#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:25:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179663 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/16/4511623.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_4511623
loop_
_publ_author_name
'McManus, Gregory J.'
'Wang, Zhenqiang'
'Zaworotko, Michael J.'
_publ_section_title
;
 Suprasupermolecular Chemistry:  Infinite Networks from Nanoscale
 Metal−Organic Building Blocks†
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              11
_journal_paper_doi               10.1021/cg034199d
_journal_volume                  4
_journal_year                    2004
_chemical_formula_sum            'C251 H140 Cu24 N3 O162'
_chemical_formula_weight         7314.62
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.724(6)
_cell_angle_beta                 91.854(6)
_cell_angle_gamma                107.513(6)
_cell_formula_units_Z            2
_cell_length_a                   24.172(8)
_cell_length_b                   24.212(8)
_cell_length_c                   33.226(11)
_cell_measurement_temperature    100(2)
_cell_volume                     18518(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2415
_diffrn_reflns_av_sigmaI/netI    0.4750
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            59382
_diffrn_reflns_theta_full        20.15
_diffrn_reflns_theta_max         20.15
_diffrn_reflns_theta_min         1.04
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.546713
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7318
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.321
_refine_diff_density_min         -1.132
_refine_diff_density_rms         0.220
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3984
_refine_ls_number_reflns         34785
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.3285
_refine_ls_R_factor_gt           0.1660
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1872P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3744
_refine_ls_wR_factor_ref         0.4806
_reflns_number_gt                11538
_reflns_number_total             34785
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            compound2.cif
_cod_data_source_block           rw338
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        18518(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4511623
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.1346 -0.2760 0.2897 0.027 Uani 1 1 d .
Cu2 Cu -0.3368 0.1971 0.2844 0.028 Uani 1 1 d .
Cu3 Cu 0.2366 0.5322 0.7791 0.031 Uani 1 1 d .
Cu4 Cu 0.6971 0.1632 0.7848 0.026 Uani 1 1 d .
Cu5 Cu 0.2241 0.6348 0.7899 0.030 Uani 1 1 d .
Cu6 Cu 0.0329 -0.2635 0.2792 0.028 Uani 1 1 d .
Cu7 Cu 0.5937 0.1747 0.7772 0.029 Uani 1 1 d .
Cu8 Cu -0.3255 0.0936 0.2772 0.029 Uani 1 1 d .
Cu9 Cu 0.6361 0.5750 0.8296 0.032 Uani 1 1 d .
Cu10 Cu 0.1822 0.4301 0.4996 0.029 Uani 1 1 d .
Cu11 Cu 0.6001 0.3735 0.5395 0.029 Uani 1 1 d .
Cu12 Cu 0.1242 0.2949 0.9384 0.028 Uani 1 1 d .
Cu13 Cu 0.0752 0.1362 0.3297 0.028 Uani 1 1 d .
Cu14 Cu 0.5215 0.3329 0.5912 0.033 Uani 1 1 d .
Cu15 Cu 0.2570 0.0709 0.5319 0.032 Uani 1 1 d .
Cu16 Cu 0.2052 0.3760 0.5619 0.027 Uani 1 1 d .
Cu17 Cu -0.0121 0.0490 0.3064 0.031 Uani 1 1 d .
Cu18 Cu 0.4819 0.2585 1.0387 0.032 Uani 1 1 d .
Cu19 Cu 0.1262 -0.1002 0.9606 0.032 Uani 1 1 d .
Cu20 Cu 0.2414 0.0183 0.4612 0.030 Uani 1 1 d .
Cu21 Cu 0.1671 -0.0213 0.9086 0.031 Uani 1 1 d .
Cu22 Cu 0.5485 0.4877 0.8063 0.032 Uani 1 1 d .
Cu23 Cu 0.0698 0.3177 1.0003 0.028 Uani 1 1 d .
Cu24 Cu 0.4295 0.2428 0.9681 0.032 Uani 1 1 d .
O11 O 0.1007 -0.3575 0.2838 0.039 Uani 1 1 d .
O12 O 0.0091 -0.3469 0.2669 0.053 Uani 1 1 d .
O15 O 0.0655 -0.5689 0.2491 0.068 Uani 1 1 d .
C11 C 0.0151 -0.4416 0.2622 0.038 Uani 1 1 d .
C12 C -0.0429 -0.4653 0.2483 0.063 Uani 1 1 d .
H12 H -0.0722 -0.4466 0.2457 0.076 Uiso 1 1 calc R
C13 C -0.0481 -0.5351 0.2377 0.138 Uani 1 1 d .
C15 C 0.0200 -0.5394 0.2445 0.137 Uani 1 1 d .
C16 C 0.0553 -0.4765 0.2607 0.055 Uani 1 1 d .
H16 H 0.0955 -0.4634 0.2682 0.067 Uiso 1 1 calc R
C17 C 0.1337 -0.5406 0.2640 0.204 Uani 1 1 d .
H17A H 0.1575 -0.5309 0.2404 0.306 Uiso 1 1 calc R
H17B H 0.1462 -0.5686 0.2798 0.306 Uiso 1 1 calc R
H17C H 0.1381 -0.5053 0.2807 0.306 Uiso 1 1 calc R
C18 C 0.0474 -0.3777 0.2723 0.033 Uani 1 1 d .
O21 O 0.0729 -0.1811 0.2932 0.051 Uani 1 1 d .
O22 O 0.1621 -0.1928 0.2919 0.030 Uani 1 1 d .
C21 C 0.1501 -0.0928 0.3014 0.048 Uani 1 1 d .
C22 C 0.2150 -0.0732 0.3065 0.020 Uani 1 1 d .
H22 H 0.2382 -0.0987 0.3066 0.024 Uiso 1 1 calc R
C28 C 0.1278 -0.1637 0.2971 0.031 Uani 1 1 d .
O31 O 0.0489 -0.2531 0.2268 0.061 Uani 1 1 d .
O32 O 0.1320 -0.2752 0.2322 0.044 Uani 1 1 d .
C38 C 0.0922 -0.2637 0.2109 0.045 Uani 1 1 d .
O41 O 0.0249 -0.2810 0.3346 0.037 Uani 1 1 d .
O42 O 0.1158 -0.2804 0.3459 0.037 Uani 1 1 d .
C41 C 0.0500 -0.3047 0.3980 0.027 Uani 1 1 d .
C42 C 0.0940 -0.3048 0.4250 0.071 Uani 1 1 d .
H42 H 0.1338 -0.2931 0.4185 0.085 Uiso 1 1 calc R
C48 C 0.0644 -0.2853 0.3564 0.034 Uani 1 1 d .
O51 O 0.2499 0.5508 0.7240 0.051 Uani 1 1 d .
O52 O 0.2238 0.6328 0.7314 0.039 Uani 1 1 d .
O55 O 0.2149 0.6945 0.5859 0.041 Uani 1 1 d .
C51 C 0.2316 0.5951 0.6668 0.033 Uani 1 1 d .
C52 C 0.2298 0.5459 0.6417 0.017 Uani 1 1 d .
H52 H 0.2360 0.5122 0.6524 0.020 Uiso 1 1 calc R
C53 C 0.2186 0.5497 0.6009 0.018 Uani 1 1 d .
C54 C 0.2141 0.6002 0.5824 0.045 Uani 1 1 d .
H54 H 0.2064 0.6008 0.5542 0.054 Uiso 1 1 calc R
C55 C 0.2211 0.6472 0.6068 0.026 Uani 1 1 d .
C56 C 0.2254 0.6453 0.6498 0.077 Uani 1 1 d .
H56 H 0.2239 0.6774 0.6665 0.092 Uiso 1 1 calc R
C57 C 0.1960 0.7374 0.6070 0.055 Uani 1 1 d .
H57A H 0.1587 0.7189 0.6189 0.083 Uiso 1 1 calc R
H57B H 0.1915 0.7663 0.5882 0.083 Uiso 1 1 calc R
H57C H 0.2249 0.7564 0.6284 0.083 Uiso 1 1 calc R
C58 C 0.2344 0.5925 0.7113 0.026 Uani 1 1 d .
O61 O 0.2213 0.5256 0.8332 0.051 Uani 1 1 d .
O62 O 0.2199 0.6161 0.8468 0.034 Uani 1 1 d .
O65 O 0.1726 0.6122 0.9958 0.063 Uani 1 1 d .
C61 C 0.1941 0.5495 0.9007 0.028 Uani 1 1 d .
C62 C 0.1734 0.4911 0.9059 0.010 Uani 1 1 d .
H62 H 0.1727 0.4632 0.8850 0.012 Uiso 1 1 calc R
C63 C 0.1527 0.4749 0.9455 0.064 Uani 1 1 d .
C64 C 0.1515 0.5181 0.9756 0.059 Uani 1 1 d .
H64 H 0.1355 0.5094 1.0012 0.071 Uiso 1 1 calc R
C65 C 0.1768 0.5748 0.9629 0.081 Uani 1 1 d .
C66 C 0.1918 0.5946 0.9266 0.051 Uani 1 1 d .
H66 H 0.1998 0.6338 0.9195 0.061 Uiso 1 1 calc R
C67 C 0.2007 0.6753 0.9873 0.086 Uani 1 1 d .
H67A H 0.2273 0.6782 0.9653 0.129 Uiso 1 1 calc R
H67B H 0.2223 0.6957 1.0116 0.129 Uiso 1 1 calc R
H67C H 0.1705 0.6929 0.9795 0.129 Uiso 1 1 calc R
C68 C 0.2147 0.5643 0.8586 0.038 Uani 1 1 d .
O71 O 0.1410 0.5984 0.7830 0.052 Uani 1 1 d .
O72 O 0.1546 0.5116 0.7668 0.063 Uani 1 1 d .
C78 C 0.1269 0.5433 0.7718 0.024 Uani 1 1 d .
O81 O 0.3061 0.6636 0.7914 0.043 Uani 1 1 d .
O82 O 0.3172 0.5708 0.7949 0.052 Uani 1 1 d .
O85 O 0.5078 0.7955 0.8161 0.061 Uani 1 1 d .
C81 C 0.4032 0.6511 0.7999 0.014 Uani 1 1 d .
C82 C 0.4388 0.6109 0.8024 0.064 Uani 1 1 d .
H82 H 0.4223 0.5701 0.7988 0.077 Uiso 1 1 calc R
C83 C 0.4986 0.6373 0.8103 0.037 Uani 1 1 d .
C84 C 0.5264 0.7002 0.8126 0.064 Uani 1 1 d .
H84 H 0.5674 0.7169 0.8132 0.077 Uiso 1 1 calc R
C85 C 0.4896 0.7334 0.8140 0.060 Uani 1 1 d .
C86 C 0.4286 0.7126 0.8037 0.034 Uani 1 1 d .
H86 H 0.4062 0.7384 0.7996 0.041 Uiso 1 1 calc R
C87 C 0.5440 0.8215 0.8310 0.844 Uani 1 1 d .
H87A H 0.5410 0.8155 0.8600 1.266 Uiso 1 1 calc R
H87B H 0.5479 0.8621 0.8258 1.266 Uiso 1 1 calc R
H87C H 0.5781 0.8119 0.8215 1.266 Uiso 1 1 calc R
C88 C 0.3349 0.6282 0.7946 0.047 Uani 1 1 d .
O91 O 0.2296 0.1296 0.5021 0.028 Uani 1 1 d .
O92 O 0.2201 0.0849 0.4417 0.034 Uani 1 1 d .
O95 O 0.1513 0.2123 0.3518 0.027 Uani 1 1 d .
C91 C 0.2025 0.1777 0.4494 0.028 Uani 1 1 d .
C92 C 0.1993 0.2206 0.4760 0.023 Uani 1 1 d .
H92 H 0.2074 0.2194 0.5041 0.028 Uiso 1 1 calc R
C93 C 0.1827 0.2684 0.4588 0.041 Uani 1 1 d .
C94 C 0.1685 0.2667 0.4179 0.026 Uani 1 1 d .
H94 H 0.1587 0.2981 0.4063 0.031 Uiso 1 1 calc R
C95 C 0.1689 0.2160 0.3925 0.049 Uani 1 1 d .
C96 C 0.1796 0.1709 0.4037 0.056 Uani 1 1 d .
H96 H 0.1745 0.1372 0.3869 0.067 Uiso 1 1 calc R
C97 C 0.1437 0.2631 0.3324 0.058 Uani 1 1 d .
H97A H 0.1433 0.2927 0.3530 0.087 Uiso 1 1 calc R
H97B H 0.1069 0.2519 0.3165 0.087 Uiso 1 1 calc R
H97C H 0.1758 0.2787 0.3147 0.087 Uiso 1 1 calc R
C98 C 0.2205 0.1285 0.4666 0.046 Uani 1 1 d .
O101 O 0.2805 0.0057 0.5474 0.030 Uani 1 1 d .
O102 O 0.2626 -0.0432 0.4894 0.062 Uani 1 1 d .
O105 O 0.3076 -0.2266 0.5079 0.033 Uani 1 1 d .
C101 C 0.2941 -0.0886 0.5427 0.079 Uani 1 1 d .
C102 C 0.2915 -0.1341 0.5166 0.028 Uani 1 1 d .
H102 H 0.2784 -0.1363 0.4891 0.034 Uiso 1 1 calc R
C103 C 0.3123 -0.1811 0.5366 0.034 Uani 1 1 d .
C106 C 0.3046 -0.0828 0.5841 0.058 Uani 1 1 d .
H106 H 0.3013 -0.0508 0.6001 0.070 Uiso 1 1 calc R
C107 C 0.3277 -0.2781 0.5210 0.056 Uani 1 1 d .
H10A H 0.3635 -0.2637 0.5378 0.083 Uiso 1 1 calc R
H10B H 0.3349 -0.2992 0.4971 0.083 Uiso 1 1 calc R
H10C H 0.2975 -0.3041 0.5364 0.083 Uiso 1 1 calc R
C108 C 0.2779 -0.0401 0.5286 0.040 Uani 1 1 d .
O111 O 0.1635 -0.0089 0.4833 0.029 Uani 1 1 d .
O112 O 0.1790 0.0300 0.5464 0.062 Uani 1 1 d .
O115 O -0.0424 -0.1018 0.4655 0.049 Uani 1 1 d .
C111 C 0.0846 -0.0280 0.5263 0.083 Uani 1 1 d .
C112 C 0.0495 -0.0502 0.4915 0.045 Uani 1 1 d .
H112 H 0.0634 -0.0464 0.4650 0.054 Uiso 1 1 calc R
C113 C -0.0109 -0.0799 0.5006 0.078 Uani 1 1 d .
C117 C -0.1036 -0.1398 0.4678 0.054 Uani 1 1 d .
H11A H -0.1042 -0.1740 0.4830 0.081 Uiso 1 1 calc R
H11B H -0.1201 -0.1521 0.4405 0.081 Uiso 1 1 calc R
H11C H -0.1266 -0.1182 0.4813 0.081 Uiso 1 1 calc R
C118 C 0.1534 -0.0001 0.5165 0.038 Uani 1 1 d .
O121 O 0.3351 0.1035 0.5137 0.028 Uani 1 1 d .
O122 O 0.3233 0.0594 0.4524 0.047 Uani 1 1 d .
O125 O 0.4918 0.1708 0.3817 0.079 Uani 1 1 d .
C121 C 0.4075 0.1385 0.4685 0.019 Uani 1 1 d .
C122 C 0.4252 0.1334 0.4322 0.025 Uani 1 1 d .
H122 H 0.4032 0.1030 0.4142 0.031 Uiso 1 1 calc R
C123 C 0.4788 0.1743 0.4193 0.037 Uani 1 1 d .
C124 C 0.5077 0.2202 0.4454 0.046 Uani 1 1 d .
H124 H 0.5417 0.2481 0.4369 0.055 Uiso 1 1 calc R
C125 C 0.4875 0.2270 0.4853 0.048 Uani 1 1 d .
C126 C 0.4314 0.1812 0.4983 0.033 Uani 1 1 d .
H126 H 0.4152 0.1824 0.5238 0.039 Uiso 1 1 calc R
C127 C 0.5436 0.2098 0.3674 0.150 Uani 1 1 d .
H12A H 0.5649 0.2357 0.3897 0.226 Uiso 1 1 calc R
H12B H 0.5335 0.2328 0.3462 0.226 Uiso 1 1 calc R
H12C H 0.5681 0.1876 0.3565 0.226 Uiso 1 1 calc R
C128 C 0.3483 0.0969 0.4788 0.025 Uani 1 1 d .
O131 O 0.4132 0.2775 1.0599 0.039 Uani 1 1 d .
O132 O 0.3733 0.2681 0.9971 0.050 Uani 1 1 d .
C138 C 0.3733 0.2790 1.0308 0.049 Uani 1 1 d .
O141 O 0.4415 0.1766 1.0474 0.034 Uani 1 1 d .
O142 O 0.3947 0.1662 0.9853 0.046 Uani 1 1 d .
O145 O 0.3294 0.0030 1.1197 0.122 Uani 1 1 d .
C141 C 0.3658 0.0973 1.0323 0.043 Uani 1 1 d .
C142 C 0.3187 0.0686 1.0032 0.039 Uani 1 1 d .
H142 H 0.3137 0.0827 0.9773 0.047 Uiso 1 1 calc R
C143 C 0.2775 0.0118 1.0196 0.061 Uani 1 1 d .
C144 C 0.2816 -0.0066 1.0584 0.093 Uani 1 1 d .
H144 H 0.2521 -0.0400 1.0660 0.112 Uiso 1 1 calc R
C145 C 0.3260 0.0202 1.0874 0.098 Uani 1 1 d .
C146 C 0.3639 0.0709 1.0701 0.031 Uani 1 1 d .
H146 H 0.3949 0.0916 1.0882 0.037 Uiso 1 1 calc R
C147 C 0.2979 -0.0412 1.1380 0.220 Uani 1 1 d .
H14A H 0.2662 -0.0310 1.1509 0.330 Uiso 1 1 calc R
H14B H 0.3220 -0.0525 1.1586 0.330 Uiso 1 1 calc R
H14C H 0.2817 -0.0737 1.1185 0.330 Uiso 1 1 calc R
C148 C 0.3996 0.1509 1.0187 0.049 Uani 1 1 d .
O151 O 0.5092 0.3363 1.0168 0.036 Uani 1 1 d .
O152 O 0.4683 0.3204 0.9555 0.045 Uani 1 1 d .
O155 O 0.6027 0.5442 1.0361 0.057 Uani 1 1 d .
C157 C 0.6414 0.6094 1.0349 0.076 Uani 1 1 d .
H15A H 0.6738 0.6121 1.0172 0.114 Uiso 1 1 calc R
H15B H 0.6567 0.6238 1.0621 0.114 Uiso 1 1 calc R
H15C H 0.6178 0.6329 1.0245 0.114 Uiso 1 1 calc R
C151 C 0.5260 0.4168 0.9716 0.062 Uani 1 1 d .
C152 C 0.5461 0.4512 1.0092 0.050 Uani 1 1 d .
H152 H 0.5384 0.4371 1.0355 0.060 Uiso 1 1 calc R
C153 C 0.5797 0.5100 1.0004 0.077 Uani 1 1 d .
C158 C 0.4963 0.3515 0.9797 0.055 Uani 1 1 d .
O161 O 0.5411 0.2370 1.0103 0.040 Uani 1 1 d .
O162 O 0.4946 0.2199 0.9502 0.033 Uani 1 1 d .
O165 O 0.7257 0.1908 0.9915 0.062 Uani 1 1 d .
C161 C 0.5891 0.2050 0.9575 0.030 Uani 1 1 d .
C162 C 0.6346 0.2071 0.9828 0.043 Uani 1 1 d .
H162 H 0.6372 0.2175 1.0107 0.052 Uiso 1 1 calc R
C163 C 0.6801 0.1905 0.9606 0.054 Uani 1 1 d .
C164 C 0.6807 0.1774 0.9217 0.022 Uani 1 1 d .
H164 H 0.7128 0.1692 0.9099 0.027 Uiso 1 1 calc R
C165 C 0.6344 0.1765 0.9008 0.041 Uani 1 1 d .
C166 C 0.5873 0.1909 0.9169 0.033 Uani 1 1 d .
H166 H 0.5547 0.1909 0.9001 0.040 Uiso 1 1 calc R
C167 C 0.7790 0.1721 0.9766 0.040 Uani 1 1 d .
H16A H 0.7700 0.1299 0.9776 0.059 Uiso 1 1 calc R
H16B H 0.8133 0.1908 0.9942 0.059 Uiso 1 1 calc R
H16C H 0.7868 0.1839 0.9489 0.059 Uiso 1 1 calc R
C168 C 0.5390 0.2254 0.9728 0.046 Uani 1 1 d .
O171 O 0.0998 -0.0615 0.8742 0.034 Uani 1 1 d .
O172 O 0.0674 -0.1327 0.9157 0.044 Uani 1 1 d .
C178 C 0.0654 -0.1066 0.8826 0.033 Uani 1 1 d .
O181 O 0.0904 -0.0415 0.9789 0.045 Uani 1 1 d .
O182 O 0.1264 0.0265 0.9333 0.054 Uani 1 1 d .
C188 C 0.0958 0.0072 0.9655 0.035 Uani 1 1 d .
O191 O 0.2031 -0.0739 0.8890 0.046 Uani 1 1 d .
O192 O 0.1725 -0.1421 0.9366 0.033 Uani 1 1 d .
C191 C 0.2403 -0.1542 0.8879 0.035 Uani 1 1 d .
C192 C 0.2510 -0.1947 0.9092 0.067 Uani 1 1 d .
H192 H 0.2358 -0.2032 0.9351 0.080 Uiso 1 1 calc R
C198 C 0.2027 -0.1226 0.9051 0.050 Uani 1 1 d .
O201 O 0.1917 -0.0588 0.9972 0.029 Uani 1 1 d .
O202 O 0.2290 0.0049 0.9521 0.029 Uani 1 1 d .
C208 C 0.2275 -0.0132 0.9852 0.039 Uani 1 1 d .
O211 O 0.2192 0.4518 0.5922 0.045 Uani 1 1 d .
O212 O 0.1940 0.4954 0.5394 0.019 Uani 1 1 d .
C218 C 0.2084 0.4966 0.5732 0.027 Uani 1 1 d .
O221 O 0.1908 0.3110 0.5229 0.022 Uani 1 1 d .
O222 O 0.1784 0.3593 0.4690 0.035 Uani 1 1 d .
C228 C 0.1831 0.3114 0.4882 0.022 Uani 1 1 d .
O231 O 0.1233 0.3593 0.5710 0.044 Uani 1 1 d .
O232 O 0.1001 0.3982 0.5137 0.039 Uani 1 1 d .
O235 O -0.1116 0.3256 0.5050 0.071 Uani 1 1 d .
C231 C 0.0230 0.3498 0.5508 0.036 Uani 1 1 d .
C232 C -0.0159 0.3497 0.5244 0.081 Uani 1 1 d .
H232 H -0.0071 0.3653 0.4987 0.097 Uiso 1 1 calc R
C233 C -0.0747 0.3242 0.5363 0.102 Uani 1 1 d .
C236 C 0.0095 0.3295 0.5918 0.035 Uani 1 1 d .
H236 H 0.0400 0.3328 0.6114 0.042 Uiso 1 1 calc R
C237 C -0.1723 0.2993 0.5101 0.074 Uani 1 1 d .
H23A H -0.1776 0.2762 0.5343 0.112 Uiso 1 1 calc R
H23B H -0.1895 0.2741 0.4865 0.112 Uiso 1 1 calc R
H23C H -0.1914 0.3295 0.5132 0.112 Uiso 1 1 calc R
C238 C 0.0857 0.3697 0.5459 0.025 Uani 1 1 d .
O241 O 0.2849 0.3999 0.5429 0.020 Uani 1 1 d .
O242 O 0.2678 0.4513 0.4920 0.039 Uani 1 1 d .
O245 O 0.4370 0.4776 0.4104 0.037 Uani 1 1 d .
C241 C 0.3612 0.4364 0.5005 0.018 Uani 1 1 d .
C242 C 0.3728 0.4543 0.4615 0.010 Uani 1 1 d .
H242 H 0.3445 0.4641 0.4451 0.012 Uiso 1 1 calc R
C243 C 0.4275 0.4575 0.4468 0.023 Uani 1 1 d .
C244 C 0.4654 0.4408 0.4704 0.027 Uani 1 1 d .
H244 H 0.5029 0.4433 0.4611 0.032 Uiso 1 1 calc R
C245 C 0.4501 0.4198 0.5082 0.031 Uani 1 1 d .
C246 C 0.3973 0.4144 0.5248 0.042 Uani 1 1 d .
H246 H 0.3866 0.3976 0.5499 0.050 Uiso 1 1 calc R
C247 C 0.4926 0.4776 0.3940 0.039 Uani 1 1 d .
H24A H 0.5245 0.5023 0.4113 0.058 Uiso 1 1 calc R
H24B H 0.4952 0.4925 0.3668 0.058 Uiso 1 1 calc R
H24C H 0.4951 0.4379 0.3928 0.058 Uiso 1 1 calc R
C248 C 0.2976 0.4287 0.5131 0.020 Uani 1 1 d .
O251 O 0.0469 0.2794 0.9088 0.040 Uani 1 1 d .
O252 O 0.0068 0.3076 0.9596 0.029 Uani 1 1 d .
O255 O -0.1927 0.2867 0.9138 0.036 Uani 1 1 d .
C251 C -0.0499 0.2813 0.8982 0.050 Uani 1 1 d .
C252 C -0.0485 0.2725 0.8564 0.015 Uani 1 1 d .
H252 H -0.0141 0.2693 0.8449 0.018 Uiso 1 1 calc R
C253 C -0.0972 0.2685 0.8317 0.034 Uani 1 1 d .
C254 C -0.1487 0.2741 0.8539 0.052 Uani 1 1 d .
H254 H -0.1828 0.2748 0.8392 0.063 Uiso 1 1 calc R
C255 C -0.1467 0.2786 0.8981 0.026 Uani 1 1 d .
C256 C -0.0977 0.2837 0.9161 0.044 Uani 1 1 d .
H256 H -0.0952 0.2898 0.9445 0.052 Uiso 1 1 calc R
C257 C -0.2365 0.3002 0.8924 0.046 Uani 1 1 d .
H25A H -0.2195 0.3335 0.8759 0.070 Uiso 1 1 calc R
H25B H -0.2630 0.3098 0.9111 0.070 Uiso 1 1 calc R
H25C H -0.2579 0.2669 0.8748 0.070 Uiso 1 1 calc R
C258 C 0.0053 0.2911 0.9246 0.059 Uani 1 1 d .
O261 O 0.1891 0.3103 0.9784 0.023 Uani 1 1 d .
O262 O 0.1428 0.3213 1.0293 0.036 Uani 1 1 d .
C261 C 0.2320 0.3181 1.0422 0.018 Uani 1 1 d .
C262 C 0.2797 0.2999 1.0260 0.030 Uani 1 1 d .
H262 H 0.2783 0.2897 0.9981 0.036 Uiso 1 1 calc R
C263 C 0.3247 0.2972 1.0488 0.038 Uani 1 1 d .
C264 C 0.3257 0.3155 1.0936 0.021 Uani 1 1 d .
H264 H 0.3573 0.3150 1.1112 0.025 Uiso 1 1 calc R
C265 C 0.2797 0.3327 1.1079 0.028 Uani 1 1 d .
C266 C 0.2323 0.3322 1.0839 0.032 Uani 1 1 d .
H266 H 0.2002 0.3411 1.0951 0.038 Uiso 1 1 calc R
C268 C 0.1860 0.3153 1.0142 0.019 Uani 1 1 d .
O271 O 0.1401 0.3787 0.9301 0.026 Uani 1 1 d .
O272 O 0.1013 0.3986 0.9859 0.034 Uani 1 1 d .
C278 C 0.1261 0.4112 0.9550 0.038 Uani 1 1 d .
O281 O 0.0995 0.2169 0.9557 0.036 Uani 1 1 d .
O282 O 0.0483 0.2312 1.0070 0.044 Uani 1 1 d .
O285 O 0.0246 0.0642 1.0899 0.034 Uani 1 1 d .
C281 C 0.0648 0.1414 0.9988 0.041 Uani 1 1 d .
C282 C 0.0472 0.1304 1.0392 0.053 Uani 1 1 d .
H282 H 0.0396 0.1595 1.0559 0.063 Uiso 1 1 calc R
C283 C 0.0417 0.0752 1.0533 0.019 Uani 1 1 d .
C284 C 0.0603 0.0360 1.0291 0.021 Uani 1 1 d .
H284 H 0.0610 -0.0001 1.0392 0.025 Uiso 1 1 calc R
C285 C 0.0767 0.0498 0.9926 0.027 Uani 1 1 d .
C286 C 0.0881 0.1051 0.9761 0.041 Uani 1 1 d .
H286 H 0.1092 0.1162 0.9525 0.050 Uiso 1 1 calc R
C287 C 0.0197 0.0065 1.1065 0.055 Uani 1 1 d .
H28A H -0.0016 -0.0242 1.0869 0.083 Uiso 1 1 calc R
H28B H -0.0010 0.0026 1.1316 0.083 Uiso 1 1 calc R
H28C H 0.0587 0.0032 1.1119 0.083 Uiso 1 1 calc R
C288 C 0.0739 0.1998 0.9856 0.044 Uani 1 1 d .
O291 O 0.0078 0.0738 0.2534 0.043 Uani 1 1 d .
O292 O 0.0779 0.1522 0.2764 0.036 Uani 1 1 d .
O295 O 0.0935 0.2827 0.1568 0.033 Uani 1 1 d .
C291 C 0.0358 0.1456 0.2101 0.040 Uani 1 1 d .
C292 C 0.0701 0.2044 0.2010 0.030 Uani 1 1 d .
H292 H 0.1005 0.2251 0.2197 0.036 Uiso 1 1 calc R
C293 C 0.0603 0.2313 0.1664 0.039 Uani 1 1 d .
C294 C 0.0155 0.1978 0.1344 0.048 Uani 1 1 d .
H294 H 0.0101 0.2138 0.1094 0.058 Uiso 1 1 calc R
C295 C -0.0179 0.1412 0.1443 0.038 Uani 1 1 d .
C296 C -0.0073 0.1184 0.1807 0.039 Uani 1 1 d .
H296 H -0.0317 0.0807 0.1860 0.047 Uiso 1 1 calc R
C297 C 0.0873 0.3139 0.1223 0.053 Uani 1 1 d .
H29A H 0.0899 0.2912 0.0979 0.079 Uiso 1 1 calc R
H29B H 0.1182 0.3510 0.1231 0.079 Uiso 1 1 calc R
H29C H 0.0495 0.3209 0.1220 0.079 Uiso 1 1 calc R
C298 C 0.0462 0.1282 0.2491 0.036 Uani 1 1 d .
O301 O -0.0245 0.0366 0.3595 0.042 Uani 1 1 d .
O302 O 0.0571 0.1100 0.3831 0.045 Uani 1 1 d .
C301 C -0.0059 0.0624 0.4279 0.053 Uani 1 1 d .
C302 C 0.0296 0.0891 0.4635 0.031 Uani 1 1 d .
H302 H 0.0678 0.1140 0.4603 0.038 Uiso 1 1 calc R
C306 C -0.0628 0.0318 0.4348 0.062 Uani 1 1 d .
H306 H -0.0878 0.0127 0.4126 0.075 Uiso 1 1 calc R
C308 C 0.0045 0.0684 0.3871 0.028 Uani 1 1 d .
O311 O -0.0542 0.1069 0.3082 0.041 Uani 1 1 d .
O312 O 0.0240 0.1818 0.3326 0.038 Uani 1 1 d .
O315 O -0.0489 0.3515 0.3160 0.045 Uani 1 1 d .
C311 C -0.0687 0.1968 0.3140 0.029 Uani 1 1 d .
C312 C -0.0459 0.2578 0.3178 0.022 Uani 1 1 d .
H312 H -0.0059 0.2754 0.3249 0.027 Uiso 1 1 calc R
C313 C -0.0794 0.2896 0.3117 0.066 Uani 1 1 d .
C317 C -0.0869 0.3875 0.3206 0.091 Uani 1 1 d .
H31A H -0.0897 0.4065 0.2954 0.137 Uiso 1 1 calc R
H31B H -0.0710 0.4170 0.3423 0.137 Uiso 1 1 calc R
H31C H -0.1256 0.3633 0.3274 0.137 Uiso 1 1 calc R
C318 C -0.0288 0.1594 0.3193 0.016 Uani 1 1 d .
O321 O 0.0455 0.0067 0.3069 0.032 Uani 1 1 d .
O322 O 0.1198 0.0867 0.3235 0.040 Uani 1 1 d .
O325 O 0.2918 0.0082 0.3174 0.053 Uani 1 1 d .
C321 C 0.1360 -0.0033 0.3090 0.072 Uani 1 1 d .
C322 C 0.1946 0.0220 0.3132 0.059 Uani 1 1 d .
H322 H 0.2094 0.0629 0.3174 0.071 Uiso 1 1 calc R
C323 C 0.2372 -0.0134 0.3112 0.048 Uani 1 1 d .
C326 C 0.1056 -0.0597 0.3022 0.065 Uani 1 1 d .
H326 H 0.0647 -0.0756 0.2986 0.078 Uiso 1 1 calc R
C327 C 0.3226 0.0378 0.3308 0.449 Uani 1 1 d .
H32A H 0.3128 0.0742 0.3316 0.674 Uiso 1 1 calc R
H32B H 0.3584 0.0429 0.3163 0.674 Uiso 1 1 calc R
H32C H 0.3284 0.0267 0.3584 0.674 Uiso 1 1 calc R
C328 C 0.0988 0.0339 0.3130 0.079 Uani 1 1 d .
O331 O 0.5874 0.6226 0.8233 0.042 Uani 1 1 d .
O332 O 0.5081 0.5451 0.8094 0.039 Uani 1 1 d .
C338 C 0.5325 0.5974 0.8138 0.051 Uani 1 1 d .
O341 O 0.6810 0.5202 0.8330 0.033 Uani 1 1 d .
O342 O 0.6037 0.4447 0.8082 0.059 Uani 1 1 d .
O345 O 0.8505 0.4511 0.8154 0.042 Uani 1 1 d .
C341 C 0.6996 0.4325 0.8158 0.043 Uani 1 1 d .
C342 C 0.6773 0.3738 0.8046 0.034 Uani 1 1 d .
H342 H 0.6363 0.3572 0.8016 0.040 Uiso 1 1 calc R
C343 C 0.7102 0.3403 0.7981 0.023 Uani 1 1 d .
C344 C 0.7753 0.3636 0.8038 0.061 Uani 1 1 d .
H344 H 0.8020 0.3417 0.8039 0.073 Uiso 1 1 calc R
C345 C 0.7898 0.4278 0.8093 0.051 Uani 1 1 d .
C346 C 0.7585 0.4583 0.8169 0.063 Uani 1 1 d .
H346 H 0.7748 0.4986 0.8234 0.076 Uiso 1 1 calc R
C347 C 0.8907 0.4167 0.8171 0.061 Uani 1 1 d .
H34A H 0.8742 0.3823 0.8328 0.092 Uiso 1 1 calc R
H34B H 0.9277 0.4400 0.8300 0.092 Uiso 1 1 calc R
H34C H 0.8971 0.4045 0.7897 0.092 Uiso 1 1 calc R
C348 C 0.6549 0.4653 0.8166 0.041 Uani 1 1 d .
O351 O 0.6093 0.5563 0.8835 0.047 Uani 1 1 d .
O352 O 0.5385 0.4789 0.8614 0.034 Uani 1 1 d .
C351 C 0.5617 0.4923 0.9340 0.026 Uani 1 1 d .
C352 C 0.5317 0.4351 0.9337 0.038 Uani 1 1 d .
H352 H 0.5168 0.4113 0.9102 0.046 Uiso 1 1 calc R
C356 C 0.5908 0.5347 0.9633 0.025 Uani 1 1 d .
H356 H 0.6138 0.5731 0.9586 0.029 Uiso 1 1 calc R
C358 C 0.5682 0.5047 0.8901 0.019 Uani 1 1 d .
O361 O 0.6547 0.5799 0.7746 0.053 Uani 1 1 d .
O362 O 0.5721 0.5087 0.7528 0.055 Uani 1 1 d .
O365 O 0.7843 0.5940 0.6581 0.059 Uani 1 1 d .
C361 C 0.6459 0.5328 0.7071 0.027 Uani 1 1 d .
C362 C 0.6167 0.4899 0.6818 0.019 Uani 1 1 d .
H362 H 0.5802 0.4647 0.6888 0.023 Uiso 1 1 calc R
C363 C 0.6391 0.4818 0.6453 0.022 Uani 1 1 d .
C364 C 0.6955 0.5101 0.6352 0.047 Uani 1 1 d .
H364 H 0.7129 0.4997 0.6121 0.056 Uiso 1 1 calc R
C365 C 0.7260 0.5586 0.6644 0.050 Uani 1 1 d .
C366 C 0.7051 0.5686 0.7020 0.038 Uani 1 1 d .
H366 H 0.7273 0.5959 0.7219 0.046 Uiso 1 1 calc R
C367 C 0.8138 0.5843 0.6202 0.056 Uani 1 1 d .
H36A H 0.8185 0.5455 0.6199 0.083 Uiso 1 1 calc R
H36B H 0.8520 0.6135 0.6197 0.083 Uiso 1 1 calc R
H36C H 0.7899 0.5877 0.5966 0.083 Uiso 1 1 calc R
C368 C 0.6242 0.5409 0.7493 0.054 Uani 1 1 d .
O371 O 0.5715 0.0919 0.7657 0.049 Uani 1 1 d .
O372 O 0.6581 0.0803 0.7815 0.033 Uani 1 1 d .
C371 C 0.5894 -0.0004 0.7592 0.039 Uani 1 1 d .
C372 C 0.5258 -0.0206 0.7510 0.012 Uani 1 1 d .
H372 H 0.5027 0.0048 0.7534 0.014 Uiso 1 1 calc R
C376 C 0.6204 -0.0369 0.7599 0.053 Uani 1 1 d .
H376 H 0.6608 -0.0222 0.7666 0.063 Uiso 1 1 calc R
C378 C 0.6036 0.0684 0.7678 0.043 Uani 1 1 d .
O381 O 0.6339 0.2580 0.7911 0.043 Uani 1 1 d .
O382 O 0.7231 0.2481 0.7839 0.025 Uani 1 1 d .
C388 C 0.6866 0.2827 0.7893 0.035 Uani 1 1 d .
O391 O 0.6123 0.1879 0.7225 0.031 Uani 1 1 d .
O392 O 0.6998 0.1648 0.7257 0.037 Uani 1 1 d .
C398 C 0.6574 0.1813 0.7090 0.028 Uani 1 1 d .
O401 O 0.5891 0.1656 0.8324 0.046 Uani 1 1 d .
O402 O 0.6820 0.1665 0.8414 0.040 Uani 1 1 d .
C408 C 0.6342 0.1677 0.8562 0.044 Uani 1 1 d .
O411 O -0.3341 0.1963 0.2254 0.046 Uani 1 1 d .
O412 O -0.3120 0.1113 0.2231 0.033 Uani 1 1 d .
O415 O -0.2978 0.2702 0.0832 0.059 Uani 1 1 d .
C411 C -0.2999 0.1653 0.1650 0.037 Uani 1 1 d .
C412 C -0.3094 0.2121 0.1477 0.039 Uani 1 1 d .
H412 H -0.3299 0.2344 0.1613 0.046 Uiso 1 1 calc R
C413 C -0.2882 0.2267 0.1094 0.050 Uani 1 1 d .
C416 C -0.2671 0.1339 0.1511 0.031 Uani 1 1 d .
H416 H -0.2614 0.1019 0.1646 0.037 Uiso 1 1 calc R
C417 C -0.3377 0.3002 0.0960 0.061 Uani 1 1 d .
H41A H -0.3769 0.2727 0.0961 0.091 Uiso 1 1 calc R
H41B H -0.3374 0.3308 0.0773 0.091 Uiso 1 1 calc R
H41C H -0.3260 0.3173 0.1232 0.091 Uiso 1 1 calc R
C418 C -0.3186 0.1532 0.2076 0.025 Uani 1 1 d .
O421 O -0.3295 0.1854 0.3412 0.030 Uani 1 1 d .
O422 O -0.3353 0.0889 0.3329 0.051 Uani 1 1 d .
C421 C -0.3211 0.1311 0.3998 0.036 Uani 1 1 d .
C422 C -0.3230 0.1820 0.4234 0.014 Uani 1 1 d .
H422 H -0.3313 0.2139 0.4114 0.017 Uiso 1 1 calc R
C428 C -0.3302 0.1450 0.3545 0.056 Uani 1 1 d .
O431 O -0.2416 0.1357 0.2919 0.051 Uani 1 1 d .
O432 O -0.2518 0.2224 0.2853 0.030 Uani 1 1 d .
C431 C -0.1562 0.2103 0.3003 0.044 Uani 1 1 d .
C432 C -0.1263 0.1743 0.3058 0.033 Uani 1 1 d .
H432 H -0.1445 0.1336 0.3042 0.039 Uiso 1 1 calc R
C436 C -0.1380 0.2738 0.3039 0.042 Uani 1 1 d .
H436 H -0.1617 0.2985 0.3014 0.050 Uiso 1 1 calc R
C438 C -0.2148 0.1929 0.2918 0.067 Uani 1 1 d .
O441 O -0.4196 0.1566 0.2823 0.043 Uani 1 1 d .
O442 O -0.4093 0.0721 0.2668 0.038 Uani 1 1 d .
O445 O -0.6327 0.1273 0.2471 0.078 Uani 1 1 d .
C441 C -0.5005 0.0826 0.2609 0.026 Uani 1 1 d .
C442 C -0.5373 0.1195 0.2591 0.025 Uani 1 1 d .
H442 H -0.5210 0.1599 0.2650 0.031 Uiso 1 1 calc R
C443 C -0.5959 0.0973 0.2490 0.055 Uani 1 1 d .
C447 C -0.6050 0.1862 0.2790 0.389 Uani 1 1 d .
H44A H -0.5875 0.1747 0.3031 0.583 Uiso 1 1 calc R
H44B H -0.6363 0.2019 0.2868 0.583 Uiso 1 1 calc R
H44C H -0.5754 0.2158 0.2655 0.583 Uiso 1 1 calc R
C448 C -0.4377 0.1050 0.2704 0.036 Uani 1 1 d .
O451 O 0.5607 0.3095 0.5032 0.039 Uani 1 1 d .
O452 O 0.4954 0.2701 0.5492 0.030 Uani 1 1 d .
C458 C 0.5146 0.2713 0.5152 0.055 Uani 1 1 d .
O461 O 0.4744 0.3754 0.5664 0.037 Uani 1 1 d .
O462 O 0.5427 0.4120 0.5216 0.027 Uani 1 1 d .
C468 C 0.4919 0.4013 0.5327 0.022 Uani 1 1 d .
O471 O 0.5737 0.2954 0.6110 0.035 Uani 1 1 d .
O472 O 0.6421 0.3247 0.5634 0.033 Uani 1 1 d .
O475 O 0.7673 0.2020 0.5849 0.040 Uani 1 1 d .
C471 C 0.6516 0.2568 0.6121 0.041 Uani 1 1 d .
C472 C 0.6982 0.2482 0.5913 0.061 Uani 1 1 d .
H472 H 0.7104 0.2662 0.5667 0.073 Uiso 1 1 calc R
C473 C 0.7253 0.2115 0.6094 0.051 Uani 1 1 d .
C474 C 0.7154 0.1919 0.6480 0.015 Uani 1 1 d .
H474 H 0.7396 0.1727 0.6609 0.018 Uiso 1 1 calc R
C475 C 0.6684 0.2015 0.6672 0.038 Uani 1 1 d .
C476 C 0.6370 0.2311 0.6506 0.030 Uani 1 1 d .
H476 H 0.6045 0.2358 0.6640 0.036 Uiso 1 1 calc R
C477 C 0.8004 0.1622 0.5968 0.090 Uani 1 1 d .
H47A H 0.8215 0.1760 0.6227 0.134 Uiso 1 1 calc R
H47B H 0.8282 0.1610 0.5762 0.134 Uiso 1 1 calc R
H47C H 0.7736 0.1232 0.5995 0.134 Uiso 1 1 calc R
C478 C 0.6210 0.2981 0.5982 0.035 Uani 1 1 d .
O481 O 0.6311 0.4315 0.5829 0.037 Uani 1 1 d .
O482 O 0.5612 0.4007 0.6259 0.037 Uani 1 1 d .
C488 C 0.6083 0.4336 0.6181 0.043 Uani 1 1 d .
O501 O 0.2198 -0.2890 0.2883 0.033 Uani 1 1 d .
O502 O -0.3402 0.2834 0.2873 0.033 Uani 1 1 d .
C502 C -0.3834 0.3055 0.3040 0.109 Uani 1 1 d .
O503 O 0.2486 0.4467 0.7709 0.081 Uani 1 1 d .
O504 O 0.7832 0.1596 0.7863 0.036 Uani 1 1 d .
C504 C 0.8074 0.1170 0.8015 0.131 Uani 1 1 d .
O505 O 0.2107 0.7210 0.7879 0.033 Uani 1 1 d .
O506 O -0.0532 -0.2523 0.2694 0.081 Uani 1 1 d .
O507 O 0.5073 0.1823 0.7678 0.064 Uani 1 1 d .
O508 O -0.3139 0.0087 0.2674 0.072 Uani 1 1 d .
O509 O 0.7132 0.6504 0.8520 0.029 Uani 1 1 d .
C509 C 0.7621 0.6434 0.8319 0.067 Uani 1 1 d .
O510 O 0.1605 0.4821 0.4526 0.052 Uani 1 1 d .
C510 C 0.1189 0.5171 0.4655 0.114 Uani 1 1 d .
O511 O 0.6660 0.4169 0.4989 0.044 Uani 1 1 d .
O512 O 0.1685 0.2779 0.8867 0.086 Uani 1 1 d .
O514 O 0.4563 0.2919 0.6318 0.070 Uani 1 1 d .
O515 O 0.2763 0.1221 0.5895 0.050 Uani 1 1 d .
O516 O 0.2223 0.3343 0.6159 0.075 Uani 1 1 d .
O517 O -0.0890 -0.0210 0.2877 0.101 Uani 1 1 d .
O518 O 0.5299 0.2971 1.0939 0.075 Uani 1 1 d .
O519 O 0.0804 -0.1678 1.0008 0.050 Uani 1 1 d .
O520 O 0.2033 -0.0304 0.4058 0.060 Uani 1 1 d .
O521 O 0.2092 0.0471 0.8674 0.092 Uani 1 1 d .
O522 O 0.4806 0.4098 0.7864 0.090 Uani 1 1 d .
O523 O 0.0153 0.3386 1.0458 0.047 Uani 1 1 d .
C523 C -0.0213 0.3806 1.0317 0.141 Uani 1 1 d .
O524 O 0.3783 0.2240 0.9109 0.053 Uani 1 1 d .
N1A N 0.5528 0.6468 0.6870 0.268 Uani 1 1 d .
C1A C 0.6712 0.6608 0.6127 0.169 Uani 1 1 d .
C2A C 0.6655 0.7035 0.5772 0.142 Uani 1 1 d .
C3A C 0.6057 0.7153 0.5730 0.240 Uani 1 1 d .
C4A C 0.5845 0.7121 0.6140 0.141 Uani 1 1 d .
C5A C 0.5909 0.6712 0.6502 0.435 Uani 1 1 d .
C1B C 0.1621 0.1219 0.1410 0.198 Uani 1 1 d .
C2B C 0.1585 0.0504 0.1862 0.309 Uani 1 1 d .
C3B C 0.2190 0.1029 0.0967 0.220 Uani 1 1 d .
C4B C 0.2042 0.1683 0.0755 0.109 Uani 1 1 d .
C5B C 0.1654 0.1744 0.1108 0.086 Uani 1 1 d .
C1C C -0.0295 0.4973 0.4194 0.253 Uani 1 1 d .
C2C C 0.0239 0.4755 0.3821 0.268 Uani 1 1 d .
C3C C 0.0352 0.4021 0.3829 0.307 Uani 1 1 d .
C4C C 0.9634 0.3972 0.4189 0.259 Uani 1 1 d .
N1D N 0.5541 -0.0227 0.4362 0.348 Uani 1 1 d .
O1D O 0.5408 0.0334 0.4363 0.206 Uani 1 1 d .
C1D C 0.6195 0.0520 0.5857 0.243 Uani 1 1 d .
C2D C 0.6075 0.0472 0.5420 0.299 Uani 1 1 d .
C3D C 0.5714 0.0262 0.4753 0.259 Uani 1 1 d .
C4D C 0.5583 0.1076 0.5005 0.225 Uani 1 1 d .
C5D C 0.5748 0.1327 0.5385 0.122 Uani 1 1 d .
C6D C 0.5765 0.1030 0.5863 0.200 Uani 1 1 d .
C1E C 0.9853 0.5083 0.8900 0.331 Uani 1 1 d .
C2E C 0.9197 0.5127 0.8968 0.175 Uani 1 1 d .
C3E C 0.9050 0.4568 0.9241 0.279 Uani 1 1 d .
N1F N 0.4993 0.0555 -0.0603 0.220 Uani 1 1 d .
O1F O 0.5423 0.0333 -0.0714 0.150 Uani 1 1 d .
C1F C 0.5024 0.0690 -0.0273 0.221 Uani 1 1 d .
C2F C 0.5330 0.0945 0.0281 0.509 Uani 1 1 d .
C3F C 0.5505 0.1216 0.0844 0.268 Uani 1 1 d .
C4F C 0.6001 0.0882 0.0738 0.127 Uani 1 1 d .
C5F C 0.6242 0.0699 0.0239 0.154 Uani 1 1 d .
O1M O 0.0605 0.9346 0.3899 0.160 Uani 1 1 d .
C1M C 0.0777 0.8708 0.4045 0.123 Uani 1 1 d .
O5M O 0.0360 0.9233 0.1990 0.377 Uani 1 1 d .
C5M C -0.0333 0.9326 0.1942 0.234 Uani 1 1 d .
O7M O 0.6799 0.4088 0.9294 0.352 Uani 1 1 d .
C7M C 0.6590 0.3795 0.9725 0.328 Uani 1 1 d .
O8M O 0.8736 0.1553 0.4544 0.501 Uani 1 1 d .
C8M C 0.9592 0.2049 0.4642 0.556 Uani 1 1 d .
O1W O 0.2385 0.2033 0.2720 0.240 Uani 1 1 d .
O2W O 0.2400 0.5792 0.4232 0.152 Uani 1 1 d .
O3W O 0.1949 0.9752 0.6469 0.298 Uani 1 1 d .
O4W O 0.7039 0.7387 0.7714 0.303 Uani 1 1 d .
O5W O 0.9236 0.2644 0.0786 0.136 Uani 1 1 d .
O6W O 0.2502 0.1617 0.9376 0.239 Uani 1 1 d .
O7W O 0.3364 0.2526 0.5607 0.241 Uani 1 1 d .
O8W O 0.2302 0.5976 0.2999 0.314 Uani 1 1 d .
O9W O 0.1647 0.9335 0.7786 0.212 Uani 1 1 d .
O10W O 0.5163 0.3039 0.8461 0.314 Uani 1 1 d .
O11W O 0.0916 0.7368 0.7994 0.349 Uani 1 1 d .
O12W O 0.9776 0.8552 0.1385 0.249 Uani 1 1 d .
O13W O 0.4394 0.5622 0.8890 0.158 Uani 1 1 d .
O14W O 0.6298 0.4237 0.0989 0.182 Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O11 Cu1 O32 87.0 . .
O11 Cu1 O22 173.8 . .
O32 Cu1 O22 89.3 . .
O11 Cu1 O42 88.7 . .
O32 Cu1 O42 165.1 . .
O22 Cu1 O42 93.6 . .
O11 Cu1 O501 88.7 . .
O32 Cu1 O501 89.4 . .
O22 Cu1 O501 96.3 . .
O42 Cu1 O501 104.8 . .
O11 Cu1 Cu6 89.3 . .
O32 Cu1 Cu6 81.7 . .
O22 Cu1 Cu6 85.2 . .
O42 Cu1 Cu6 84.0 . .
O501 Cu1 Cu6 170.9 . .
O421 Cu2 O441 92.3 . .
O421 Cu2 O432 86.5 . .
O441 Cu2 O432 168.5 . .
O421 Cu2 O411 166.8 . .
O441 Cu2 O411 92.3 . .
O432 Cu2 O411 86.5 . .
O421 Cu2 O502 99.3 . .
O441 Cu2 O502 99.0 . .
O432 Cu2 O502 92.4 . .
O411 Cu2 O502 92.2 . .
O421 Cu2 Cu8 83.2 . .
O441 Cu2 Cu8 84.7 . .
O432 Cu2 Cu8 83.9 . .
O411 Cu2 Cu8 84.9 . .
O502 Cu2 Cu8 175.4 . .
O61 Cu3 O51 170.7 . .
O61 Cu3 O72 89.0 . .
O51 Cu3 O72 88.9 . .
O61 Cu3 O82 88.1 . .
O51 Cu3 O82 91.7 . .
O72 Cu3 O82 166.3 . .
O61 Cu3 O503 95.6 . .
O51 Cu3 O503 93.7 . .
O72 Cu3 O503 99.2 . .
O82 Cu3 O503 94.5 . .
O61 Cu3 Cu5 83.9 . .
O51 Cu3 Cu5 86.8 . .
O72 Cu3 Cu5 81.9 . .
O82 Cu3 Cu5 84.5 . .
O503 Cu3 Cu5 178.8 . .
O402 Cu4 O372 90.7 . .
O402 Cu4 O382 91.0 . .
O372 Cu4 O382 169.6 . .
O402 Cu4 O392 169.5 . .
O372 Cu4 O392 90.8 . .
O382 Cu4 O392 85.7 . .
O402 Cu4 O504 102.0 . .
O372 Cu4 O504 97.7 . .
O382 Cu4 O504 92.0 . .
O392 Cu4 O504 88.1 . .
O402 Cu4 Cu7 82.2 . .
O372 Cu4 Cu7 85.9 . .
O382 Cu4 Cu7 84.2 . .
O392 Cu4 Cu7 87.5 . .
O504 Cu4 Cu7 174.4 . .
O81 Cu5 O71 172.6 . .
O81 Cu5 O52 89.1 . .
O71 Cu5 O52 85.5 . .
O81 Cu5 O62 94.6 . .
O71 Cu5 O62 89.5 . .
O52 Cu5 O62 165.9 . .
O81 Cu5 O505 95.0 . .
O71 Cu5 O505 89.9 . .
O52 Cu5 O505 88.2 . .
O62 Cu5 O505 105.1 . .
O81 Cu5 Cu3 86.5 . .
O71 Cu5 Cu3 87.8 . .
O52 Cu5 Cu3 82.2 . .
O62 Cu5 Cu3 84.4 . .
O505 Cu5 Cu3 170.2 . .
O31 Cu6 O41 170.8 . .
O31 Cu6 O12 87.9 . .
O41 Cu6 O12 87.6 . .
O31 Cu6 O21 91.4 . .
O41 Cu6 O21 91.4 . .
O12 Cu6 O21 168.2 . .
O31 Cu6 O506 92.1 . .
O41 Cu6 O506 96.4 . .
O12 Cu6 O506 96.5 . .
O21 Cu6 O506 95.3 . .
O31 Cu6 Cu1 87.1 . .
O41 Cu6 Cu1 84.5 . .
O12 Cu6 Cu1 83.7 . .
O21 Cu6 Cu1 84.5 . .
O506 Cu6 Cu1 179.1 . .
O401 Cu7 O391 170.1 . .
O401 Cu7 O371 92.6 . .
O391 Cu7 O371 89.9 . .
O401 Cu7 O381 85.9 . .
O391 Cu7 O381 89.5 . .
O371 Cu7 O381 167.2 . .
O401 Cu7 O507 95.8 . .
O391 Cu7 O507 93.4 . .
O371 Cu7 O507 95.6 . .
O381 Cu7 O507 97.1 . .
O401 Cu7 Cu4 86.7 . .
O391 Cu7 Cu4 84.2 . .
O371 Cu7 Cu4 82.8 . .
O381 Cu7 Cu4 84.5 . .
O507 Cu7 Cu4 177.1 . .
O422 Cu8 O412 170.6 . .
O422 Cu8 O442 91.0 . .
O412 Cu8 O442 91.4 . .
O422 Cu8 O431 85.8 . .
O412 Cu8 O431 89.6 . .
O442 Cu8 O431 165.2 . .
O422 Cu8 O508 96.8 . .
O412 Cu8 O508 91.7 . .
O442 Cu8 O508 98.7 . .
O431 Cu8 O508 96.1 . .
O422 Cu8 Cu2 86.8 . .
O412 Cu8 Cu2 84.6 . .
O442 Cu8 Cu2 82.1 . .
O431 Cu8 Cu2 83.2 . .
O508 Cu8 Cu2 176.3 . .
O331 Cu9 O361 92.1 . .
O331 Cu9 O351 91.1 . .
O361 Cu9 O351 170.2 . .
O331 Cu9 O341 174.7 . .
O361 Cu9 O341 86.1 . .
O351 Cu9 O341 89.9 . .
O331 Cu9 O509 92.9 . .
O361 Cu9 O509 95.6 . .
O351 Cu9 O509 93.5 . .
O341 Cu9 O509 92.3 . .
O331 Cu9 Cu22 88.0 . .
O361 Cu9 Cu22 86.0 . .
O351 Cu9 Cu22 84.8 . .
O341 Cu9 Cu22 86.9 . .
O509 Cu9 Cu22 178.1 . .
O222 Cu10 O212 168.3 . .
O222 Cu10 O232 91.2 . .
O212 Cu10 O232 91.1 . .
O222 Cu10 O242 85.0 . .
O212 Cu10 O242 90.8 . .
O232 Cu10 O242 169.5 . .
O222 Cu10 O510 101.1 . .
O212 Cu10 O510 90.3 . .
O232 Cu10 O510 92.4 . .
O242 Cu10 O510 98.0 . .
O222 Cu10 Cu16 85.2 . .
O212 Cu10 Cu16 83.6 . .
O232 Cu10 Cu16 85.4 . .
O242 Cu10 Cu16 84.5 . .
O510 Cu10 Cu16 173.4 . .
O451 Cu11 O472 88.5 . .
O451 Cu11 O481 170.5 . .
O472 Cu11 O481 89.5 . .
O451 Cu11 O462 87.7 . .
O472 Cu11 O462 167.2 . .
O481 Cu11 O462 92.3 . .
O451 Cu11 O511 96.5 . .
O472 Cu11 O511 97.0 . .
O481 Cu11 O511 92.9 . .
O462 Cu11 O511 95.5 . .
O451 Cu11 Cu14 88.7 . .
O472 Cu11 Cu14 86.7 . .
O481 Cu11 Cu14 81.9 . .
O462 Cu11 Cu14 81.1 . .
O511 Cu11 Cu14 173.6 . .
O281 Cu12 O261 87.8 . .
O281 Cu12 O271 167.8 . .
O261 Cu12 O271 91.2 . .
O281 Cu12 O251 88.5 . .
O261 Cu12 O251 166.7 . .
O271 Cu12 O251 89.7 . .
O281 Cu12 O512 96.4 . .
O261 Cu12 O512 98.3 . .
O271 Cu12 O512 95.7 . .
O251 Cu12 O512 94.9 . .
O281 Cu12 Cu23 84.9 . .
O261 Cu12 Cu23 82.5 . .
O271 Cu12 Cu23 83.0 . .
O251 Cu12 Cu23 84.4 . .
O512 Cu12 Cu23 178.5 . .
O292 Cu13 O322 92.3 . .
O292 Cu13 O312 85.2 . .
O322 Cu13 O312 174.3 . .
O292 Cu13 O302 168.7 . .
O322 Cu13 O302 90.6 . .
O312 Cu13 O302 91.0 . .
O292 Cu13 O95 97.3 . .
O322 Cu13 O95 94.0 . .
O312 Cu13 O95 91.3 . .
O302 Cu13 O95 93.4 . .
O292 Cu13 Cu17 84.1 . .
O322 Cu13 Cu17 86.2 . .
O312 Cu13 Cu17 88.5 . .
O302 Cu13 Cu17 85.2 . .
O95 Cu13 Cu17 178.5 . .
O471 Cu14 O461 173.5 . .
O471 Cu14 O482 89.2 . .
O461 Cu14 O482 90.3 . .
O471 Cu14 O452 87.9 . .
O461 Cu14 O452 91.3 . .
O482 Cu14 O452 168.2 . .
O471 Cu14 O514 93.1 . .
O461 Cu14 O514 93.5 . .
O482 Cu14 O514 97.3 . .
O452 Cu14 O514 94.2 . .
O471 Cu14 Cu11 84.3 . .
O461 Cu14 Cu11 89.1 . .
O482 Cu14 Cu11 87.0 . .
O452 Cu14 Cu11 81.4 . .
O514 Cu14 Cu11 174.9 . .
O101 Cu15 O112 88.8 . .
O101 Cu15 O121 86.8 . .
O112 Cu15 O121 173.2 . .
O101 Cu15 O91 166.0 . .
O112 Cu15 O91 91.8 . .
O121 Cu15 O91 91.2 . .
O101 Cu15 O515 99.1 . .
O112 Cu15 O515 92.6 . .
O121 Cu15 O515 93.3 . .
O91 Cu15 O515 94.9 . .
O101 Cu15 Cu20 83.3 . .
O112 Cu15 Cu20 92.1 . .
O121 Cu15 Cu20 82.2 . .
O91 Cu15 Cu20 82.6 . .
O515 Cu15 Cu20 174.8 . .
O231 Cu16 O221 92.0 . .
O231 Cu16 O241 168.7 . .
O221 Cu16 O241 85.8 . .
O231 Cu16 O211 88.8 . .
O221 Cu16 O211 168.4 . .
O241 Cu16 O211 91.2 . .
O231 Cu16 O516 93.8 . .
O221 Cu16 O516 99.6 . .
O241 Cu16 O516 97.5 . .
O211 Cu16 O516 91.8 . .
O231 Cu16 Cu10 84.4 . .
O221 Cu16 Cu10 83.3 . .
O241 Cu16 Cu10 84.4 . .
O211 Cu16 Cu10 85.3 . .
O516 Cu16 Cu10 176.7 . .
O301 Cu17 O291 171.1 . .
O301 Cu17 O321 91.1 . .
O291 Cu17 O321 90.9 . .
O301 Cu17 O311 89.8 . .
O291 Cu17 O311 86.3 . .
O321 Cu17 O311 166.9 . .
O301 Cu17 O517 92.4 . .
O291 Cu17 O517 95.8 . .
O321 Cu17 O517 99.7 . .
O311 Cu17 O517 93.3 . .
O301 Cu17 Cu13 86.8 . .
O291 Cu17 Cu13 84.9 . .
O321 Cu17 Cu13 83.8 . .
O311 Cu17 Cu13 83.1 . .
O517 Cu17 Cu13 176.4 . .
O161 Cu18 O141 90.5 . .
O161 Cu18 O151 89.4 . .
O141 Cu18 O151 164.8 . .
O161 Cu18 O131 170.9 . .
O141 Cu18 O131 88.0 . .
O151 Cu18 O131 89.7 . .
O161 Cu18 O518 100.7 . .
O141 Cu18 O518 108.4 . .
O151 Cu18 O518 86.6 . .
O131 Cu18 O518 88.3 . .
O161 Cu18 Cu24 83.2 . .
O141 Cu18 Cu24 87.2 . .
O151 Cu18 Cu24 77.6 . .
O131 Cu18 Cu24 87.7 . .
O518 Cu18 Cu24 163.7 . .
O192 Cu19 O201 90.1 . .
O192 Cu19 O181 166.5 . .
O201 Cu19 O181 85.4 . .
O192 Cu19 O172 87.3 . .
O201 Cu19 O172 169.5 . .
O181 Cu19 O172 94.8 . .
O192 Cu19 O519 96.9 . .
O201 Cu19 O519 98.8 . .
O181 Cu19 O519 96.4 . .
O172 Cu19 O519 91.6 . .
O192 Cu19 Cu21 86.7 . .
O201 Cu19 Cu21 87.7 . .
O181 Cu19 Cu21 80.4 . .
O172 Cu19 Cu21 81.9 . .
O519 Cu19 Cu21 172.5 . .
O92 Cu20 O122 89.4 . .
O92 Cu20 O102 171.0 . .
O122 Cu20 O102 91.5 . .
O92 Cu20 O111 87.5 . .
O122 Cu20 O111 164.5 . .
O102 Cu20 O111 89.2 . .
O92 Cu20 O520 89.3 . .
O122 Cu20 O520 108.0 . .
O102 Cu20 O520 98.9 . .
O111 Cu20 O520 87.2 . .
O92 Cu20 Cu15 86.6 . .
O122 Cu20 Cu15 87.2 . .
O102 Cu20 Cu15 84.5 . .
O111 Cu20 Cu15 77.4 . .
O520 Cu20 Cu15 164.2 . .
O191 Cu21 O182 173.6 . .
O191 Cu21 O171 87.9 . .
O182 Cu21 O171 91.8 . .
O191 Cu21 O202 89.7 . .
O182 Cu21 O202 89.2 . .
O171 Cu21 O202 166.9 . .
O191 Cu21 O521 94.6 . .
O182 Cu21 O521 91.8 . .
O171 Cu21 O521 98.2 . .
O202 Cu21 O521 94.8 . .
O191 Cu21 Cu19 83.8 . .
O182 Cu21 Cu19 89.7 . .
O171 Cu21 Cu19 86.5 . .
O202 Cu21 Cu19 80.4 . .
O521 Cu21 Cu19 175.0 . .
O352 Cu22 O342 90.0 . .
O352 Cu22 O362 169.0 . .
O342 Cu22 O362 88.2 . .
O352 Cu22 O332 87.7 . .
O342 Cu22 O332 166.9 . .
O362 Cu22 O332 91.7 . .
O352 Cu22 O522 96.5 . .
O342 Cu22 O522 90.1 . .
O362 Cu22 O522 94.4 . .
O332 Cu22 O522 102.9 . .
O352 Cu22 Cu9 83.9 . .
O342 Cu22 Cu9 84.6 . .
O362 Cu22 Cu9 85.1 . .
O332 Cu22 Cu9 82.4 . .
O522 Cu22 Cu9 174.7 . .
O272 Cu23 O252 89.3 . .
O272 Cu23 O262 90.9 . .
O252 Cu23 O262 165.0 . .
O272 Cu23 O282 168.4 . .
O252 Cu23 O282 91.3 . .
O262 Cu23 O282 85.6 . .
O272 Cu23 O523 92.9 . .
O252 Cu23 O523 89.8 . .
O262 Cu23 O523 105.2 . .
O282 Cu23 O523 98.6 . .
O272 Cu23 Cu12 85.0 . .
O252 Cu23 Cu12 82.4 . .
O262 Cu23 Cu12 82.7 . .
O282 Cu23 Cu12 83.6 . .
O523 Cu23 Cu12 171.9 . .
O152 Cu24 O142 174.8 . .
O152 Cu24 O132 90.4 . .
O142 Cu24 O132 89.2 . .
O152 Cu24 O162 89.7 . .
O142 Cu24 O162 89.5 . .
O132 Cu24 O162 167.7 . .
O152 Cu24 O524 93.5 . .
O142 Cu24 O524 91.8 . .
O132 Cu24 O524 95.2 . .
O162 Cu24 O524 97.1 . .
O152 Cu24 Cu18 91.0 . .
O142 Cu24 Cu18 83.8 . .
O132 Cu24 Cu18 81.9 . .
O162 Cu24 Cu18 85.8 . .
O524 Cu24 Cu18 174.7 . .
C18 O11 Cu1 118.9 . .
C18 O12 Cu6 120.5 . .
C15 O15 C17 128.3 . .
C12 C11 C16 120.4 . .
C12 C11 C18 127.3 . .
C16 C11 C18 111.3 . .
C11 C12 C13 102.9 . .
C12 C13 C15 105.4 . .
C12 C13 C78 83.9 . 2_556
C15 C13 C78 170.7 . 2_556
O15 C15 C16 100.0 . .
O15 C15 C13 156.1 . .
C16 C15 C13 103.0 . .
C11 C16 C15 107.9 . .
O11 C18 O12 126.6 . .
O11 C18 C11 125.5 . .
O12 C18 C11 107.9 . .
C28 O21 Cu6 119.5 . .
C28 O22 Cu1 120.8 . .
C22 C21 C326 132.1 . .
C22 C21 C28 108.4 . .
C326 C21 C28 119.4 . .
C323 C22 C21 111.8 . .
O22 C28 O21 127.4 . .
O22 C28 C21 122.2 . .
O21 C28 C21 109.4 . .
C38 O31 Cu6 123.4 . .
C38 O32 Cu1 124.7 . .
O31 C38 O32 121.7 . .
O31 C38 C253 122.8 . 2_556
O32 C38 C253 115.3 . 2_556
C48 O41 Cu6 123.4 . .
C48 O42 Cu1 120.7 . .
C42 C41 C236 120.1 . 2_556
C42 C41 C48 119.2 . .
C236 C41 C48 120.3 2_556 .
C41 C42 C233 113.8 . 2_556
O41 C48 O42 126.0 . .
O41 C48 C41 117.1 . .
O42 C48 C41 116.5 . .
C58 O51 Cu3 117.4 . .
C58 O52 Cu5 122.2 . .
C55 O55 C57 118.8 . .
C56 C51 C52 120.2 . .
C56 C51 C58 118.7 . .
C52 C51 C58 120.9 . .
C53 C52 C51 116.6 . .
C52 C53 C54 124.7 . .
C52 C53 C218 119.5 . .
C54 C53 C218 115.7 . .
C55 C54 C53 116.4 . .
C54 C55 O55 112.2 . .
C54 C55 C56 122.5 . .
O55 C55 C56 124.6 . .
C51 C56 C55 118.7 . .
O51 C58 O52 128.3 . .
O51 C58 C51 114.4 . .
O52 C58 C51 117.2 . .
C68 O61 Cu3 128.8 . .
C68 O62 Cu5 122.2 . .
C65 O65 C67 111.8 . .
C62 C61 C66 128.5 . .
C62 C61 C68 113.2 . .
C66 C61 C68 117.8 . .
C61 C62 C63 115.2 . .
C64 C63 C62 120.9 . .
C64 C63 C278 118.0 . .
C62 C63 C278 120.8 . .
C65 C64 C63 112.3 . .
C66 C65 C64 131.2 . .
C66 C65 O65 122.0 . .
C64 C65 O65 105.5 . .
C65 C66 C61 110.1 . .
O61 C68 O62 119.5 . .
O61 C68 C61 122.0 . .
O62 C68 C61 118.2 . .
C78 O71 Cu5 113.2 . .
C78 O72 Cu3 123.7 . .
O72 C78 O71 132.5 . .
O72 C78 C13 132.5 . 2_556
O71 C78 C13 94.8 . 2_556
C88 O81 Cu5 118.7 . .
C88 O82 Cu3 117.0 . .
C87 O85 C85 125.9 . .
C86 C81 C82 122.0 . .
C86 C81 C88 116.3 . .
C82 C81 C88 121.7 . .
C83 C82 C81 115.5 . .
C82 C83 C338 114.9 . .
C82 C83 C84 123.8 . .
C338 C83 C84 121.2 . .
C85 C84 C83 115.8 . .
C84 C85 O85 124.8 . .
C84 C85 C86 124.7 . .
O85 C85 C86 109.0 . .
C81 C86 C85 116.5 . .
O81 C88 O82 130.2 . .
O81 C88 C81 120.1 . .
O82 C88 C81 109.7 . .
C98 O91 Cu15 125.2 . .
C98 O92 Cu20 120.5 . .
C95 O95 C97 120.1 . .
C95 O95 Cu13 118.2 . .
C97 O95 Cu13 106.3 . .
C92 C91 C98 116.8 . .
C92 C91 C96 124.8 . .
C98 C91 C96 117.7 . .
C91 C92 C93 116.1 . .
C94 C93 C228 128.5 . .
C94 C93 C92 119.6 . .
C228 C93 C92 111.8 . .
C93 C94 C95 119.6 . .
C96 C95 O95 112.4 . .
C96 C95 C94 127.4 . .
O95 C95 C94 119.9 . .
C95 C96 C91 111.2 . .
O91 C98 O92 124.6 . .
O91 C98 C91 117.7 . .
O92 C98 C91 117.4 . .
C108 O101 Cu15 130.8 . .
C108 O102 Cu20 124.1 . .
C103 O105 C107 118.0 . .
C102 C101 C106 130.2 . .
C102 C101 C108 119.4 . .
C106 C101 C108 110.0 . .
C101 C102 C103 112.2 . .
C422 C103 O105 126.5 2_556 .
C422 C103 C102 123.8 2_556 .
O105 C103 C102 108.7 . .
C101 C106 C421 112.3 . 2_556
O101 C108 O102 116.7 . .
O101 C108 C101 127.9 . .
O102 C108 C101 115.2 . .
C118 O111 Cu20 124.2 . .
C118 O112 Cu15 108.0 . .
C113 O115 C117 119.0 . .
C112 C111 C306 122.9 . 2_556
C112 C111 C118 112.7 . .
C306 C111 C118 124.4 2_556 .
C111 C112 C113 112.6 . .
C302 C113 O115 125.5 2_556 .
C302 C113 C112 124.5 2_556 .
O115 C113 C112 109.6 . .
O111 C118 O112 137.5 . .
O111 C118 C111 113.4 . .
O112 C118 C111 108.6 . .
C128 O121 Cu15 122.9 . .
C128 O122 Cu20 115.5 . .
C123 O125 C127 120.3 . .
C122 C121 C126 128.7 . .
C122 C121 C128 117.4 . .
C126 C121 C128 113.5 . .
C121 C122 C123 120.3 . .
O125 C123 C124 122.9 . .
O125 C123 C122 117.9 . .
C124 C123 C122 118.3 . .
C123 C124 C125 121.7 . .
C458 C125 C124 126.8 . .
C458 C125 C126 115.0 . .
C124 C125 C126 118.2 . .
C121 C126 C125 112.7 . .
O121 C128 O122 129.6 . .
O121 C128 C121 113.6 . .
O122 C128 C121 116.5 . .
C138 O131 Cu18 113.4 . .
C138 O132 Cu24 128.5 . .
O132 C138 O131 128.2 . .
O132 C138 C263 121.7 . .
O131 C138 C263 110.2 . .
C148 O141 Cu18 114.1 . .
C148 O142 Cu24 124.4 . .
C145 O145 C147 133.1 . .
C148 C141 C146 132.5 . .
C148 C141 C142 111.3 . .
C146 C141 C142 115.5 . .
C141 C142 C143 111.7 . .
C144 C143 C142 124.6 . .
C144 C143 C208 129.2 . .
C142 C143 C208 105.7 . .
C143 C144 C145 125.2 . .
O145 C145 C144 124.0 . .
O145 C145 C146 128.4 . .
C144 C145 C146 107.7 . .
C141 C146 C145 135.2 . .
O142 C148 O141 127.6 . .
O142 C148 C141 123.0 . .
O141 C148 C141 108.9 . .
C158 O151 Cu18 126.5 . .
C158 O152 Cu24 119.7 . .
C153 O155 C157 122.0 . .
C352 C151 C152 127.9 . .
C352 C151 C158 120.6 . .
C152 C151 C158 111.5 . .
C153 C152 C151 109.9 . .
C356 C153 O155 119.4 . .
C356 C153 C152 128.7 . .
O155 C153 C152 111.9 . .
O152 C158 O151 124.8 . .
O152 C158 C151 121.6 . .
O151 C158 C151 113.6 . .
C168 O161 Cu18 124.8 . .
C168 O162 Cu24 122.0 . .
C163 O165 C167 116.7 . .
C162 C161 C166 123.4 . .
C162 C161 C168 119.7 . .
C166 C161 C168 116.5 . .
C161 C162 C163 110.2 . .
C164 C163 O165 126.1 . .
C164 C163 C162 128.6 . .
O165 C163 C162 105.4 . .
C165 C164 C163 115.3 . .
C164 C165 C166 123.6 . .
C164 C165 C408 118.2 . .
C166 C165 C408 117.6 . .
C161 C166 C165 118.8 . .
O162 C168 O161 123.4 . .
O162 C168 C161 120.1 . .
O161 C168 C161 115.3 . .
C178 O171 Cu21 123.0 . .
C178 O172 Cu19 123.3 . .
O171 C178 O172 124.8 . .
O171 C178 C295 124.6 . 2_556
O172 C178 C295 110.5 . 2_556
C188 O181 Cu19 128.6 . .
C188 O182 Cu21 118.3 . .
O181 C188 O182 122.9 . .
O181 C188 C285 116.5 . .
O182 C188 C285 119.3 . .
C198 O191 Cu21 125.9 . .
C198 O192 Cu19 120.6 . .
C192 C191 C198 117.6 . .
C192 C191 C416 125.3 . 2_556
C198 C191 C416 116.9 . 2_556
C191 C192 C413 116.4 . 2_556
O191 C198 O192 122.6 . .
O191 C198 C191 117.3 . .
O192 C198 C191 120.1 . .
C208 O201 Cu19 117.9 . .
C208 O202 Cu21 126.3 . .
O202 C208 O201 126.6 . .
O202 C208 C143 124.0 . .
O201 C208 C143 108.8 . .
C218 O211 Cu16 119.1 . .
C218 O212 Cu10 127.0 . .
O212 C218 O211 124.7 . .
O212 C218 C53 123.0 . .
O211 C218 C53 112.3 . .
C228 O221 Cu16 127.7 . .
C228 O222 Cu10 120.6 . .
O221 C228 O222 122.8 . .
O221 C228 C93 128.6 . .
O222 C228 C93 108.3 . .
C238 O231 Cu16 124.6 . .
C238 O232 Cu10 121.6 . .
C233 O235 C237 117.2 . .
C232 C231 C238 126.3 . .
C232 C231 C236 122.7 . .
C238 C231 C236 111.0 . .
C231 C232 C233 115.1 . .
O235 C233 C42 122.9 . 2_556
O235 C233 C232 108.8 . .
C42 C233 C232 128.0 2_556 .
C41 C236 C231 119.6 2_556 .
O232 C238 O231 123.2 . .
O232 C238 C231 113.2 . .
O231 C238 C231 123.7 . .
C248 O241 Cu16 121.5 . .
C248 O242 Cu10 118.9 . .
C243 O245 C247 115.7 . .
C242 C241 C246 124.6 . .
C242 C241 C248 115.0 . .
C246 C241 C248 119.0 . .
C241 C242 C243 118.4 . .
O245 C243 C244 125.6 . .
O245 C243 C242 115.7 . .
C244 C243 C242 118.7 . .
C243 C244 C245 120.3 . .
C246 C245 C244 124.9 . .
C246 C245 C468 116.3 . .
C244 C245 C468 118.8 . .
C245 C246 C241 112.5 . .
O241 C248 O242 130.0 . .
O241 C248 C241 112.8 . .
O242 C248 C241 117.2 . .
C258 O251 Cu12 121.6 . .
C258 O252 Cu23 127.8 . .
C255 O255 C257 124.8 . .
C256 C251 C252 122.3 . .
C256 C251 C258 117.8 . .
C252 C251 C258 119.9 . .
C253 C252 C251 120.2 . .
C252 C253 C38 118.0 . 2_556
C252 C253 C254 114.3 . .
C38 C253 C254 127.5 2_556 .
C255 C254 C253 120.6 . .
C256 C255 O255 127.2 . .
C256 C255 C254 116.8 . .
O255 C255 C254 114.9 . .
C255 C256 C251 125.4 . .
O252 C258 O251 123.0 . .
O252 C258 C251 120.1 . .
O251 C258 C251 116.8 . .
C268 O261 Cu12 126.1 . .
C268 O262 Cu23 125.9 . .
C268 C261 C266 124.9 . .
C268 C261 C262 115.0 . .
C266 C261 C262 119.8 . .
C263 C262 C261 122.5 . .
C262 C263 C138 120.7 . .
C262 C263 C264 117.0 . .
C138 C263 C264 122.2 . .
C265 C264 C263 118.9 . .
C266 C265 O509 124.2 . 2_667
C266 C265 C264 122.7 . .
O509 C265 C264 113.1 2_667 .
C265 C266 C261 118.9 . .
O261 C268 O262 121.6 . .
O261 C268 C261 124.1 . .
O262 C268 C261 114.2 . .
C278 O271 Cu12 121.7 . .
C278 O272 Cu23 121.2 . .
O272 C278 O271 128.4 . .
O272 C278 C63 120.0 . .
O271 C278 C63 111.1 . .
C288 O281 Cu12 127.0 . .
C288 O282 Cu23 119.8 . .
C283 O285 C287 120.1 . .
C286 C281 C282 123.2 . .
C286 C281 C288 117.6 . .
C282 C281 C288 116.9 . .
C283 C282 C281 117.8 . .
O285 C283 C282 118.5 . .
O285 C283 C284 122.6 . .
C282 C283 C284 118.7 . .
C285 C284 C283 119.3 . .
C284 C285 C286 126.7 . .
C284 C285 C188 120.1 . .
C286 C285 C188 112.4 . .
C281 C286 C285 111.7 . .
O281 C288 O282 122.8 . .
O281 C288 C281 122.1 . .
O282 C288 C281 114.9 . .
C298 O291 Cu17 118.6 . .
C298 O292 Cu13 129.4 . .
C293 O295 C297 127.5 . .
C296 C291 C298 129.9 . .
C296 C291 C292 114.5 . .
C298 C291 C292 115.0 . .
C293 C292 C291 122.8 . .
O295 C293 C292 123.1 . .
O295 C293 C294 116.4 . .
C292 C293 C294 119.9 . .
C295 C294 C293 115.8 . .
C296 C295 C294 120.6 . .
C296 C295 C178 118.5 . 2_556
C294 C295 C178 120.9 . 2_556
C295 C296 C291 126.1 . .
O292 C298 O291 120.3 . .
O292 C298 C291 132.3 . .
O291 C298 C291 107.3 . .
C308 O301 Cu17 123.9 . .
C308 O302 Cu13 116.7 . .
C306 C301 C308 112.6 . .
C306 C301 C302 115.5 . .
C308 C301 C302 131.2 . .
C113 C302 C301 122.0 2_556 .
C301 C306 C111 121.7 . 2_556
O301 C308 O302 125.1 . .
O301 C308 C301 125.6 . .
O302 C308 C301 108.7 . .
C318 O311 Cu17 121.6 . .
C318 O312 Cu13 118.6 . .
C317 O315 C313 114.1 . .
C432 C311 C312 117.3 . .
C432 C311 C318 122.7 . .
C312 C311 C318 120.0 . .
C313 C312 C311 120.0 . .
C312 C313 C436 129.7 . .
C312 C313 O315 113.1 . .
C436 C313 O315 117.1 . .
O311 C318 O312 127.7 . .
O311 C318 C311 111.6 . .
O312 C318 C311 120.7 . .
C328 O321 Cu17 120.0 . .
C328 O322 Cu13 123.3 . .
C327 O325 C323 146.7 . .
C326 C321 C322 129.2 . .
C326 C321 C328 112.8 . .
C322 C321 C328 117.9 . .
C321 C322 C323 121.9 . .
O325 C323 C22 117.5 . .
O325 C323 C322 123.7 . .
C22 C323 C322 118.5 . .
C321 C326 C21 106.3 . .
O322 C328 O321 126.1 . .
O322 C328 C321 120.9 . .
O321 C328 C321 112.9 . .
C338 O331 Cu9 117.8 . .
C338 O332 Cu22 123.7 . .
O332 C338 O331 127.0 . .
O332 C338 C83 119.2 . .
O331 C338 C83 113.8 . .
C348 O341 Cu9 116.6 . .
C348 O342 Cu22 125.0 . .
C345 O345 C347 124.5 . .
C346 C341 C342 119.3 . .
C346 C341 C348 124.4 . .
C342 C341 C348 114.8 . .
C343 C342 C341 123.0 . .
C342 C343 C388 121.2 . .
C342 C343 C344 120.9 . .
C388 C343 C344 117.7 . .
C345 C344 C343 106.6 . .
C346 C345 O345 119.5 . .
C346 C345 C344 130.4 . .
O345 C345 C344 108.2 . .
C345 C346 C341 118.1 . .
O342 C348 O341 125.3 . .
O342 C348 C341 125.5 . .
O341 C348 C341 108.8 . .
C358 O351 Cu9 120.5 . .
C358 O352 Cu22 130.4 . .
C352 C351 C356 135.7 . .
C352 C351 C358 103.7 . .
C356 C351 C358 120.0 . .
C151 C352 C351 110.2 . .
C153 C356 C351 107.1 . .
O352 C358 O351 117.8 . .
O352 C358 C351 128.7 . .
O351 C358 C351 113.0 . .
C368 O361 Cu9 118.8 . .
C368 O362 Cu22 116.9 . .
C365 O365 C367 119.7 . .
C362 C361 C366 124.4 . .
C362 C361 C368 121.6 . .
C366 C361 C368 112.9 . .
C361 C362 C363 120.0 . .
C362 C363 C364 123.9 . .
C362 C363 C488 120.2 . .
C364 C363 C488 114.7 . .
C363 C364 C365 113.0 . .
C366 C365 O365 114.3 . .
C366 C365 C364 124.4 . .
O365 C365 C364 120.7 . .
C365 C366 C361 112.8 . .
O362 C368 O361 127.3 . .
O362 C368 C361 111.1 . .
O361 C368 C361 121.2 . .
C378 O371 Cu7 120.8 . .
C378 O372 Cu4 111.7 . .
C376 C371 C372 121.7 . .
C376 C371 C378 134.5 . .
C372 C371 C378 103.7 . .
C441 C372 C371 115.9 2_556 .
C371 C376 C443 122.7 . 2_556
O371 C378 O372 136.0 . .
O371 C378 C371 124.4 . .
O372 C378 C371 99.0 . .
C388 O381 Cu7 126.0 . .
C388 O382 Cu4 124.0 . .
O381 C388 C343 122.0 . .
O381 C388 O382 117.7 . .
C343 C388 O382 119.5 . .
C398 O391 Cu7 121.6 . .
C398 O392 Cu4 112.6 . .
O391 C398 O392 132.4 . .
O391 C398 C475 113.5 . .
O392 C398 C475 113.8 . .
C408 O401 Cu7 123.2 . .
C408 O402 Cu4 126.1 . .
O402 C408 O401 120.4 . .
O402 C408 C165 116.7 . .
O401 C408 C165 122.7 . .
C418 O411 Cu2 117.0 . .
C418 O412 Cu8 124.8 . .
C417 O415 C413 117.4 . .
C416 C411 C412 126.7 . .
C416 C411 C418 114.6 . .
C412 C411 C418 117.7 . .
C411 C412 C413 118.5 . .
C412 C413 O415 128.8 . .
C412 C413 C192 119.2 . 2_556
O415 C413 C192 112.0 . 2_556
C411 C416 C191 113.3 . 2_556
O412 C418 O411 127.2 . .
O412 C418 C411 118.9 . .
O411 C418 C411 113.2 . .
C428 O421 Cu2 125.7 . .
C428 O422 Cu8 114.9 . .
C422 C421 C106 124.7 . 2_556
C422 C421 C428 105.7 . .
C106 C421 C428 128.9 2_556 .
C103 C422 C421 115.9 2_556 .
O421 C428 O422 127.0 . .
O421 C428 C421 130.3 . .
O422 C428 C421 102.5 . .
C438 O431 Cu8 127.7 . .
C438 O432 Cu2 130.2 . .
C432 C431 C438 123.3 . .
C432 C431 C436 130.0 . .
C438 C431 C436 106.6 . .
C431 C432 C311 117.7 . .
C313 C436 C431 105.0 . .
O432 C438 O431 111.8 . .
O432 C438 C431 131.9 . .
O431 C438 C431 116.2 . .
C448 O441 Cu2 120.1 . .
C448 O442 Cu8 124.3 . .
C443 O445 C447 106.1 . .
C442 C441 C448 122.7 . .
C442 C441 C372 118.5 . 2_556
C448 C441 C372 118.6 . 2_556
C443 C442 C441 121.3 . .
O445 C443 C442 125.5 . .
O445 C443 C376 115.0 . 2_556
C442 C443 C376 119.5 . 2_556
O442 C448 O441 126.5 . .
O442 C448 C441 118.0 . .
O441 C448 C441 115.5 . .
C458 O451 Cu11 118.2 . .
C458 O452 Cu14 125.2 . .
O452 C458 O451 125.7 . .
O452 C458 C125 120.7 . .
O451 C458 C125 113.5 . .
C468 O461 Cu14 117.9 . .
C468 O462 Cu11 126.2 . .
O462 C468 O461 123.1 . .
O462 C468 C245 118.9 . .
O461 C468 C245 118.0 . .
C478 O471 Cu14 126.8 . .
C478 O472 Cu11 116.8 . .
C473 O475 C477 120.7 . .
C472 C471 C476 120.2 . .
C472 C471 C478 121.5 . .
C476 C471 C478 117.8 . .
C473 C472 C471 115.0 . .
C474 C473 O475 124.9 . .
C474 C473 C472 124.3 . .
O475 C473 C472 110.5 . .
C473 C474 C475 117.3 . .
C476 C475 C474 121.6 . .
C476 C475 C398 120.0 . .
C474 C475 C398 118.1 . .
C475 C476 C471 120.5 . .
O471 C478 O472 124.3 . .
O471 C478 C471 119.6 . .
O472 C478 C471 113.4 . .
C488 O481 Cu11 126.2 . .
C488 O482 Cu14 121.9 . .
O482 C488 O481 122.1 . .
O482 C488 C363 121.6 . .
O481 C488 C363 115.9 . .
C502 O502 Cu2 128.8 . .
C504 O504 Cu4 130.7 . .
C265 O509 C509 118.2 2_667 .
C265 O509 Cu9 120.3 2_667 .
C509 O509 Cu9 106.0 . .
C510 O510 Cu10 114.6 . .
C523 O523 Cu23 115.2 . .
C3A C2A C1A 115.2 . .
C4A C3A C2A 104.9 . .
C3A C4A C5A 130.7 . .
N1A C5A C4A 133.6 . .
C5B C4B C3B 92.9 . .
C4B C5B C1B 108.0 . .
C3C C2C C1C 121.2 . .
O1D N1D C3D 56.5 . .
N1D O1D C3D 68.4 . .
C2D C1D C6D 85.6 . .
O1D C3D N1D 55.1 . .
C4D C5D C6D 132.4 . .
C5D C6D C1D 110.6 . .
C3E C2E C1E 91.0 . .
C1F N1F O1F 113.2 . .
N1F C1F C2F 162.4 . .
C3F C2F C1F 170.2 . .
C4F C3F C2F 75.2 . .
C3F C4F C5F 129.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O11 1.8979 .
Cu1 O32 1.9082 .
Cu1 O22 1.9198 .
Cu1 O42 1.9349 .
Cu1 O501 2.1772 .
Cu1 Cu6 2.5803 .
Cu2 O421 1.9270 .
Cu2 O441 1.9430 .
Cu2 O432 1.9594 .
Cu2 O411 1.9635 .
Cu2 O502 2.1145 .
Cu2 Cu8 2.6081 .
Cu3 O61 1.8468 .
Cu3 O51 1.9125 .
Cu3 O72 1.9194 .
Cu3 O82 1.9375 .
Cu3 O503 2.1856 .
Cu3 Cu5 2.6079 .
Cu4 O402 1.9310 .
Cu4 O372 1.9422 .
Cu4 O382 1.9596 .
Cu4 O392 1.9669 .
Cu4 O504 2.1101 .
Cu4 Cu7 2.6025 .
Cu5 O81 1.8923 .
Cu5 O71 1.9375 .
Cu5 O52 1.9434 .
Cu5 O62 1.9544 .
Cu5 O505 2.2083 .
Cu6 O31 1.8056 .
Cu6 O41 1.9060 .
Cu6 O12 1.9517 .
Cu6 O21 1.9717 .
Cu6 O506 2.1914 .
Cu7 O401 1.8589 .
Cu7 O391 1.8973 .
Cu7 O371 1.9362 .
Cu7 O381 1.9907 .
Cu7 O507 2.1633 .
Cu8 O422 1.8741 .
Cu8 O412 1.8790 .
Cu8 O442 1.9501 .
Cu8 O431 2.0134 .
Cu8 O508 2.1729 .
Cu9 O331 1.8904 .
Cu9 O361 1.8944 .
Cu9 O351 1.9452 .
Cu9 O341 1.9535 .
Cu9 O509 2.2680 .
Cu9 Cu22 2.5773 .
Cu10 O222 1.9442 .
Cu10 O212 1.9752 .
Cu10 O232 1.9782 .
Cu10 O242 2.0027 .
Cu10 O510 2.1830 .
Cu10 Cu16 2.6139 .
Cu11 O451 1.9214 .
Cu11 O472 1.9448 .
Cu11 O481 1.9452 .
Cu11 O462 1.9764 .
Cu11 O511 2.1629 .
Cu11 Cu14 2.5897 .
Cu12 O281 1.9141 .
Cu12 O261 1.9616 .
Cu12 O271 1.9776 .
Cu12 O251 2.0081 .
Cu12 O512 2.1481 .
Cu12 Cu23 2.6095 .
Cu13 O292 1.8226 .
Cu13 O322 1.8485 .
Cu13 O312 1.8958 .
Cu13 O302 1.9211 .
Cu13 O95 2.2598 .
Cu13 Cu17 2.5746 .
Cu14 O471 1.8785 .
Cu14 O461 1.9293 .
Cu14 O482 1.9527 .
Cu14 O452 1.9732 .
Cu14 O514 2.1376 .
Cu15 O101 1.9094 .
Cu15 O112 1.9330 .
Cu15 O121 1.9384 .
Cu15 O91 2.0124 .
Cu15 O515 2.2081 .
Cu15 Cu20 2.5966 .
Cu16 O231 1.9341 .
Cu16 O221 1.9489 .
Cu16 O241 1.9688 .
Cu16 O211 1.9960 .
Cu16 O516 2.1717 .
Cu17 O301 1.8169 .
Cu17 O291 1.9055 .
Cu17 O321 1.9618 .
Cu17 O311 1.9650 .
Cu17 O517 2.1630 .
Cu18 O161 1.9284 .
Cu18 O141 1.9647 .
Cu18 O151 1.9701 .
Cu18 O131 1.9959 .
Cu18 O518 2.1649 .
Cu18 Cu24 2.5907 .
Cu19 O192 1.9000 .
Cu19 O201 1.9588 .
Cu19 O181 1.9645 .
Cu19 O172 1.9962 .
Cu19 O519 2.1979 .
Cu19 Cu21 2.6018 .
Cu20 O92 1.9567 .
Cu20 O122 1.9657 .
Cu20 O102 1.9670 .
Cu20 O111 1.9713 .
Cu20 O520 2.1765 .
Cu21 O191 1.8596 .
Cu21 O182 1.9129 .
Cu21 O171 1.9389 .
Cu21 O202 1.9903 .
Cu21 O521 2.2078 .
Cu22 O352 1.8637 .
Cu22 O342 1.9229 .
Cu22 O362 1.9232 .
Cu22 O332 1.9270 .
Cu22 O522 2.1651 .
Cu23 O272 1.9554 .
Cu23 O252 1.9574 .
Cu23 O262 1.9596 .
Cu23 O282 2.0220 .
Cu23 O523 2.1803 .
Cu24 O152 1.8956 .
Cu24 O142 1.9049 .
Cu24 O132 1.9225 .
Cu24 O162 1.9230 .
Cu24 O524 2.1938 .
O11 C18 1.2731 .
O12 C18 1.3653 .
O15 C15 1.4878 .
O15 C17 1.6353 .
C11 C12 1.4024 .
C11 C16 1.4681 .
C11 C18 1.5286 .
C12 C13 1.6810 .
C13 C15 1.6877 .
C13 C78 1.8710 2_556
C15 C16 1.5731 .
O21 C28 1.2667 .
O22 C28 1.2502 .
C21 C22 1.4988 .
C21 C326 1.5220 .
C21 C28 1.6377 .
C22 C323 1.3855 .
O31 C38 1.2762 .
O32 C38 1.2786 .
C38 C253 1.4289 2_556
O41 C48 1.2077 .
O42 C48 1.2730 .
C41 C42 1.3692 .
C41 C236 1.4396 2_556
C41 C48 1.4920 .
C42 C233 1.4292 2_556
O51 C58 1.2568 .
O52 C58 1.2595 .
O55 C55 1.4013 .
O55 C57 1.4287 .
C51 C56 1.4011 .
C51 C52 1.4221 .
C51 C58 1.4806 .
C52 C53 1.3871 .
C53 C54 1.4164 .
C53 C218 1.5109 .
C54 C55 1.3419 .
C55 C56 1.4327 .
O61 C68 1.2933 .
O62 C68 1.2955 .
O65 C65 1.4255 .
O65 C67 1.5126 .
C61 C62 1.3700 .
C61 C66 1.3840 .
C61 C68 1.5170 .
C62 C63 1.4455 .
C63 C64 1.4325 .
C63 C278 1.5305 .
C64 C65 1.4096 .
C65 C66 1.3312 .
O71 C78 1.3125 .
O72 C78 1.1714 .
C78 C13 1.8710 2_556
O81 C88 1.2597 .
O82 C88 1.3260 .
O85 C87 1.0145 .
O85 C85 1.4328 .
C81 C86 1.4288 .
C81 C82 1.4831 .
C81 C88 1.5768 .
C82 C83 1.4062 .
C83 C338 1.4492 .
C83 C84 1.4679 .
C84 C85 1.3662 .
C85 C86 1.4349 .
O91 C98 1.1907 .
O92 C98 1.3200 .
O95 C95 1.3975 .
O95 C97 1.4626 .
C91 C92 1.3638 .
C91 C98 1.5066 .
C91 C96 1.5884 .
C92 C93 1.4625 .
C93 C94 1.3877 .
C93 C228 1.4016 .
C94 C95 1.4695 .
C95 C96 1.2578 .
O101 C108 1.2405 .
O102 C108 1.3337 .
O105 C103 1.4110 .
O105 C107 1.5370 .
C101 C102 1.3668 .
C101 C106 1.3837 .
C101 C108 1.4340 .
C102 C103 1.5362 .
C103 C422 1.3455 2_556
C106 C421 1.4565 2_556
O111 C118 1.1672 .
O112 C118 1.2416 .
O115 C113 1.3706 .
O115 C117 1.4940 .
C111 C112 1.4021 .
C111 C306 1.4082 2_556
C111 C118 1.6411 .
C112 C113 1.4680 .
C113 C302 1.2899 2_556
O121 C128 1.2304 .
O122 C128 1.2441 .
O125 C123 1.3058 .
O125 C127 1.4277 .
C121 C122 1.3058 .
C121 C126 1.3884 .
C121 C128 1.5361 .
C122 C123 1.4590 .
C123 C124 1.3823 .
C124 C125 1.4479 .
C125 C458 1.4277 .
C125 C126 1.5552 .
O131 C138 1.3531 .
O132 C138 1.1433 .
C138 C263 1.5094 .
O141 C148 1.3563 .
O142 C148 1.1969 .
O145 C145 1.1718 .
O145 C147 1.2942 .
C141 C148 1.4043 .
C141 C146 1.4227 .
C141 C142 1.4586 .
C142 C143 1.5616 .
C143 C144 1.3856 .
C143 C208 1.6026 .
C144 C145 1.4076 .
C145 C146 1.4411 .
O151 C158 1.3490 .
O152 C158 1.1367 .
O155 C153 1.4220 .
O155 C157 1.5782 .
C151 C352 1.3428 .
C151 C152 1.4651 .
C151 C158 1.5646 .
C152 C153 1.4563 .
C153 C356 1.3863 .
O161 C168 1.2649 .
O162 C168 1.2602 .
O165 C163 1.4801 .
O165 C167 1.5772 .
C161 C162 1.3507 .
C161 C166 1.3783 .
C161 C168 1.5332 .
C162 C163 1.4884 .
C163 C164 1.3233 .
C164 C165 1.2910 .
C165 C166 1.4056 .
C165 C408 1.4883 .
O171 C178 1.2025 .
O172 C178 1.2917 .
C178 C295 1.4603 2_556
O181 C188 1.2435 .
O182 C188 1.3342 .
C188 C285 1.5315 .
O191 C198 1.3078 .
O192 C198 1.3118 .
C191 C192 1.3075 .
C191 C198 1.4723 .
C191 C416 1.4970 2_556
C192 C413 1.4894 2_556
O201 C208 1.2652 .
O202 C208 1.1925 .
O211 C218 1.3578 .
O212 C218 1.1616 .
O221 C228 1.1633 .
O222 C228 1.3731 .
O231 C238 1.2992 .
O232 C238 1.2900 .
O235 C233 1.3573 .
O235 C237 1.4311 .
C231 C232 1.2630 .
C231 C238 1.4623 .
C231 C236 1.4758 .
C232 C233 1.4407 .
C233 C42 1.4292 2_556
C236 C41 1.4396 2_556
O241 C248 1.2220 .
O242 C248 1.2410 .
O245 C243 1.3179 .
O245 C247 1.4653 .
C241 C242 1.3896 .
C241 C246 1.3983 .
C241 C248 1.5670 .
C242 C243 1.4039 .
C243 C244 1.3490 .
C244 C245 1.3895 .
C245 C246 1.3768 .
C245 C468 1.4591 .
O251 C258 1.2517 .
O252 C258 1.2122 .
O255 C255 1.3102 .
O255 C257 1.3795 .
C251 C256 1.3299 .
C251 C252 1.4026 .
C251 C258 1.5259 .
C252 C253 1.3897 .
C253 C38 1.4289 2_556
C253 C254 1.5055 .
C254 C255 1.4646 .
C255 C256 1.2797 .
O261 C268 1.1997 .
O262 C268 1.2197 .
C261 C268 1.4102 .
C261 C266 1.4174 .
C261 C262 1.4634 .
C262 C263 1.3243 .
C263 C264 1.5350 .
C264 C265 1.3925 .
C265 C266 1.3696 .
C265 O509 1.3728 2_667
O271 C278 1.2475 .
O272 C278 1.2046 .
O281 C288 1.2046 .
O282 C288 1.3214 .
O285 C283 1.3054 .
O285 C287 1.4907 .
C281 C286 1.3935 .
C281 C282 1.4290 .
C281 C288 1.4498 .
C282 C283 1.3974 .
C283 C284 1.4106 .
C284 C285 1.3115 .
C285 C286 1.4144 .
O291 C298 1.3791 .
O292 C298 1.1852 .
O295 C293 1.3169 .
O295 C297 1.4198 .
C291 C296 1.3988 .
C291 C298 1.4149 .
C291 C292 1.4611 .
C292 C293 1.3872 .
C293 C294 1.5190 .
C294 C295 1.4197 .
C295 C296 1.3900 .
C295 C178 1.4603 2_556
O301 C308 1.2329 .
O302 C308 1.3774 .
C301 C306 1.3818 .
C301 C308 1.3906 .
C301 C302 1.4517 .
C302 C113 1.2899 2_556
C306 C111 1.4082 2_556
O311 C318 1.2721 .
O312 C318 1.2835 .
O315 C317 1.4528 .
O315 C313 1.4561 .
C311 C432 1.3499 .
C311 C312 1.4121 .
C311 C318 1.5180 .
C312 C313 1.2899 .
C313 C436 1.3655 .
O321 C328 1.2639 .
O322 C328 1.2589 .
O325 C327 0.9512 .
O325 C323 1.2731 .
C321 C326 1.3498 .
C321 C322 1.3657 .
C321 C328 1.4557 .
C322 C323 1.5272 .
O331 C338 1.3052 .
O332 C338 1.2261 .
O341 C348 1.3757 .
O342 C348 1.2080 .
O345 C345 1.4094 .
O345 C347 1.4585 .
C341 C346 1.3701 .
C341 C342 1.3938 .
C341 C348 1.5226 .
C342 C343 1.3145 .
C343 C388 1.3571 .
C343 C344 1.5078 .
C344 C345 1.4905 .
C345 C346 1.2323 .
O351 C358 1.3699 .
O352 C358 1.2098 .
C351 C352 1.3568 .
C351 C356 1.3986 .
C351 C358 1.5013 .
O361 C368 1.2782 .
O362 C368 1.2773 .
O365 C365 1.4370 .
O365 C367 1.5125 .
C361 C362 1.3230 .
C361 C366 1.4515 .
C361 C368 1.5407 .
C362 C363 1.3764 .
C363 C364 1.3852 .
C363 C488 1.4512 .
C364 C365 1.4930 .
C365 C366 1.4025 .
O371 C378 1.0944 .
O372 C378 1.3211 .
C371 C376 1.3193 .
C371 C372 1.4788 .
C371 C378 1.6115 .
C372 C441 1.4771 2_556
C376 C443 1.4200 2_556
O381 C388 1.2377 .
O382 C388 1.3998 .
O391 C398 1.2442 .
O392 C398 1.3183 .
C398 C475 1.4943 .
O401 C408 1.3128 .
O402 C408 1.2793 .
O411 C418 1.3392 .
O412 C418 1.2008 .
O415 C417 1.4362 .
O415 C413 1.4498 .
C411 C416 1.3349 .
C411 C412 1.3629 .
C411 C418 1.5088 .
C412 C413 1.4052 .
C413 C192 1.4894 2_556
C416 C191 1.4970 2_556
O421 C428 1.0817 .
O422 C428 1.4862 .
C421 C422 1.4541 .
C421 C106 1.4565 2_556
C421 C428 1.5757 .
C422 C103 1.3455 2_556
O431 C438 1.3409 .
O432 C438 1.3178 .
C431 C432 1.3025 .
C431 C438 1.3666 .
C431 C436 1.4662 .
O441 C448 1.2405 .
O442 C448 1.2051 .
O445 C443 1.3095 .
O445 C447 1.7001 .
C441 C442 1.4401 .
C441 C448 1.4686 .
C441 C372 1.4771 2_556
C442 C443 1.3805 .
C443 C376 1.4200 2_556
O451 C458 1.2998 .
O452 C458 1.2333 .
O461 C468 1.3172 .
O462 C468 1.2456 .
O471 C478 1.2170 .
O472 C478 1.3797 .
O475 C473 1.3873 .
O475 C477 1.4822 .
C471 C472 1.4044 .
C471 C476 1.4469 .
C471 C478 1.4863 .
C472 C473 1.3929 .
C473 C474 1.3825 .
C474 C475 1.3969 .
C475 C476 1.3105 .
O481 C488 1.3159 .
O482 C488 1.2179 .
O502 C502 1.4295 .
O504 C504 1.4266 .
O509 C265 1.3728 2_667
O509 C509 1.4269 .
O510 C510 1.5613 .
O523 C523 1.6062 .
N1A C5A 1.5727 .
C1A C2A 1.6208 .
C2A C3A 1.5595 .
C3A C4A 1.4678 .
C4A C5A 1.6133 .
C1B C5B 1.6288 .
C3B C4B 1.8749 .
C4B C5B 1.5553 .
C1C C2C 1.9899 .
C2C C3C 1.8773 .
N1D O1D 1.4877 .
N1D C3D 1.6861 .
O1D C3D 1.5127 .
C1D C2D 1.4677 .
C1D C6D 1.8384 .
C4D C5D 1.3775 .
C5D C6D 1.7646 .
C1E C2E 1.6411 .
C2E C3E 1.6089 .
N1F C1F 1.1277 .
N1F O1F 1.3630 .
C1F C2F 1.9718 .
C2F C3F 1.9528 .
C3F C4F 1.6757 .
C4F C5F 1.8587 .
O1M C1M 1.7909 .
O5M C5M 1.7571 .
O7M C7M 1.6428 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O61 Cu3 Cu5 O81 101.9 . .
O51 Cu3 Cu5 O81 -78.9 . .
O72 Cu3 Cu5 O81 -168.2 . .
O82 Cu3 Cu5 O81 13.2 . .
O503 Cu3 Cu5 O81 38.1 . .
O61 Cu3 Cu5 O71 -82.8 . .
O51 Cu3 Cu5 O71 96.4 . .
O72 Cu3 Cu5 O71 7.1 . .
O82 Cu3 Cu5 O71 -171.5 . .
O503 Cu3 Cu5 O71 -146.6 . .
O61 Cu3 Cu5 O52 -168.6 . .
O51 Cu3 Cu5 O52 10.7 . .
O72 Cu3 Cu5 O52 -78.7 . .
O82 Cu3 Cu5 O52 102.7 . .
O503 Cu3 Cu5 O52 127.6 . .
O61 Cu3 Cu5 O62 6.9 . .
O51 Cu3 Cu5 O62 -173.9 . .
O72 Cu3 Cu5 O62 96.8 . .
O82 Cu3 Cu5 O62 -81.8 . .
O503 Cu3 Cu5 O62 -56.9 . .
O61 Cu3 Cu5 O505 -159.0 . .
O51 Cu3 Cu5 O505 20.2 . .
O72 Cu3 Cu5 O505 -69.1 . .
O82 Cu3 Cu5 O505 112.3 . .
O503 Cu3 Cu5 O505 137.2 . .
O11 Cu1 Cu6 O31 -95.5 . .
O32 Cu1 Cu6 O31 -8.4 . .
O22 Cu1 Cu6 O31 81.5 . .
O42 Cu1 Cu6 O31 175.7 . .
O501 Cu1 Cu6 O31 -18.3 . .
O11 Cu1 Cu6 O41 80.8 . .
O32 Cu1 Cu6 O41 167.9 . .
O22 Cu1 Cu6 O41 -102.1 . .
O42 Cu1 Cu6 O41 -8.0 . .
O501 Cu1 Cu6 O41 158.0 . .
O11 Cu1 Cu6 O12 -7.3 . .
O32 Cu1 Cu6 O12 79.8 . .
O22 Cu1 Cu6 O12 169.7 . .
O42 Cu1 Cu6 O12 -96.1 . .
O501 Cu1 Cu6 O12 69.9 . .
O11 Cu1 Cu6 O21 172.8 . .
O32 Cu1 Cu6 O21 -100.1 . .
O22 Cu1 Cu6 O21 -10.2 . .
O42 Cu1 Cu6 O21 84.0 . .
O501 Cu1 Cu6 O21 -110.0 . .
O11 Cu1 Cu6 O506 -112.7 . .
O32 Cu1 Cu6 O506 -25.6 . .
O22 Cu1 Cu6 O506 64.3 . .
O42 Cu1 Cu6 O506 158.5 . .
O501 Cu1 Cu6 O506 -35.5 . .
O402 Cu4 Cu7 O401 -7.6 . .
O372 Cu4 Cu7 O401 83.6 . .
O382 Cu4 Cu7 O401 -99.5 . .
O392 Cu4 Cu7 O401 174.6 . .
O504 Cu4 Cu7 O401 -147.1 . .
O402 Cu4 Cu7 O391 168.6 . .
O372 Cu4 Cu7 O391 -100.1 . .
O382 Cu4 Cu7 O391 76.8 . .
O392 Cu4 Cu7 O391 -9.2 . .
O504 Cu4 Cu7 O391 29.2 . .
O402 Cu4 Cu7 O371 -100.7 . .
O372 Cu4 Cu7 O371 -9.4 . .
O382 Cu4 Cu7 O371 167.5 . .
O392 Cu4 Cu7 O371 81.5 . .
O504 Cu4 Cu7 O371 119.8 . .
O402 Cu4 Cu7 O381 78.5 . .
O372 Cu4 Cu7 O381 169.8 . .
O382 Cu4 Cu7 O381 -13.3 . .
O392 Cu4 Cu7 O381 -99.2 . .
O504 Cu4 Cu7 O381 -60.9 . .
O402 Cu4 Cu7 O507 -157.3 . .
O372 Cu4 Cu7 O507 -66.1 . .
O382 Cu4 Cu7 O507 110.9 . .
O392 Cu4 Cu7 O507 24.9 . .
O504 Cu4 Cu7 O507 63.2 . .
O421 Cu2 Cu8 O422 11.0 . .
O441 Cu2 Cu8 O422 -82.0 . .
O432 Cu2 Cu8 O422 98.2 . .
O411 Cu2 Cu8 O422 -174.7 . .
O502 Cu2 Cu8 O422 134.7 . .
O421 Cu2 Cu8 O412 -165.4 . .
O441 Cu2 Cu8 O412 101.6 . .
O432 Cu2 Cu8 O412 -78.1 . .
O411 Cu2 Cu8 O412 8.9 . .
O502 Cu2 Cu8 O412 -41.7 . .
O421 Cu2 Cu8 O442 102.5 . .
O441 Cu2 Cu8 O442 9.5 . .
O432 Cu2 Cu8 O442 -170.3 . .
O411 Cu2 Cu8 O442 -83.3 . .
O502 Cu2 Cu8 O442 -133.8 . .
O421 Cu2 Cu8 O431 -75.1 . .
O441 Cu2 Cu8 O431 -168.1 . .
O432 Cu2 Cu8 O431 12.1 . .
O411 Cu2 Cu8 O431 99.1 . .
O502 Cu2 Cu8 O431 48.5 . .
O421 Cu2 Cu8 O508 -154.6 . .
O441 Cu2 Cu8 O508 112.4 . .
O432 Cu2 Cu8 O508 -67.4 . .
O411 Cu2 Cu8 O508 19.7 . .
O502 Cu2 Cu8 O508 -30.9 . .
O451 Cu11 Cu14 O471 93.0 . .
O472 Cu11 Cu14 O471 4.4 . .
O481 Cu11 Cu14 O471 -85.5 . .
O462 Cu11 Cu14 O471 -179.1 . .
O511 Cu11 Cu14 O471 -121.4 . .
O451 Cu11 Cu14 O461 -87.2 . .
O472 Cu11 Cu14 O461 -175.7 . .
O481 Cu11 Cu14 O461 94.3 . .
O462 Cu11 Cu14 O461 0.7 . .
O511 Cu11 Cu14 O461 58.4 . .
O451 Cu11 Cu14 O482 -177.6 . .
O472 Cu11 Cu14 O482 93.9 . .
O481 Cu11 Cu14 O482 4.0 . .
O462 Cu11 Cu14 O482 -89.7 . .
O511 Cu11 Cu14 O482 -32.0 . .
O451 Cu11 Cu14 O452 4.2 . .
O472 Cu11 Cu14 O452 -84.3 . .
O481 Cu11 Cu14 O452 -174.2 . .
O462 Cu11 Cu14 O452 92.1 . .
O511 Cu11 Cu14 O452 149.8 . .
O451 Cu11 Cu14 O514 33.5 . .
O472 Cu11 Cu14 O514 -55.0 . .
O481 Cu11 Cu14 O514 -145.0 . .
O462 Cu11 Cu14 O514 121.4 . .
O511 Cu11 Cu14 O514 179.1 . .
O222 Cu10 Cu16 O231 -97.7 . .
O212 Cu10 Cu16 O231 85.5 . .
O232 Cu10 Cu16 O231 -6.1 . .
O242 Cu10 Cu16 O231 176.9 . .
O510 Cu10 Cu16 O231 64.8 . .
O222 Cu10 Cu16 O221 -5.0 . .
O212 Cu10 Cu16 O221 178.1 . .
O232 Cu10 Cu16 O221 86.6 . .
O242 Cu10 Cu16 O221 -90.4 . .
O510 Cu10 Cu16 O221 157.5 . .
O222 Cu10 Cu16 O241 81.4 . .
O212 Cu10 Cu16 O241 -95.4 . .
O232 Cu10 Cu16 O241 173.0 . .
O242 Cu10 Cu16 O241 -4.0 . .
O510 Cu10 Cu16 O241 -116.1 . .
O222 Cu10 Cu16 O211 173.1 . .
O212 Cu10 Cu16 O211 -3.8 . .
O232 Cu10 Cu16 O211 -95.3 . .
O242 Cu10 Cu16 O211 87.7 . .
O510 Cu10 Cu16 O211 -24.4 . .
O222 Cu10 Cu16 O516 -155.3 . .
O212 Cu10 Cu16 O516 27.9 . .
O232 Cu10 Cu16 O516 -63.7 . .
O242 Cu10 Cu16 O516 119.3 . .
O510 Cu10 Cu16 O516 7.2 . .
O292 Cu13 Cu17 O301 -171.8 . .
O322 Cu13 Cu17 O301 95.6 . .
O312 Cu13 Cu17 O301 -86.5 . .
O302 Cu13 Cu17 O301 4.7 . .
O95 Cu13 Cu17 O301 -3.4 . .
O292 Cu13 Cu17 O291 5.3 . .
O322 Cu13 Cu17 O291 -87.3 . .
O312 Cu13 Cu17 O291 90.6 . .
O302 Cu13 Cu17 O291 -178.2 . .
O95 Cu13 Cu17 O291 173.7 . .
O292 Cu13 Cu17 O321 96.8 . .
O322 Cu13 Cu17 O321 4.1 . .
O312 Cu13 Cu17 O321 -177.9 . .
O302 Cu13 Cu17 O321 -86.8 . .
O95 Cu13 Cu17 O321 -94.9 . .
O292 Cu13 Cu17 O311 -81.6 . .
O322 Cu13 Cu17 O311 -174.2 . .
O312 Cu13 Cu17 O311 3.7 . .
O302 Cu13 Cu17 O311 94.9 . .
O95 Cu13 Cu17 O311 86.8 . .
O292 Cu13 Cu17 O517 -94.9 . .
O322 Cu13 Cu17 O517 172.4 . .
O312 Cu13 Cu17 O517 -9.6 . .
O302 Cu13 Cu17 O517 81.6 . .
O95 Cu13 Cu17 O517 73.4 . .
O101 Cu15 Cu20 O92 -177.5 . .
O112 Cu15 Cu20 O92 94.0 . .
O121 Cu15 Cu20 O92 -89.9 . .
O91 Cu15 Cu20 O92 2.4 . .
O515 Cu15 Cu20 O92 -59.4 . .
O101 Cu15 Cu20 O122 -87.9 . .
O112 Cu15 Cu20 O122 -176.5 . .
O121 Cu15 Cu20 O122 -0.3 . .
O91 Cu15 Cu20 O122 92.0 . .
O515 Cu15 Cu20 O122 30.1 . .
O101 Cu15 Cu20 O102 3.9 . .
O112 Cu15 Cu20 O102 -84.7 . .
O121 Cu15 Cu20 O102 91.5 . .
O91 Cu15 Cu20 O102 -176.2 . .
O515 Cu15 Cu20 O102 121.9 . .
O101 Cu15 Cu20 O111 94.3 . .
O112 Cu15 Cu20 O111 5.7 . .
O121 Cu15 Cu20 O111 -178.1 . .
O91 Cu15 Cu20 O111 -85.8 . .
O515 Cu15 Cu20 O111 -147.6 . .
O101 Cu15 Cu20 O520 107.3 . .
O112 Cu15 Cu20 O520 18.7 . .
O121 Cu15 Cu20 O520 -165.1 . .
O91 Cu15 Cu20 O520 -72.8 . .
O515 Cu15 Cu20 O520 -134.6 . .
O192 Cu19 Cu21 O191 3.9 . .
O201 Cu19 Cu21 O191 94.2 . .
O181 Cu19 Cu21 O191 179.9 . .
O172 Cu19 Cu21 O191 -83.8 . .
O519 Cu19 Cu21 O191 -115.2 . .
O192 Cu19 Cu21 O182 -176.0 . .
O201 Cu19 Cu21 O182 -85.8 . .
O181 Cu19 Cu21 O182 -0.1 . .
O172 Cu19 Cu21 O182 96.3 . .
O519 Cu19 Cu21 O182 64.8 . .
O192 Cu19 Cu21 O171 92.1 . .
O201 Cu19 Cu21 O171 -177.6 . .
O181 Cu19 Cu21 O171 -91.9 . .
O172 Cu19 Cu21 O171 4.4 . .
O519 Cu19 Cu21 O171 -27.0 . .
O192 Cu19 Cu21 O202 -86.8 . .
O201 Cu19 Cu21 O202 3.5 . .
O181 Cu19 Cu21 O202 89.2 . .
O172 Cu19 Cu21 O202 -174.5 . .
O519 Cu19 Cu21 O202 154.0 . .
O192 Cu19 Cu21 O521 -67.8 . .
O201 Cu19 Cu21 O521 22.4 . .
O181 Cu19 Cu21 O521 108.1 . .
O172 Cu19 Cu21 O521 -155.5 . .
O519 Cu19 Cu21 O521 173.0 . .
O331 Cu9 Cu22 O352 -95.2 . .
O361 Cu9 Cu22 O352 172.6 . .
O351 Cu9 Cu22 O352 -3.9 . .
O341 Cu9 Cu22 O352 86.3 . .
O509 Cu9 Cu22 O352 21.7 . .
O331 Cu9 Cu22 O342 174.3 . .
O361 Cu9 Cu22 O342 82.0 . .
O351 Cu9 Cu22 O342 -94.5 . .
O341 Cu9 Cu22 O342 -4.3 . .
O509 Cu9 Cu22 O342 -68.8 . .
O331 Cu9 Cu22 O362 85.6 . .
O361 Cu9 Cu22 O362 -6.6 . .
O351 Cu9 Cu22 O362 176.9 . .
O341 Cu9 Cu22 O362 -92.9 . .
O509 Cu9 Cu22 O362 -157.5 . .
O331 Cu9 Cu22 O332 -6.7 . .
O361 Cu9 Cu22 O332 -99.0 . .
O351 Cu9 Cu22 O332 84.5 . .
O341 Cu9 Cu22 O332 174.8 . .
O509 Cu9 Cu22 O332 110.2 . .
O331 Cu9 Cu22 O522 169.5 . .
O361 Cu9 Cu22 O522 77.3 . .
O351 Cu9 Cu22 O522 -99.2 . .
O341 Cu9 Cu22 O522 -9.0 . .
O509 Cu9 Cu22 O522 -73.6 . .
O281 Cu12 Cu23 O272 174.8 . .
O261 Cu12 Cu23 O272 86.4 . .
O271 Cu12 Cu23 O272 -5.8 . .
O251 Cu12 Cu23 O272 -96.2 . .
O512 Cu12 Cu23 O272 -34.3 . .
O281 Cu12 Cu23 O252 -95.3 . .
O261 Cu12 Cu23 O252 176.3 . .
O271 Cu12 Cu23 O252 84.1 . .
O251 Cu12 Cu23 O252 -6.2 . .
O512 Cu12 Cu23 O252 55.7 . .
O281 Cu12 Cu23 O262 83.2 . .
O261 Cu12 Cu23 O262 -5.2 . .
O271 Cu12 Cu23 O262 -97.4 . .
O251 Cu12 Cu23 O262 172.3 . .
O512 Cu12 Cu23 O262 -125.8 . .
O281 Cu12 Cu23 O282 -3.1 . .
O261 Cu12 Cu23 O282 -91.5 . .
O271 Cu12 Cu23 O282 176.3 . .
O251 Cu12 Cu23 O282 85.9 . .
O512 Cu12 Cu23 O282 147.8 . .
O281 Cu12 Cu23 O523 -109.5 . .
O261 Cu12 Cu23 O523 162.1 . .
O271 Cu12 Cu23 O523 69.9 . .
O251 Cu12 Cu23 O523 -20.5 . .
O512 Cu12 Cu23 O523 41.4 . .
O161 Cu18 Cu24 O152 -87.1 . .
O141 Cu18 Cu24 O152 -177.9 . .
O151 Cu18 Cu24 O152 3.8 . .
O131 Cu18 Cu24 O152 94.0 . .
O518 Cu18 Cu24 O152 17.9 . .
O161 Cu18 Cu24 O142 92.6 . .
O141 Cu18 Cu24 O142 1.7 . .
O151 Cu18 Cu24 O142 -176.6 . .
O131 Cu18 Cu24 O142 -86.4 . .
O518 Cu18 Cu24 O142 -162.5 . .
O161 Cu18 Cu24 O132 -177.4 . .
O141 Cu18 Cu24 O132 91.8 . .
O151 Cu18 Cu24 O132 -86.5 . .
O131 Cu18 Cu24 O132 3.7 . .
O518 Cu18 Cu24 O132 -72.4 . .
O161 Cu18 Cu24 O162 2.6 . .
O141 Cu18 Cu24 O162 -88.2 . .
O151 Cu18 Cu24 O162 93.5 . .
O131 Cu18 Cu24 O162 -176.4 . .
O518 Cu18 Cu24 O162 107.6 . .
O161 Cu18 Cu24 O524 125.5 . .
O141 Cu18 Cu24 O524 34.7 . .
O151 Cu18 Cu24 O524 -143.7 . .
O131 Cu18 Cu24 O524 -53.5 . .
O518 Cu18 Cu24 O524 -129.5 . .
O32 Cu1 O11 C18 -72.7 . .
O22 Cu1 O11 C18 -19.6 . .
O42 Cu1 O11 C18 93.0 . .
O501 Cu1 O11 C18 -162.2 . .
Cu6 Cu1 O11 C18 9.0 . .
O31 Cu6 O12 C18 94.3 . .
O41 Cu6 O12 C18 -77.7 . .
O21 Cu6 O12 C18 7.7 . .
O506 Cu6 O12 C18 -173.8 . .
Cu1 Cu6 O12 C18 7.0 . .
C16 C11 C12 C13 5.6 . .
C18 C11 C12 C13 173.1 . .
C11 C12 C13 C15 -5.5 . .
C11 C12 C13 C78 174.2 . 2_556
C17 O15 C15 C16 -3.7 . .
C17 O15 C15 C13 -167.9 . .
C12 C13 C15 O15 168.0 . .
C78 C13 C15 O15 -10.5 2_556 .
C12 C13 C15 C16 3.9 . .
C78 C13 C15 C16 -174.5 2_556 .
C12 C11 C16 C15 -3.1 . .
C18 C11 C16 C15 -172.5 . .
O15 C15 C16 C11 -174.6 . .
C13 C15 C16 C11 -1.1 . .
Cu1 O11 C18 O12 -6.5 . .
Cu1 O11 C18 C11 173.8 . .
Cu6 O12 C18 O11 -2.7 . .
Cu6 O12 C18 C11 177.1 . .
C12 C11 C18 O11 -178.1 . .
C16 C11 C18 O11 -9.6 . .
C12 C11 C18 O12 2.1 . .
C16 C11 C18 O12 170.6 . .
O31 Cu6 O21 C28 -79.3 . .
O41 Cu6 O21 C28 91.9 . .
O12 Cu6 O21 C28 6.9 . .
O506 Cu6 O21 C28 -171.6 . .
Cu1 Cu6 O21 C28 7.6 . .
O11 Cu1 O22 C28 44.6 . .
O32 Cu1 O22 C28 97.6 . .
O42 Cu1 O22 C28 -67.8 . .
O501 Cu1 O22 C28 -173.1 . .
Cu6 Cu1 O22 C28 15.9 . .
C326 C21 C22 C323 -3.1 . .
C28 C21 C22 C323 -178.8 . .
Cu1 O22 C28 O21 -15.9 . .
Cu1 O22 C28 C21 176.9 . .
Cu6 O21 C28 O22 2.3 . .
Cu6 O21 C28 C21 170.9 . .
C22 C21 C28 O22 -11.5 . .
C326 C21 C28 O22 172.2 . .
C22 C21 C28 O21 179.2 . .
C326 C21 C28 O21 2.9 . .
O41 Cu6 O31 C38 -11.8 . .
O12 Cu6 O31 C38 -72.0 . .
O21 Cu6 O31 C38 96.2 . .
O506 Cu6 O31 C38 -168.4 . .
Cu1 Cu6 O31 C38 11.8 . .
O11 Cu1 O32 C38 97.5 . .
O22 Cu1 O32 C38 -77.5 . .
O42 Cu1 O32 C38 23.9 . .
O501 Cu1 O32 C38 -173.8 . .
Cu6 Cu1 O32 C38 7.8 . .
Cu6 O31 C38 O32 -9.6 . .
Cu6 O31 C38 C253 164.9 . 2_556
Cu1 O32 C38 O31 -2.0 . .
Cu1 O32 C38 C253 -176.9 . 2_556
O31 Cu6 O41 C48 31.5 . .
O12 Cu6 O41 C48 91.8 . .
O21 Cu6 O41 C48 -76.4 . .
O506 Cu6 O41 C48 -171.9 . .
Cu1 Cu6 O41 C48 7.8 . .
O11 Cu1 O42 C48 -78.6 . .
O32 Cu1 O42 C48 -5.3 . .
O22 Cu1 O42 C48 95.6 . .
O501 Cu1 O42 C48 -166.9 . .
Cu6 Cu1 O42 C48 10.8 . .
C236 C41 C42 C233 -7.5 2_556 2_556
C48 C41 C42 C233 179.9 . 2_556
Cu6 O41 C48 O42 -1.9 . .
Cu6 O41 C48 C41 -174.3 . .
Cu1 O42 C48 O41 -9.0 . .
Cu1 O42 C48 C41 163.5 . .
C42 C41 C48 O41 -173.7 . .
C236 C41 C48 O41 13.7 2_556 .
C42 C41 C48 O42 13.1 . .
C236 C41 C48 O42 -159.5 2_556 .
O61 Cu3 O51 C58 -12.6 . .
O72 Cu3 O51 C58 64.8 . .
O82 Cu3 O51 C58 -101.5 . .
O503 Cu3 O51 C58 163.9 . .
Cu5 Cu3 O51 C58 -17.1 . .
O81 Cu5 O52 C58 79.8 . .
O71 Cu5 O52 C58 -95.2 . .
O62 Cu5 O52 C58 -25.6 . .
O505 Cu5 O52 C58 174.8 . .
Cu3 Cu5 O52 C58 -6.8 . .
C56 C51 C52 C53 -3.3 . .
C58 C51 C52 C53 170.7 . .
C51 C52 C53 C54 5.8 . .
C51 C52 C53 C218 -172.1 . .
C52 C53 C54 C55 -0.1 . .
C218 C53 C54 C55 177.9 . .
C53 C54 C55 O55 -179.0 . .
C53 C54 C55 C56 -8.1 . .
C57 O55 C55 C54 153.0 . .
C57 O55 C55 C56 -17.6 . .
C52 C51 C56 C55 -4.2 . .
C58 C51 C56 C55 -178.3 . .
C54 C55 C56 C51 10.4 . .
O55 C55 C56 C51 -179.9 . .
Cu3 O51 C58 O52 18.8 . .
Cu3 O51 C58 C51 -164.9 . .
Cu5 O52 C58 O51 -5.1 . .
Cu5 O52 C58 C51 178.7 . .
C56 C51 C58 O51 -168.4 . .
C52 C51 C58 O51 17.5 . .
C56 C51 C58 O52 8.4 . .
C52 C51 C58 O52 -165.7 . .
O51 Cu3 O61 C68 -10.0 . .
O72 Cu3 O61 C68 -87.3 . .
O82 Cu3 O61 C68 79.2 . .
O503 Cu3 O61 C68 173.6 . .
Cu5 Cu3 O61 C68 -5.4 . .
O81 Cu5 O62 C68 -97.0 . .
O71 Cu5 O62 C68 76.8 . .
O52 Cu5 O62 C68 7.6 . .
O505 Cu5 O62 C68 166.5 . .
Cu3 Cu5 O62 C68 -11.1 . .
C66 C61 C62 C63 -7.9 . .
C68 C61 C62 C63 -179.3 . .
C61 C62 C63 C64 3.3 . .
C61 C62 C63 C278 177.5 . .
C62 C63 C64 C65 -5.1 . .
C278 C63 C64 C65 -179.4 . .
C63 C64 C65 C66 13.2 . .
C63 C64 C65 O65 -179.7 . .
C67 O65 C65 C66 -13.8 . .
C67 O65 C65 C64 177.5 . .
C64 C65 C66 C61 -16.3 . .
O65 C65 C66 C61 178.3 . .
C62 C61 C66 C65 13.2 . .
C68 C61 C66 C65 -175.7 . .
Cu3 O61 C68 O62 -1.3 . .
Cu3 O61 C68 C61 171.4 . .
Cu5 O62 C68 O61 10.8 . .
Cu5 O62 C68 C61 -162.2 . .
C62 C61 C68 O61 -11.5 . .
C66 C61 C68 O61 176.1 . .
C62 C61 C68 O62 161.2 . .
C66 C61 C68 O62 -11.2 . .
O81 Cu5 O71 C78 31.9 . .
O52 Cu5 O71 C78 75.0 . .
O62 Cu5 O71 C78 -91.7 . .
O505 Cu5 O71 C78 163.2 . .
Cu3 Cu5 O71 C78 -7.3 . .
O61 Cu3 O72 C78 75.4 . .
O51 Cu3 O72 C78 -95.5 . .
O82 Cu3 O72 C78 -2.8 . .
O503 Cu3 O72 C78 170.9 . .
Cu5 Cu3 O72 C78 -8.6 . .
Cu3 O72 C78 O71 5.8 . .
Cu3 O72 C78 C13 179.5 . 2_556
Cu5 O71 C78 O72 3.6 . .
Cu5 O71 C78 C13 -171.8 . 2_556
O71 Cu5 O81 C88 -52.1 . .
O52 Cu5 O81 C88 -95.1 . .
O62 Cu5 O81 C88 71.3 . .
O505 Cu5 O81 C88 176.8 . .
Cu3 Cu5 O81 C88 -12.9 . .
O61 Cu3 O82 C88 -99.4 . .
O51 Cu3 O82 C88 71.2 . .
O72 Cu3 O82 C88 -21.1 . .
O503 Cu3 O82 C88 165.1 . .
Cu5 Cu3 O82 C88 -15.4 . .
C86 C81 C82 C83 2.6 . .
C88 C81 C82 C83 -175.1 . .
C81 C82 C83 C338 178.2 . .
C81 C82 C83 C84 -5.4 . .
C82 C83 C84 C85 11.7 . .
C338 C83 C84 C85 -172.2 . .
C83 C84 C85 O85 -179.8 . .
C83 C84 C85 C86 -15.7 . .
C87 O85 C85 C84 -34.7 . .
C87 O85 C85 C86 159.1 . .
C82 C81 C86 C85 -6.0 . .
C88 C81 C86 C85 171.9 . .
C84 C85 C86 C81 13.3 . .
O85 C85 C86 C81 179.5 . .
Cu5 O81 C88 O82 4.7 . .
Cu5 O81 C88 C81 -174.3 . .
Cu3 O82 C88 O81 11.7 . .
Cu3 O82 C88 C81 -169.1 . .
C86 C81 C88 O81 4.4 . .
C82 C81 C88 O81 -177.7 . .
C86 C81 C88 O82 -174.8 . .
C82 C81 C88 O82 3.1 . .
O101 Cu15 O91 C98 -5.9 . .
O112 Cu15 O91 C98 -98.2 . .
O121 Cu15 O91 C98 75.6 . .
O515 Cu15 O91 C98 169.0 . .
Cu20 Cu15 O91 C98 -6.3 . .
O122 Cu20 O92 C98 -87.2 . .
O102 Cu20 O92 C98 8.7 . .
O111 Cu20 O92 C98 77.5 . .
O520 Cu20 O92 C98 164.8 . .
Cu15 Cu20 O92 C98 0.0 . .
O292 Cu13 O95 C95 -175.5 . .
O322 Cu13 O95 C95 -82.7 . .
O312 Cu13 O95 C95 99.2 . .
O302 Cu13 O95 C95 8.1 . .
Cu17 Cu13 O95 C95 16.2 . .
O292 Cu13 O95 C97 45.9 . .
O322 Cu13 O95 C97 138.7 . .
O312 Cu13 O95 C97 -39.4 . .
O302 Cu13 O95 C97 -130.5 . .
Cu17 Cu13 O95 C97 -122.4 . .
C98 C91 C92 C93 179.1 . .
C96 C91 C92 C93 -10.9 . .
C91 C92 C93 C94 3.1 . .
C91 C92 C93 C228 -177.3 . .
C228 C93 C94 C95 -177.8 . .
C92 C93 C94 C95 1.7 . .
C97 O95 C95 C96 -172.7 . .
Cu13 O95 C95 C96 54.5 . .
C97 O95 C95 C94 12.4 . .
Cu13 O95 C95 C94 -120.4 . .
C93 C94 C95 C96 1.9 . .
C93 C94 C95 O95 176.0 . .
O95 C95 C96 C91 177.2 . .
C94 C95 C96 C91 -8.4 . .
C92 C91 C96 C95 13.5 . .
C98 C91 C96 C95 -176.6 . .
Cu15 O91 C98 O92 8.6 . .
Cu15 O91 C98 C91 -177.4 . .
Cu20 O92 C98 O91 -5.0 . .
Cu20 O92 C98 C91 -178.9 . .
C92 C91 C98 O91 1.4 . .
C96 C91 C98 O91 -169.3 . .
C92 C91 C98 O92 175.7 . .
C96 C91 C98 O92 5.1 . .
O112 Cu15 O101 C108 83.9 . .
O121 Cu15 O101 C108 -90.9 . .
O91 Cu15 O101 C108 -8.8 . .
O515 Cu15 O101 C108 176.3 . .
Cu20 Cu15 O101 C108 -8.3 . .
O92 Cu20 O102 C108 -10.7 . .
O122 Cu20 O102 C108 85.0 . .
O111 Cu20 O102 C108 -79.4 . .
O520 Cu20 O102 C108 -166.5 . .
Cu15 Cu20 O102 C108 -2.0 . .
C106 C101 C102 C103 -9.8 . .
C108 C101 C102 C103 178.2 . .
C107 O105 C103 C422 -12.7 . 2_556
C107 O105 C103 C102 178.3 . .
C101 C102 C103 C422 9.9 . 2_556
C101 C102 C103 O105 179.2 . .
C102 C101 C106 C421 7.2 . 2_556
C108 C101 C106 C421 179.8 . 2_556
Cu15 O101 C108 O102 8.9 . .
Cu15 O101 C108 C101 -177.1 . .
Cu20 O102 C108 O101 -2.6 . .
Cu20 O102 C108 C101 -177.4 . .
C102 C101 C108 O101 -175.9 . .
C106 C101 C108 O101 10.5 . .
C102 C101 C108 O102 -1.8 . .
C106 C101 C108 O102 -175.3 . .
O92 Cu20 O111 C118 -95.7 . .
O122 Cu20 O111 C118 -17.0 . .
O102 Cu20 O111 C118 75.9 . .
O520 Cu20 O111 C118 174.8 . .
Cu15 Cu20 O111 C118 -8.7 . .
O101 Cu15 O112 C118 -87.7 . .
O121 Cu15 O112 C118 -38.0 . .
O91 Cu15 O112 C118 78.3 . .
O515 Cu15 O112 C118 173.3 . .
Cu20 Cu15 O112 C118 -4.4 . .
C306 C111 C112 C113 -2.9 2_556 .
C118 C111 C112 C113 174.7 . .
C117 O115 C113 C302 -0.3 . 2_556
C117 O115 C113 C112 173.0 . .
C111 C112 C113 C302 -5.1 . 2_556
C111 C112 C113 O115 -178.5 . .
Cu20 O111 C118 O112 9.5 . .
Cu20 O111 C118 C111 180.0 . .
Cu15 O112 C118 O111 -1.5 . .
Cu15 O112 C118 C111 -172.3 . .
C112 C111 C118 O111 -8.4 . .
C306 C111 C118 O111 169.2 2_556 .
C112 C111 C118 O112 164.8 . .
C306 C111 C118 O112 -17.6 2_556 .
O101 Cu15 O121 C128 92.8 . .
O112 Cu15 O121 C128 43.1 . .
O91 Cu15 O121 C128 -73.3 . .
O515 Cu15 O121 C128 -168.2 . .
Cu20 Cu15 O121 C128 9.1 . .
O92 Cu20 O122 C128 78.9 . .
O102 Cu20 O122 C128 -92.1 . .
O111 Cu20 O122 C128 0.4 . .
O520 Cu20 O122 C128 168.0 . .
Cu15 Cu20 O122 C128 -7.7 . .
C126 C121 C122 C123 3.9 . .
C128 C121 C122 C123 175.2 . .
C127 O125 C123 C124 11.0 . .
C127 O125 C123 C122 179.9 . .
C121 C122 C123 O125 -173.6 . .
C121 C122 C123 C124 -4.2 . .
O125 C123 C124 C125 171.5 . .
C122 C123 C124 C125 2.6 . .
C123 C124 C125 C458 177.7 . .
C123 C124 C125 C126 -0.6 . .
C122 C121 C126 C125 -1.7 . .
C128 C121 C126 C125 -173.3 . .
C458 C125 C126 C121 -178.5 . .
C124 C125 C126 C121 0.0 . .
Cu15 O121 C128 O122 -20.7 . .
Cu15 O121 C128 C121 165.3 . .
Cu20 O122 C128 O121 19.1 . .
Cu20 O122 C128 C121 -167.2 . .
C122 C121 C128 O121 178.6 . .
C126 C121 C128 O121 -8.8 . .
C122 C121 C128 O122 3.8 . .
C126 C121 C128 O122 176.5 . .
O161 Cu18 O131 C138 -11.2 . .
O141 Cu18 O131 C138 -92.2 . .
O151 Cu18 O131 C138 72.8 . .
O518 Cu18 O131 C138 159.4 . .
Cu24 Cu18 O131 C138 -4.9 . .
O152 Cu24 O132 C138 -94.3 . .
O142 Cu24 O132 C138 80.4 . .
O162 Cu24 O132 C138 -3.6 . .
O524 Cu24 O132 C138 172.1 . .
Cu18 Cu24 O132 C138 -3.4 . .
Cu24 O132 C138 O131 0.2 . .
Cu24 O132 C138 C263 -178.7 . .
Cu18 O131 C138 O132 4.4 . .
Cu18 O131 C138 C263 -176.5 . .
O161 Cu18 O141 C148 -93.1 . .
O151 Cu18 O141 C148 -3.6 . .
O131 Cu18 O141 C148 78.0 . .
O518 Cu18 O141 C148 165.5 . .
Cu24 Cu18 O141 C148 -9.9 . .
O152 Cu24 O142 C148 12.3 . .
O132 Cu24 O142 C148 -73.9 . .
O162 Cu24 O142 C148 93.9 . .
O524 Cu24 O142 C148 -169.1 . .
Cu18 Cu24 O142 C148 8.1 . .
C148 C141 C142 C143 -174.7 . .
C146 C141 C142 C143 -3.2 . .
C141 C142 C143 C144 5.6 . .
C141 C142 C143 C208 178.2 . .
C142 C143 C144 C145 -5.6 . .
C208 C143 C144 C145 -176.5 . .
C147 O145 C145 C144 0.3 . .
C147 O145 C145 C146 179.5 . .
C143 C144 C145 O145 -178.0 . .
C143 C144 C145 C146 2.7 . .
C148 C141 C146 C145 170.4 . .
C142 C141 C146 C145 1.2 . .
O145 C145 C146 C141 -179.9 . .
C144 C145 C146 C141 -0.6 . .
Cu24 O142 C148 O141 -20.5 . .
Cu24 O142 C148 C141 168.9 . .
Cu18 O141 C148 O142 20.8 . .
Cu18 O141 C148 C141 -167.5 . .
C146 C141 C148 O142 -179.4 . .
C142 C141 C148 O142 -9.8 . .
C146 C141 C148 O141 8.5 . .
C142 C141 C148 O141 178.1 . .
O161 Cu18 O151 C158 80.6 . .
O141 Cu18 O151 C158 -9.0 . .
O131 Cu18 O151 C158 -90.4 . .
O518 Cu18 O151 C158 -178.7 . .
Cu24 Cu18 O151 C158 -2.6 . .
O142 Cu24 O152 C158 -10.9 . .
O132 Cu24 O152 C158 75.3 . .
O162 Cu24 O152 C158 -92.4 . .
O524 Cu24 O152 C158 170.5 . .
Cu18 Cu24 O152 C158 -6.6 . .
C352 C151 C152 C153 -5.5 . .
C158 C151 C152 C153 173.0 . .
C157 O155 C153 C356 -0.8 . .
C157 O155 C153 C152 179.3 . .
C151 C152 C153 C356 3.2 . .
C151 C152 C153 O155 -176.9 . .
Cu24 O152 C158 O151 6.7 . .
Cu24 O152 C158 C151 -176.1 . .
Cu18 O151 C158 O152 -1.6 . .
Cu18 O151 C158 C151 -179.1 . .
C352 C151 C158 O152 -16.9 . .
C152 C151 C158 O152 164.5 . .
C352 C151 C158 O151 160.7 . .
C152 C151 C158 O151 -18.0 . .
O141 Cu18 O161 C168 89.0 . .
O151 Cu18 O161 C168 -75.8 . .
O131 Cu18 O161 C168 8.2 . .
O518 Cu18 O161 C168 -162.2 . .
Cu24 Cu18 O161 C168 1.8 . .
O152 Cu24 O162 C168 83.1 . .
O142 Cu24 O162 C168 -91.8 . .
O132 Cu24 O162 C168 -7.8 . .
O524 Cu24 O162 C168 176.5 . .
Cu18 Cu24 O162 C168 -8.0 . .
C166 C161 C162 C163 -1.6 . .
C168 C161 C162 C163 -174.6 . .
C167 O165 C163 C164 -1.8 . .
C167 O165 C163 C162 177.5 . .
C161 C162 C163 C164 2.6 . .
C161 C162 C163 O165 -176.6 . .
O165 C163 C164 C165 175.8 . .
C162 C163 C164 C165 -3.3 . .
C163 C164 C165 C166 2.9 . .
C163 C164 C165 C408 174.3 . .
C162 C161 C166 C165 1.6 . .
C168 C161 C166 C165 174.8 . .
C164 C165 C166 C161 -2.2 . .
C408 C165 C166 C161 -173.6 . .
Cu24 O162 C168 O161 12.0 . .
Cu24 O162 C168 C161 178.3 . .
Cu18 O161 C168 O162 -8.7 . .
Cu18 O161 C168 C161 -175.5 . .
C162 C161 C168 O162 -175.1 . .
C166 C161 C168 O162 11.4 . .
C162 C161 C168 O161 -7.8 . .
C166 C161 C168 O161 178.8 . .
O191 Cu21 O171 C178 78.6 . .
O182 Cu21 O171 C178 -95.0 . .
O202 Cu21 O171 C178 -0.8 . .
O521 Cu21 O171 C178 172.9 . .
Cu19 Cu21 O171 C178 -5.4 . .
O192 Cu19 O172 C178 -92.5 . .
O201 Cu19 O172 C178 -16.6 . .
O181 Cu19 O172 C178 74.1 . .
O519 Cu19 O172 C178 170.7 . .
Cu21 Cu19 O172 C178 -5.4 . .
Cu21 O171 C178 O172 2.9 . .
Cu21 O171 C178 C295 -173.1 . 2_556
Cu19 O172 C178 O171 3.3 . .
Cu19 O172 C178 C295 179.8 . 2_556
O192 Cu19 O181 C188 15.8 . .
O201 Cu19 O181 C188 86.8 . .
O172 Cu19 O181 C188 -82.7 . .
O519 Cu19 O181 C188 -174.8 . .
Cu21 Cu19 O181 C188 -1.7 . .
O191 Cu21 O182 C188 0.9 . .
O171 Cu21 O182 C188 88.1 . .
O202 Cu21 O182 C188 -78.9 . .
O521 Cu21 O182 C188 -173.7 . .
Cu19 Cu21 O182 C188 1.5 . .
Cu19 O181 C188 O182 3.5 . .
Cu19 O181 C188 C285 -163.6 . .
Cu21 O182 C188 O181 -3.2 . .
Cu21 O182 C188 C285 163.5 . .
O182 Cu21 O191 C198 -5.0 . .
O171 Cu21 O191 C198 -92.3 . .
O202 Cu21 O191 C198 74.8 . .
O521 Cu21 O191 C198 169.6 . .
Cu19 Cu21 O191 C198 -5.6 . .
O201 Cu19 O192 C198 -91.2 . .
O181 Cu19 O192 C198 -20.8 . .
O172 Cu19 O192 C198 78.6 . .
O519 Cu19 O192 C198 169.9 . .
Cu21 Cu19 O192 C198 -3.5 . .
C198 C191 C192 C413 178.9 . 2_556
C416 C191 C192 C413 -6.5 2_556 2_556
Cu21 O191 C198 O192 4.8 . .
Cu21 O191 C198 C191 -172.1 . .
Cu19 O192 C198 O191 0.6 . .
Cu19 O192 C198 C191 177.5 . .
C192 C191 C198 O191 164.1 . .
C416 C191 C198 O191 -11.0 2_556 .
C192 C191 C198 O192 -12.9 . .
C416 C191 C198 O192 172.0 2_556 .
O192 Cu19 O201 C208 87.0 . .
O181 Cu19 O201 C208 -80.3 . .
O172 Cu19 O201 C208 11.3 . .
O519 Cu19 O201 C208 -176.0 . .
Cu21 Cu19 O201 C208 0.3 . .
O191 Cu21 O202 C208 -93.2 . .
O182 Cu21 O202 C208 80.5 . .
O171 Cu21 O202 C208 -14.0 . .
O521 Cu21 O202 C208 172.3 . .
Cu19 Cu21 O202 C208 -9.4 . .
Cu21 O202 C208 O201 13.4 . .
Cu21 O202 C208 C143 -176.9 . .
Cu19 O201 C208 O202 -7.7 . .
Cu19 O201 C208 C143 -178.7 . .
C144 C143 C208 O202 -177.6 . .
C142 C143 C208 O202 10.2 . .
C144 C143 C208 O201 -6.3 . .
C142 C143 C208 O201 -178.5 . .
O231 Cu16 O211 C218 -79.4 . .
O221 Cu16 O211 C218 14.5 . .
O241 Cu16 O211 C218 89.3 . .
O516 Cu16 O211 C218 -173.2 . .
Cu10 Cu16 O211 C218 5.1 . .
O222 Cu10 O212 C218 -11.9 . .
O232 Cu10 O212 C218 89.2 . .
O242 Cu10 O212 C218 -80.5 . .
O510 Cu10 O212 C218 -178.4 . .
Cu16 Cu10 O212 C218 3.9 . .
Cu10 O212 C218 O211 -1.0 . .
Cu10 O212 C218 C53 177.4 . .
Cu16 O211 C218 O212 -4.1 . .
Cu16 O211 C218 C53 177.3 . .
C52 C53 C218 O212 173.3 . .
C54 C53 C218 O212 -4.8 . .
C52 C53 C218 O211 -8.1 . .
C54 C53 C218 O211 173.8 . .
O231 Cu16 O221 C228 91.3 . .
O241 Cu16 O221 C228 -77.6 . .
O211 Cu16 O221 C228 -2.3 . .
O516 Cu16 O221 C228 -174.5 . .
Cu10 Cu16 O221 C228 7.2 . .
O212 Cu10 O222 C228 20.9 . .
O232 Cu10 O222 C228 -80.2 . .
O242 Cu10 O222 C228 90.0 . .
O510 Cu10 O222 C228 -172.8 . .
Cu16 Cu10 O222 C228 5.2 . .
Cu16 O221 C228 O222 -5.4 . .
Cu16 O221 C228 C93 167.9 . .
Cu10 O222 C228 O221 -1.8 . .
Cu10 O222 C228 C93 -176.3 . .
C94 C93 C228 O221 173.8 . .
C92 C93 C228 O221 -5.7 . .
C94 C93 C228 O222 -12.2 . .
C92 C93 C228 O222 168.4 . .
O221 Cu16 O231 C238 -74.1 . .
O241 Cu16 O231 C238 4.2 . .
O211 Cu16 O231 C238 94.4 . .
O516 Cu16 O231 C238 -173.9 . .
Cu10 Cu16 O231 C238 9.0 . .
O222 Cu10 O232 C238 90.6 . .
O212 Cu10 O232 C238 -77.9 . .
O242 Cu10 O232 C238 22.3 . .
O510 Cu10 O232 C238 -168.3 . .
Cu16 Cu10 O232 C238 5.5 . .
C238 C231 C232 C233 176.0 . .
C236 C231 C232 C233 -4.5 . .
C237 O235 C233 C42 -8.4 . 2_556
C237 O235 C233 C232 176.8 . .
C231 C232 C233 O235 -178.5 . .
C231 C232 C233 C42 7.1 . 2_556
C232 C231 C236 C41 4.4 . 2_556
C238 C231 C236 C41 -176.0 . 2_556
Cu10 O232 C238 O231 -0.8 . .
Cu10 O232 C238 C231 179.9 . .
Cu16 O231 C238 O232 -7.7 . .
Cu16 O231 C238 C231 171.6 . .
C232 C231 C238 O232 12.4 . .
C236 C231 C238 O232 -167.2 . .
C232 C231 C238 O231 -166.9 . .
C236 C231 C238 O231 13.5 . .
O231 Cu16 O241 C248 5.9 . .
O221 Cu16 O241 C248 84.7 . .
O211 Cu16 O241 C248 -84.1 . .
O516 Cu16 O241 C248 -176.1 . .
Cu10 Cu16 O241 C248 1.1 . .
O222 Cu10 O242 C248 -77.5 . .
O212 Cu10 O242 C248 91.6 . .
O232 Cu10 O242 C248 -8.7 . .
O510 Cu10 O242 C248 -178.0 . .
Cu16 Cu10 O242 C248 8.1 . .
C246 C241 C242 C243 -8.3 . .
C248 C241 C242 C243 -174.9 . .
C247 O245 C243 C244 4.2 . .
C247 O245 C243 C242 -176.3 . .
C241 C242 C243 O245 -176.6 . .
C241 C242 C243 C244 2.9 . .
O245 C243 C244 C245 -179.4 . .
C242 C243 C244 C245 1.1 . .
C243 C244 C245 C246 -0.3 . .
C243 C244 C245 C468 179.3 . .
C244 C245 C246 C241 -4.3 . .
C468 C245 C246 C241 176.2 . .
C242 C241 C246 C245 8.7 . .
C248 C241 C246 C245 174.7 . .
Cu16 O241 C248 O242 5.8 . .
Cu16 O241 C248 C241 -173.1 . .
Cu10 O242 C248 O241 -11.0 . .
Cu10 O242 C248 C241 167.9 . .
C242 C241 C248 O241 162.9 . .
C246 C241 C248 O241 -4.4 . .
C242 C241 C248 O242 -16.2 . .
C246 C241 C248 O242 176.5 . .
O281 Cu12 O251 C258 93.8 . .
O261 Cu12 O251 C258 19.7 . .
O271 Cu12 O251 C258 -74.2 . .
O512 Cu12 O251 C258 -169.9 . .
Cu23 Cu12 O251 C258 8.7 . .
O272 Cu23 O252 C258 92.0 . .
O262 Cu23 O252 C258 1.1 . .
O282 Cu23 O252 C258 -76.5 . .
O523 Cu23 O252 C258 -175.1 . .
Cu12 Cu23 O252 C258 6.9 . .
C256 C251 C252 C253 2.9 . .
C258 C251 C252 C253 -174.5 . .
C251 C252 C253 C38 175.5 . 2_556
C251 C252 C253 C254 -0.2 . .
C252 C253 C254 C255 -4.7 . .
C38 C253 C254 C255 -180.0 2_556 .
C257 O255 C255 C256 156.7 . .
C257 O255 C255 C254 -10.9 . .
C253 C254 C255 C256 7.3 . .
C253 C254 C255 O255 176.2 . .
O255 C255 C256 C251 -172.2 . .
C254 C255 C256 C251 -4.9 . .
C252 C251 C256 C255 -0.2 . .
C258 C251 C256 C255 177.3 . .
Cu23 O252 C258 O251 -2.2 . .
Cu23 O252 C258 C251 175.2 . .
Cu12 O251 C258 O252 -6.7 . .
Cu12 O251 C258 C251 175.8 . .
C256 C251 C258 O252 -9.0 . .
C252 C251 C258 O252 168.6 . .
C256 C251 C258 O251 168.5 . .
C252 C251 C258 O251 -13.9 . .
O281 Cu12 O261 C268 -73.9 . .
O271 Cu12 O261 C268 94.0 . .
O251 Cu12 O261 C268 0.2 . .
O512 Cu12 O261 C268 -170.0 . .
Cu23 Cu12 O261 C268 11.3 . .
O272 Cu23 O262 C268 -82.6 . .
O252 Cu23 O262 C268 8.1 . .
O282 Cu23 O262 C268 86.4 . .
O523 Cu23 O262 C268 -175.9 . .
Cu12 Cu23 O262 C268 2.3 . .
C268 C261 C262 C263 -176.6 . .
C266 C261 C262 C263 -1.5 . .
C261 C262 C263 C138 -179.2 . .
C261 C262 C263 C264 -1.4 . .
O132 C138 C263 C262 1.3 . .
O131 C138 C263 C262 -177.8 . .
O132 C138 C263 C264 -176.4 . .
O131 C138 C263 C264 4.5 . .
C262 C263 C264 C265 1.1 . .
C138 C263 C264 C265 178.9 . .
C263 C264 C265 C266 2.3 . .
C263 C264 C265 O509 -178.1 . 2_667
O509 C265 C266 C261 175.2 2_667 .
C264 C265 C266 C261 -5.2 . .
C268 C261 C266 C265 179.3 . .
C262 C261 C266 C265 4.8 . .
Cu12 O261 C268 O262 -13.1 . .
Cu12 O261 C268 C261 170.4 . .
Cu23 O262 C268 O261 5.2 . .
Cu23 O262 C268 C261 -178.0 . .
C266 C261 C268 O261 170.5 . .
C262 C261 C268 O261 -14.7 . .
C266 C261 C268 O262 -6.1 . .
C262 C261 C268 O262 168.6 . .
O281 Cu12 O271 C278 8.6 . .
O261 Cu12 O271 C278 -76.6 . .
O251 Cu12 O271 C278 90.1 . .
O512 Cu12 O271 C278 -175.0 . .
Cu23 Cu12 O271 C278 5.7 . .
O252 Cu23 O272 C278 -74.2 . .
O262 Cu23 O272 C278 90.8 . .
O282 Cu23 O272 C278 18.8 . .
O523 Cu23 O272 C278 -163.9 . .
Cu12 Cu23 O272 C278 8.2 . .
Cu23 O272 C278 O271 -6.7 . .
Cu23 O272 C278 C63 -177.2 . .
Cu12 O271 C278 O272 -1.3 . .
Cu12 O271 C278 C63 169.9 . .
C64 C63 C278 O272 5.3 . .
C62 C63 C278 O272 -169.0 . .
C64 C63 C278 O271 -166.7 . .
C62 C63 C278 O271 19.0 . .
O261 Cu12 O281 C288 78.2 . .
O271 Cu12 O281 C288 -7.3 . .
O251 Cu12 O281 C288 -88.9 . .
O512 Cu12 O281 C288 176.3 . .
Cu23 Cu12 O281 C288 -4.4 . .
O272 Cu23 O282 C288 0.0 . .
O252 Cu23 O282 C288 92.8 . .
O262 Cu23 O282 C288 -72.5 . .
O523 Cu23 O282 C288 -177.3 . .
Cu12 Cu23 O282 C288 10.6 . .
C286 C281 C282 C283 -13.9 . .
C288 C281 C282 C283 -176.2 . .
C287 O285 C283 C282 -178.2 . .
C287 O285 C283 C284 -4.8 . .
C281 C282 C283 O285 -178.7 . .
C281 C282 C283 C284 7.6 . .
O285 C283 C284 C285 179.7 . .
C282 C283 C284 C285 -6.9 . .
C283 C284 C285 C286 12.4 . .
C283 C284 C285 C188 -178.6 . .
O181 C188 C285 C284 5.4 . .
O182 C188 C285 C284 -162.2 . .
O181 C188 C285 C286 175.8 . .
O182 C188 C285 C286 8.2 . .
C282 C281 C286 C285 17.2 . .
C288 C281 C286 C285 179.4 . .
C284 C285 C286 C281 -17.0 . .
C188 C285 C286 C281 173.4 . .
Cu12 O281 C288 O282 14.5 . .
Cu12 O281 C288 C281 -170.7 . .
Cu23 O282 C288 O281 -17.6 . .
Cu23 O282 C288 C281 167.2 . .
C286 C281 C288 O281 1.4 . .
C282 C281 C288 O281 164.8 . .
C286 C281 C288 O282 176.7 . .
C282 C281 C288 O282 -20.0 . .
O301 Cu17 O291 C298 5.6 . .
O321 Cu17 O291 C298 -97.3 . .
O311 Cu17 O291 C298 69.8 . .
O517 Cu17 O291 C298 162.8 . .
Cu13 Cu17 O291 C298 -13.6 . .
O322 Cu13 O292 C298 89.5 . .
O312 Cu13 O292 C298 -85.5 . .
O302 Cu13 O292 C298 -14.8 . .
O95 Cu13 O292 C298 -176.2 . .
Cu17 Cu13 O292 C298 3.5 . .
C296 C291 C292 C293 0.8 . .
C298 C291 C292 C293 -171.4 . .
C297 O295 C293 C292 180.0 . .
C297 O295 C293 C294 9.3 . .
C291 C292 C293 O295 -175.3 . .
C291 C292 C293 C294 -4.9 . .
O295 C293 C294 C295 176.7 . .
C292 C293 C294 C295 5.7 . .
C293 C294 C295 C296 -2.6 . .
C293 C294 C295 C178 175.1 . 2_556
C294 C295 C296 C291 -1.6 . .
C178 C295 C296 C291 -179.3 2_556 .
C298 C291 C296 C295 173.4 . .
C292 C291 C296 C295 2.6 . .
Cu13 O292 C298 O291 -15.1 . .
Cu13 O292 C298 C291 160.7 . .
Cu17 O291 C298 O292 20.5 . .
Cu17 O291 C298 C291 -156.2 . .
C296 C291 C298 O292 -170.9 . .
C292 C291 C298 O292 -0.2 . .
C296 C291 C298 O291 5.3 . .
C292 C291 C298 O291 176.0 . .
O291 Cu17 O301 C308 -16.0 . .
O321 Cu17 O301 C308 86.9 . .
O311 Cu17 O301 C308 -80.0 . .
O517 Cu17 O301 C308 -173.3 . .
Cu13 Cu17 O301 C308 3.1 . .
O292 Cu13 O302 C308 6.3 . .
O322 Cu13 O302 C308 -98.2 . .
O312 Cu13 O302 C308 76.4 . .
O95 Cu13 O302 C308 167.8 . .
Cu17 Cu13 O302 C308 -12.0 . .
C306 C301 C302 C113 6.6 . 2_556
C308 C301 C302 C113 176.6 . 2_556
C308 C301 C306 C111 -170.6 . 2_556
C302 C301 C306 C111 1.3 . 2_556
Cu17 O301 C308 O302 -14.5 . .
Cu17 O301 C308 C301 175.7 . .
Cu13 O302 C308 O301 19.4 . .
Cu13 O302 C308 C301 -169.3 . .
C306 C301 C308 O301 -22.7 . .
C302 C301 C308 O301 167.1 . .
C306 C301 C308 O302 166.1 . .
C302 C301 C308 O302 -4.1 . .
O301 Cu17 O311 C318 85.5 . .
O291 Cu17 O311 C318 -86.5 . .
O321 Cu17 O311 C318 -8.5 . .
O517 Cu17 O311 C318 178.0 . .
Cu13 Cu17 O311 C318 -1.2 . .
O292 Cu13 O312 C318 77.1 . .
O322 Cu13 O312 C318 14.1 . .
O302 Cu13 O312 C318 -92.2 . .
O95 Cu13 O312 C318 174.3 . .
Cu17 Cu13 O312 C318 -7.1 . .
C432 C311 C312 C313 -3.3 . .
C318 C311 C312 C313 177.2 . .
C311 C312 C313 C436 4.8 . .
C311 C312 C313 O315 -178.7 . .
C317 O315 C313 C312 -163.5 . .
C317 O315 C313 C436 13.5 . .
Cu17 O311 C318 O312 -4.3 . .
Cu17 O311 C318 C311 174.0 . .
Cu13 O312 C318 O311 8.9 . .
Cu13 O312 C318 C311 -169.2 . .
C432 C311 C318 O311 11.5 . .
C312 C311 C318 O311 -168.9 . .
C432 C311 C318 O312 -170.1 . .
C312 C311 C318 O312 9.4 . .
O301 Cu17 O321 C328 -93.8 . .
O291 Cu17 O321 C328 77.5 . .
O311 Cu17 O321 C328 0.1 . .
O517 Cu17 O321 C328 173.5 . .
Cu13 Cu17 O321 C328 -7.2 . .
O292 Cu13 O322 C328 -86.1 . .
O312 Cu13 O322 C328 -23.4 . .
O302 Cu13 O322 C328 82.9 . .
O95 Cu13 O322 C328 176.4 . .
Cu17 Cu13 O322 C328 -2.2 . .
C326 C321 C322 C323 -1.2 . .
C328 C321 C322 C323 177.5 . .
C327 O325 C323 C22 -144.5 . .
C327 O325 C323 C322 28.6 . .
C21 C22 C323 O325 177.4 . .
C21 C22 C323 C322 3.9 . .
C321 C322 C323 O325 -175.5 . .
C321 C322 C323 C22 -2.4 . .
C322 C321 C326 C21 2.2 . .
C328 C321 C326 C21 -176.6 . .
C22 C21 C326 C321 0.1 . .
C28 C21 C326 C321 175.4 . .
Cu13 O322 C328 O321 -3.1 . .
Cu13 O322 C328 C321 -179.3 . .
Cu17 O321 C328 O322 8.5 . .
Cu17 O321 C328 C321 -175.1 . .
C326 C321 C328 O322 172.7 . .
C322 C321 C328 O322 -6.2 . .
C326 C321 C328 O321 -4.0 . .
C322 C321 C328 O321 177.1 . .
O361 Cu9 O331 C338 90.7 . .
O351 Cu9 O331 C338 -80.0 . .
O341 Cu9 O331 C338 21.0 . .
O509 Cu9 O331 C338 -173.6 . .
Cu22 Cu9 O331 C338 4.8 . .
O352 Cu22 O332 C338 95.1 . .
O342 Cu22 O332 C338 15.2 . .
O362 Cu22 O332 C338 -73.9 . .
O522 Cu22 O332 C338 -168.8 . .
Cu9 Cu22 O332 C338 10.9 . .
Cu22 O332 C338 O331 -11.3 . .
Cu22 O332 C338 C83 171.8 . .
Cu9 O331 C338 O332 2.1 . .
Cu9 O331 C338 C83 179.1 . .
C82 C83 C338 O332 0.7 . .
C84 C83 C338 O332 -175.8 . .
C82 C83 C338 O331 -176.5 . .
C84 C83 C338 O331 7.0 . .
O331 Cu9 O341 C348 -5.7 . .
O361 Cu9 O341 C348 -75.7 . .
O351 Cu9 O341 C348 95.4 . .
O509 Cu9 O341 C348 -171.2 . .
Cu22 Cu9 O341 C348 10.5 . .
O352 Cu22 O342 C348 -86.1 . .
O362 Cu22 O342 C348 83.0 . .
O332 Cu22 O342 C348 -6.6 . .
O522 Cu22 O342 C348 177.3 . .
Cu9 Cu22 O342 C348 -2.2 . .
C346 C341 C342 C343 5.5 . .
C348 C341 C342 C343 172.5 . .
C341 C342 C343 C388 176.6 . .
C341 C342 C343 C344 2.2 . .
C342 C343 C344 C345 -10.4 . .
C388 C343 C344 C345 174.9 . .
C347 O345 C345 C346 164.3 . .
C347 O345 C345 C344 -1.7 . .
C343 C344 C345 C346 15.0 . .
C343 C344 C345 O345 179.0 . .
O345 C345 C346 C341 -171.6 . .
C344 C345 C346 C341 -9.1 . .
C342 C341 C346 C345 -2.5 . .
C348 C341 C346 C345 -168.1 . .
Cu22 O342 C348 O341 12.0 . .
Cu22 O342 C348 C341 -176.1 . .
Cu9 O341 C348 O342 -16.4 . .
Cu9 O341 C348 C341 170.5 . .
C346 C341 C348 O342 165.3 . .
C342 C341 C348 O342 -0.9 . .
C346 C341 C348 O341 -21.7 . .
C342 C341 C348 O341 172.2 . .
O331 Cu9 O351 C358 100.3 . .
O361 Cu9 O351 C358 -8.4 . .
O341 Cu9 O351 C358 -74.4 . .
O509 Cu9 O351 C358 -166.7 . .
Cu22 Cu9 O351 C358 12.5 . .
O342 Cu22 O352 C358 79.5 . .
O362 Cu22 O352 C358 -0.8 . .
O332 Cu22 O352 C358 -87.7 . .
O522 Cu22 O352 C358 169.5 . .
Cu9 Cu22 O352 C358 -5.1 . .
C152 C151 C352 C351 2.1 . .
C158 C151 C352 C351 -176.2 . .
C356 C351 C352 C151 5.2 . .
C358 C351 C352 C151 175.9 . .
O155 C153 C356 C351 -178.2 . .
C152 C153 C356 C351 1.7 . .
C352 C351 C356 C153 -6.9 . .
C358 C351 C356 C153 -176.4 . .
Cu22 O352 C358 O351 15.6 . .
Cu22 O352 C358 C351 -173.2 . .
Cu9 O351 C358 O352 -19.3 . .
Cu9 O351 C358 C351 168.2 . .
C352 C351 C358 O352 23.6 . .
C356 C351 C358 O352 -163.9 . .
C352 C351 C358 O351 -164.8 . .
C356 C351 C358 O351 7.7 . .
O331 Cu9 O361 C368 -92.6 . .
O351 Cu9 O361 C368 16.0 . .
O341 Cu9 O361 C368 82.4 . .
O509 Cu9 O361 C368 174.3 . .
Cu22 Cu9 O361 C368 -4.8 . .
O352 Cu22 O362 C368 14.8 . .
O342 Cu22 O362 C368 -65.6 . .
O332 Cu22 O362 C368 101.3 . .
O522 Cu22 O362 C368 -155.6 . .
Cu9 Cu22 O362 C368 19.1 . .
C366 C361 C362 C363 -9.0 . .
C368 C361 C362 C363 -176.0 . .
C361 C362 C363 C364 10.8 . .
C361 C362 C363 C488 177.8 . .
C362 C363 C364 C365 -11.3 . .
C488 C363 C364 C365 -178.9 . .
C367 O365 C365 C366 175.2 . .
C367 O365 C365 C364 3.8 . .
C363 C364 C365 C366 11.3 . .
C363 C364 C365 O365 -178.1 . .
O365 C365 C366 C361 179.2 . .
C364 C365 C366 C361 -9.6 . .
C362 C361 C366 C365 8.3 . .
C368 C361 C366 C365 176.4 . .
Cu22 O362 C368 O361 -31.9 . .
Cu22 O362 C368 C361 155.0 . .
Cu9 O361 C368 O362 23.8 . .
Cu9 O361 C368 C361 -163.8 . .
C362 C361 C368 O362 -11.5 . .
C366 C361 C368 O362 -179.9 . .
C362 C361 C368 O361 175.0 . .
C366 C361 C368 O361 6.6 . .
O401 Cu7 O371 C378 -82.2 . .
O391 Cu7 O371 C378 88.3 . .
O381 Cu7 O371 C378 0.7 . .
O507 Cu7 O371 C378 -178.3 . .
Cu4 Cu7 O371 C378 4.2 . .
O402 Cu4 O372 C378 97.2 . .
O382 Cu4 O372 C378 -2.0 . .
O392 Cu4 O372 C378 -72.3 . .
O504 Cu4 O372 C378 -160.6 . .
Cu7 Cu4 O372 C378 15.1 . .
C376 C371 C372 C441 -7.1 . 2_556
C378 C371 C372 C441 175.7 . 2_556
C372 C371 C376 C443 3.3 . 2_556
C378 C371 C376 C443 179.5 . 2_556
Cu7 O371 C378 O372 9.8 . .
Cu7 O371 C378 C371 179.5 . .
Cu4 O372 C378 O371 -21.0 . .
Cu4 O372 C378 C371 167.6 . .
C376 C371 C378 O371 180.0 . .
C372 C371 C378 O371 -3.4 . .
C376 C371 C378 O372 -7.2 . .
C372 C371 C378 O372 169.4 . .
O401 Cu7 O381 C388 105.1 . .
O391 Cu7 O381 C388 -66.2 . .
O371 Cu7 O381 C388 21.5 . .
O507 Cu7 O381 C388 -159.5 . .
Cu4 Cu7 O381 C388 18.0 . .
O402 Cu4 O382 C388 -67.1 . .
O372 Cu4 O382 C388 32.1 . .
O392 Cu4 O382 C388 102.8 . .
O504 Cu4 O382 C388 -169.2 . .
Cu7 Cu4 O382 C388 14.9 . .
Cu7 O381 C388 C343 177.7 . .
Cu7 O381 C388 O382 -12.0 . .
C342 C343 C388 O381 -7.6 . .
C344 C343 C388 O381 167.0 . .
C342 C343 C388 O382 -177.8 . .
C344 C343 C388 O382 -3.2 . .
Cu4 O382 C388 O381 -6.7 . .
Cu4 O382 C388 C343 163.8 . .
O401 Cu7 O391 C398 29.6 . .
O371 Cu7 O391 C398 -75.4 . .
O381 Cu7 O391 C398 91.9 . .
O507 Cu7 O391 C398 -171.0 . .
Cu4 Cu7 O391 C398 7.3 . .
O402 Cu4 O392 C398 -0.1 . .
O372 Cu4 O392 C398 97.8 . .
O382 Cu4 O392 C398 -72.4 . .
O504 Cu4 O392 C398 -164.6 . .
Cu7 Cu4 O392 C398 12.0 . .
Cu7 O391 C398 O392 0.9 . .
Cu7 O391 C398 C475 -172.1 . .
Cu4 O392 C398 O391 -11.9 . .
Cu4 O392 C398 C475 161.1 . .
O391 Cu7 O401 C408 -9.9 . .
O371 Cu7 O401 C408 94.9 . .
O381 Cu7 O401 C408 -72.4 . .
O507 Cu7 O401 C408 -169.2 . .
Cu4 Cu7 O401 C408 12.3 . .
O372 Cu4 O402 C408 -80.1 . .
O382 Cu4 O402 C408 89.6 . .
O392 Cu4 O402 C408 17.8 . .
O504 Cu4 O402 C408 -178.1 . .
Cu7 Cu4 O402 C408 5.6 . .
Cu4 O402 C408 O401 1.4 . .
Cu4 O402 C408 C165 -173.6 . .
Cu7 O401 C408 O402 -11.9 . .
Cu7 O401 C408 C165 162.8 . .
C164 C165 C408 O402 -5.8 . .
C166 C165 C408 O402 166.1 . .
C164 C165 C408 O401 179.3 . .
C166 C165 C408 O401 -8.8 . .
O421 Cu2 O411 C418 15.0 . .
O441 Cu2 O411 C418 -95.3 . .
O432 Cu2 O411 C418 73.3 . .
O502 Cu2 O411 C418 165.6 . .
Cu8 Cu2 O411 C418 -10.9 . .
O422 Cu8 O412 C418 -32.0 . .
O442 Cu8 O412 C418 72.8 . .
O431 Cu8 O412 C418 -92.4 . .
O508 Cu8 O412 C418 171.5 . .
Cu2 Cu8 O412 C418 -9.2 . .
C416 C411 C412 C413 7.1 . .
C418 C411 C412 C413 175.0 . .
C411 C412 C413 O415 173.0 . .
C411 C412 C413 C192 -6.4 . 2_556
C417 O415 C413 C412 -5.3 . .
C417 O415 C413 C192 174.0 . 2_556
C412 C411 C416 C191 -1.1 . 2_556
C418 C411 C416 C191 -169.4 . 2_556
Cu8 O412 C418 O411 3.1 . .
Cu8 O412 C418 C411 173.5 . .
Cu2 O411 C418 O412 8.5 . .
Cu2 O411 C418 C411 -162.3 . .
C416 C411 C418 O412 -12.4 . .
C412 C411 C418 O412 178.2 . .
C416 C411 C418 O411 159.2 . .
C412 C411 C418 O411 -10.2 . .
O441 Cu2 O421 C428 74.4 . .
O432 Cu2 O421 C428 -94.1 . .
O411 Cu2 O421 C428 -35.8 . .
O502 Cu2 O421 C428 174.0 . .
Cu8 Cu2 O421 C428 -9.9 . .
O412 Cu8 O422 C428 9.2 . .
O442 Cu8 O422 C428 -95.7 . .
O431 Cu8 O422 C428 69.8 . .
O508 Cu8 O422 C428 165.4 . .
Cu2 Cu8 O422 C428 -13.6 . .
C106 C421 C422 C103 -4.8 2_556 2_556
C428 C421 C422 C103 -175.8 . 2_556
Cu2 O421 C428 O422 1.8 . .
Cu2 O421 C428 C421 176.2 . .
Cu8 O422 C428 O421 12.1 . .
Cu8 O422 C428 C421 -163.5 . .
C422 C421 C428 O421 11.5 . .
C106 C421 C428 O421 -158.9 2_556 .
C422 C421 C428 O422 -173.1 . .
C106 C421 C428 O422 16.4 2_556 .
O422 Cu8 O431 C438 -102.2 . .
O412 Cu8 O431 C438 69.7 . .
O442 Cu8 O431 C438 -24.2 . .
O508 Cu8 O431 C438 161.4 . .
Cu2 Cu8 O431 C438 -14.9 . .
O421 Cu2 O432 C438 66.4 . .
O441 Cu2 O432 C438 -18.2 . .
O411 Cu2 O432 C438 -102.4 . .
O502 Cu2 O432 C438 165.6 . .
Cu8 Cu2 O432 C438 -17.2 . .
C438 C431 C432 C311 180.0 . .
C436 C431 C432 C311 -4.5 . .
C312 C311 C432 C431 3.1 . .
C318 C311 C432 C431 -177.3 . .
C312 C313 C436 C431 -4.9 . .
O315 C313 C436 C431 178.7 . .
C432 C431 C436 C313 4.8 . .
C438 C431 C436 C313 -179.1 . .
Cu2 O432 C438 O431 10.8 . .
Cu2 O432 C438 C431 -165.6 . .
Cu8 O431 C438 O432 7.6 . .
Cu8 O431 C438 C431 -175.4 . .
C432 C431 C438 O432 -179.8 . .
C436 C431 C438 O432 3.8 . .
C432 C431 C438 O431 3.9 . .
C436 C431 C438 O431 -172.5 . .
O421 Cu2 O441 C448 -98.2 . .
O432 Cu2 O441 C448 -14.2 . .
O411 Cu2 O441 C448 69.4 . .
O502 Cu2 O441 C448 162.0 . .
Cu8 Cu2 O441 C448 -15.2 . .
O422 Cu8 O442 C448 79.2 . .
O412 Cu8 O442 C448 -91.7 . .
O431 Cu8 O442 C448 1.9 . .
O508 Cu8 O442 C448 176.3 . .
Cu2 Cu8 O442 C448 -7.4 . .
C448 C441 C442 C443 178.0 . .
C372 C441 C442 C443 4.2 2_556 .
C447 O445 C443 C442 -26.3 . .
C447 O445 C443 C376 153.1 . 2_556
C441 C442 C443 O445 179.2 . .
C441 C442 C443 C376 -0.2 . 2_556
Cu8 O442 C448 O441 -2.4 . .
Cu8 O442 C448 C441 179.4 . .
Cu2 O441 C448 O442 15.4 . .
Cu2 O441 C448 C441 -166.3 . .
C442 C441 C448 O442 -171.8 . .
C372 C441 C448 O442 2.0 2_556 .
C442 C441 C448 O441 9.8 . .
C372 C441 C448 O441 -176.4 2_556 .
O472 Cu11 O451 C458 85.2 . .
O481 Cu11 O451 C458 7.7 . .
O462 Cu11 O451 C458 -82.6 . .
O511 Cu11 O451 C458 -177.9 . .
Cu14 Cu11 O451 C458 -1.5 . .
O471 Cu14 O452 C458 -93.4 . .
O461 Cu14 O452 C458 80.1 . .
O482 Cu14 O452 C458 -17.6 . .
O514 Cu14 O452 C458 173.7 . .
Cu11 Cu14 O452 C458 -8.8 . .
Cu14 O452 C458 O451 11.0 . .
Cu14 O452 C458 C125 -171.4 . .
Cu11 O451 C458 O452 -4.8 . .
Cu11 O451 C458 C125 177.5 . .
C124 C125 C458 O452 -174.8 . .
C126 C125 C458 O452 3.5 . .
C124 C125 C458 O451 3.0 . .
C126 C125 C458 O451 -178.6 . .
O471 Cu14 O461 C468 9.3 . .
O482 Cu14 O461 C468 94.7 . .
O452 Cu14 O461 C468 -73.7 . .
O514 Cu14 O461 C468 -168.0 . .
Cu11 Cu14 O461 C468 7.7 . .
O451 Cu11 O462 C468 78.4 . .
O472 Cu11 O462 C468 5.6 . .
O481 Cu11 O462 C468 -92.1 . .
O511 Cu11 O462 C468 174.7 . .
Cu14 Cu11 O462 C468 -10.7 . .
Cu11 O462 C468 O461 20.7 . .
Cu11 O462 C468 C245 -161.2 . .
Cu14 O461 C468 O462 -18.1 . .
Cu14 O461 C468 C245 163.7 . .
C246 C245 C468 O462 -170.9 . .
C244 C245 C468 O462 9.5 . .
C246 C245 C468 O461 7.3 . .
C244 C245 C468 O461 -172.3 . .
O461 Cu14 O471 C478 -1.5 . .
O482 Cu14 O471 C478 -87.0 . .
O452 Cu14 O471 C478 81.6 . .
O514 Cu14 O471 C478 175.7 . .
Cu11 Cu14 O471 C478 0.1 . .
O451 Cu11 O472 C478 -97.9 . .
O481 Cu11 O472 C478 72.8 . .
O462 Cu11 O472 C478 -25.2 . .
O511 Cu11 O472 C478 165.7 . .
Cu14 Cu11 O472 C478 -9.1 . .
C476 C471 C472 C473 3.6 . .
C478 C471 C472 C473 175.5 . .
C477 O475 C473 C474 8.5 . .
C477 O475 C473 C472 -177.3 . .
C471 C472 C473 C474 -10.8 . .
C471 C472 C473 O475 174.9 . .
O475 C473 C474 C475 -175.1 . .
C472 C473 C474 C475 11.5 . .
C473 C474 C475 C476 -4.4 . .
C473 C474 C475 C398 -179.3 . .
O391 C398 C475 C476 10.0 . .
O392 C398 C475 C476 -164.4 . .
O391 C398 C475 C474 -175.1 . .
O392 C398 C475 C474 10.5 . .
C474 C475 C476 C471 -2.1 . .
C398 C475 C476 C471 172.6 . .
C472 C471 C476 C475 2.5 . .
C478 C471 C476 C475 -169.7 . .
Cu14 O471 C478 O472 -7.8 . .
Cu14 O471 C478 C471 -167.8 . .
Cu11 O472 C478 O471 12.7 . .
Cu11 O472 C478 C471 173.8 . .
C472 C471 C478 O471 163.7 . .
C476 C471 C478 O471 -24.2 . .
C472 C471 C478 O472 1.6 . .
C476 C471 C478 O472 173.7 . .
O451 Cu11 O481 C488 -10.0 . .
O472 Cu11 O481 C488 -87.4 . .
O462 Cu11 O481 C488 80.0 . .
O511 Cu11 O481 C488 175.6 . .
Cu14 Cu11 O481 C488 -0.7 . .
O471 Cu14 O482 C488 75.3 . .
O461 Cu14 O482 C488 -98.2 . .
O452 Cu14 O482 C488 -0.4 . .
O514 Cu14 O482 C488 168.3 . .
Cu11 Cu14 O482 C488 -9.1 . .
Cu14 O482 C488 O481 11.3 . .
Cu14 O482 C488 C363 -176.1 . .
Cu11 O481 C488 O482 -6.1 . .
Cu11 O481 C488 C363 -179.0 . .
C362 C363 C488 O482 2.9 . .
C364 C363 C488 O482 171.0 . .
C362 C363 C488 O481 175.9 . .
C364 C363 C488 O481 -16.0 . .
O421 Cu2 O502 C502 -64.6 . .
O441 Cu2 O502 C502 29.3 . .
O432 Cu2 O502 C502 -151.5 . .
O411 Cu2 O502 C502 121.9 . .
Cu8 Cu2 O502 C502 172.3 . .
O402 Cu4 O504 C504 62.8 . .
O372 Cu4 O504 C504 -29.5 . .
O382 Cu4 O504 C504 154.3 . .
O392 Cu4 O504 C504 -120.0 . .
Cu7 Cu4 O504 C504 -158.3 . .
O331 Cu9 O509 C265 86.1 . 2_667
O361 Cu9 O509 C265 178.5 . 2_667
O351 Cu9 O509 C265 -5.1 . 2_667
O341 Cu9 O509 C265 -95.2 . 2_667
Cu22 Cu9 O509 C265 -30.7 . 2_667
O331 Cu9 O509 C509 -136.4 . .
O361 Cu9 O509 C509 -44.0 . .
O351 Cu9 O509 C509 132.3 . .
O341 Cu9 O509 C509 42.2 . .
Cu22 Cu9 O509 C509 106.7 . .
O222 Cu10 O510 C510 138.7 . .
O212 Cu10 O510 C510 -44.0 . .
O232 Cu10 O510 C510 47.1 . .
O242 Cu10 O510 C510 -134.9 . .
Cu16 Cu10 O510 C510 -23.5 . .
O272 Cu23 O523 C523 47.0 . .
O252 Cu23 O523 C523 -42.3 . .
O262 Cu23 O523 C523 138.7 . .
O282 Cu23 O523 C523 -133.6 . .
Cu12 Cu23 O523 C523 -28.2 . .
C1A C2A C3A C4A 31.1 . .
C2A C3A C4A C5A -35.7 . .
C3A C4A C5A N1A -151.9 . .
C3B C4B C5B C1B -1.0 . .
C4D C5D C6D C1D 55.4 . .
C2D C1D C6D C5D -22.5 . .
O1F N1F C1F C2F 24.4 . .
N1F C1F C2F C3F 168.9 . .
C1F C2F C3F C4F 162.1 . .
C2F C3F C4F C5F 19.0 . .
