_656 4_555
C41 O8 C43 O8 19(2) no 2_656 2_656 2_656
C41 O8 C43 O8 135(3) no 2_656 2_656 4_555
C41 O8 C43 O8 56(3) no 2_656 2_656 3_656
C41 O8 C43 C41 -31.3(18) no 2_656 2_656 .
C41 O8 C43 C41 116(3) no 2_656 2_656 4_555
C41 O8 C43 C41 109(3) no 2_656 2_656 3_656
C41 O8 C43 C43 81(2) no 2_656 2_656 .
C41 O8 C43 C43 56.0(18) no 2_656 2_656 4_555
C41 O8 C43 C43 -45(3) no 2_656 2_656 3_656
C43 O8 C41 O8 -19(2) no 2_656 2_656 2_656
C43 O8 C41 C41 46(3) no 2_656 2_656 .
C43 O8 C41 C42 78(3) no 2_656 2_656 2_656
C43 O8 C41 C42 96(4) no 2_656 2_656 .
C43 O8 C41 C43 -72.7(18) no 2_656 2_656 .
C43 O8 C41 C43 -75(3) no 2_656 2_656 4_555
C43 O8 C41 C43 23.6(16) no 2_656 2_656 3_656
C43 O8 C41 C44 -151(2) no 2_656 2_656 4_555
C41 O8 C43 O8 92.3(14) no 2_656 3_656 3_656
C41 O8 C43 O8 143.5(17) no 2_656 3_656 4_555
C41 O8 C43 O8 49.7(14) no 2_656 3_656 2_656
C41 O8 C43 C41 133.5(13) no 2_656 3_656 4_555
C41 O8 C43 C41 -19.6(14) no 2_656 3_656 .
C41 O8 C43 C41 0.0(10) no 2_656 3_656 2_656
C41 O8 C43 C43 59.4(13) no 2_656 3_656 4_555
C41 O8 C43 C43 92.3(14) no 2_656 3_656 .
C41 O8 C43 C43 143.5(17) no 2_656 3_656 2_656
C41 O8 C43 C44 -20(3) no 2_656 3_656 3_656
C43 O8 C41 O8 -42.4(14) no 3_656 2_656 2_656
C43 O8 C41 C41 22.3(16) no 3_656 2_656 .
C43 O8 C41 C42 54(3) no 3_656 2_656 2_656
C43 O8 C41 C42 73(5) no 3_656 2_656 .
C43 O8 C41 C43 -96.2(16) no 3_656 2_656 .
C43 O8 C41 C43 -98.5(18) no 3_656 2_656 4_555
C43 O8 C41 C43 -0.0(10) no 3_656 2_656 3_656
C43 O8 C41 C44 -174.4(16) no 3_656 2_656 4_555
C41 O8 C43 O8 -176(3) no 2_656 4_555 4_555
C41 O8 C43 O8 -126(3) no 2_656 4_555 3_656
C41 O8 C43 O8 -82(3) no 2_656 4_555 2_656
C41 O8 C43 C41 -174(3) no 2_656 4_555 3_656
C41 O8 C43 C41 0(2) no 2_656 4_555 2_656
C41 O8 C43 C41 -38(3) no 2_656 4_555 .
C41 O8 C43 C43 -92(3) no 2_656 4_555 3_656
C41 O8 C43 C43 -126(3) no 2_656 4_555 2_656
C41 O8 C43 C43 -176(4) no 2_656 4_555 .
C41 O8 C43 C44 48(2) no 2_656 4_555 4_555
C43 O8 C41 O8 56.0(19) no 4_555 2_656 2_656
C43 O8 C41 C41 121(3) no 4_555 2_656 .
C43 O8 C41 C42 153(4) no 4_555 2_656 2_656
C43 O8 C41 C42 171(6) no 4_555 2_656 .
C43 O8 C41 C43 2(2) no 4_555 2_656 .
C43 O8 C41 C43 -0.0(17) no 4_555 2_656 4_555
C43 O8 C41 C43 98(3) no 4_555 2_656 3_656
C43 O8 C41 C44 -76(3) no 4_555 2_656 4_555
C41 O8 C44 C41 0.0(14) no 2_656 4_555 2_656
C41 O8 C44 C42 26.4(15) no 2_656 4_555 .
C41 O8 C44 C43 -77.8(18) no 2_656 4_555 4_555
C44 O8 C41 O8 132.0(18) no 4_555 2_656 2_656
C44 O8 C41 C41 -163(3) no 4_555 2_656 .
C44 O8 C41 C42 -132(4) no 4_555 2_656 2_656
C44 O8 C41 C42 -113(5) no 4_555 2_656 .
C44 O8 C41 C43 78.2(18) no 4_555 2_656 .
C44 O8 C41 C43 76.0(18) no 4_555 2_656 4_555
C44 O8 C41 C43 174.4(16) no 4_555 2_656 3_656
C44 O8 C41 C44 -0.0(9) no 4_555 2_656 4_555
C43 O8 C43 O8 -62.2(10) no . 2_656 2_656
C43 O8 C43 O8 53.5(12) no . 2_656 4_555
C43 O8 C43 O8 -25.4(13) no . 2_656 3_656
C43 O8 C43 C41 -112.7(12) no . 2_656 .
C43 O8 C43 C41 34.3(17) no . 2_656 4_555
C43 O8 C43 C41 28.1(10) no . 2_656 3_656
C43 O8 C43 C43 0.0(9) no . 2_656 .
C43 O8 C43 C43 -25.4(11) no . 2_656 4_555
C43 O8 C43 C43 -126.5(17) no . 2_656 3_656
C43 O8 C43 O8 66.1(13) no 2_656 . 2_656
C43 O8 C43 O8 26.9(13) no 2_656 . 3_656
C43 O8 C43 O8 -51.9(14) no 2_656 . 4_555
C43 O8 C43 C41 124.6(18) no 2_656 . 2_656
C43 O8 C43 C41 -48(2) no 2_656 . 3_656
C43 O8 C43 C41 -19.1(12) no 2_656 . 4_555
C43 O8 C43 C43 0.0(9) no 2_656 . 2_656
C43 O8 C43 C43 26.9(11) no 2_656 . 3_656
C43 O8 C43 C43 128(3) no 2_656 . 4_555
C43 O8 C43 C44 -99.2(19) no 2_656 . .
C43 O8 C43 O8 -0.0(12) no . 3_656 3_656
C43 O8 C43 O8 51.3(10) no . 3_656 4_555
C43 O8 C43 O8 -42.6(13) no . 3_656 2_656
C43 O8 C43 C41 41.2(12) no . 3_656 4_555
C43 O8 C43 C41 -111.9(12) no . 3_656 .
C43 O8 C43 C41 -92.3(13) no . 3_656 2_656
C43 O8 C43 C43 -32.8(9) no . 3_656 4_555
C43 O8 C43 C43 0.0(8) no . 3_656 .
C43 O8 C43 C43 51.3(17) no . 3_656 2_656
C43 O8 C43 C44 -112.3(18) no . 3_656 3_656
C43 O8 C43 O8 39.2(14) no 3_656 . 2_656
C43 O8 C43 O8 0.0(16) no 3_656 . 3_656
C43 O8 C43 O8 -78.9(19) no 3_656 . 4_555
C43 O8 C43 C41 97.6(18) no 3_656 . 2_656
C43 O8 C43 C41 -75(3) no 3_656 . 3_656
C43 O8 C43 C41 -46.1(15) no 3_656 . 4_555
C43 O8 C43 C43 -26.9(12) no 3_656 . 2_656
C43 O8 C43 C43 0.0(10) no 3_656 . 3_656
C43 O8 C43 C43 101(3) no 3_656 . 4_555
C43 O8 C43 C44 -126(2) no 3_656 . .
C43 O8 C43 O8 0(4) no . 4_555 4_555
C43 O8 C43 O8 50(3) no . 4_555 3_656
C43 O8 C43 O8 94(4) no . 4_555 2_656
C43 O8 C43 C41 2(3) no . 4_555 3_656
C43 O8 C43 C41 176(4) no . 4_555 2_656
C43 O8 C43 C41 137(4) no . 4_555 .
C43 O8 C43 C43 84(4) no . 4_555 3_656
C43 O8 C43 C43 50(4) no . 4_555 2_656
C43 O8 C43 C43 0(3) no . 4_555 .
C43 O8 C43 C44 -136(4) no . 4_555 4_555
C43 O8 C43 O8 -62(3) no 4_555 . 2_656
C43 O8 C43 O8 -101(4) no 4_555 . 3_656
C43 O8 C43 O8 -180(908240) no 4_555 . 4_555
C43 O8 C43 C41 -3(4) no 4_555 . 2_656
C43 O8 C43 C41 -176(5) no 4_555 . 3_656
C43 O8 C43 C41 -147(4) no 4_555 . 4_555
C43 O8 C43 C43 -128(4) no 4_555 . 2_656
C43 O8 C43 C43 -101(4) no 4_555 . 3_656
C43 O8 C43 C43 0(3) no 4_555 . 4_555
C43 O8 C43 C44 133(5) no 4_555 . .
C43 O8 C44 C41 100.0(15) no . 4_555 2_656
C43 O8 C44 C42 126.4(14) no . 4_555 .
C43 O8 C44 C43 22.2(11) no . 4_555 4_555
C44 O8 C43 O8 -98.1(12) no 4_555 . 2_656
C44 O8 C43 O8 -137.3(14) no 4_555 . 3_656
C44 O8 C43 O8 144(2) no 4_555 . 4_555
C44 O8 C43 C41 -39.6(11) no 4_555 . 2_656
C44 O8 C43 C41 148(3) no 4_555 . 3_656
C44 O8 C43 C41 176.7(14) no 4_555 . 4_555
C44 O8 C43 C43 -164.2(15) no 4_555 . 2_656
C44 O8 C43 C43 -137.3(15) no 4_555 . 3_656
C44 O8 C43 C43 -36(2) no 4_555 . 4_555
C44 O8 C43 C44 96.6(19) no 4_555 . .
C43 O8 C43 O8 -51.3(17) no 2_656 3_656 3_656
C43 O8 C43 O8 0(2) no 2_656 3_656 4_555
C43 O8 C43 O8 -94(2) no 2_656 3_656 2_656
C43 O8 C43 C41 -10.1(15) no 2_656 3_656 4_555
C43 O8 C43 C41 -163(3) no 2_656 3_656 .
C43 O8 C43 C41 -143.5(19) no 2_656 3_656 2_656
C43 O8 C43 C43 -84(2) no 2_656 3_656 4_555
C43 O8 C43 C43 -51(2) no 2_656 3_656 .
C43 O8 C43 C43 -0.0(13) no 2_656 3_656 2_656
C43 O8 C43 C44 -164(3) no 2_656 3_656 3_656
C43 O8 C43 O8 64.3(19) no 3_656 2_656 2_656
C43 O8 C43 O8 -180(1034458) no 3_656 2_656 4_555
C43 O8 C43 O8 101(3) no 3_656 2_656 3_656
C43 O8 C43 C41 13.8(19) no 3_656 2_656 .
C43 O8 C43 C41 161(3) no 3_656 2_656 4_555
C43 O8 C43 C41 155(3) no 3_656 2_656 3_656
C43 O8 C43 C43 126(2) no 3_656 2_656 .
C43 O8 C43 C43 101(3) no 3_656 2_656 4_555
C43 O8 C43 C43 -0.0(16) no 3_656 2_656 3_656
C43 O8 C43 O8 -49.8(13) no 2_656 4_555 4_555
C43 O8 C43 O8 0.0(16) no 2_656 4_555 3_656
C43 O8 C43 O8 44.4(16) no 2_656 4_555 2_656
C43 O8 C43 C41 -47.5(15) no 2_656 4_555 3_656
C43 O8 C43 C41 126.1(19) no 2_656 4_555 2_656
C43 O8 C43 C41 87.6(18) no 2_656 4_555 .
C43 O8 C43 C43 34.1(12) no 2_656 4_555 3_656
C43 O8 C43 C43 0.0(10) no 2_656 4_555 2_656
C43 O8 C43 C43 -50(3) no 2_656 4_555 .
C43 O8 C43 C44 173.9(16) no 2_656 4_555 4_555
C43 O8 C43 O8 -36.8(15) no 4_555 2_656 2_656
C43 O8 C43 O8 78.9(18) no 4_555 2_656 4_555
C43 O8 C43 O8 -0(2) no 4_555 2_656 3_656
C43 O8 C43 C41 -87.3(16) no 4_555 2_656 .
C43 O8 C43 C41 60(3) no 4_555 2_656 4_555
C43 O8 C43 C41 53.5(17) no 4_555 2_656 3_656
C43 O8 C43 C43 25.4(14) no 4_555 2_656 .
C43 O8 C43 C43 0.0(12) no 4_555 2_656 4_555
C43 O8 C43 C43 -101(2) no 4_555 2_656 3_656
C43 O8 C44 C41 64(5) no 2_656 4_555 2_656
C43 O8 C44 C42 91(5) no 2_656 4_555 .
C43 O8 C44 C43 -13(4) no 2_656 4_555 4_555
C44 O8 C43 O8 -25(4) no 4_555 2_656 2_656
C44 O8 C43 O8 90(5) no 4_555 2_656 4_555
C44 O8 C43 O8 11(5) no 4_555 2_656 3_656
C44 O8 C43 C41 -76(4) no 4_555 2_656 .
C44 O8 C43 C41 71(5) no 4_555 2_656 4_555
C44 O8 C43 C41 65(5) no 4_555 2_656 3_656
C44 O8 C43 C43 37(4) no 4_555 2_656 .
C44 O8 C43 C43 11(4) no 4_555 2_656 4_555
C44 O8 C43 C43 -90(5) no 4_555 2_656 3_656
C43 O8 C43 O8 -83.9(19) no 3_656 4_555 4_555
C43 O8 C43 O8 -34.1(17) no 3_656 4_555 3_656
C43 O8 C43 O8 10.3(17) no 3_656 4_555 2_656
C43 O8 C43 C41 -81.6(16) no 3_656 4_555 3_656
C43 O8 C43 C41 92.0(18) no 3_656 4_555 2_656
C43 O8 C43 C41 53.6(15) no 3_656 4_555 .
C43 O8 C43 C43 0.0(10) no 3_656 4_555 3_656
C43 O8 C43 C43 -34.1(13) no 3_656 4_555 2_656
C43 O8 C43 C43 -84(3) no 3_656 4_555 .
C43 O8 C43 C44 139.9(16) no 3_656 4_555 4_555
C43 O8 C43 O8 32.8(15) no 4_555 3_656 3_656
C43 O8 C43 O8 84.1(15) no 4_555 3_656 4_555
C43 O8 C43 O8 -9.7(16) no 4_555 3_656 2_656
C43 O8 C43 C41 74.1(15) no 4_555 3_656 4_555
C43 O8 C43 C41 -79.0(15) no 4_555 3_656 .
C43 O8 C43 C41 -59.4(13) no 4_555 3_656 2_656
C43 O8 C43 C43 0.0(10) no 4_555 3_656 4_555
C43 O8 C43 C43 32.8(11) no 4_555 3_656 .
C43 O8 C43 C43 84.1(19) no 4_555 3_656 2_656
C43 O8 C43 C44 -80(3) no 4_555 3_656 3_656
C43 O8 C44 C41 8(3) no 3_656 4_555 2_656
C43 O8 C44 C42 35(3) no 3_656 4_555 .
C43 O8 C44 C43 -70(3) no 3_656 4_555 4_555
C44 O8 C43 O8 87(3) no 4_555 3_656 3_656
C44 O8 C43 O8 138(3) no 4_555 3_656 4_555
C44 O8 C43 O8 44(3) no 4_555 3_656 2_656
C44 O8 C43 C41 128(2) no 4_555 3_656 4_555
C44 O8 C43 C41 -25(3) no 4_555 3_656 .
C44 O8 C43 C41 -5.4(15) no 4_555 3_656 2_656
C44 O8 C43 C43 54.1(18) no 4_555 3_656 4_555
C44 O8 C43 C43 87(3) no 4_555 3_656 .
C44 O8 C43 C43 138(2) no 4_555 3_656 2_656
C44 O8 C43 C44 -25(4) no 4_555 3_656 3_656
C43 O8 C44 C41 77.8(19) no 4_555 4_555 2_656
C43 O8 C44 C42 104.2(19) no 4_555 4_555 .
C43 O8 C44 C43 0.0(15) no 4_555 4_555 4_555
C44 O8 C43 O8 136(2) no 4_555 4_555 4_555
C44 O8 C43 O8 -173.9(19) no 4_555 4_555 3_656
C44 O8 C43 O8 -129.6(17) no 4_555 4_555 2_656
C44 O8 C43 C41 138.6(18) no 4_555 4_555 3_656
C44 O8 C43 C41 -47.8(12) no 4_555 4_555 2_656
C44 O8 C43 C41 -86.3(15) no 4_555 4_555 .
C44 O8 C43 C43 -139.9(16) no 4_555 4_555 3_656
C44 O8 C43 C43 -173.9(16) no 4_555 4_555 2_656
C44 O8 C43 C43 136(3) no 4_555 4_555 .
C44 O8 C43 C44 -0.0(10) no 4_555 4_555 4_555
C45A O9A C47A C48A 120.2(14) no . . .
C47A O9A C45A C46A 138.2(10) no . . .
O13 O13 C53 O13 0(12) no 2_553 . 2_553
O13 O13 C53 C53 172(22) no 2_553 . 2_553
O13 O13 C53 C54 175(22) no 2_553 . .
C53 O13 O13 C53 -6(17) no . 2_553 2_553
C53 O13 O13 C53 0(11) no . 2_553 .
O13 O13 C53 O13 0(8) no 2_553 2_553 2_553
O13 O13 C53 C53 -5(14) no 2_553 2_553 .
O13 O13 C53 C54 -12(45) no 2_553 2_553 .
C53 O13 O13 C53 -0(11) no 2_553 2_553 2_553
C53 O13 O13 C53 6(17) no 2_553 2_553 .
C53 O13 C53 O13 5(15) no . 2_553 2_553
C53 O13 C53 C53 0(9) no . 2_553 .
C53 O13 C53 C54 -7(34) no . 2_553 .
C53 O13 C53 O13 -172(23) no 2_553 . 2_553
C53 O13 C53 C53 0(14) no 2_553 . 2_553
C53 O13 C53 C54 3(16) no 2_553 . .
Cu1 N1 C1A N2A -170.7(7) no . . .
Cu1 N1 C3A C2A 171.6(5) no . . .
Cu1 N1 C23B N5B 176.5(5) no . . .
Cu1 N1 C25B C24B -178.8(5) no . . .
C1A N1 C3A C2A 1.4(14) no . . .
C3A N1 C1A N2A -0.5(16) no . . .
C1A N1 C25B C24B -4.8(13) no . . .
C25B N1 C1A N2A 15.4(16) no . . .
C3A N1 C23B N5B -13.9(15) no . . .
C23B N1 C3A C2A 1.5(13) no . . .
C23B N1 C25B C24B -3.8(13) no . . .
C25B N1 C23B N5B 1.8(15) no . . .
C1A N2A C2A C3A 1.4(14) no . . .
C2A N2A C1A N1 -0.5(17) no . . .
C1A N2A C4A C5A 21.7(18) no . . .
C4A N2A C1A N1 -179.7(11) no . . .
C2A N2A C4A C5A -157.3(10) no . . .
C4A N2A C2A C3A -179.4(9) no . . .
Cu2 N3 C16A N4A -168.7(5) no 2_555 . .
Cu2 N3 C18A C17A 166.9(7) no 2_555 . .
Cu2 N3 C38B N6B 177.9(5) no 2_555 . .
Cu2 N3 C40B C39B -175.6(5) no 2_555 . .
C16A N3 C18A C17A -3.4(15) no . . .
C18A N3 C16A N4A 0.8(14) no . . .
C16A N3 C40B C39B 16.7(14) no . . .
C40B N3 C16A N4A -1.4(13) no . . .
C18A N3 C38B N6B 3.9(14) no . . .
C38B N3 C18A C17A -19.0(16) no . . .
C38B N3 C40B C39B 1.6(14) no . . .
C40B N3 C38B N6B 0.5(13) no . . .
C15A N4A C16A N3 -179.2(10) no . . .
C16A N4A C15A C8A -2.3(16) no . . .
C15A N4A C17A C18A 177.2(10) no . . .
C17A N4A C15A C8A 176.3(11) no . . .
C16A N4A C17A C18A -4.0(15) no . . .
C17A N4A C16A N3 2.0(15) no . . .
C23B N5B C24B C25B -3.2(13) no . . .
C24B N5B C23B N1 0.9(16) no . . .
C23B N5B C26B C27B 18.2(17) no . . .
C26B N5B C23B N1 -179.8(10) no . . .
C24B N5B C26B C27B -162.6(9) no . . .
C26B N5B C24B C25B 177.4(9) no . . .
C37B N6B C38B N3 179.0(10) no . . .
C38B N6B C37B C30B -22.9(16) no . . .
C37B N6B C39B C40B -177.9(10) no . . .
C39B N6B C37B C30B 158.7(11) no . . .
C38B N6B C39B C40B 3.4(14) no . . .
C39B N6B C38B N3 -2.5(14) no . . .
N2A C2A C3A N1 -1.7(14) no . . .
N2A C4A C5A C6A -112.7(11) no . . .
N2A C4A C5A C10A 66.6(13) no . . .
C4A C5A C6A C7A -179.1(9) no . . .
C4A C5A C6A C11A 3.5(15) no . . .
C4A C5A C10A C9A -179.9(11) no . . .
C4A C5A C10A C14A 0.1(19) no . . .
C6A C5A C10A C9A -0.6(19) no . . .
C6A C5A C10A C14A 179.3(11) no . . .
C10A C5A C6A C7A 1.6(16) no . . .
C10A C5A C6A C11A -175.8(11) no . . .
C5A C6A C7A C8A -0.2(17) no . . .
C5A C6A C7A C12A -178.4(9) no . . .
C11A C6A C7A C8A 177.2(12) no . . .
C11A C6A C7A C12A -1.0(18) no . . .
C6A C7A C8A C9A -2.2(18) no . . .
C6A C7A C8A C15A 177.6(10) no . . .
C12A C7A C8A C9A 176.0(11) no . . .
C12A C7A C8A C15A -4.1(18) no . . .
C7A C8A C9A C10A 3(2) no . . .
C7A C8A C9A C13A -176.0(11) no . . .
C7A C8A C15A N4A 89.2(13) no . . .
C9A C8A C15A N4A -90.9(13) no . . .
C15A C8A C9A C10A -176.6(11) no . . .
C15A C8A C9A C13A 4.1(19) no . . .
C8A C9A C10A C5A -2(3) no . . .
C8A C9A C10A C14A 178.2(13) no . . .
C13A C9A C10A C5A 177.4(13) no . . .
C13A C9A C10A C14A -3(3) no . . .
N4A C17A C18A N3 4.6(19) no . . .
N5B C24B C25B N1 4.4(13) no . . .
N5B C26B C27B C28B -101.9(12) no . . .
N5B C26B C27B C32B 77.8(12) no . . .
C26B C27B C28B C29B 179.6(9) no . . .
C26B C27B C28B C33B 1.3(15) no . . .
C26B C27B C32B C31B 179.8(12) no . . .
C26B C27B C32B C36B -2(2) no . . .
C28B C27B C32B C31B -0(2) no . . .
C28B C27B C32B C36B 177.5(11) no . . .
C32B C27B C28B C29B -0.0(17) no . . .
C32B C27B C28B C33B -178.4(11) no . . .
C27B C28B C29B C30B 2.0(18) no . . .
C27B C28B C29B C34B -178.8(10) no . . .
C33B C28B C29B C30B -179.6(12) no . . .
C33B C28B C29B C34B -0.4(19) no . . .
C28B C29B C30B C31B -3.5(19) no . . .
C28B C29B C30B C37B 176.0(10) no . . .
C34B C29B C30B C31B 177.3(12) no . . .
C34B C29B C30B C37B -3.3(19) no . . .
C29B C30B C31B C32B 3(2) no . . .
C29B C30B C31B C35B -175.7(12) no . . .
C29B C30B C37B N6B 107.6(12) no . . .
C31B C30B C37B N6B -73.0(14) no . . .
C37B C30B C31B C32B -176.5(11) no . . .
C37B C30B C31B C35B 5(2) no . . .
C30B C31B C32B C27B -1(3) no . . .
C30B C31B C32B C36B -179.0(13) no . . .
C35B C31B C32B C27B 177.7(14) no . . .
C35B C31B C32B C36B -0(3) no . . .
N6B C39B C40B N3 -3.1(17) no . . .
O8 C41 C41 O8 65.6(11) no . 2_656 2_656
O8 C41 C41 O8 -0.0(7) no . 2_656 .
O8 C41 C41 C42 -148.6(17) no . 2_656 2_656
O8 C41 C41 C42 -145.8(18) no . 2_656 .
O8 C41 C41 C43 40.3(10) no . 2_656 .
O8 C41 C41 C43 45.4(14) no . 2_656 4_555
O8 C41 C41 C43 20.2(17) no . 2_656 3_656
O8 C41 C41 C44 -47(6) no . 2_656 4_555
O8 C41 C42 C41 31(2) no . . 2_656
O8 C41 C42 C42 -157(6) no . . 2_656
O8 C41 C42 C44 18(2) no . . 4_555
O8 C41 C42 C41 35(3) no . 2_656 2_656
O8 C41 C42 C42 27(8) no . 2_656 .
O8 C41 C42 C44 -169(4) no . 2_656 3_656
O8 C41 C43 O8 -90(2) no . 2_656 2_656
O8 C41 C43 O8 0.0(9) no . 2_656 .
O8 C41 C43 O8 -9.5(12) no . 2_656 4_555
O8 C41 C43 O8 -87(2) no . 2_656 3_656
O8 C41 C43 C41 -75(5) no . 2_656 4_555
O8 C41 C43 C41 -46.7(17) no . 2_656 3_656
O8 C41 C43 C43 -49.1(13) no . 2_656 .
O8 C41 C43 C43 -46.7(13) no . 2_656 4_555
O8 C41 C43 C44 -158(3) no . 2_656 2_656
O8 C41 C43 O8 -79(3) no . 3_656 3_656
O8 C41 C43 O8 -13.5(13) no . 3_656 4_555
O8 C41 C43 O8 -0.0(8) no . 3_656 .
O8 C41 C43 O8 -81.9(18) no . 3_656 2_656
O8 C41 C43 C41 -69(6) no . 3_656 4_555
O8 C41 C43 C41 -24.2(19) no . 3_656 2_656
O8 C41 C43 C43 -41.9(12) no . 3_656 4_555
O8 C41 C43 C43 -45.2(13) no . 3_656 .
O8 C41 C43 C44 179.5(17) no . 3_656 3_656
O8 C41 C43 O8 27.2(16) no . 4_555 4_555
O8 C41 C43 O8 86.7(19) no . 4_555 3_656
O8 C41 C43 O8 111(3) no . 4_555 2_656
O8 C41 C43 O8 0.0(14) no . 4_555 .
O8 C41 C43 C41 54(2) no . 4_555 3_656
O8 C41 C43 C41 -103(3) no . 4_555 2_656
O8 C41 C43 C43 50.6(17) no . 4_555 3_656
O8 C41 C43 C43 54.3(16) no . 4_555 2_656
O8 C41 C43 C43 61(3) no . 4_555 .
O8 C41 C43 C44 -85.1(19) no . 4_555 4_555
O8 C41 C44 O8 -53.4(17) no . 3_656 2_656
O8 C41 C44 C42 169(4) no . 3_656 2_656
O8 C41 C44 C43 -0.5(15) no . 3_656 3_656
O8 C41 C41 O8 0.0(7) no 2_656 2_656 2_656
O8 C41 C41 O8 -65.6(11) no 2_656 2_656 .
O8 C41 C41 C42 145.8(18) no 2_656 2_656 2_656
O8 C41 C41 C42 148.6(17) no 2_656 2_656 .
O8 C41 C41 C43 -25.2(13) no 2_656 2_656 .
O8 C41 C41 C43 -20.2(17) no 2_656 2_656 4_555
O8 C41 C41 C43 -45.4(14) no 2_656 2_656 3_656
O8 C41 C41 C44 -112(6) no 2_656 2_656 4_555
O8 C41 C42 C41 -36(4) no 2_656 . 2_656
O8 C41 C42 C42 135(6) no 2_656 . 2_656
O8 C41 C42 C44 -50(4) no 2_656 . 4_555
O8 C41 C42 C41 -50(6) no 2_656 2_656 2_656
O8 C41 C42 C42 -57(10) no 2_656 2_656 .
O8 C41 C42 C44 107(6) no 2_656 2_656 3_656
O8 C41 C43 O8 -0.0(16) no 2_656 2_656 2_656
O8 C41 C43 O8 90(3) no 2_656 2_656 .
O8 C41 C43 O8 80(3) no 2_656 2_656 4_555
O8 C41 C43 O8 2(2) no 2_656 2_656 3_656
O8 C41 C43 C41 15(5) no 2_656 2_656 4_555
O8 C41 C43 C41 43(3) no 2_656 2_656 3_656
O8 C41 C43 C43 41(2) no 2_656 2_656 .
O8 C41 C43 C43 43.2(19) no 2_656 2_656 4_555
O8 C41 C43 C44 -68(3) no 2_656 2_656 2_656
O8 C41 C43 O8 3(2) no 2_656 3_656 3_656
O8 C41 C43 O8 68(3) no 2_656 3_656 4_555
O8 C41 C43 O8 82(2) no 2_656 3_656 .
O8 C41 C43 O8 -0.0(14) no 2_656 3_656 2_656
O8 C41 C43 C41 13(5) no 2_656 3_656 4_555
O8 C41 C43 C41 58(3) no 2_656 3_656 2_656
O8 C41 C43 C43 40.1(16) no 2_656 3_656 4_555
O8 C41 C43 C43 36.7(18) no 2_656 3_656 .
O8 C41 C43 C44 -99(2) no 2_656 3_656 3_656
O8 C41 C43 O8 -84.1(18) no 2_656 4_555 4_555
O8 C41 C43 O8 -24.6(13) no 2_656 4_555 3_656
O8 C41 C43 O8 -0.0(11) no 2_656 4_555 2_656
O8 C41 C43 O8 -111(3) no 2_656 4_555 .
O8 C41 C43 C41 -57.0(19) no 2_656 4_555 3_656
O8 C41 C43 C41 146(3) no 2_656 4_555 2_656
O8 C41 C43 C43 -60.7(18) no 2_656 4_555 3_656
O8 C41 C43 C43 -57.0(15) no 2_656 4_555 2_656
O8 C41 C43 C43 -50(3) no 2_656 4_555 .
O8 C41 C43 C44 163.7(19) no 2_656 4_555 4_555
O8 C41 C44 O8 0.0(7) no 2_656 3_656 2_656
O8 C41 C44 C42 -137(3) no 2_656 3_656 2_656
O8 C41 C44 C43 52.9(10) no 2_656 3_656 3_656
C41 C41 C42 C41 0.0(16) no 2_656 . 2_656
C41 C41 C42 C42 171(7) no 2_656 . 2_656
C41 C41 C42 C44 -13.3(18) no 2_656 . 4_555
C42 C41 C41 O8 -149(3) no . 2_656 2_656
C42 C41 C41 O8 146(3) no . 2_656 .
C42 C41 C41 C42 -3(3) no . 2_656 2_656
C42 C41 C41 C42 0(3) no . 2_656 .
C42 C41 C41 C43 -174(3) no . 2_656 .
C42 C41 C41 C43 -169(4) no . 2_656 4_555
C42 C41 C41 C43 166(3) no . 2_656 3_656
C42 C41 C41 C44 99(7) no . 2_656 4_555
C41 C41 C42 C41 0.0(14) no 2_656 2_656 2_656
C41 C41 C42 C42 -7(6) no 2_656 2_656 .
C41 C41 C42 C44 156(3) no 2_656 2_656 3_656
C42 C41 C41 O8 -146(3) no 2_656 2_656 2_656
C42 C41 C41 O8 149(3) no 2_656 2_656 .
C42 C41 C41 C42 0(3) no 2_656 2_656 2_656
C42 C41 C41 C42 3(3) no 2_656 2_656 .
C42 C41 C41 C43 -171(3) no 2_656 2_656 .
C42 C41 C41 C43 -166(3) no 2_656 2_656 4_555
C42 C41 C41 C43 169(4) no 2_656 2_656 3_656
C42 C41 C41 C44 102(6) no 2_656 2_656 4_555
C41 C41 C43 O8 -58.2(19) no 2_656 2_656 2_656
C41 C41 C43 O8 31.6(19) no 2_656 2_656 .
C41 C41 C43 O8 22(3) no 2_656 2_656 4_555
C41 C41 C43 O8 -56(3) no 2_656 2_656 3_656
C41 C41 C43 C41 -44(6) no 2_656 2_656 4_555
C41 C41 C43 C41 -15(3) no 2_656 2_656 3_656
C41 C41 C43 C43 -17(2) no 2_656 2_656 .
C41 C41 C43 C43 -15.1(17) no 2_656 2_656 4_555
C41 C41 C43 C44 -126(3) no 2_656 2_656 2_656
C43 C41 C41 O8 40.3(9) no 2_656 2_656 2_656
C43 C41 C41 O8 -25.2(12) no 2_656 2_656 .
C43 C41 C41 C42 -173.9(18) no 2_656 2_656 2_656
C43 C41 C41 C42 -171.0(15) no 2_656 2_656 .
C43 C41 C41 C43 15.1(16) no 2_656 2_656 .
C43 C41 C41 C43 20(2) no 2_656 2_656 4_555
C43 C41 C41 C43 -5.0(8) no 2_656 2_656 3_656
C43 C41 C41 C44 -72(6) no 2_656 2_656 4_555
C41 C41 C43 O8 -55(3) no 2_656 3_656 3_656
C41 C41 C43 O8 11(3) no 2_656 3_656 4_555
C41 C41 C43 O8 24(3) no 2_656 3_656 .
C41 C41 C43 O8 -58(2) no 2_656 3_656 2_656
C41 C41 C43 C41 -45(7) no 2_656 3_656 4_555
C41 C41 C43 C41 0.0(14) no 2_656 3_656 2_656
C41 C41 C43 C43 -17.7(19) no 2_656 3_656 4_555
C41 C41 C43 C43 -21(3) no 2_656 3_656 .
C41 C41 C43 C44 -156(3) no 2_656 3_656 3_656
C43 C41 C41 O8 45.4(15) no 3_656 2_656 2_656
C43 C41 C41 O8 -20.2(18) no 3_656 2_656 .
C43 C41 C41 C42 -169(3) no 3_656 2_656 2_656
C43 C41 C41 C42 -166(2) no 3_656 2_656 .
C43 C41 C41 C43 20(3) no 3_656 2_656 .
C43 C41 C41 C43 25(3) no 3_656 2_656 4_555
C43 C41 C41 C43 0.0(9) no 3_656 2_656 3_656
C43 C41 C41 C44 -67(7) no 3_656 2_656 4_555
C41 C41 C43 O8 130(3) no 2_656 4_555 4_555
C41 C41 C43 O8 -171(3) no 2_656 4_555 3_656
C41 C41 C43 O8 -146(3) no 2_656 4_555 2_656
C41 C41 C43 O8 103(3) no 2_656 4_555 .
C41 C41 C43 C41 157(3) no 2_656 4_555 3_656
C41 C41 C43 C41 0(2) no 2_656 4_555 2_656
C41 C41 C43 C43 153(3) no 2_656 4_555 3_656
C41 C41 C43 C43 157(3) no 2_656 4_555 2_656
C41 C41 C43 C43 164(4) no 2_656 4_555 .
C41 C41 C43 C44 17(3) no 2_656 4_555 4_555
C43 C41 C41 O8 20.2(18) no 4_555 2_656 2_656
C43 C41 C41 O8 -45.4(15) no 4_555 2_656 .
C43 C41 C41 C42 166(2) no 4_555 2_656 2_656
C43 C41 C41 C42 169(3) no 4_555 2_656 .
C43 C41 C41 C43 -5.0(11) no 4_555 2_656 .
C43 C41 C41 C43 0.0(9) no 4_555 2_656 4_555
C43 C41 C41 C43 -25(3) no 4_555 2_656 3_656
C43 C41 C41 C44 -92(6) no 4_555 2_656 4_555
C41 C41 C44 O8 44(6) no 2_656 3_656 2_656
C41 C41 C44 C42 -93(7) no 2_656 3_656 2_656
C41 C41 C44 C43 97(7) no 2_656 3_656 3_656
C44 C41 C41 O8 -47(6) no 3_656 2_656 2_656
C44 C41 C41 O8 -112(6) no 3_656 2_656 .
C44 C41 C41 C42 99(7) no 3_656 2_656 2_656
C44 C41 C41 C42 102(6) no 3_656 2_656 .
C44 C41 C41 C43 -72(7) no 3_656 2_656 .
C44 C41 C41 C43 -67(7) no 3_656 2_656 4_555
C44 C41 C41 C43 -92(6) no 3_656 2_656 3_656
C44 C41 C41 C44 -159(5) no 3_656 2_656 4_555
C42 C41 C43 O8 -76(6) no . 2_656 2_656
C42 C41 C43 O8 14(5) no . 2_656 .
C42 C41 C43 O8 4(6) no . 2_656 4_555
C42 C41 C43 O8 -74(6) no . 2_656 3_656
C42 C41 C43 C41 -62(8) no . 2_656 4_555
C42 C41 C43 C41 -33(6) no . 2_656 3_656
C42 C41 C43 C43 -36(6) no . 2_656 .
C42 C41 C43 C43 -33(5) no . 2_656 4_555
C42 C41 C43 C44 -145(6) no . 2_656 2_656
C43 C41 C42 C41 21(6) no 2_656 . 2_656
C43 C41 C42 C42 -167(5) no 2_656 . 2_656
C43 C41 C42 C44 8(6) no 2_656 . 4_555
C42 C41 C43 O8 -87(7) no . 3_656 3_656
C42 C41 C43 O8 -21(8) no . 3_656 4_555
C42 C41 C43 O8 -8(7) no . 3_656 .
C42 C41 C43 O8 -90(7) no . 3_656 2_656
C42 C41 C43 C41 -77(8) no . 3_656 4_555
C42 C41 C43 C41 -32(7) no . 3_656 2_656
C42 C41 C43 C43 -50(7) no . 3_656 4_555
C42 C41 C43 C43 -53(7) no . 3_656 .
C42 C41 C43 C44 172(8) no . 3_656 3_656
C43 C41 C42 C41 37(7) no 3_656 . 2_656
C43 C41 C42 C42 -151(7) no 3_656 . 2_656
C43 C41 C42 C44 24(7) no 3_656 . 4_555
C42 C41 C43 O8 139(3) no . 4_555 4_555
C42 C41 C43 O8 -161(3) no . 4_555 3_656
C42 C41 C43 O8 -137(3) no . 4_555 2_656
C42 C41 C43 O8 112(3) no . 4_555 .
C42 C41 C43 C41 166(3) no . 4_555 3_656
C42 C41 C43 C41 10(3) no . 4_555 2_656
C42 C41 C43 C43 163(4) no . 4_555 3_656
C42 C41 C43 C43 166(3) no . 4_555 2_656
C42 C41 C43 C43 173(4) no . 4_555 .
C42 C41 C43 C44 27(3) no . 4_555 4_555
C43 C41 C42 C41 -7.3(17) no 4_555 . 2_656
C43 C41 C42 C42 164(6) no 4_555 . 2_656
C43 C41 C42 C44 -20.7(17) no 4_555 . 4_555
C42 C41 C44 O8 131(4) no . 3_656 2_656
C42 C41 C44 C42 -6(2) no . 3_656 2_656
C42 C41 C44 C43 -176(4) no . 3_656 3_656
C44 C41 C42 C41 -152(3) no 3_656 . 2_656
C44 C41 C42 C42 19(7) no 3_656 . 2_656
C44 C41 C42 C44 -166(3) no 3_656 . 4_555
C42 C41 C43 O8 145(4) no 2_656 4_555 4_555
C42 C41 C43 O8 -156(4) no 2_656 4_555 3_656
C42 C41 C43 O8 -131(4) no 2_656 4_555 2_656
C42 C41 C43 O8 118(4) no 2_656 4_555 .
C42 C41 C43 C41 172(4) no 2_656 4_555 3_656
C42 C41 C43 C41 15(4) no 2_656 4_555 2_656
C42 C41 C43 C43 168(4) no 2_656 4_555 3_656
C42 C41 C43 C43 172(4) no 2_656 4_555 2_656
C42 C41 C43 C43 179(4) no 2_656 4_555 .
C42 C41 C43 C44 33(4) no 2_656 4_555 4_555
C43 C41 C42 C41 -10(2) no 4_555 2_656 2_656
C43 C41 C42 C42 -18(8) no 4_555 2_656 .
C43 C41 C42 C44 146(4) no 4_555 2_656 3_656
C42 C41 C44 O8 137(3) no 2_656 3_656 2_656
C42 C41 C44 C42 0(2) no 2_656 3_656 2_656
C42 C41 C44 C43 -170(3) no 2_656 3_656 3_656
C44 C41 C42 C41 -156(3) no 3_656 2_656 2_656
C44 C41 C42 C42 -164(6) no 3_656 2_656 .
C44 C41 C42 C44 0.0(10) no 3_656 2_656 3_656
C43 C41 C43 O8 -27.1(10) no 2_656 4_555 4_555
C43 C41 C43 O8 32.4(9) no 2_656 4_555 3_656
C43 C41 C43 O8 57.0(13) no 2_656 4_555 2_656
C43 C41 C43 O8 -54.3(12) no 2_656 4_555 .
C43 C41 C43 C41 0.0(14) no 2_656 4_555 3_656
C43 C41 C43 C41 -156.8(19) no 2_656 4_555 2_656
C43 C41 C43 C43 -3.7(10) no 2_656 4_555 3_656
C43 C41 C43 C43 0.0(7) no 2_656 4_555 2_656
C43 C41 C43 C43 7(3) no 2_656 4_555 .
C43 C41 C43 C44 -139.3(12) no 2_656 4_555 4_555
C43 C41 C43 O8 -43.2(13) no 4_555 2_656 2_656
C43 C41 C43 O8 46.7(12) no 4_555 2_656 .
C43 C41 C43 O8 37.2(13) no 4_555 2_656 4_555
C43 C41 C43 O8 -40.8(15) no 4_555 2_656 3_656
C43 C41 C43 C41 -29(5) no 4_555 2_656 4_555
C43 C41 C43 C41 -0.0(15) no 4_555 2_656 3_656
C43 C41 C43 C43 -2.4(9) no 4_555 2_656 .
C43 C41 C43 C43 -0.0(8) no 4_555 2_656 4_555
C43 C41 C43 C44 -111(3) no 4_555 2_656 2_656
C43 C41 C44 O8 -46.2(9) no 2_656 3_656 2_656
C43 C41 C44 C42 176.5(18) no 2_656 3_656 2_656
C43 C41 C44 C43 6.6(6) no 2_656 3_656 3_656
C44 C41 C43 O8 98(2) no 3_656 2_656 2_656
C44 C41 C43 O8 -172(2) no 3_656 2_656 .
C44 C41 C43 O8 178.6(17) no 3_656 2_656 4_555
C44 C41 C43 O8 101(2) no 3_656 2_656 3_656
C44 C41 C43 C41 113(5) no 3_656 2_656 4_555
C44 C41 C43 C41 141.5(17) no 3_656 2_656 3_656
C44 C41 C43 C43 139.1(16) no 3_656 2_656 .
C44 C41 C43 C43 141.5(18) no 3_656 2_656 4_555
C44 C41 C43 C44 30(3) no 3_656 2_656 2_656
C43 C41 C43 O8 -23.4(17) no 3_656 4_555 4_555
C43 C41 C43 O8 36.1(16) no 3_656 4_555 3_656
C43 C41 C43 O8 60.7(18) no 3_656 4_555 2_656
C43 C41 C43 O8 -50.6(15) no 3_656 4_555 .
C43 C41 C43 C41 4(3) no 3_656 4_555 3_656
C43 C41 C43 C41 -153(3) no 3_656 4_555 2_656
C43 C41 C43 C43 0.0(11) no 3_656 4_555 3_656
C43 C41 C43 C43 3.7(13) no 3_656 4_555 2_656
C43 C41 C43 C43 10(3) no 3_656 4_555 .
C43 C41 C43 C44 -135.6(18) no 3_656 4_555 4_555
C43 C41 C43 O8 -37.1(19) no 4_555 3_656 3_656
C43 C41 C43 O8 28.3(16) no 4_555 3_656 4_555
C43 C41 C43 O8 41.9(11) no 4_555 3_656 .
C43 C41 C43 O8 -40.1(11) no 4_555 3_656 2_656
C43 C41 C43 C41 -27(5) no 4_555 3_656 4_555
C43 C41 C43 C41 17.7(16) no 4_555 3_656 2_656
C43 C41 C43 C43 -0.0(8) no 4_555 3_656 4_555
C43 C41 C43 C43 -3.4(11) no 4_555 3_656 .
C43 C41 C43 C44 -138.7(15) no 4_555 3_656 3_656
C43 C41 C44 O8 -52.9(12) no 3_656 3_656 2_656
C43 C41 C44 C42 170(3) no 3_656 3_656 2_656
C43 C41 C44 C43 0.0(9) no 3_656 3_656 3_656
C44 C41 C43 O8 102(3) no 3_656 3_656 3_656
C44 C41 C43 O8 167.0(17) no 3_656 3_656 4_555
C44 C41 C43 O8 -179.5(17) no 3_656 3_656 .
C44 C41 C43 O8 98.6(18) no 3_656 3_656 2_656
C44 C41 C43 C41 112(5) no 3_656 3_656 4_555
C44 C41 C43 C41 156(3) no 3_656 3_656 2_656
C44 C41 C43 C43 138.7(16) no 3_656 3_656 4_555
C44 C41 C43 C43 135.3(15) no 3_656 3_656 .
C44 C41 C43 C44 0.0(10) no 3_656 3_656 3_656
C43 C41 C44 O8 -4.1(12) no 4_555 3_656 2_656
C43 C41 C44 C42 -141(3) no 4_555 3_656 2_656
C43 C41 C44 C43 48.7(16) no 4_555 3_656 3_656
C44 C41 C43 O8 -77(3) no 3_656 4_555 4_555
C44 C41 C43 O8 -18(3) no 3_656 4_555 3_656
C44 C41 C43 O8 7(2) no 3_656 4_555 2_656
C44 C41 C43 O8 -104(3) no 3_656 4_555 .
C44 C41 C43 C41 -50(3) no 3_656 4_555 3_656
C44 C41 C43 C41 153(3) no 3_656 4_555 2_656
C44 C41 C43 C43 -54(2) no 3_656 4_555 3_656
C44 C41 C43 C43 -50(2) no 3_656 4_555 2_656
C44 C41 C43 C43 -43(4) no 3_656 4_555 .
C44 C41 C43 C44 171(3) no 3_656 4_555 4_555
C41 C42 C42 C41 -6(7) no . 2_656 2_656
C41 C42 C42 C41 -0.0(11) no . 2_656 .
C41 C42 C42 C44 -13(6) no . 2_656 3_656
C41 C42 C44 O8 -14.2(17) no . 4_555 .
C41 C42 C44 C41 17.1(13) no . 4_555 2_656
C41 C42 C44 C43 25.2(19) no . 4_555 4_555
C41 C42 C42 C41 0.0(11) no 2_656 2_656 2_656
C41 C42 C42 C41 6(7) no 2_656 2_656 .
C41 C42 C42 C44 -7(13) no 2_656 2_656 3_656
C41 C42 C44 O8 -31(3) no 2_656 4_555 .
C41 C42 C44 C41 -0.0(17) no 2_656 4_555 2_656
C41 C42 C44 C43 8(3) no 2_656 4_555 4_555
C42 C42 C44 O8 -8(12) no 2_656 4_555 .
C42 C42 C44 C41 23(12) no 2_656 4_555 2_656
C42 C42 C44 C43 31(13) no 2_656 4_555 4_555
C44 C42 C42 C41 -13(6) no 4_555 2_656 2_656
C44 C42 C42 C41 -7(13) no 4_555 2_656 .
C44 C42 C42 C44 -19(19) no 4_555 2_656 3_656
O8 C43 C43 O8 77.1(13) no . 2_656 2_656
O8 C43 C43 O8 0.0(9) no . 2_656 .
O8 C43 C43 O8 -59.2(14) no . 2_656 4_555
O8 C43 C43 O8 136.3(19) no . 2_656 3_656
O8 C43 C43 C41 43.4(11) no . 2_656 .
O8 C43 C43 C41 -149.5(18) no . 2_656 4_555
O8 C43 C43 C41 -133.4(17) no . 2_656 3_656
O8 C43 C43 C43 38.6(16) no . 2_656 4_555
O8 C43 C43 C43 38.6(15) no . 2_656 3_656
O8 C43 C43 C44 179.1(19) no . 2_656 2_656
O8 C43 C43 O8 180(1008475) no . 3_656 3_656
O8 C43 C43 O8 -64.6(16) no . 3_656 4_555
O8 C43 C43 O8 0.0(10) no . 3_656 .
O8 C43 C43 O8 115(2) no . 3_656 2_656
O8 C43 C43 C41 -127.1(16) no . 3_656 4_555
O8 C43 C43 C41 66.4(17) no . 3_656 .
O8 C43 C43 C41 52.9(13) no . 3_656 2_656
O8 C43 C43 C43 58.6(18) no . 3_656 4_555
O8 C43 C43 C43 -121(3) no . 3_656 2_656
O8 C43 C43 C44 108(3) no . 3_656 3_656
O8 C43 C43 O8 0(3) no . 4_555 4_555
O8 C43 C43 O8 -78(3) no . 4_555 3_656
O8 C43 C43 O8 -78(3) no . 4_555 2_656
O8 C43 C43 O8 0.0(13) no . 4_555 .
O8 C43 C43 C41 -45(2) no . 4_555 .
O8 C43 C43 C43 -37.9(17) no . 4_555 3_656
O8 C43 C43 C43 -38(3) no . 4_555 2_656
O8 C43 C43 C44 82(3) no . 4_555 4_555
O8 C43 C44 O8 30.1(13) no . . 4_555
O8 C43 C44 C41 98(3) no . . 3_656
O8 C43 C44 C42 104.3(19) no . . 4_555
O8 C43 C43 O8 0.0(9) no 2_656 2_656 2_656
O8 C43 C43 O8 -77.1(13) no 2_656 2_656 .
O8 C43 C43 O8 -136.3(19) no 2_656 2_656 4_555
O8 C43 C43 O8 59.2(14) no 2_656 2_656 3_656
O8 C43 C43 C41 -33.8(11) no 2_656 2_656 .
O8 C43 C43 C41 133.4(17) no 2_656 2_656 4_555
O8 C43 C43 C41 149.5(18) no 2_656 2_656 3_656
O8 C43 C43 C43 -38.6(15) no 2_656 2_656 4_555
O8 C43 C43 C43 -38.6(16) no 2_656 2_656 3_656
O8 C43 C43 C44 102.0(17) no 2_656 2_656 2_656
O8 C43 C43 O8 64.6(18) no 2_656 3_656 3_656
O8 C43 C43 O8 180(982410) no 2_656 3_656 4_555
O8 C43 C43 O8 -115(3) no 2_656 3_656 .
O8 C43 C43 O8 0.0(14) no 2_656 3_656 2_656
O8 C43 C43 C41 117(2) no 2_656 3_656 4_555
O8 C43 C43 C41 -48.9(17) no 2_656 3_656 .
O8 C43 C43 C41 -62.5(16) no 2_656 3_656 2_656
O8 C43 C43 C43 -56.8(19) no 2_656 3_656 4_555
O8 C43 C43 C43 123(3) no 2_656 3_656 2_656
O8 C43 C43 C44 -8(2) no 2_656 3_656 3_656
O8 C43 C43 O8 78(2) no 2_656 4_555 4_555
O8 C43 C43 O8 0.0(18) no 2_656 4_555 3_656
O8 C43 C43 O8 0.0(8) no 2_656 4_555 2_656
O8 C43 C43 O8 78(3) no 2_656 4_555 .
O8 C43 C43 C41 34(3) no 2_656 4_555 .
O8 C43 C43 C43 40.5(13) no 2_656 4_555 3_656
O8 C43 C43 C43 40.5(15) no 2_656 4_555 2_656
O8 C43 C43 C44 161(5) no 2_656 4_555 4_555
O8 C43 C43 O8 -59.2(16) no 3_656 2_656 2_656
O8 C43 C43 O8 -136(2) no 3_656 2_656 .
O8 C43 C43 O8 164(3) no 3_656 2_656 4_555
O8 C43 C43 O8 0.0(12) no 3_656 2_656 3_656
O8 C43 C43 C41 -92.9(17) no 3_656 2_656 .
O8 C43 C43 C41 74.2(17) no 3_656 2_656 4_555
O8 C43 C43 C41 90.3(18) no 3_656 2_656 3_656
O8 C43 C43 C43 -98(3) no 3_656 2_656 4_555
O8 C43 C43 C43 -98(3) no 3_656 2_656 3_656
O8 C43 C43 C44 42.8(18) no 3_656 2_656 2_656
O8 C43 C43 O8 -0.0(10) no 3_656 3_656 3_656
O8 C43 C43 O8 115(2) no 3_656 3_656 4_555
O8 C43 C43 O8 -180(827694) no 3_656 3_656 .
O8 C43 C43 O8 -64.6(16) no 3_656 3_656 2_656
O8 C43 C43 C41 52.9(13) no 3_656 3_656 4_555
O8 C43 C43 C41 -113.6(18) no 3_656 3_656 .
O8 C43 C43 C41 -127.1(16) no 3_656 3_656 2_656
O8 C43 C43 C43 -121(3) no 3_656 3_656 4_555
O8 C43 C43 C43 58.6(18) no 3_656 3_656 2_656
O8 C43 C43 C44 -72(3) no 3_656 3_656 3_656
O8 C43 C43 O8 78(3) no 3_656 4_555 4_555
O8 C43 C43 O8 0.0(8) no 3_656 4_555 3_656
O8 C43 C43 O8 0.0(18) no 3_656 4_555 2_656
O8 C43 C43 O8 78(2) no 3_656 4_555 .
O8 C43 C43 C41 34(3) no 3_656 4_555 .
O8 C43 C43 C43 40.5(15) no 3_656 4_555 3_656
O8 C43 C43 C43 40.5(13) no 3_656 4_555 2_656
O8 C43 C43 C44 161(3) no 3_656 4_555 4_555
O8 C43 C44 O8 -68(3) no 3_656 . 4_555
O8 C43 C44 C41 -0.6(19) no 3_656 . 3_656
O8 C43 C44 C42 6(3) no 3_656 . 4_555
O8 C43 C43 O8 136(2) no 4_555 2_656 2_656
O8 C43 C43 O8 59.2(16) no 4_555 2_656 .
O8 C43 C43 O8 -0.0(12) no 4_555 2_656 4_555
O8 C43 C43 O8 -164(3) no 4_555 2_656 3_656
O8 C43 C43 C41 102.6(18) no 4_555 2_656 .
O8 C43 C43 C41 -90.3(18) no 4_555 2_656 4_555
O8 C43 C43 C41 -74.2(17) no 4_555 2_656 3_656
O8 C43 C43 C43 98(3) no 4_555 2_656 4_555
O8 C43 C43 C43 98(3) no 4_555 2_656 3_656
O8 C43 C43 C44 -122(2) no 4_555 2_656 2_656
O8 C43 C43 O8 -115(3) no 4_555 3_656 3_656
O8 C43 C43 O8 -0.0(14) no 4_555 3_656 4_555
O8 C43 C43 O8 64.6(18) no 4_555 3_656 .
O8 C43 C43 O8 -180(858469) no 4_555 3_656 2_656
O8 C43 C43 C41 -62.5(16) no 4_555 3_656 4_555
O8 C43 C43 C41 131(3) no 4_555 3_656 .
O8 C43 C43 C41 117(2) no 4_555 3_656 2_656
O8 C43 C43 C43 123(3) no 4_555 3_656 4_555
O8 C43 C43 C43 -56.8(19) no 4_555 3_656 2_656
O8 C43 C43 C44 172(3) no 4_555 3_656 3_656
O8 C43 C43 O8 0.0(13) no 4_555 4_555 4_555
O8 C43 C43 O8 -78(3) no 4_555 4_555 3_656
O8 C43 C43 O8 -78(3) no 4_555 4_555 2_656
O8 C43 C43 O8 0(3) no 4_555 4_555 .
O8 C43 C43 C41 -45(4) no 4_555 4_555 .
O8 C43 C43 C43 -38(3) no 4_555 4_555 3_656
O8 C43 C43 C43 -37.9(17) no 4_555 4_555 2_656
O8 C43 C43 C44 82(5) no 4_555 4_555 4_555
O8 C43 C44 O8 0.0(11) no 4_555 . 4_555
O8 C43 C44 C41 67.7(17) no 4_555 . 3_656
O8 C43 C44 C42 74.2(16) no 4_555 . 4_555
C41 C43 C43 O8 43.4(11) no 2_656 2_656 2_656
C41 C43 C43 O8 -33.8(11) no 2_656 2_656 .
C41 C43 C43 O8 -92.9(15) no 2_656 2_656 4_555
C41 C43 C43 O8 102.6(16) no 2_656 2_656 3_656
C41 C43 C43 C41 9.6(11) no 2_656 2_656 .
C41 C43 C43 C41 176.8(15) no 2_656 2_656 4_555
C41 C43 C43 C41 -167.1(16) no 2_656 2_656 3_656
C41 C43 C43 C43 4.8(14) no 2_656 2_656 4_555
C41 C43 C43 C43 4.8(18) no 2_656 2_656 3_656
C41 C43 C43 C44 145.3(15) no 2_656 2_656 2_656
C41 C43 C43 O8 127.1(16) no 2_656 3_656 3_656
C41 C43 C43 O8 -117.5(19) no 2_656 3_656 4_555
C41 C43 C43 O8 -52.9(14) no 2_656 3_656 .
C41 C43 C43 O8 62.5(14) no 2_656 3_656 2_656
C41 C43 C43 C41 180(1092106) no 2_656 3_656 4_555
C41 C43 C43 C41 13.6(13) no 2_656 3_656 .
C41 C43 C43 C41 0.0(11) no 2_656 3_656 2_656
C41 C43 C43 C43 5.7(15) no 2_656 3_656 4_555
C41 C43 C43 C43 -174(3) no 2_656 3_656 2_656
C41 C43 C43 C44 55(2) no 2_656 3_656 3_656
C41 C43 C44 O8 72(3) no 2_656 . 4_555
C41 C43 C44 C41 139(3) no 2_656 . 3_656
C41 C43 C44 C42 146(3) no 2_656 . 4_555
C41 C43 C43 O8 -149(2) no 3_656 2_656 2_656
C41 C43 C43 O8 133(2) no 3_656 2_656 .
C41 C43 C43 O8 74.2(19) no 3_656 2_656 4_555
C41 C43 C43 O8 -90(2) no 3_656 2_656 3_656
C41 C43 C43 C41 176.8(19) no 3_656 2_656 .
C41 C43 C43 C41 -16.1(18) no 3_656 2_656 4_555
C41 C43 C43 C41 0.0(15) no 3_656 2_656 3_656
C41 C43 C43 C43 172(3) no 3_656 2_656 4_555
C41 C43 C43 C43 172(3) no 3_656 2_656 3_656
C41 C43 C43 C44 -48(2) no 3_656 2_656 2_656
C41 C43 C43 O8 -66(2) no 3_656 3_656 3_656
C41 C43 C43 O8 48.9(18) no 3_656 3_656 4_555
C41 C43 C43 O8 114(2) no 3_656 3_656 .
C41 C43 C43 O8 -131(3) no 3_656 3_656 2_656
C41 C43 C43 C41 -13.6(17) no 3_656 3_656 4_555
C41 C43 C43 C41 -180(1092106) no 3_656 3_656 .
C41 C43 C43 C41 166(2) no 3_656 3_656 2_656
C41 C43 C43 C43 172(3) no 3_656 3_656 4_555
C41 C43 C43 C43 -8(3) no 3_656 3_656 2_656
C41 C43 C43 C44 -139(3) no 3_656 3_656 3_656
C41 C43 C44 O8 -67.7(19) no 3_656 . 4_555
C41 C43 C44 C41 -0.0(14) no 3_656 . 3_656
C41 C43 C44 C42 6.6(15) no 3_656 . 4_555
C41 C43 C43 O8 -133(2) no 4_555 2_656 2_656
C41 C43 C43 O8 149(2) no 4_555 2_656 .
C41 C43 C43 O8 90(2) no 4_555 2_656 4_555
C41 C43 C43 O8 -74.2(19) no 4_555 2_656 3_656
C41 C43 C43 C41 -167(2) no 4_555 2_656 .
C41 C43 C43 C41 0.0(15) no 4_555 2_656 4_555
C41 C43 C43 C41 16.1(18) no 4_555 2_656 3_656
C41 C43 C43 C43 -172(3) no 4_555 2_656 4_555
C41 C43 C43 C43 -172(3) no 4_555 2_656 3_656
C41 C43 C43 C44 -31.4(17) no 4_555 2_656 2_656
C41 C43 C43 O8 -52.9(14) no 4_555 3_656 3_656
C41 C43 C43 O8 62.5(14) no 4_555 3_656 4_555
C41 C43 C43 O8 127.1(16) no 4_555 3_656 .
C41 C43 C43 O8 -117.5(19) no 4_555 3_656 2_656
C41 C43 C43 C41 -0.0(11) no 4_555 3_656 4_555
C41 C43 C43 C41 -166.4(18) no 4_555 3_656 .
C41 C43 C43 C41 -180(1000165) no 4_555 3_656 2_656
C41 C43 C43 C43 -174(3) no 4_555 3_656 4_555
C41 C43 C43 C43 5.7(15) no 4_555 3_656 2_656
C41 C43 C43 C44 -125(3) no 4_555 3_656 3_656
C41 C43 C43 O8 45(2) no 4_555 4_555 4_555
C41 C43 C43 O8 -34(3) no 4_555 4_555 3_656
C41 C43 C43 O8 -34(3) no 4_555 4_555 2_656
C41 C43 C43 O8 45(4) no 4_555 4_555 .
C41 C43 C43 C41 0(5) no 4_555 4_555 .
C41 C43 C43 C43 7(3) no 4_555 4_555 3_656
C41 C43 C43 C43 7(2) no 4_555 4_555 2_656
C41 C43 C43 C44 127(4) no 4_555 4_555 4_555
C41 C43 C44 O8 -53.8(12) no 4_555 . 4_555
C41 C43 C44 C41 13.8(9) no 4_555 . 3_656
C41 C43 C44 C42 20.4(10) no 4_555 . 4_555
C43 C43 C43 O8 -59(3) no 2_656 3_656 3_656
C43 C43 C43 O8 57(2) no 2_656 3_656 4_555
C43 C43 C43 O8 121(3) no 2_656 3_656 .
C43 C43 C43 O8 -123(3) no 2_656 3_656 2_656
C43 C43 C43 C41 -6(2) no 2_656 3_656 4_555
C43 C43 C43 C41 -172(3) no 2_656 3_656 .
C43 C43 C43 C41 174(3) no 2_656 3_656 2_656
C43 C43 C43 C43 180(821249) no 2_656 3_656 4_555
C43 C43 C43 C43 0.0(17) no 2_656 3_656 2_656
C43 C43 C43 C44 -131(4) no 2_656 3_656 3_656
C43 C43 C43 O8 39(2) no 3_656 2_656 2_656
C43 C43 C43 O8 -39(2) no 3_656 2_656 .
C43 C43 C43 O8 -98(3) no 3_656 2_656 4_555
C43 C43 C43 O8 98(3) no 3_656 2_656 3_656
C43 C43 C43 C41 4.8(19) no 3_656 2_656 .
C43 C43 C43 C41 172(3) no 3_656 2_656 4_555
C43 C43 C43 C41 -172(3) no 3_656 2_656 3_656
C43 C43 C43 C43 0(3) no 3_656 2_656 4_555
C43 C43 C43 C43 0.0(16) no 3_656 2_656 3_656
C43 C43 C43 C44 141(3) no 3_656 2_656 2_656
C43 C43 C43 O8 37.9(14) no 2_656 4_555 4_555
C43 C43 C43 O8 -40.5(12) no 2_656 4_555 3_656
C43 C43 C43 O8 -40.5(15) no 2_656 4_555 2_656
C43 C43 C43 O8 38(2) no 2_656 4_555 .
C43 C43 C43 C41 -7(3) no 2_656 4_555 .
C43 C43 C43 C43 0.0(12) no 2_656 4_555 3_656
C43 C43 C43 C43 0.0(7) no 2_656 4_555 2_656
C43 C43 C43 C44 120(4) no 2_656 4_555 4_555
C43 C43 C43 O8 39(2) no 4_555 2_656 2_656
C43 C43 C43 O8 -39(2) no 4_555 2_656 .
C43 C43 C43 O8 -98(3) no 4_555 2_656 4_555
C43 C43 C43 O8 98(3) no 4_555 2_656 3_656
C43 C43 C43 C41 5(3) no 4_555 2_656 .
C43 C43 C43 C41 172(3) no 4_555 2_656 4_555
C43 C43 C43 C41 -172(3) no 4_555 2_656 3_656
C43 C43 C43 C43 0.0(16) no 4_555 2_656 4_555
C43 C43 C43 C43 0(3) no 4_555 2_656 3_656
C43 C43 C43 C44 141(3) no 4_555 2_656 2_656
C43 C43 C44 O8 -25.2(10) no 2_656 . 4_555
C43 C43 C44 C41 42.5(14) no 2_656 . 3_656
C43 C43 C44 C42 49.1(15) no 2_656 . 4_555
C44 C43 C43 O8 179.1(19) no . 2_656 2_656
C44 C43 C43 O8 102.0(17) no . 2_656 .
C44 C43 C43 O8 42.8(16) no . 2_656 4_555
C44 C43 C43 O8 -122(2) no . 2_656 3_656
C44 C43 C43 C41 145.3(15) no . 2_656 .
C44 C43 C43 C41 -47.5(17) no . 2_656 4_555
C44 C43 C43 C41 -31.4(12) no . 2_656 3_656
C44 C43 C43 C43 141(3) no . 2_656 4_555
C44 C43 C43 C43 141(2) no . 2_656 3_656
C44 C43 C43 C44 -78.9(19) no . 2_656 2_656
C43 C43 C43 O8 38(2) no 3_656 4_555 4_555
C43 C43 C43 O8 -40.5(15) no 3_656 4_555 3_656
C43 C43 C43 O8 -40.5(12) no 3_656 4_555 2_656
C43 C43 C43 O8 37.9(14) no 3_656 4_555 .
C43 C43 C43 C41 -6.7(19) no 3_656 4_555 .
C43 C43 C43 C43 0.0(7) no 3_656 4_555 3_656
C43 C43 C43 C43 0.0(12) no 3_656 4_555 2_656
C43 C43 C43 C44 120(4) no 3_656 4_555 4_555
C43 C43 C43 O8 121(3) no 4_555 3_656 3_656
C43 C43 C43 O8 -123(3) no 4_555 3_656 4_555
C43 C43 C43 O8 -59(3) no 4_555 3_656 .
C43 C43 C43 O8 57(2) no 4_555 3_656 2_656
C43 C43 C43 C41 174(3) no 4_555 3_656 4_555
C43 C43 C43 C41 8(3) no 4_555 3_656 .
C43 C43 C43 C41 -6(2) no 4_555 3_656 2_656
C43 C43 C43 C43 0.0(17) no 4_555 3_656 4_555
C43 C43 C43 C43 180(821249) no 4_555 3_656 2_656
C43 C43 C43 C44 49(3) no 4_555 3_656 3_656
C43 C43 C44 O8 -5.6(14) no 3_656 . 4_555
C43 C43 C44 C41 62(3) no 3_656 . 3_656
C43 C43 C44 C42 69(2) no 3_656 . 4_555
C44 C43 C43 O8 -108(3) no . 3_656 3_656
C44 C43 C43 O8 7.6(19) no . 3_656 4_555
C44 C43 C43 O8 72(3) no . 3_656 .
C44 C43 C43 O8 -172(3) no . 3_656 2_656
C44 C43 C43 C41 -55(2) no . 3_656 4_555
C44 C43 C43 C41 139(3) no . 3_656 .
C44 C43 C43 C41 125(3) no . 3_656 2_656
C44 C43 C43 C43 131(4) no . 3_656 4_555
C44 C43 C43 C43 -49(3) no . 3_656 2_656
C44 C43 C43 C44 -180(939902) no . 3_656 3_656
C43 C43 C44 O8 88(4) no 4_555 . 4_555
C43 C43 C44 C41 155(5) no 4_555 . 3_656
C43 C43 C44 C42 162(4) no 4_555 . 4_555
C44 C43 C43 O8 -82(3) no . 4_555 4_555
C44 C43 C43 O8 -161(5) no . 4_555 3_656
C44 C43 C43 O8 -161(3) no . 4_555 2_656
C44 C43 C43 O8 -82(5) no . 4_555 .
C44 C43 C43 C41 -127(4) no . 4_555 .
C44 C43 C43 C43 -120(4) no . 4_555 3_656
C44 C43 C43 C43 -120(4) no . 4_555 2_656
C44 C43 C43 C44 0(7) no . 4_555 4_555
O10B C49B C50B O11B 13(2) no . . .
O13 C53 C53 O13 -6(16) no . 2_553 2_553
O13 C53 C53 O13 0(8) no . 2_553 .
O13 C53 C53 C54 177(17) no . 2_553 .
O13 C53 C54 C53 -2(7) no . . 2_553
O13 C53 C54 C54 178(9) no . . 3_563
O13 C53 C53 O13 0(8) no 2_553 2_553 2_553
O13 C53 C53 O13 6(16) no 2_553 2_553 .
O13 C53 C53 C54 -177(17) no 2_553 2_553 .
O13 C53 C54 C53 7(36) no 2_553 . 2_553
O13 C53 C54 C54 -173(28) no 2_553 . 3_563
C53 C53 C54 C53 0(10) no 2_553 . 2_553
C53 C53 C54 C54 -180(3753432) no 2_553 . 3_563
C54 C53 C53 O13 177(15) no . 2_553 2_553
C54 C53 C53 O13 -177(15) no . 2_553 .
C54 C53 C53 C54 0.0 no . 2_553 .
C53 C54 C54 C53 180(2987983) no . 3_563 3_563
C53 C54 C54 C53 0(18) no . 3_563 4_565
C53 C54 C54 C53 0(18) no 2_553 3_563 3_563
C53 C54 C54 C53 180(2987983) no 2_553 3_563 4_565
