#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/71/1517188.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_1517188
loop_
_publ_author_name
'Pang, Jiandong'
'Jiang, Feilong'
'Yuan, Daqiang'
'Zheng, Jun'
'Wu, Mingyan'
'Liu, Guoliang'
'Su, Kongzhao'
'Hong, Maochun'
_publ_section_title
;
 SO42−anion directed hexagonal-prismatic cages via cooperative
 C--H⋯O hydrogen bonds
;
_journal_issue                   11
_journal_name_full               'Chem. Sci.'
_journal_page_first              4163
_journal_paper_doi               10.1039/C4SC01973C
_journal_volume                  5
_journal_year                    2014
_chemical_formula_sum            'C314 H589 N96 Ni32 O224 S11'
_chemical_formula_weight         11525.16
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                119.8440(10)
_cell_angle_beta                 91.894(2)
_cell_angle_gamma                102.976(2)
_cell_formula_units_Z            2
_cell_length_a                   20.5225(8)
_cell_length_b                   39.0486(5)
_cell_length_c                   39.0923(4)
_cell_measurement_reflns_used    32695
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      51.2760
_cell_measurement_theta_min      3.5480
_cell_volume                     26087.7(12)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.5594
_diffrn_measured_fraction_theta_full 0.591
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_unetI/netI     0.0918
_diffrn_reflns_Laue_measured_fraction_full 0.591
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            123628
_diffrn_reflns_point_group_measured_fraction_full 0.591
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         51.362
_diffrn_reflns_theta_min         3.132
_exptl_absorpt_coefficient_mu    2.456
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            bluish
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_description       plate
_exptl_crystal_F_000             12018
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.556
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.883
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     5723
_refine_ls_number_reflns         55850
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.882
_refine_ls_R_factor_all          0.2198
_refine_ls_R_factor_gt           0.1773
_refine_ls_shift/su_max          0.180
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4747
_refine_ls_wR_factor_ref         0.5025
_reflns_Friedel_coverage         0.000
_reflns_number_gt                37230
_reflns_number_total             55850
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4sc01973c2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1517188--1517192.cif.'
_cod_original_cell_volume        26087.7(11)
_cod_database_code               1517188
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ni1 Ni 0.10143(19) 0.95383(10) 0.20909(10) 0.0609(10) Uani 1 1 d . .
Ni2 Ni 0.22686(18) 0.92654(9) 0.17303(8) 0.0543(9) Uani 1 1 d . .
Ni3 Ni 0.18016(17) 0.91486(9) 0.24261(9) 0.0513(9) Uani 1 1 d . .
Ni4 Ni 0.24578(17) 1.00203(9) 0.25757(9) 0.0537(9) Uani 1 1 d . .
Ni5 Ni 0.69731(18) 0.92458(9) 0.24930(9) 0.0525(9) Uani 1 1 d . .
Ni6 Ni 0.80159(18) 0.93844(11) 0.31779(10) 0.0610(10) Uani 1 1 d . .
Ni7 Ni 0.64706(16) 0.90311(9) 0.31210(8) 0.0465(8) Uani 1 1 d . .
Ni8 Ni 0.70661(17) 0.99470(9) 0.33686(9) 0.0501(9) Uani 1 1 d . .
Ni9 Ni 0.1002(3) 0.68895(17) 0.73671(14) 0.1066(17) Uani 1 1 d . .
Ni10 Ni 0.1772(2) 0.67374(12) 0.66535(11) 0.0746(12) Uani 1 1 d . .
Ni11 Ni 0.2426(2) 0.67556(12) 0.73899(11) 0.0763(12) Uani 1 1 d . .
Ni12 Ni 0.2276(3) 0.75644(13) 0.74757(12) 0.0925(15) Uani 1 1 d . .
Ni13 Ni 0.63954(19) 0.72884(9) 0.59517(9) 0.0583(10) Uani 1 1 d . .
Ni14 Ni 0.7006(2) 0.72157(10) 0.66421(9) 0.0647(11) Uani 1 1 d . .
Ni15 Ni 0.7945(2) 0.76706(12) 0.62973(11) 0.0784(12) Uani 1 1 d . .
Ni16 Ni 0.6896(2) 0.80618(10) 0.68020(9) 0.0695(11) Uani 1 1 d . .
Ni17 Ni 0.25793(16) 0.29236(9) 0.64168(8) 0.0494(9) Uani 1 1 d . .
Ni18 Ni 0.38679(16) 0.27034(8) 0.60812(8) 0.0435(8) Uani 1 1 d . .
Ni19 Ni 0.38456(15) 0.31033(9) 0.69899(8) 0.0408(8) Uani 1 1 d . .
Ni20 Ni 0.38685(16) 0.36158(9) 0.65887(8) 0.0415(8) Uani 1 1 d . .
Ni21 Ni 0.89320(18) 0.35479(12) 0.66721(10) 0.0644(10) Uani 1 1 d . .
Ni22 Ni 0.89288(18) 0.44609(12) 0.70910(12) 0.0695(11) Uani 1 1 d . .
Ni23 Ni 0.88885(17) 0.40298(11) 0.75841(10) 0.0594(9) Uani 1 1 d . .
Ni24 Ni 1.01751(19) 0.42273(13) 0.72886(12) 0.0771(12) Uani 1 1 d . .
Ni25 Ni 0.20713(16) 0.54963(10) 0.85567(9) 0.0551(9) Uani 1 1 d . .
Ni26 Ni 0.36193(15) 0.55906(9) 0.86437(8) 0.0414(8) Uani 1 1 d . .
Ni27 Ni 0.29940(16) 0.61074(9) 0.93827(8) 0.0470(8) Uani 1 1 d . .
Ni28 Ni 0.30842(17) 0.62967(9) 0.87016(8) 0.0494(9) Uani 1 1 d . .
Ni29 Ni 0.82101(17) 0.75590(10) 1.00112(9) 0.0566(9) Uani 1 1 d . .
Ni30 Ni 0.77073(19) 0.82414(10) 0.99759(9) 0.0627(10) Uani 1 1 d . .
Ni31 Ni 0.75752(16) 0.81378(9) 1.07024(8) 0.0495(9) Uani 1 1 d . .
Ni32 Ni 0.89860(18) 0.84793(11) 1.05829(9) 0.0639(10) Uani 1 1 d . .
S1 S 0.4522(3) 0.94512(14) 0.25936(13) 0.0456(12) Uani 1 1 d . .
S2 S 0.4474(4) 0.72923(17) 0.68423(15) 0.0665(17) Uani 1 1 d . .
S3 S 0.6377(3) 0.35677(15) 0.68272(14) 0.0479(13) Uani 1 1 d . .
S4 S 0.5531(3) 0.69920(14) 0.95636(13) 0.0466(13) Uani 1 1 d . .
S5 S 0.0681(6) 0.5636(5) 0.8239(5) 0.188(5) Uani 1 1 d . .
S6 S 0.8796(6) 0.8793(3) 1.1476(3) 0.144(4) Uani 1 1 d . .
S7 S 1.0352(5) 0.4204(3) 0.8119(3) 0.119(3) Uani 1 1 d . .
S8 S 0.2433(4) 0.1785(2) 0.45055(18) 0.088(2) Uani 1 1 d . .
S9 S 0.2351(5) 0.2063(3) 0.7462(3) 0.113(3) Uani 1 1 d . .
S10 S 0.2494(3) 0.48048(19) 0.72071(17) 0.0749(18) Uani 1 1 d . .
S11 S 1.1153(11) 0.8819(8) 1.0203(5) 0.289(10) Uani 1 1 d . .
O1 O 0.0755(8) 1.0101(4) 0.2346(4) 0.078(4) Uani 1 1 d . .
O2 O 0.0522(7) 0.9352(4) 0.1518(4) 0.072(4) Uani 1 1 d . .
O3 O 0.0120(8) 0.9285(4) 0.2232(5) 0.088(5) Uani 1 1 d . .
O4 O 0.2043(8) 1.0542(4) 0.2768(4) 0.074(4) Uani 1 1 d . .
O5 O 0.1937(8) 0.9790(5) 0.2013(5) 0.067(4) Uani 1 1 d . .
O6 O 0.1546(7) 0.9689(4) 0.2608(4) 0.059(4) Uani 1 1 d . .
O7 O 0.1376(7) 0.9048(4) 0.1889(4) 0.059(4) Uani 1 1 d . .
O8 O 0.0832(7) 0.8880(4) 0.2493(4) 0.066(4) Uani 1 1 d . .
O9 O 0.1639(9) 0.9077(5) 0.1181(4) 0.090(5) Uani 1 1 d . .
O10 O 0.2643(7) 0.9455(3) 0.2312(3) 0.055(4) Uani 1 1 d . .
O11 O 0.6368(6) 0.9420(3) 0.2917(3) 0.040(3) Uani 1 1 d . .
O12 O 0.6727(7) 0.8660(4) 0.3332(4) 0.054(3) Uani 1 1 d . .
O13 O 0.7216(6) 0.8929(4) 0.2756(3) 0.047(3) Uani 1 1 d . .
O14 O 0.7277(6) 0.9534(4) 0.3511(4) 0.052(3) Uani 1 1 d . .
O15 O 0.7783(7) 0.9104(4) 0.2156(4) 0.075(4) Uani 1 1 d . .
O16 O 0.7715(7) 0.9727(4) 0.2977(4) 0.061(4) Uani 1 1 d . .
O17 O 0.7927(7) 1.0412(4) 0.3801(4) 0.062(4) Uani 1 1 d . .
O18 O 0.8763(8) 0.9902(5) 0.3640(4) 0.077(4) Uani 1 1 d . .
O19 O 0.8749(8) 0.9253(5) 0.2798(5) 0.089(5) Uani 1 1 d . .
O20 O 0.8321(8) 0.9026(5) 0.3392(5) 0.090(5) Uani 1 1 d . .
O21 O 0.3696(8) 0.6982(4) 0.0936(4) 0.068(4) Uani 1 1 d . .
O22 O 0.2887(9) 0.6819(4) 0.1732(4) 0.074(5) Uani 1 1 d . .
O23 O 0.4101(8) 1.0416(5) 0.4929(4) 0.078(5) Uani 1 1 d . .
O24 O 0.4966(9) 1.1660(4) 0.4984(4) 0.077(5) Uani 1 1 d . .
O25 O 0.0046(11) 0.6551(7) 0.6998(6) 0.130(7) Uani 1 1 d . .
O26 O 0.0566(11) 0.7352(7) 0.7749(5) 0.128(8) Uani 1 1 d . .
O27 O 0.0731(10) 0.6587(7) 0.7678(6) 0.120(7) Uani 1 1 d . .
O28 O 0.0800(9) 0.6380(6) 0.6255(5) 0.102(6) Uani 1 1 d . .
O29 O 0.1345(9) 0.7170(5) 0.7066(5) 0.092(5) Uani 1 1 d . .
O30 O 0.1505(9) 0.6484(6) 0.7007(5) 0.090(5) Uani 1 1 d . .
O31 O 0.1719(12) 0.7967(7) 0.7847(5) 0.140(9) Uani 1 1 d . .
O32 O 0.1939(8) 0.7191(5) 0.7711(4) 0.081(5) Uani 1 1 d . .
O33 O 0.1991(9) 0.6438(6) 0.7693(5) 0.094(6) Uani 1 1 d . .
O34 O 0.2616(8) 0.7079(4) 0.7096(4) 0.073(4) Uani 1 1 d . .
O35 O 0.6296(8) 0.7463(4) 0.6538(3) 0.062(4) Uani 1 1 d . .
O36 O 0.7882(8) 0.7019(5) 0.6714(4) 0.079(5) Uani 1 1 d . .
O37 O 0.7664(8) 0.7785(4) 0.6825(4) 0.066(4) Uani 1 1 d . .
O38 O 0.7709(10) 0.8611(4) 0.7023(5) 0.102(6) Uani 1 1 d . .
O39 O 0.7199(7) 0.7127(4) 0.6093(4) 0.058(4) Uani 1 1 d . .
O40 O 0.7104(8) 0.7857(4) 0.6238(3) 0.066(4) Uani 1 1 d . .
O41 O 0.6632(7) 0.7152(4) 0.5380(4) 0.066(4) Uani 1 1 d . .
O42 O 0.8201(9) 0.7557(6) 0.5745(6) 0.104(6) Uani 1 1 d . .
O43 O 0.8652(10) 0.8255(6) 0.6550(5) 0.111(7) Uani 1 1 d . .
O44 O 0.8768(8) 0.7456(6) 0.6394(6) 0.105(6) Uani 1 1 d . .
O45 O 0.6170(11) 0.8510(5) 0.9168(4) 0.093(6) Uani 1 1 d . .
O46 O 0.5912(14) 0.9546(6) 0.9207(5) 0.136(9) Uani 1 1 d . .
O226 O 0.3540(11) 0.8665(5) 0.5953(4) 0.086(6) Uani 1 1 d . .
O48 O 0.2765(9) 0.7648(4) 0.4980(4) 0.083(5) Uani 1 1 d . .
O49 O 0.4084(8) 0.4845(4) 0.5468(4) 0.069(4) Uani 1 1 d . .
O50 O 0.4953(8) 0.5014(4) 0.6673(4) 0.065(4) Uani 1 1 d . .
O51 O 0.1966(7) 0.2424(4) 0.5872(4) 0.076(4) Uani 1 1 d . .
O52 O 0.1944(7) 0.2721(5) 0.6730(4) 0.074(4) Uani 1 1 d . .
O53 O 0.1973(7) 0.3306(4) 0.6442(4) 0.069(4) Uani 1 1 d . .
O54 O 0.3125(7) 0.3913(4) 0.6540(3) 0.059(4) Uani 1 1 d . .
O55 O 0.3222(6) 0.3403(4) 0.6892(3) 0.045(3) Uani 1 1 d . .
O56 O 0.3240(6) 0.3074(4) 0.6111(3) 0.049(3) Uani 1 1 d . .
O57 O 0.3096(7) 0.2957(4) 0.7308(3) 0.054(3) Uani 1 1 d . .
O58 O 0.3256(6) 0.2622(4) 0.6448(3) 0.043(3) Uani 1 1 d . .
O59 O 0.3159(7) 0.2183(3) 0.5586(3) 0.055(4) Uani 1 1 d . .
O60 O 0.4364(6) 0.3229(3) 0.6612(3) 0.039(3) Uani 1 1 d . .
O61 O 0.8375(7) 0.3915(4) 0.7048(4) 0.058(4) Uani 1 1 d . .
O62 O 0.9679(8) 0.3272(6) 0.6347(5) 0.090(5) Uani 1 1 d . .
O63 O 0.9507(7) 0.3729(4) 0.7208(4) 0.065(4) Uani 1 1 d . .
O64 O 0.9552(7) 0.4110(4) 0.6796(4) 0.070(4) Uani 1 1 d . .
O65 O 0.9505(7) 0.4517(4) 0.7579(4) 0.068(4) Uani 1 1 d . .
O66 O 0.9655(9) 0.4995(5) 0.7161(6) 0.099(6) Uani 1 1 d . .
O67 O 1.0839(7) 0.4769(6) 0.7390(6) 0.100(6) Uani 1 1 d . .
O68 O 1.0845(7) 0.3915(5) 0.6939(5) 0.098(6) Uani 1 1 d . .
O69 O 0.9618(7) 0.4158(5) 0.8082(4) 0.074(4) Uani 1 1 d . .
O70 O 1.0672(10) 0.4304(7) 0.7795(6) 0.114(6) Uani 1 1 d . .
O71 O 1.0486(15) 0.3763(8) 0.7971(8) 0.178(10) Uani 1 1 d . .
O72 O 1.0691(14) 0.4451(9) 0.8522(5) 0.183(12) Uani 1 1 d . .
O73 O 0.6359(9) 0.0939(4) 0.5410(4) 0.075(5) Uani 1 1 d . .
O74 O 0.6464(8) 0.1448(4) 0.6656(4) 0.069(4) Uani 1 1 d . .
O75 O 0.6225(7) 0.4774(4) 0.9450(3) 0.054(4) Uani 1 1 d . .
O76 O 0.6453(9) 0.5558(4) 0.8952(4) 0.088(5) Uani 1 1 d . .
O77 O 0.6380(8) 0.4974(4) 0.5593(4) 0.071(4) Uani 1 1 d . .
O78 O 0.6544(9) 0.3740(4) 0.4858(4) 0.077(5) Uani 1 1 d . .
O79 O 0.0379(16) 0.565(2) 0.7849(14) 0.46(5) Uani 1 1 d . .
O80 O 0.0231(12) 0.5368(8) 0.8311(8) 0.168(11) Uani 1 1 d . .
O81 O 0.1356(7) 0.5537(5) 0.8186(4) 0.078(5) Uani 1 1 d . .
O82 O 0.1271(7) 0.5310(5) 0.8817(4) 0.076(5) Uani 1 1 d . .
O83 O 0.1885(7) 0.4861(4) 0.8131(4) 0.073(4) Uani 1 1 d . .
O84 O 0.3395(6) 0.4957(4) 0.8209(3) 0.052(3) Uani 1 1 d . .
O85 O 0.2805(6) 0.5500(4) 0.8923(3) 0.047(3) Uani 1 1 d . .
O86 O 0.2891(6) 0.5662(4) 0.8332(3) 0.048(3) Uani 1 1 d . .
O87 O 0.2123(7) 0.5913(4) 0.9596(4) 0.066(4) Uani 1 1 d . .
O88 O 0.2329(6) 0.6099(4) 0.8968(3) 0.049(3) Uani 1 1 d . .
O89 O 0.2237(7) 0.6282(4) 0.8334(4) 0.062(4) Uani 1 1 d . .
O90 O 0.3690(6) 0.6202(3) 0.9052(3) 0.042(3) Uani 1 1 d . .
O91 O 0.7352(6) 0.7776(3) 1.0097(3) 0.048(3) Uani 1 1 d . .
O92 O 0.9212(7) 0.7479(4) 1.0037(4) 0.071(4) Uani 1 1 d . .
O93 O 0.8627(7) 0.8080(4) 0.9990(4) 0.063(4) Uani 1 1 d . .
O94 O 0.8488(6) 0.7980(4) 1.0604(3) 0.049(3) Uani 1 1 d . .
O95 O 0.8304(9) 0.8767(4) 0.9951(4) 0.087(5) Uani 1 1 d . .
O96 O 0.8069(7) 0.8576(4) 1.0581(3) 0.054(4) Uani 1 1 d . .
O97 O 0.8042(7) 0.8567(4) 1.1322(4) 0.066(4) Uani 1 1 d . .
O98 O 0.9461(8) 0.8983(5) 1.0519(4) 0.092(6) Uani 1 1 d . .
O99 O 0.9912(8) 0.8346(5) 1.0595(4) 0.089(5) Uani 1 1 d . .
O100 O 0.9223(7) 0.8873(4) 1.1204(4) 0.072(4) Uani 1 1 d . .
O101 O 0.853(4) 0.927(3) 1.187(3) 0.54(5) Uiso 1 1 d . .
O102 O 0.9162(11) 0.8505(8) 1.1582(7) 0.138(8) Uani 1 1 d . .
O103 O 0.9678(11) 0.8216(7) 1.1448(6) 0.112(7) Uani 1 1 d . .
O104 O 0.917(2) 0.7758(17) 1.1155(12) 0.266(19) Uani 1 1 d . .
O105 O 1.0275(8) 0.8317(5) 1.1258(5) 0.086(5) Uani 1 1 d . .
O106 O 0.9952(16) 0.8240(13) 1.1800(15) 0.28(2) Uani 1 1 d . .
O107 O 0.6403(7) 0.6376(4) 0.7326(4) 0.057(4) Uani 1 1 d . .
O108 O 0.7225(7) 0.5595(4) 0.7404(4) 0.064(4) Uani 1 1 d . .
O109 O 0.6013(8) 0.5747(5) 1.0674(4) 0.076(4) Uani 1 1 d . .
O110 O 0.5181(8) 0.6701(4) 1.1665(3) 0.064(4) Uani 1 1 d . .
O111 O 0.3757(8) 0.8850(4) 1.0633(4) 0.065(4) Uani 1 1 d . .
O112 O 0.4038(12) 0.8994(4) 0.9666(4) 0.097(6) Uani 1 1 d . .
O113 O 0.4722(8) 0.9906(4) 0.2891(4) 0.081(5) Uani 1 1 d . .
O114 O 0.3821(9) 0.9278(4) 0.2552(4) 0.080(5) Uani 1 1 d . .
O115 O 0.4647(8) 0.9377(5) 0.2183(4) 0.071(4) Uani 1 1 d . .
O116 O 0.4895(9) 0.9233(5) 0.2710(5) 0.085(5) Uani 1 1 d . .
O117 O 0.4578(10) 0.7726(5) 0.7149(5) 0.107(6) Uani 1 1 d . .
O118 O 0.3793(14) 0.7140(7) 0.6725(9) 0.179(12) Uani 1 1 d . .
O119 O 0.476(2) 0.7282(7) 0.6533(7) 0.28(2) Uani 1 1 d . .
O120 O 0.4656(10) 0.7044(5) 0.7019(5) 0.099(6) Uani 1 1 d . .
O121 O 0.6336(10) 0.3610(6) 0.7232(5) 0.111(6) Uani 1 1 d . .
O122 O 0.576(2) 0.3486(14) 0.6934(16) 0.128(15) Uiso 0.5 1 d . P
O123 O 0.5797(14) 0.3483(18) 0.6672(10) 0.18(3) Uani 0.5 1 d . P
O124 O 0.6409(14) 0.3965(8) 0.6799(9) 0.067(8) Uani 0.5 1 d . P
O125 O 0.7003(17) 0.3860(11) 0.6853(10) 0.078(10) Uiso 0.5 1 d . P
O126 O 0.699(2) 0.3498(16) 0.6758(14) 0.098(14) Uiso 0.4 1 d . P
O127 O 0.6380(11) 0.3143(6) 0.6464(8) 0.083(9) Uani 0.6 1 d . P
O128 O 0.5392(9) 0.7244(6) 0.9385(6) 0.112(6) Uani 1 1 d . .
O129 O 0.4882(14) 0.6765(8) 0.9588(8) 0.063(8) Uiso 0.5 1 d . P
O130 O 0.516(2) 0.6605(12) 0.9260(11) 0.077(11) Uiso 0.4 1 d . P
O131 O 0.5861(11) 0.6645(7) 0.9298(6) 0.074(8) Uani 0.6 1 d . P
O132 O 0.6255(17) 0.7063(10) 0.9594(10) 0.084(9) Uiso 0.5 1 d . P
O133 O 0.5947(15) 0.7262(8) 0.9928(8) 0.075(9) Uani 0.5 1 d . P
O134 O 0.5340(13) 0.7103(7) 0.9981(7) 0.045(6) Uiso 0.5 1 d . P
O135 O 0.2638(12) 0.1624(5) 0.4113(4) 0.125(8) Uani 1 1 d . .
O136 O 0.2502(9) 0.2256(5) 0.4690(5) 0.095(5) Uani 1 1 d . .
O137 O 0.1753(11) 0.1566(7) 0.4491(6) 0.140(8) Uani 1 1 d . .
O138 O 0.2940(13) 0.1759(5) 0.4789(5) 0.132(8) Uani 1 1 d . .
O139 O 0.2414(8) 0.1813(5) 0.7048(5) 0.086(5) Uani 1 1 d . .
O140 O 0.2865(12) 0.2499(7) 0.7644(7) 0.143(8) Uani 1 1 d . .
O141 O 0.1649(12) 0.2115(9) 0.7467(10) 0.190(12) Uani 1 1 d . .
O142 O 0.2474(9) 0.1888(6) 0.7699(6) 0.107(6) Uani 1 1 d . .
O143 O 0.2981(8) 0.4702(5) 0.6932(4) 0.080(5) Uani 1 1 d . .
O144 O 0.1790(9) 0.4600(7) 0.6961(5) 0.115(7) Uani 1 1 d . .
O145 O 0.2565(7) 0.4660(5) 0.7495(4) 0.078(5) Uani 1 1 d . .
O146 O 0.2574(10) 0.5258(5) 0.7458(4) 0.109(7) Uani 1 1 d . .
O147 O 1.148(2) 0.8797(12) 0.9827(10) 0.28(2) Uani 1 1 d . .
O148 O 1.077(4) 0.8413(9) 1.0345(8) 0.45(5) Uani 1 1 d . .
O149 O 1.000(6) 0.812(4) 0.980(4) 0.66(7) Uiso 1 1 d . .
O150 O 1.167(2) 0.9246(14) 1.0621(13) 0.262(17) Uiso 1 1 d . .
O151 O 0.857(2) 0.9714(14) 0.1268(12) 0.245(16) Uiso 1 1 d . .
O152 O 0.816(2) 0.9386(14) 0.1184(12) 0.253(17) Uiso 1 1 d . .
O153 O 0.1601(16) 0.7800(10) 0.0084(9) 0.202(12) Uiso 1 1 d . .
O154 O 0.1557(12) 0.6997(8) 0.0836(7) 0.156(9) Uiso 1 1 d . .
O155 O 0.162(2) 0.6165(16) 0.0318(15) 0.32(2) Uiso 1 1 d . .
O156 O 0.116(2) 0.6722(15) 0.1313(13) 0.30(2) Uiso 1 1 d . .
O157 O 0.1386(17) 0.6050(11) 0.1343(10) 0.218(13) Uiso 1 1 d . .
O158 O 0.131(2) 0.8786(13) 0.5931(12) 0.265(17) Uiso 1 1 d . .
O159 O 0.289(4) 0.616(2) 0.293(2) 0.40(4) Uiso 1 1 d . .
O160 O 0.1563(18) 0.8356(11) 0.6232(10) 0.231(14) Uiso 1 1 d . .
O161 O 0.1828(16) 0.9117(10) 0.7749(9) 0.205(12) Uiso 1 1 d . .
O162 O 0.125(3) 0.3671(19) 0.1074(17) 0.37(3) Uiso 1 1 d . .
O163 O 0.0129(17) 0.2907(11) 0.0599(10) 0.223(14) Uiso 1 1 d . .
O164 O 0.0432(16) 0.7567(10) 0.6870(10) 0.198(12) Uiso 1 1 d . .
O165 O 0.0164(11) 0.7818(7) 0.7188(7) 0.131(7) Uiso 1 1 d . .
O166 O -0.037(2) 0.7715(13) 0.7416(12) 0.252(16) Uiso 1 1 d . .
O167 O 0.0345(12) 0.1786(7) 0.0519(7) 0.143(8) Uiso 1 1 d . .
O168 O 0.088(7) 0.829(5) 0.870(4) 0.82(10) Uiso 1 1 d . .
O169 O 0.0024(11) 0.7351(7) 0.8587(7) 0.132(7) Uiso 1 1 d . .
O170 O 0.0179(19) 0.7501(12) 0.9079(12) 0.245(15) Uiso 1 1 d . .
O171 O 0.1835(15) 0.7528(10) 0.8591(9) 0.195(11) Uiso 1 1 d . .
O172 O 0.015(2) 0.3161(16) 0.3591(15) 0.33(2) Uiso 1 1 d . .
O173 O 0.124(3) 0.6703(18) 0.8412(17) 0.36(3) Uiso 1 1 d . .
O174 O 0.1584(10) 0.5588(6) 0.7391(6) 0.114(6) Uiso 1 1 d . .
O175 O 0.230(2) 0.3670(13) 0.4517(12) 0.257(16) Uiso 1 1 d . .
O176 O 0.212(2) 0.3489(14) 0.4849(14) 0.284(19) Uiso 1 1 d . .
O177 O 0.2762(14) 0.3445(8) 0.5037(8) 0.165(9) Uiso 1 1 d . .
O178 O 0.049(3) 0.295(2) 0.5610(18) 0.39(3) Uiso 1 1 d . .
O179 O 0.066(2) 0.1663(13) 0.4039(12) 0.266(17) Uiso 1 1 d . .
O180 O -0.1050(12) 0.0284(7) 0.2901(7) 0.140(8) Uiso 1 1 d . .
O181 O -0.0316(13) 0.0441(8) 0.3212(8) 0.164(9) Uiso 1 1 d . .
O182 O -0.0138(14) 0.0372(9) 0.3571(9) 0.182(10) Uiso 1 1 d . .
O183 O 0.0315(7) 0.0159(4) 0.3274(4) 0.057(4) Uiso 1 1 d . .
O184 O -0.008(2) -0.0252(15) 0.2962(14) 0.30(2) Uiso 1 1 d . .
O185 O 0.060(2) 0.2799(15) 0.6739(14) 0.30(2) Uiso 1 1 d . .
O186 O 0.025(2) 0.3069(16) 0.7329(14) 0.32(2) Uiso 1 1 d . .
O187 O 0.169(3) 0.499(2) 0.9504(18) 0.39(3) Uiso 1 1 d . .
O188 O 0.215(2) 0.4676(15) 0.9006(14) 0.30(2) Uiso 1 1 d . .
O189 O 0.2826(9) 0.4344(6) 0.8360(5) 0.103(6) Uiso 1 1 d . .
O190 O 0.2549(16) 0.1081(10) 0.4844(9) 0.206(12) Uiso 1 1 d . .
O191 O 0.2271(12) 0.1904(8) 0.6405(7) 0.150(8) Uiso 1 1 d . .
O192 O 0.2118(18) 0.1232(12) 0.5607(11) 0.242(15) Uiso 1 1 d . .
O193 O 0.253(2) 0.0937(14) 0.5883(12) 0.248(17) Uiso 1 1 d . .
O194 O 0.211(3) 0.0587(19) 0.5699(15) 0.30(2) Uiso 1 1 d . .
O195 O 0.211(2) 0.0043(14) 0.5485(12) 0.269(17) Uiso 1 1 d . .
O196 O 0.1221(17) 0.1507(11) 0.7776(10) 0.228(14) Uiso 1 1 d . .
O197 O 0.0526(17) 0.0209(11) 0.8905(10) 0.216(13) Uiso 1 1 d . .
O198 O -0.058(3) 0.003(2) 0.873(2) 0.42(3) Uiso 1 1 d . .
O199 O 0.477(4) 0.046(3) 0.748(3) 0.49(4) Uiso 1 1 d . .
O200 O 0.675(4) 0.062(3) 0.706(3) 0.51(5) Uiso 1 1 d . .
O201 O 0.870(3) 0.190(2) 0.720(2) 0.43(3) Uiso 1 1 d . .
O202 O 0.793(3) 0.421(2) 0.9287(18) 0.40(3) Uiso 1 1 d . .
O203 O 0.854(2) 0.5024(14) 0.9580(13) 0.285(19) Uiso 1 1 d . .
O204 O 0.8074(18) 0.6649(12) 1.1234(11) 0.247(15) Uiso 1 1 d . .
O205 O 0.898(2) 0.1017(13) 0.2927(12) 0.260(17) Uiso 1 1 d . .
O206 O 0.883(2) 0.1462(15) 0.2136(13) 0.293(19) Uiso 1 1 d . .
O207 O 0.8711(19) 0.3856(12) 0.5061(11) 0.251(16) Uiso 1 1 d . .
O208 O 0.919(4) 0.990(2) 1.200(2) 0.23(3) Uiso 0.5 1 d . P
O209 O 0.8568(14) 0.7345(9) 0.8029(8) 0.178(10) Uiso 1 1 d . .
O210 O 0.882(2) 0.7016(14) 0.7230(13) 0.289(19) Uiso 1 1 d . .
O211 O 0.946(3) 0.4419(18) 0.3312(16) 0.36(3) Uiso 1 1 d . .
O212 O 1.011(3) 0.4177(17) 0.2751(15) 0.34(2) Uiso 1 1 d . .
O213 O 0.8953(19) 0.3539(13) 0.0749(12) 0.258(16) Uiso 1 1 d . .
O214 O 0.9665(14) 0.5776(9) 0.3778(8) 0.183(11) Uiso 1 1 d . .
O215 O 0.805(2) 0.5249(13) 0.4174(12) 0.264(17) Uiso 1 1 d . .
O216 O 0.759(2) 0.5596(15) 0.3831(13) 0.30(2) Uiso 1 1 d . .
O217 O 0.8880(18) 0.8265(12) 0.7482(11) 0.242(15) Uiso 1 1 d . .
O218 O 0.8367(14) 0.8663(9) 0.8684(8) 0.184(11) Uiso 1 1 d . .
O219 O 0.876(3) 0.9835(14) 0.8380(13) 0.123(14) Uiso 0.5 1 d . P
O220 O 0.7723(9) 0.7172(6) 0.4606(5) 0.108(6) Uiso 1 1 d . .
O221 O 0.8354(11) 0.9000(7) 0.6508(6) 0.130(7) Uiso 1 1 d . .
O222 O 0.8686(19) 0.9331(13) 0.5816(11) 0.254(16) Uiso 1 1 d . .
O223 O 0.8044(18) 0.9649(12) 0.5473(11) 0.238(15) Uiso 1 1 d . .
O224 O 0.6179(9) 1.0966(4) 0.1837(4) 0.072(4) Uani 1 1 d . .
O225 O 0.5849(10) 0.9893(5) 0.0705(4) 0.083(5) Uani 1 1 d . .
N1 N 0.2518(10) 0.8712(4) 0.1466(4) 0.062(5) Uani 1 1 d . .
N2 N 0.3011(9) 0.8224(5) 0.1314(4) 0.054(4) Uani 1 1 d . .
N3 N 0.5367(9) 0.8265(5) 0.1616(4) 0.049(4) Uani 1 1 d . .
N4 N 0.6277(10) 0.8732(4) 0.2034(4) 0.045(4) Uani 1 1 d . .
N5 N 0.2016(9) 0.8598(5) 0.2197(4) 0.052(4) Uani 1 1 d . .
N6 N 0.2439(9) 0.8082(4) 0.2057(4) 0.043(4) Uani 1 1 d . .
N7 N 0.4775(10) 0.8042(5) 0.2322(4) 0.050(5) Uani 1 1 d . .
N8 N 0.5731(8) 0.8507(4) 0.2690(4) 0.037(4) Uani 1 1 d . .
N9 N 0.2190(9) 0.9336(5) 0.3003(4) 0.049(4) Uani 1 1 d . .
N10 N 0.2868(9) 0.9590(4) 0.3571(4) 0.044(4) Uani 1 1 d . .
N11 N 0.5094(8) 0.9498(5) 0.3909(4) 0.048(4) Uani 1 1 d . .
N12 N 0.5825(8) 0.9198(4) 0.3545(5) 0.051(4) Uani 1 1 d . .
N13 N 0.2860(8) 1.0255(5) 0.3165(5) 0.045(4) Uani 1 1 d . .
N14 N 0.3559(10) 1.0570(5) 0.3741(5) 0.060(5) Uani 1 1 d . .
N15 N 0.5774(8) 1.0529(5) 0.4136(4) 0.049(4) Uani 1 1 d . .
N16 N 0.6487(8) 1.0185(4) 0.3801(4) 0.042(4) Uani 1 1 d . .
N17 N 0.3312(9) 1.0332(5) 0.2471(4) 0.052(4) Uani 1 1 d . .
N18 N 0.4337(9) 1.0582(4) 0.2401(4) 0.046(4) Uani 1 1 d . .
N19 N 0.6580(10) 1.0567(5) 0.2816(4) 0.057(5) Uani 1 1 d . .
N20 N 0.6969(10) 1.0320(5) 0.3152(5) 0.050(4) Uani 1 1 d . .
N21 N 0.3091(10) 0.9535(5) 0.1575(4) 0.054(4) Uani 1 1 d . .
N22 N 0.4088(10) 0.9734(5) 0.1433(4) 0.055(5) Uani 1 1 d . .
N23 N 0.6405(10) 0.9753(4) 0.1831(4) 0.054(5) Uani 1 1 d . .
N24 N 0.6830(10) 0.9580(5) 0.2226(5) 0.063(5) Uani 1 1 d . .
N25 N 0.3297(12) 0.7082(6) 0.7820(5) 0.069(5) Uani 1 1 d . .
N26 N 0.4358(14) 0.7438(6) 0.8189(5) 0.079(7) Uani 1 1 d . .
N27 N 0.6498(13) 0.7644(6) 0.7795(6) 0.071(6) Uani 1 1 d . .
N28 N 0.6862(13) 0.7404(5) 0.7243(5) 0.078(6) Uani 1 1 d . .
N29 N 0.3117(16) 0.7916(7) 0.7901(5) 0.093(8) Uani 1 1 d . .
N30 N 0.4145(12) 0.8343(7) 0.8277(6) 0.080(6) Uani 1 1 d U .
N31 N 0.6407(14) 0.8577(6) 0.7952(5) 0.079(6) Uani 1 1 d . .
N32 N 0.6774(14) 0.8290(6) 0.7406(5) 0.085(7) Uani 1 1 d . .
N33 N 0.2482(13) 0.7869(7) 0.7183(6) 0.094(8) Uani 1 1 d . .
N34 N 0.2952(12) 0.8152(5) 0.6838(5) 0.078(6) Uani 1 1 d . .
N35 N 0.5260(13) 0.8489(5) 0.6627(4) 0.067(6) Uani 1 1 d . .
N36 N 0.6193(13) 0.8324(5) 0.6714(4) 0.065(6) Uani 1 1 d . .
N37 N 0.1957(11) 0.7003(5) 0.6308(5) 0.070(5) Uani 1 1 d . .
N38 N 0.2360(12) 0.7241(5) 0.5938(5) 0.073(6) Uani 1 1 d . .
N39 N 0.4638(11) 0.7591(4) 0.5684(4) 0.053(5) Uani 1 1 d . .
N40 N 0.5637(10) 0.7508(5) 0.5832(4) 0.054(5) Uani 1 1 d . .
N41 N 0.2169(13) 0.6260(7) 0.6263(6) 0.089(7) Uani 1 1 d . .
N42 N 0.2834(10) 0.5851(5) 0.5948(5) 0.059(5) Uani 1 1 d . .
N43 N 0.5039(9) 0.6132(4) 0.5587(4) 0.053(4) Uani 1 1 d . .
N44 N 0.5750(10) 0.6687(5) 0.5689(4) 0.060(5) Uani 1 1 d . .
N45 N 0.2834(11) 0.6275(5) 0.7043(5) 0.067(5) Uani 1 1 d . .
N46 N 0.3500(11) 0.5876(6) 0.6792(5) 0.064(5) Uani 1 1 d . .
N47 N 0.5739(10) 0.6101(5) 0.6416(4) 0.058(5) Uani 1 1 d . .
N48 N 0.6436(10) 0.6632(5) 0.6438(5) 0.063(5) Uani 1 1 d . .
N49 N 0.4414(9) 0.2301(4) 0.6066(4) 0.041(4) Uani 1 1 d . .
N50 N 0.5174(10) 0.1952(5) 0.5959(4) 0.050(4) Uani 1 1 d . .
N51 N 0.7628(10) 0.2366(6) 0.6270(5) 0.061(5) Uani 1 1 d . .
N52 N 0.8383(10) 0.2968(5) 0.6549(5) 0.060(5) Uani 1 1 d . .
N53 N 0.4375(8) 0.2724(4) 0.7006(4) 0.035(3) Uani 1 1 d . .
N54 N 0.5154(7) 0.2392(4) 0.6962(3) 0.035(3) Uani 1 1 d . .
N55 N 0.7624(8) 0.2893(5) 0.7338(5) 0.051(4) Uani 1 1 d . .
N56 N 0.8358(9) 0.3509(5) 0.7551(5) 0.057(4) Uani 1 1 d . .
N57 N 0.4378(8) 0.3607(4) 0.7540(4) 0.043(4) Uani 1 1 d . .
N58 N 0.5108(8) 0.4034(4) 0.8097(4) 0.037(4) Uani 1 1 d . .
N59 N 0.7563(10) 0.4526(5) 0.8392(5) 0.059(5) Uani 1 1 d . .
N60 N 0.8349(9) 0.4366(5) 0.8001(4) 0.051(4) Uani 1 1 d . .
N61 N 0.4383(8) 0.4137(4) 0.7110(4) 0.033(3) Uani 1 1 d . .
N62 N 0.5187(8) 0.4607(4) 0.7651(4) 0.043(4) Uani 1 1 d . .
N63 N 0.7627(10) 0.5050(5) 0.7836(5) 0.058(5) Uani 1 1 d . .
N64 N 0.8368(10) 0.4806(5) 0.7445(5) 0.065(5) Uani 1 1 d . .
N65 N 0.4410(9) 0.3784(4) 0.6224(4) 0.039(4) Uani 1 1 d . .
N66 N 0.5181(9) 0.4102(5) 0.6021(4) 0.047(4) Uani 1 1 d . .
N67 N 0.7654(10) 0.4465(6) 0.6233(5) 0.075(6) Uani 1 1 d . .
N68 N 0.8402(11) 0.4400(6) 0.6595(5) 0.073(6) Uani 1 1 d . .
N69 N 0.4393(9) 0.2834(4) 0.5707(4) 0.045(4) Uani 1 1 d . .
N70 N 0.5202(8) 0.3093(4) 0.5459(4) 0.044(4) Uani 1 1 d . .
N71 N 0.7698(9) 0.3412(5) 0.5714(5) 0.063(5) Uani 1 1 d . .
N72 N 0.8404(12) 0.3447(6) 0.6151(5) 0.084(6) Uani 1 1 d . .
N73 N 0.3748(9) 0.6388(4) 0.8359(4) 0.049(4) Uani 1 1 d . .
N74 N 0.4684(9) 0.6558(5) 0.8127(4) 0.053(5) Uani 1 1 d . .
N75 N 0.7030(10) 0.7417(6) 0.8733(4) 0.077(6) Uani 1 1 d . .
N76 N 0.7476(9) 0.7883(5) 0.9360(5) 0.067(5) Uani 1 1 d . .
N77 N 0.4351(8) 0.5680(4) 0.8324(4) 0.031(3) Uani 1 1 d . .
N78 N 0.5341(8) 0.5786(4) 0.8109(4) 0.043(4) Uani 1 1 d . .
N79 N 0.7612(8) 0.6681(5) 0.8776(4) 0.052(4) Uani 1 1 d . .
N80 N 0.8025(9) 0.7178(5) 0.9400(4) 0.060(5) Uani 1 1 d . .
N81 N 0.4255(8) 0.5505(5) 0.8990(4) 0.049(4) Uani 1 1 d . .
N82 N 0.4989(8) 0.5610(5) 0.9495(5) 0.054(4) Uani 1 1 d . .
N83 N 0.7201(8) 0.6610(5) 1.0203(4) 0.048(4) Uani 1 1 d . .
N84 N 0.7832(8) 0.7091(5) 1.0110(4) 0.048(4) Uani 1 1 d . .
N85 N 0.3588(8) 0.6077(5) 0.9792(4) 0.046(4) Uani 1 1 d . .
N86 N 0.4326(8) 0.6264(5) 1.0324(4) 0.052(4) Uani 1 1 d . .
N87 N 0.6532(8) 0.7260(5) 1.0974(4) 0.047(4) Uani 1 1 d . .
N88 N 0.7195(9) 0.7705(5) 1.0851(4) 0.047(4) Uani 1 1 d . .
N89 N 0.3077(9) 0.6725(5) 0.9779(4) 0.048(4) Uani 1 1 d . .
N90 N 0.3411(9) 0.7403(5) 1.0134(4) 0.056(4) Uani 1 1 d . .
N91 N 0.5655(9) 0.8396(4) 1.0769(4) 0.045(4) Uani 1 1 d . .
N92 N 0.6709(8) 0.8347(4) 1.0803(4) 0.043(4) Uani 1 1 d . .
N93 N 0.3195(9) 0.6931(5) 0.9072(4) 0.048(4) Uani 1 1 d . .
N94 N 0.3561(11) 0.7596(5) 0.9367(4) 0.057(5) Uani 1 1 d . .
N95 N 0.5817(13) 0.8536(5) 0.9958(4) 0.069(6) Uani 1 1 d . .
N96 N 0.6893(11) 0.8448(5) 1.0027(5) 0.065(5) Uani 1 1 d . .
C1 C 0.3088(10) 0.8626(5) 0.1557(5) 0.046(5) Uani 1 1 d . .
C2 C 0.2092(12) 0.8351(7) 0.1131(6) 0.074(7) Uani 1 1 d . .
C3 C 0.2383(13) 0.8034(8) 0.1035(7) 0.084(8) Uani 1 1 d . .
C4 C 0.3537(11) 0.8026(5) 0.1307(5) 0.038(5) Uani 1 1 d . .
C5 C 0.3307(12) 0.7594(7) 0.1123(5) 0.066(6) Uani 1 1 d . .
C6 C 0.3828(13) 0.7400(7) 0.1106(5) 0.055(6) Uani 1 1 d . .
C7 C 0.4480(12) 0.7624(6) 0.1261(5) 0.046(5) Uani 1 1 d . .
C8 C 0.4641(12) 0.8032(6) 0.1441(5) 0.052(6) Uani 1 1 d . .
C9 C 0.4188(12) 0.8243(6) 0.1467(5) 0.049(5) Uani 1 1 d . .
C10 C 0.5626(12) 0.8645(5) 0.1950(5) 0.043(5) Uani 1 1 d . .
C11 C 0.5896(15) 0.8099(7) 0.1476(7) 0.075(8) Uani 1 1 d . .
C12 C 0.6487(12) 0.8393(7) 0.1735(6) 0.059(6) Uani 1 1 d . .
C13 C 0.2991(12) 0.6721(6) 0.0763(6) 0.064(6) Uani 1 1 d U .
C14 C 0.2546(11) 0.8492(6) 0.2271(5) 0.048(5) Uani 1 1 d . .
C15 C 0.1573(14) 0.8183(8) 0.1875(8) 0.100(9) Uani 1 1 d . .
C16 C 0.1804(12) 0.7907(6) 0.1836(7) 0.073(7) Uani 1 1 d . .
C17 C 0.2965(11) 0.7862(6) 0.2058(5) 0.049(5) Uani 1 1 d . .
C18 C 0.2691(12) 0.7445(6) 0.1897(5) 0.057(6) Uani 1 1 d . .
C19 C 0.3177(13) 0.7235(6) 0.1899(5) 0.057(6) Uani 1 1 d . .
C20 C 0.3854(11) 0.7412(6) 0.2035(5) 0.048(5) Uani 1 1 d . .
C21 C 0.4037(12) 0.7847(5) 0.2183(5) 0.046(5) Uani 1 1 d . .
C22 C 0.3626(11) 0.8067(6) 0.2211(5) 0.044(5) Uani 1 1 d . .
C23 C 0.5078(10) 0.8441(6) 0.2648(5) 0.040(5) Uani 1 1 d . .
C24 C 0.5894(12) 0.8153(6) 0.2395(6) 0.051(5) Uani 1 1 d . .
C25 C 0.5299(11) 0.7871(6) 0.2171(5) 0.045(5) Uani 1 1 d . .
C26 C 0.3403(13) 0.6579(6) 0.1666(7) 0.086(8) Uani 1 1 d . .
C27 C 0.2818(10) 0.9459(5) 0.3188(5) 0.036(4) Uani 1 1 d . .
C28 C 0.1826(11) 0.9382(7) 0.3296(6) 0.062(6) Uani 1 1 d . .
C29 C 0.2200(12) 0.9544(7) 0.3657(7) 0.067(6) Uani 1 1 d . .
C30 C 0.3478(11) 0.9729(5) 0.3849(5) 0.044(5) Uani 1 1 d . .
C31 C 0.3470(12) 1.0035(6) 0.4269(5) 0.054(6) Uani 1 1 d . .
C32 C 0.4045(11) 1.0136(6) 0.4530(5) 0.046(5) Uani 1 1 d . .
C33 C 0.4584(11) 0.9987(6) 0.4426(5) 0.055(6) Uani 1 1 d . .
C34 C 0.4546(11) 0.9687(5) 0.4013(5) 0.051(5) Uani 1 1 d . .
C35 C 0.4010(11) 0.9571(7) 0.3736(5) 0.055(6) Uani 1 1 d . .
C36 C 0.5292(11) 0.9342(6) 0.3532(5) 0.051(5) Uani 1 1 d . .
C37 C 0.5485(10) 0.9416(6) 0.4137(5) 0.049(5) Uani 1 1 d . .
C38 C 0.5919(12) 0.9217(6) 0.3905(6) 0.062(6) Uani 1 1 d . .
C39 C 0.3546(12) 1.0605(7) 0.5048(5) 0.072(7) Uani 1 1 d . .
C40 C 0.3506(14) 1.0354(6) 0.3322(5) 0.064(7) Uani 1 1 d . .
C41 C 0.2478(12) 1.0404(6) 0.3471(6) 0.065(6) Uani 1 1 d . .
C42 C 0.2939(12) 1.0593(6) 0.3838(7) 0.064(6) Uani 1 1 d . .
C43 C 0.4162(11) 1.0737(6) 0.3996(5) 0.048(5) Uani 1 1 d . .
C44 C 0.4259(12) 1.1144(5) 0.4374(5) 0.055(6) Uani 1 1 d . .
C45 C 0.4823(12) 1.1286(6) 0.4639(5) 0.054(6) Uani 1 1 d . .
C46 C 0.5339(11) 1.1097(6) 0.4558(6) 0.056(6) Uani 1 1 d . .
C47 C 0.5284(11) 1.0739(5) 0.4210(5) 0.045(5) Uani 1 1 d . .
C48 C 0.4680(11) 1.0543(6) 0.3921(5) 0.053(5) Uani 1 1 d . .
C49 C 0.5973(13) 1.0299(6) 0.3771(6) 0.067(7) Uani 1 1 d . .
C50 C 0.6221(11) 1.0541(6) 0.4421(5) 0.055(6) Uani 1 1 d . .
C51 C 0.6645(11) 1.0294(6) 0.4190(5) 0.053(5) Uani 1 1 d . .
C52 C 0.4399(13) 1.1841(8) 0.5084(6) 0.079(7) Uani 1 1 d . .
C53 C 0.3926(11) 1.0308(5) 0.2490(5) 0.046(5) Uani 1 1 d . .
C54 C 0.3283(13) 1.0629(6) 0.2385(6) 0.068(7) Uani 1 1 d . .
C55 C 0.3933(13) 1.0755(6) 0.2306(5) 0.061(6) Uani 1 1 d . .
C56 C 0.5035(10) 1.0649(6) 0.2372(5) 0.047(5) Uani 1 1 d U .
C57 C 0.5276(13) 1.0781(6) 0.2120(6) 0.059(6) Uani 1 1 d . .
C58 C 0.5989(13) 1.0851(5) 0.2104(6) 0.057(6) Uani 1 1 d . .
C59 C 0.6407(12) 1.0776(6) 0.2320(5) 0.057(6) Uani 1 1 d . .
C60 C 0.6144(11) 1.0642(5) 0.2583(5) 0.045(5) Uani 1 1 d . .
C61 C 0.5458(11) 1.0573(5) 0.2613(5) 0.047(5) Uani 1 1 d . .
C62 C 0.6410(12) 1.0320(6) 0.2958(6) 0.056(6) Uani 1 1 d . .
C63 C 0.7276(12) 1.0729(7) 0.2915(7) 0.069(6) Uani 1 1 d . .
C64 C 0.7493(12) 1.0576(6) 0.3138(6) 0.063(6) Uani 1 1 d . .
C65 C 0.6956(15) 1.1073(8) 0.1839(8) 0.090(9) Uani 1 1 d . .
C66 C 0.3730(12) 0.9520(6) 0.1596(5) 0.056(6) Uani 1 1 d . .
C67 C 0.3064(15) 0.9783(7) 0.1404(6) 0.078(8) Uani 1 1 d . .
C68 C 0.3697(13) 0.9907(7) 0.1317(6) 0.066(6) Uani 1 1 d . .
C69 C 0.4767(17) 0.9760(6) 0.1394(6) 0.075(8) Uani 1 1 d . .
C70 C 0.4968(15) 0.9820(7) 0.1065(6) 0.066(7) Uani 1 1 d . .
C71 C 0.5636(17) 0.9855(6) 0.1029(6) 0.077(8) Uani 1 1 d . .
C72 C 0.6136(12) 0.9825(5) 0.1258(5) 0.060(6) Uani 1 1 d . .
C73 C 0.5878(13) 0.9763(5) 0.1569(5) 0.052(6) Uani 1 1 d . .
C74 C 0.5237(12) 0.9729(5) 0.1640(6) 0.045(5) Uani 1 1 d . .
C75 C 0.6237(12) 0.9559(5) 0.2049(5) 0.050(6) Uani 1 1 d . .
C76 C 0.7096(11) 0.9910(6) 0.1887(6) 0.051(5) Uani 1 1 d . .
C77 C 0.7359(13) 0.9783(7) 0.2142(7) 0.077(7) Uani 1 1 d . .
C78 C 0.663(2) 1.0050(12) 0.0708(11) 0.158(15) Uani 1 1 d . .
C80 C 0.3884(16) 0.7238(7) 0.7804(7) 0.074(7) Uani 1 1 d . .
C81 C 0.3283(18) 0.7167(9) 0.8233(7) 0.089(9) Uani 1 1 d . .
C82 C 0.3911(18) 0.7385(9) 0.8439(8) 0.089(9) Uani 1 1 d . .
C83 C 0.5024(14) 0.7639(7) 0.8272(8) 0.075(7) Uani 1 1 d . .
C84 C 0.5273(12) 0.7968(7) 0.8668(7) 0.071(6) Uani 1 1 d U .
C85 C 0.5944(13) 0.8158(7) 0.8765(7) 0.075(7) Uani 1 1 d U .
C86 C 0.6401(14) 0.8094(7) 0.8491(6) 0.082(8) Uani 1 1 d . .
C87 C 0.6154(16) 0.7759(7) 0.8085(7) 0.071(7) Uani 1 1 d . .
C88 C 0.5454(18) 0.7554(7) 0.7987(6) 0.078(9) Uani 1 1 d . .
C89 C 0.6323(13) 0.7446(7) 0.7401(7) 0.061(6) Uani 1 1 d . .
C90 C 0.725(2) 0.7754(8) 0.7896(7) 0.102(11) Uani 1 1 d . .
C91 C 0.7479(15) 0.7587(8) 0.7541(7) 0.089(8) Uani 1 1 d . .
C92 C 0.694(2) 0.8724(10) 0.9291(8) 0.137(14) Uani 1 1 d . .
C93 C 0.3729(18) 0.8080(9) 0.7900(10) 0.106(11) Uani 1 1 d . .
C94 C 0.315(2) 0.8082(11) 0.8357(9) 0.131(15) Uani 1 1 d . .
C95 C 0.3768(17) 0.8338(8) 0.8579(9) 0.092(9) Uani 1 1 d . .
C96 C 0.4747(14) 0.8557(8) 0.8357(8) 0.076(7) Uani 1 1 d U .
C97 C 0.508(2) 0.8973(9) 0.8771(7) 0.115(14) Uani 1 1 d . .
C98 C 0.577(3) 0.9206(10) 0.8879(8) 0.15(2) Uani 1 1 d . .
C99 C 0.6130(17) 0.9084(7) 0.8612(7) 0.102(11) Uani 1 1 d . .
C100 C 0.5898(15) 0.8706(9) 0.8224(8) 0.085(8) Uani 1 1 d U .
C101 C 0.5186(16) 0.8459(8) 0.8125(7) 0.089(9) Uani 1 1 d . .
C102 C 0.6207(19) 0.8321(7) 0.7555(7) 0.090(10) Uani 1 1 d . .
C103 C 0.708(2) 0.8714(9) 0.8040(9) 0.130(14) Uani 1 1 d . .
C104 C 0.7333(17) 0.8531(8) 0.7714(7) 0.103(11) Uani 1 1 d . .
C105 C 0.569(10) 0.984(6) 0.908(6) 0.74(13) Uiso 1 1 d . .
C106 C 0.3014(17) 0.7942(8) 0.7045(6) 0.088(9) Uani 1 1 d . .
C107 C 0.2006(16) 0.8087(7) 0.7138(8) 0.099(9) Uani 1 1 d . .
C108 C 0.2295(16) 0.8233(9) 0.6918(8) 0.099(9) Uani 1 1 d . .
C109 C 0.3457(17) 0.8306(7) 0.6659(6) 0.068(7) Uani 1 1 d . .
C110 C 0.3200(15) 0.8419(7) 0.6403(6) 0.079(8) Uani 1 1 d . .
C111 C 0.3619(17) 0.8544(7) 0.6213(7) 0.077(8) Uani 1 1 d . .
C112 C 0.433(2) 0.8586(7) 0.6308(6) 0.098(11) Uani 1 1 d . .
C113 C 0.4529(17) 0.8454(6) 0.6556(6) 0.080(8) Uani 1 1 d . .
C114 C 0.4089(16) 0.8322(6) 0.6745(5) 0.060(7) Uani 1 1 d . .
C115 C 0.5560(15) 0.8225(7) 0.6687(5) 0.062(7) Uani 1 1 d . .
C116 C 0.5795(18) 0.8773(8) 0.6616(6) 0.092(10) Uani 1 1 d . .
C117 C 0.6383(16) 0.8667(7) 0.6669(6) 0.083(8) Uani 1 1 d . .
C118 C 0.2861(18) 0.8663(8) 0.5879(7) 0.099(10) Uani 1 1 d . .
C119 C 0.2486(14) 0.7076(7) 0.6166(6) 0.072(7) Uani 1 1 d . .
C120 C 0.1459(15) 0.7158(10) 0.6206(8) 0.100(9) Uani 1 1 d . .
C121 C 0.1732(16) 0.7333(10) 0.5983(8) 0.099(9) Uani 1 1 d . .
C122 C 0.2822(14) 0.7352(6) 0.5707(6) 0.060(6) Uani 1 1 d . .
C123 C 0.2568(13) 0.7430(6) 0.5424(6) 0.064(6) Uani 1 1 d . .
C124 C 0.3001(13) 0.7563(6) 0.5253(6) 0.054(6) Uani 1 1 d . .
C125 C 0.3708(15) 0.7614(6) 0.5317(5) 0.069(7) Uani 1 1 d . .
C126 C 0.3937(12) 0.7520(5) 0.5593(5) 0.049(5) Uani 1 1 d . .
C127 C 0.3539(15) 0.7407(6) 0.5815(5) 0.070(7) Uani 1 1 d . .
C128 C 0.4996(11) 0.7378(6) 0.5798(5) 0.049(5) Uani 1 1 d U .
C129 C 0.5171(12) 0.7903(6) 0.5675(5) 0.057(6) Uani 1 1 d . .
C130 C 0.5788(13) 0.7838(6) 0.5774(5) 0.060(6) Uani 1 1 d . .
C131 C 0.3210(15) 0.7817(8) 0.4779(8) 0.094(9) Uani 1 1 d . .
C132 C 0.2832(12) 0.6275(7) 0.6235(6) 0.061(6) Uani 1 1 d . .
C133 C 0.1741(14) 0.5842(8) 0.6014(8) 0.083(8) Uani 1 1 d . .
C134 C 0.2166(13) 0.5592(8) 0.5825(7) 0.079(7) Uani 1 1 d . .
C135 C 0.3392(13) 0.5736(6) 0.5832(5) 0.059(6) Uani 1 1 d . .
C136 C 0.3420(12) 0.5328(6) 0.5714(6) 0.067(6) Uani 1 1 d . .
C137 C 0.3981(12) 0.5206(6) 0.5564(5) 0.054(5) Uani 1 1 d . .
C138 C 0.4540(13) 0.5476(6) 0.5537(5) 0.064(6) Uani 1 1 d . .
C139 C 0.4482(11) 0.5866(6) 0.5649(5) 0.053(5) Uani 1 1 d . .
C140 C 0.3960(12) 0.6020(6) 0.5800(5) 0.054(6) Uani 1 1 d . .
C141 C 0.5274(11) 0.6561(6) 0.5826(6) 0.052(5) Uani 1 1 d . .
C142 C 0.5416(12) 0.6012(6) 0.5284(5) 0.059(6) Uani 1 1 d . .
C143 C 0.5827(12) 0.6349(6) 0.5343(5) 0.061(6) Uani 1 1 d . .
C144 C 0.3517(13) 0.4532(8) 0.5495(9) 0.096(8) Uani 1 1 d . .
C145 C 0.3475(14) 0.6300(8) 0.6988(6) 0.070(7) Uani 1 1 d . .
C146 C 0.2453(13) 0.5843(8) 0.6843(8) 0.082(7) Uani 1 1 d . .
C147 C 0.2881(13) 0.5622(7) 0.6730(6) 0.061(6) Uani 1 1 d . .
C148 C 0.4126(13) 0.5778(6) 0.6720(5) 0.060(6) Uani 1 1 d . .
C149 C 0.4215(11) 0.5437(5) 0.6748(5) 0.046(5) Uani 1 1 d . .
C150 C 0.4812(14) 0.5340(6) 0.6653(5) 0.062(7) Uani 1 1 d . .
C151 C 0.5351(12) 0.5552(6) 0.6557(5) 0.058(6) Uani 1 1 d . .
C152 C 0.5212(12) 0.5884(6) 0.6523(5) 0.059(6) Uani 1 1 d . .
C153 C 0.4644(11) 0.6021(6) 0.6628(5) 0.054(5) Uani 1 1 d . .
C154 C 0.5899(10) 0.6509(6) 0.6565(5) 0.047(5) Uani 1 1 d . .
C155 C 0.6198(14) 0.5956(7) 0.6166(6) 0.074(7) Uani 1 1 d . .
C156 C 0.6639(12) 0.6273(6) 0.6165(5) 0.061(6) Uani 1 1 d . .
C157 C 0.4429(12) 0.4778(6) 0.6776(6) 0.066(6) Uani 1 1 d . .
C158 C 0.5041(11) 0.2322(5) 0.6062(5) 0.041(5) Uani 1 1 d . .
C159 C 0.4089(12) 0.1907(6) 0.5976(6) 0.060(6) Uani 1 1 d . .
C160 C 0.4541(14) 0.1688(7) 0.5906(6) 0.074(7) Uani 1 1 d . .
C161 C 0.5798(13) 0.1853(6) 0.5917(5) 0.054(6) Uani 1 1 d . .
C162 C 0.5780(13) 0.1439(6) 0.5673(6) 0.069(7) Uani 1 1 d . .
C163 C 0.6418(11) 0.1349(6) 0.5653(6) 0.047(5) Uani 1 1 d . .
C164 C 0.7035(12) 0.1646(7) 0.5837(6) 0.059(6) Uani 1 1 d . .
C165 C 0.6999(11) 0.2045(9) 0.6060(6) 0.066(7) Uani 1 1 d . .
C166 C 0.6414(11) 0.2189(7) 0.6119(5) 0.057(6) Uani 1 1 d . .
C167 C 0.7772(12) 0.2770(8) 0.6380(7) 0.062(6) Uani 1 1 d . .
C168 C 0.8231(13) 0.2322(9) 0.6411(7) 0.073(7) Uani 1 1 d . .
C169 C 0.8652(17) 0.2694(10) 0.6589(7) 0.096(9) Uani 1 1 d . .
C170 C 0.6961(17) 0.0808(9) 0.5359(8) 0.113(11) Uani 1 1 d . .
C171 C 0.5029(11) 0.2760(5) 0.6996(4) 0.042(5) Uani 1 1 d . .
C172 C 0.4070(11) 0.2348(6) 0.6972(5) 0.048(5) Uani 1 1 d . .
C173 C 0.4554(10) 0.2138(6) 0.6938(5) 0.047(5) Uani 1 1 d . .
C174 C 0.5799(9) 0.2326(6) 0.6973(5) 0.040(4) Uani 1 1 d U .
C175 C 0.5809(11) 0.1909(5) 0.6798(5) 0.047(5) Uani 1 1 d . .
C176 C 0.6442(11) 0.1837(5) 0.6814(5) 0.044(5) Uani 1 1 d . .
C177 C 0.7046(11) 0.2159(7) 0.6991(5) 0.057(6) Uani 1 1 d . .
C178 C 0.6990(11) 0.2574(5) 0.7157(5) 0.045(5) Uani 1 1 d . .
C179 C 0.6373(10) 0.2647(6) 0.7140(5) 0.044(5) Uani 1 1 d . .
C180 C 0.7723(10) 0.3262(6) 0.7347(5) 0.049(5) Uani 1 1 d . .
C181 C 0.8189(11) 0.2878(7) 0.7526(6) 0.057(6) Uani 1 1 d . .
C182 C 0.8640(13) 0.3268(9) 0.7670(7) 0.083(8) Uani 1 1 d . .
C183 C 0.7130(11) 0.1385(8) 0.6656(10) 0.098(10) Uani 1 1 d . .
C184 C 0.5011(11) 0.3735(5) 0.7707(5) 0.047(5) Uani 1 1 d . .
C185 C 0.4059(12) 0.3829(7) 0.7831(6) 0.066(6) Uani 1 1 d . .
C186 C 0.4470(10) 0.4091(5) 0.8182(5) 0.049(5) Uani 1 1 d . .
C187 C 0.5734(12) 0.4227(5) 0.8366(6) 0.049(5) Uani 1 1 d . .
C188 C 0.5692(11) 0.4406(6) 0.8781(5) 0.053(5) Uani 1 1 d . .
C189 C 0.6282(10) 0.4621(6) 0.9062(6) 0.052(5) Uani 1 1 d . .
C190 C 0.6933(12) 0.4670(6) 0.8945(6) 0.066(6) Uani 1 1 d . .
C191 C 0.6932(10) 0.4483(6) 0.8510(7) 0.056(6) Uani 1 1 d . .
C192 C 0.6336(11) 0.4267(5) 0.8230(6) 0.045(5) Uani 1 1 d . .
C193 C 0.7697(11) 0.4236(7) 0.8037(5) 0.053(5) Uani 1 1 d . .
C194 C 0.8206(13) 0.4846(7) 0.8599(7) 0.067(7) Uani 1 1 d . .
C195 C 0.8623(12) 0.4742(7) 0.8349(7) 0.071(7) Uani 1 1 d . .
C196 C 0.6839(17) 0.4999(8) 0.9741(7) 0.117(11) Uani 1 1 d . .
C197 C 0.5034(12) 0.4248(5) 0.7267(5) 0.042(5) Uani 1 1 d . .
C198 C 0.4093(10) 0.4404(5) 0.7386(5) 0.045(5) Uani 1 1 d . .
C199 C 0.4548(10) 0.4697(6) 0.7716(6) 0.046(5) Uani 1 1 d . .
C200 C 0.5788(10) 0.4821(6) 0.7888(6) 0.049(5) Uani 1 1 d . .
C201 C 0.5797(11) 0.5068(5) 0.8306(5) 0.050(5) Uani 1 1 d . .
C202 C 0.6453(12) 0.5322(6) 0.8554(6) 0.059(6) Uani 1 1 d . .
C203 C 0.7073(12) 0.5300(6) 0.8412(6) 0.063(6) Uani 1 1 d . .
C204 C 0.7013(10) 0.5063(6) 0.7981(7) 0.054(5) Uani 1 1 d . .
C205 C 0.6398(11) 0.4811(6) 0.7736(5) 0.049(5) Uani 1 1 d . .
C206 C 0.7747(12) 0.4714(7) 0.7505(6) 0.058(6) Uani 1 1 d . .
C207 C 0.8208(12) 0.5391(7) 0.7977(8) 0.077(7) Uani 1 1 d . .
C208 C 0.8667(13) 0.5253(7) 0.7763(8) 0.084(8) Uani 1 1 d . .
C209 C 0.7123(11) 0.5755(8) 0.9213(6) 0.088(9) Uani 1 1 d . .
C210 C 0.5044(12) 0.3963(5) 0.6286(5) 0.045(5) Uani 1 1 d . .
C211 C 0.4073(11) 0.3771(6) 0.5902(5) 0.049(5) Uani 1 1 d . .
C212 C 0.4548(13) 0.3965(6) 0.5779(5) 0.063(6) Uani 1 1 d . .
C213 C 0.5820(12) 0.4327(6) 0.5999(5) 0.049(5) Uani 1 1 d . .
C214 C 0.5801(12) 0.4537(6) 0.5807(6) 0.062(6) Uani 1 1 d . .
C215 C 0.6443(14) 0.4739(8) 0.5753(6) 0.079(7) Uani 1 1 d . .
C216 C 0.7068(12) 0.4740(6) 0.5919(6) 0.061(6) Uani 1 1 d . .
C217 C 0.7032(12) 0.4492(7) 0.6078(7) 0.076(7) Uani 1 1 d . .
C218 C 0.6419(12) 0.4288(6) 0.6135(5) 0.052(5) Uani 1 1 d . .
C219 C 0.7771(13) 0.4419(8) 0.6544(7) 0.073(7) Uani 1 1 d . .
C220 C 0.8277(15) 0.4491(8) 0.6106(9) 0.092(8) Uani 1 1 d . .
C221 C 0.8706(14) 0.4465(9) 0.6320(8) 0.088(8) Uani 1 1 d . .
C222 C 0.7018(14) 0.5143(9) 0.5505(8) 0.093(8) Uani 1 1 d . .
C223 C 0.5094(10) 0.3042(6) 0.5777(5) 0.044(5) Uani 1 1 d U .
C224 C 0.4123(11) 0.2772(5) 0.5348(5) 0.049(5) Uani 1 1 d . .
C225 C 0.4611(11) 0.2953(6) 0.5205(5) 0.051(5) Uani 1 1 d . .
C226 C 0.5869(11) 0.3275(5) 0.5422(5) 0.047(5) Uani 1 1 d . .
C227 C 0.5886(10) 0.3426(6) 0.5162(5) 0.044(5) Uani 1 1 d . .
C228 C 0.6541(14) 0.3571(9) 0.5107(6) 0.089(9) Uani 1 1 d . .
C229 C 0.7124(12) 0.3573(7) 0.5277(6) 0.070(7) Uani 1 1 d . .
C230 C 0.7041(13) 0.3403(6) 0.5525(6) 0.060(6) Uani 1 1 d . .
C231 C 0.6432(11) 0.3263(6) 0.5603(5) 0.048(5) Uani 1 1 d . .
C232 C 0.7762(10) 0.3466(6) 0.6088(6) 0.047(5) Uani 1 1 d . .
C233 C 0.8253(12) 0.3351(8) 0.5528(6) 0.068(6) Uani 1 1 d . .
C234 C 0.8712(12) 0.3374(7) 0.5797(8) 0.078(7) Uani 1 1 d . .
C235 C 0.7219(14) 0.3921(10) 0.4832(7) 0.113(12) Uani 1 1 d . .
C236 C 0.4450(10) 0.6565(5) 0.8458(5) 0.039(5) Uani 1 1 d . .
C237 C 0.3556(11) 0.6293(6) 0.7968(5) 0.054(5) Uani 1 1 d . .
C238 C 0.4143(12) 0.6378(6) 0.7817(5) 0.054(6) Uani 1 1 d . .
C239 C 0.5395(10) 0.6680(5) 0.8108(5) 0.046(5) Uani 1 1 d . .
C240 C 0.5601(13) 0.6473(6) 0.7731(5) 0.056(6) Uani 1 1 d . .
C241 C 0.6255(12) 0.6586(6) 0.7713(6) 0.049(5) Uani 1 1 d . .
C242 C 0.6754(10) 0.6902(6) 0.8029(5) 0.045(5) Uani 1 1 d . .
C243 C 0.6516(11) 0.7099(5) 0.8399(5) 0.047(5) Uani 1 1 d . .
C244 C 0.5851(11) 0.6992(6) 0.8448(5) 0.050(5) Uani 1 1 d . .
C245 C 0.6914(12) 0.7561(7) 0.9143(5) 0.063(6) Uani 1 1 d . .
C246 C 0.7641(11) 0.7672(7) 0.8735(6) 0.057(5) Uani 1 1 d U .
C247 C 0.7898(13) 0.7941(7) 0.9104(6) 0.077(8) Uani 1 1 d . .
C248 C 0.7117(13) 0.6480(7) 0.7269(6) 0.074(7) Uani 1 1 d . .
C249 C 0.5005(11) 0.5809(5) 0.8429(5) 0.037(5) Uani 1 1 d . .
C250 C 0.4218(10) 0.5572(5) 0.7923(5) 0.040(5) Uani 1 1 d . .
C251 C 0.4790(10) 0.5631(5) 0.7791(5) 0.040(5) Uani 1 1 d . .
C252 C 0.6039(11) 0.5903(5) 0.8118(5) 0.043(5) Uani 1 1 d . .
C253 C 0.6259(10) 0.5674(5) 0.7743(5) 0.040(5) Uani 1 1 d . .
C254 C 0.6919(13) 0.5794(6) 0.7743(5) 0.057(6) Uani 1 1 d . .
C255 C 0.7421(12) 0.6130(6) 0.8094(5) 0.062(6) Uani 1 1 d . .
C256 C 0.7141(12) 0.6335(6) 0.8428(6) 0.054(6) Uani 1 1 d . .
C257 C 0.6460(10) 0.6223(5) 0.8459(5) 0.039(5) Uani 1 1 d . .
C258 C 0.7528(11) 0.6855(6) 0.9164(5) 0.057(6) Uani 1 1 d . .
C259 C 0.8230(11) 0.6897(7) 0.8781(6) 0.065(6) Uani 1 1 d . .
C260 C 0.8462(14) 0.7203(7) 0.9142(8) 0.090(8) Uani 1 1 d . .
C261 C 0.6753(15) 0.5336(9) 0.7055(7) 0.118(12) Uani 1 1 d . .
C262 C 0.4787(11) 0.5802(6) 0.9302(5) 0.060(6) Uani 1 1 d . .
C263 C 0.4212(11) 0.5143(6) 0.9000(6) 0.053(5) Uani 1 1 d . .
C264 C 0.4625(11) 0.5189(6) 0.9283(6) 0.053(5) Uani 1 1 d . .
C265 C 0.5548(10) 0.5836(7) 0.9838(5) 0.051(5) Uani 1 1 d . .
C266 C 0.5492(11) 0.5690(7) 1.0100(5) 0.056(6) Uani 1 1 d . .
C267 C 0.6049(11) 0.5889(6) 1.0414(6) 0.051(6) Uani 1 1 d . .
C268 C 0.6610(12) 0.6196(6) 1.0465(5) 0.055(6) Uani 1 1 d . .
C269 C 0.6598(9) 0.6313(6) 1.0184(5) 0.045(5) Uani 1 1 d . .
C270 C 0.6070(10) 0.6138(5) 0.9852(5) 0.044(5) Uani 1 1 d . .
C271 C 0.7214(11) 0.6858(7) 1.0043(5) 0.054(6) Uani 1 1 d . .
C272 C 0.7853(10) 0.6665(8) 1.0358(7) 0.067(6) Uani 1 1 d . .
C273 C 0.8211(18) 0.6959(10) 1.0317(9) 0.116(11) Uani 1 1 d . .
C274 C 0.6553(12) 0.5936(7) 1.1012(6) 0.078(7) Uani 1 1 d . .
C275 C 0.4131(11) 0.6350(5) 1.0049(5) 0.044(5) Uani 1 1 d . .
C276 C 0.3421(11) 0.5758(6) 0.9876(5) 0.051(5) Uani 1 1 d . .
C277 C 0.3891(12) 0.5869(6) 1.0209(5) 0.057(6) Uani 1 1 d . .
C278 C 0.4852(11) 0.6508(5) 1.0666(5) 0.046(5) Uani 1 1 d . .
C279 C 0.4780(9) 0.6483(5) 1.0996(5) 0.038(4) Uani 1 1 d . .
C280 C 0.5294(10) 0.6734(6) 1.1330(5) 0.043(5) Uani 1 1 d U .
C281 C 0.5861(11) 0.6987(5) 1.1334(5) 0.046(5) Uani 1 1 d . .
C282 C 0.5922(10) 0.7005(5) 1.0987(5) 0.043(5) Uani 1 1 d . .
C283 C 0.5412(10) 0.6760(5) 1.0642(5) 0.046(5) Uani 1 1 d . .
C284 C 0.6577(10) 0.7454(7) 1.0746(5) 0.050(5) Uani 1 1 d . .
C285 C 0.7120(12) 0.7386(8) 1.1225(7) 0.075(7) Uani 1 1 d . .
C286 C 0.7566(13) 0.7672(8) 1.1141(7) 0.087(8) Uani 1 1 d . .
C287 C 0.5713(11) 0.6916(6) 1.1989(5) 0.060(6) Uani 1 1 d . .
C288 C 0.3633(11) 0.7037(6) 0.9924(5) 0.047(5) Uani 1 1 d . .
C289 C 0.2502(11) 0.6871(8) 0.9896(6) 0.066(7) Uani 1 1 d . .
C290 C 0.2725(11) 0.7291(6) 1.0110(5) 0.049(5) Uani 1 1 d . .
C291 C 0.3868(12) 0.7820(6) 1.0327(5) 0.050(5) Uani 1 1 d . .
C292 C 0.3557(12) 0.8116(8) 1.0383(6) 0.063(6) Uani 1 1 d . .
C293 C 0.3997(14) 0.8531(7) 1.0581(5) 0.065(7) Uani 1 1 d . .
C294 C 0.4693(11) 0.8605(6) 1.0686(5) 0.049(5) Uani 1 1 d . .
C295 C 0.4942(12) 0.8291(6) 1.0635(5) 0.050(6) Uani 1 1 d . .
C296 C 0.4535(12) 0.7878(6) 1.0444(5) 0.053(6) Uani 1 1 d . .
C297 C 0.6083(12) 0.8147(6) 1.0592(5) 0.053(6) Uani 1 1 d . .
C298 C 0.6052(12) 0.8747(6) 1.1098(5) 0.053(5) Uani 1 1 d . .
C299 C 0.6660(11) 0.8732(6) 1.1111(5) 0.050(5) Uani 1 1 d . .
C300 C 0.3078(15) 0.8792(7) 1.0527(6) 0.079(8) Uani 1 1 d . .
C301 C 0.3744(12) 0.7219(7) 0.9203(6) 0.051(5) Uani 1 1 d . .
C302 C 0.2630(13) 0.7085(8) 0.9134(6) 0.075(7) Uani 1 1 d . .
C303 C 0.2866(12) 0.7519(7) 0.9328(6) 0.061(6) Uani 1 1 d . .
C304 C 0.4057(12) 0.7989(7) 0.9514(6) 0.060(6) Uani 1 1 d U .
C305 C 0.3825(14) 0.8302(8) 0.9524(6) 0.075(8) Uani 1 1 d . .
C306 C 0.4248(17) 0.8686(7) 0.9673(7) 0.075(8) Uani 1 1 d . .
C307 C 0.4921(16) 0.8782(6) 0.9811(6) 0.072(7) Uani 1 1 d . .
C308 C 0.5186(14) 0.8457(8) 0.9806(6) 0.069(7) Uani 1 1 d . .
C309 C 0.4723(11) 0.8051(6) 0.9650(5) 0.051(6) Uani 1 1 d . .
C310 C 0.6278(14) 0.8271(7) 0.9832(6) 0.068(7) Uani 1 1 d . .
C311 C 0.6222(19) 0.8938(7) 1.0262(6) 0.098(11) Uani 1 1 d . .
C312 C 0.6840(17) 0.8866(8) 1.0305(7) 0.097(10) Uani 1 1 d . .
C313 C 0.3339(18) 0.8972(8) 0.9611(10) 0.112(11) Uani 1 1 d . .
O314 O 0.2408(15) 0.3897(9) 0.7464(9) 0.180(11) Uiso 1 1 d . .
C315 C 0.166(5) 0.962(3) 0.199(3) 0.37(5) Uani 1 1 d U .
O316 O 0.200(3) 0.3808(17) 0.7149(16) 0.32(2) Uiso 1 1 d . .
O47 O -0.005(5) 0.624(3) 0.883(3) 0.32(4) Uiso 0.5 1 d . P
C317 C 0.047(3) 0.5273(17) 0.8778(16) 0.22(2) Uani 1 1 d U .
O227 O 0.823(2) 0.9653(13) 0.8296(12) 0.113(13) Uiso 0.5 1 d . P
O228 O -0.020(2) 0.5691(14) 0.9091(13) 0.130(14) Uiso 0.5 1 d . P
O229 O 0.804(3) 0.9583(17) 1.0286(15) 0.167(19) Uiso 0.5 1 d . P
O230 O 0.039(2) 0.7761(16) 0.6262(15) 0.155(17) Uiso 0.5 1 d . P
O231 O 0.955(3) 0.5172(17) 0.9331(15) 0.166(19) Uiso 0.5 1 d . P
O232 O 0.939(3) 0.9842(18) 0.4263(16) 0.18(2) Uiso 0.5 1 d . P
O233 O 0.059(3) 0.376(2) 0.1842(18) 0.20(2) Uiso 0.5 1 d . P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 '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
C315 Ni1 O6 83(4) . .
C315 Ni1 O7 69(4) . .
O6 Ni1 O7 81.5(5) . .
C315 Ni1 O5 13(5) . .
O6 Ni1 O5 82.5(6) . .
O7 Ni1 O5 82.0(6) . .
C315 Ni1 O3 165(4) . .
O6 Ni1 O3 90.7(6) . .
O7 Ni1 O3 96.1(6) . .
O5 Ni1 O3 173.1(7) . .
C315 Ni1 O1 106(4) . .
O6 Ni1 O1 93.2(6) . .
O7 Ni1 O1 172.9(6) . .
O5 Ni1 O1 92.6(6) . .
O3 Ni1 O1 88.7(6) . .
C315 Ni1 O2 92(4) . .
O6 Ni1 O2 174.6(6) . .
O7 Ni1 O2 93.9(6) . .
O5 Ni1 O2 94.0(6) . .
O3 Ni1 O2 92.7(6) . .
O1 Ni1 O2 91.1(6) . .
N21 Ni2 O10 101.4(6) . .
N21 Ni2 O5 94.3(7) . .
O10 Ni2 O5 82.4(6) . .
N21 Ni2 N1 91.7(7) . .
O10 Ni2 N1 96.1(6) . .
O5 Ni2 N1 174.0(7) . .
N21 Ni2 O7 172.6(6) . .
O10 Ni2 O7 80.9(5) . .
O5 Ni2 O7 79.0(6) . .
N1 Ni2 O7 95.1(6) . .
N21 Ni2 C315 115(3) . .
O10 Ni2 C315 83(3) . .
O5 Ni2 C315 21(3) . .
N1 Ni2 C315 153(3) . .
O7 Ni2 C315 58(3) . .
N21 Ni2 O9 91.0(6) . .
O10 Ni2 O9 165.4(6) . .
O5 Ni2 O9 89.1(6) . .
N1 Ni2 O9 91.1(7) . .
O7 Ni2 O9 85.8(6) . .
C315 Ni2 O9 85(3) . .
N5 Ni3 N9 92.7(6) . .
N5 Ni3 O7 96.3(6) . .
N9 Ni3 O7 171.0(5) . .
N5 Ni3 O6 175.0(6) . .
N9 Ni3 O6 92.4(5) . .
O7 Ni3 O6 78.6(5) . .
N5 Ni3 O10 98.0(6) . .
N9 Ni3 O10 97.4(6) . .
O7 Ni3 O10 81.7(5) . .
O6 Ni3 O10 81.6(5) . .
N5 Ni3 O8 89.5(6) . .
N9 Ni3 O8 90.3(6) . .
O7 Ni3 O8 89.4(5) . .
O6 Ni3 O8 90.2(5) . .
O10 Ni3 O8 168.9(5) . .
O10 Ni4 O5 83.1(6) . .
O10 Ni4 O6 81.8(5) . .
O5 Ni4 O6 80.4(6) . .
O10 Ni4 N13 100.2(5) . .
O5 Ni4 N13 172.5(7) . .
O6 Ni4 N13 93.4(6) . .
O10 Ni4 N17 98.0(6) . .
O5 Ni4 N17 92.2(6) . .
O6 Ni4 N17 172.5(5) . .
N13 Ni4 N17 94.0(6) . .
O10 Ni4 O4 167.2(6) . .
O5 Ni4 O4 86.6(6) . .
O6 Ni4 O4 89.1(5) . .
N13 Ni4 O4 89.2(6) . .
N17 Ni4 O4 89.8(6) . .
O10 Ni4 C315 76(3) . .
O5 Ni4 C315 18(3) . .
O6 Ni4 C315 63(3) . .
N13 Ni4 C315 156(3) . .
N17 Ni4 C315 110(3) . .
O4 Ni4 C315 92(3) . .
O11 Ni5 N4 98.7(6) . .
O11 Ni5 O13 83.1(4) . .
N4 Ni5 O13 93.2(5) . .
O11 Ni5 N24 101.1(6) . .
N4 Ni5 N24 89.8(6) . .
O13 Ni5 N24 174.4(7) . .
O11 Ni5 O16 81.7(5) . .
N4 Ni5 O16 173.7(6) . .
O13 Ni5 O16 80.6(5) . .
N24 Ni5 O16 96.2(6) . .
O11 Ni5 O15 167.2(6) . .
N4 Ni5 O15 91.4(6) . .
O13 Ni5 O15 88.5(5) . .
N24 Ni5 O15 86.8(7) . .
O16 Ni5 O15 87.5(5) . .
O14 Ni6 O13 82.6(5) . .
O14 Ni6 O16 81.9(5) . .
O13 Ni6 O16 83.0(5) . .
O14 Ni6 O19 174.2(6) . .
O13 Ni6 O19 95.7(6) . .
O16 Ni6 O19 92.4(6) . .
O14 Ni6 O18 91.6(5) . .
O13 Ni6 O18 173.0(5) . .
O16 Ni6 O18 92.4(6) . .
O19 Ni6 O18 89.7(6) . .
O14 Ni6 O20 97.4(6) . .
O13 Ni6 O20 96.8(6) . .
O16 Ni6 O20 179.3(6) . .
O19 Ni6 O20 88.3(6) . .
O18 Ni6 O20 87.8(6) . .
O14 Ni7 O11 81.7(5) . .
O14 Ni7 N8 174.1(6) . .
O11 Ni7 N8 98.2(5) . .
O14 Ni7 N12 92.5(6) . .
O11 Ni7 N12 97.8(5) . .
N8 Ni7 N12 93.4(6) . .
O14 Ni7 O13 80.1(5) . .
O11 Ni7 O13 81.7(4) . .
N8 Ni7 O13 94.1(5) . .
N12 Ni7 O13 172.6(6) . .
O14 Ni7 O12 92.4(5) . .
O11 Ni7 O12 171.9(5) . .
N8 Ni7 O12 87.1(5) . .
N12 Ni7 O12 88.0(6) . .
O13 Ni7 O12 91.8(5) . .
N16 Ni8 O16 174.9(6) . .
N16 Ni8 N20 93.6(6) . .
O16 Ni8 N20 88.9(6) . .
N16 Ni8 O14 96.8(6) . .
O16 Ni8 O14 80.7(5) . .
N20 Ni8 O14 169.6(6) . .
N16 Ni8 O11 102.1(6) . .
O16 Ni8 O11 82.0(5) . .
N20 Ni8 O11 96.5(6) . .
O14 Ni8 O11 81.9(5) . .
N16 Ni8 O17 87.1(6) . .
O16 Ni8 O17 88.4(5) . .
N20 Ni8 O17 90.5(6) . .
O14 Ni8 O17 89.4(5) . .
O11 Ni8 O17 168.0(5) . .
O29 Ni9 O32 84.3(7) . .
O29 Ni9 O30 82.2(6) . .
O32 Ni9 O30 82.1(7) . .
O29 Ni9 O27 174.8(7) . .
O32 Ni9 O27 92.0(8) . .
O30 Ni9 O27 93.7(7) . .
O29 Ni9 O25 96.4(8) . .
O32 Ni9 O25 177.2(8) . .
O30 Ni9 O25 95.3(8) . .
O27 Ni9 O25 87.2(9) . .
O29 Ni9 O26 94.1(7) . .
O32 Ni9 O26 93.6(8) . .
O30 Ni9 O26 174.6(9) . .
O27 Ni9 O26 89.8(8) . .
O25 Ni9 O26 89.0(9) . .
O34 Ni10 O29 82.4(7) . .
O34 Ni10 N37 100.2(7) . .
O29 Ni10 N37 96.1(7) . .
O34 Ni10 O30 82.5(6) . .
O29 Ni10 O30 79.9(6) . .
N37 Ni10 O30 174.9(7) . .
O34 Ni10 N41 97.6(8) . .
O29 Ni10 N41 173.7(7) . .
N37 Ni10 N41 90.1(7) . .
O30 Ni10 N41 93.8(7) . .
O34 Ni10 O28 171.6(6) . .
O29 Ni10 O28 91.9(7) . .
N37 Ni10 O28 86.4(7) . .
O30 Ni10 O28 90.5(7) . .
N41 Ni10 O28 87.4(9) . .
O32 Ni11 O30 81.1(7) . .
O32 Ni11 O34 82.1(6) . .
O30 Ni11 O34 82.6(6) . .
O32 Ni11 N25 91.9(7) . .
O30 Ni11 N25 173.1(7) . .
O34 Ni11 N25 97.0(7) . .
O32 Ni11 N45 174.8(8) . .
O30 Ni11 N45 94.2(7) . .
O34 Ni11 N45 99.7(6) . .
N25 Ni11 N45 92.7(8) . .
O32 Ni11 O33 87.7(6) . .
O30 Ni11 O33 87.2(7) . .
O34 Ni11 O33 166.5(7) . .
N25 Ni11 O33 92.1(7) . .
N45 Ni11 O33 89.7(6) . .
N33 Ni12 O34 95.9(7) . .
N33 Ni12 N29 94.1(10) . .
O34 Ni12 N29 100.0(8) . .
N33 Ni12 O32 171.5(9) . .
O34 Ni12 O32 82.0(6) . .
N29 Ni12 O32 94.4(8) . .
N33 Ni12 O31 92.0(8) . .
O34 Ni12 O31 167.1(9) . .
N29 Ni12 O31 89.6(10) . .
O32 Ni12 O31 88.7(7) . .
N33 Ni12 O29 91.8(8) . .
O34 Ni12 O29 81.0(7) . .
N29 Ni12 O29 173.9(8) . .
O32 Ni12 O29 79.8(6) . .
O31 Ni12 O29 88.6(8) . .
O39 Ni13 O40 81.1(5) . .
O39 Ni13 O35 81.5(6) . .
O40 Ni13 O35 81.3(5) . .
O39 Ni13 N40 174.6(6) . .
O40 Ni13 N40 93.5(6) . .
O35 Ni13 N40 98.0(6) . .
O39 Ni13 N44 92.5(6) . .
O40 Ni13 N44 173.4(6) . .
O35 Ni13 N44 96.2(5) . .
N40 Ni13 N44 92.9(7) . .
O39 Ni13 O41 93.6(5) . .
O40 Ni13 O41 92.5(5) . .
O35 Ni13 O41 172.6(6) . .
N40 Ni13 O41 86.4(6) . .
N44 Ni13 O41 89.6(6) . .
N48 Ni14 O35 101.1(6) . .
N48 Ni14 O37 174.2(7) . .
O35 Ni14 O37 83.5(5) . .
N48 Ni14 O39 96.8(6) . .
O35 Ni14 O39 81.5(5) . .
O37 Ni14 O39 80.3(5) . .
N48 Ni14 N28 91.6(7) . .
O35 Ni14 N28 95.0(7) . .
O37 Ni14 N28 91.5(6) . .
O39 Ni14 N28 171.4(6) . .
N48 Ni14 O36 87.2(7) . .
O35 Ni14 O36 169.3(6) . .
O37 Ni14 O36 87.9(6) . .
O39 Ni14 O36 90.8(5) . .
N28 Ni14 O36 91.5(7) . .
O37 Ni15 O39 81.6(6) . .
O37 Ni15 O40 82.8(5) . .
O39 Ni15 O40 80.6(5) . .
O37 Ni15 O42 177.8(7) . .
O39 Ni15 O42 97.9(6) . .
O40 Ni15 O42 95.0(6) . .
O37 Ni15 O43 93.7(6) . .
O39 Ni15 O43 174.4(7) . .
O40 Ni15 O43 95.9(7) . .
O42 Ni15 O43 86.7(7) . .
O37 Ni15 O44 92.3(6) . .
O39 Ni15 O44 96.0(6) . .
O40 Ni15 O44 174.4(6) . .
O42 Ni15 O44 89.9(7) . .
O43 Ni15 O44 87.1(8) . .
O40 Ni16 N36 92.0(6) . .
O40 Ni16 O35 82.2(5) . .
N36 Ni16 O35 99.1(7) . .
O40 Ni16 N32 174.9(9) . .
N36 Ni16 N32 91.7(8) . .
O35 Ni16 N32 100.6(7) . .
O40 Ni16 O37 80.9(5) . .
N36 Ni16 O37 172.7(6) . .
O35 Ni16 O37 81.7(6) . .
N32 Ni16 O37 95.3(7) . .
O40 Ni16 O38 90.1(6) . .
N36 Ni16 O38 92.7(8) . .
O35 Ni16 O38 166.1(7) . .
N32 Ni16 O38 86.3(8) . .
O37 Ni16 O38 85.6(6) . .
O55 Ni17 O56 83.3(5) . .
O55 Ni17 O58 83.0(5) . .
O56 Ni17 O58 82.6(5) . .
O55 Ni17 O52 97.3(6) . .
O56 Ni17 O52 173.9(5) . .
O58 Ni17 O52 91.5(5) . .
O55 Ni17 O53 89.7(5) . .
O56 Ni17 O53 95.5(5) . .
O58 Ni17 O53 172.6(5) . .
O52 Ni17 O53 90.5(6) . .
O55 Ni17 O51 173.8(6) . .
O56 Ni17 O51 90.5(5) . .
O58 Ni17 O51 96.1(5) . .
O52 Ni17 O51 88.9(6) . .
O53 Ni17 O51 91.1(6) . .
N69 Ni18 O58 171.6(5) . .
N69 Ni18 O60 97.7(5) . .
O58 Ni18 O60 81.8(4) . .
N69 Ni18 N49 94.3(5) . .
O58 Ni18 N49 94.1(5) . .
O60 Ni18 N49 100.0(5) . .
N69 Ni18 O56 90.9(5) . .
O58 Ni18 O56 80.7(5) . .
O60 Ni18 O56 81.6(4) . .
N49 Ni18 O56 174.2(6) . .
N69 Ni18 O59 91.3(5) . .
O58 Ni18 O59 88.0(5) . .
O60 Ni18 O59 167.5(5) . .
N49 Ni18 O59 87.9(5) . .
O56 Ni18 O59 89.6(5) . .
O60 Ni19 N53 96.6(5) . .
O60 Ni19 O55 82.5(4) . .
N53 Ni19 O55 170.9(5) . .
O60 Ni19 O58 81.1(5) . .
N53 Ni19 O58 90.5(5) . .
O55 Ni19 O58 80.5(5) . .
O60 Ni19 N57 100.0(5) . .
N53 Ni19 N57 93.5(6) . .
O55 Ni19 N57 95.6(5) . .
O58 Ni19 N57 175.7(5) . .
O60 Ni19 O57 167.0(5) . .
N53 Ni19 O57 93.0(5) . .
O55 Ni19 O57 86.7(5) . .
O58 Ni19 O57 90.0(5) . .
N57 Ni19 O57 88.1(5) . .
O60 Ni20 N61 97.6(5) . .
O60 Ni20 O56 83.0(5) . .
N61 Ni20 O56 171.3(5) . .
O60 Ni20 O55 81.4(4) . .
N61 Ni20 O55 92.4(5) . .
O56 Ni20 O55 79.1(5) . .
O60 Ni20 N65 101.1(5) . .
N61 Ni20 N65 94.1(6) . .
O56 Ni20 N65 94.3(5) . .
O55 Ni20 N65 172.6(6) . .
O60 Ni20 O54 166.2(5) . .
N61 Ni20 O54 91.1(5) . .
O56 Ni20 O54 86.7(5) . .
O55 Ni20 O54 87.7(5) . .
N65 Ni20 O54 88.9(6) . .
O63 Ni21 O61 82.5(5) . .
O63 Ni21 O64 80.3(6) . .
O61 Ni21 O64 82.4(5) . .
O63 Ni21 N72 172.2(7) . .
O61 Ni21 N72 94.7(7) . .
O64 Ni21 N72 92.1(7) . .
O63 Ni21 N52 97.1(7) . .
O61 Ni21 N52 101.4(6) . .
O64 Ni21 N52 175.1(6) . .
N72 Ni21 N52 90.6(8) . .
O63 Ni21 O62 90.7(6) . .
O61 Ni21 O62 168.7(7) . .
O64 Ni21 O62 87.5(6) . .
N72 Ni21 O62 90.8(7) . .
N52 Ni21 O62 88.4(7) . .
N64 Ni22 O64 172.3(6) . .
N64 Ni22 N68 90.7(7) . .
O64 Ni22 N68 96.8(7) . .
N64 Ni22 O61 95.2(6) . .
O64 Ni22 O61 82.6(6) . .
N68 Ni22 O61 98.9(7) . .
N64 Ni22 O65 91.9(6) . .
O64 Ni22 O65 80.5(6) . .
N68 Ni22 O65 177.1(7) . .
O61 Ni22 O65 82.1(5) . .
N64 Ni22 O66 91.5(7) . .
O64 Ni22 O66 89.8(6) . .
N68 Ni22 O66 88.8(7) . .
O61 Ni22 O66 169.8(6) . .
O65 Ni22 O66 90.0(6) . .
N56 Ni23 O65 173.0(6) . .
N56 Ni23 O63 91.7(6) . .
O65 Ni23 O63 81.3(6) . .
N56 Ni23 N60 91.0(7) . .
O65 Ni23 N60 95.9(6) . .
O63 Ni23 N60 174.6(6) . .
N56 Ni23 O61 96.7(6) . .
O65 Ni23 O61 83.3(6) . .
O63 Ni23 O61 81.9(5) . .
N60 Ni23 O61 102.4(6) . .
N56 Ni23 O69 90.2(7) . .
O65 Ni23 O69 88.6(6) . .
O63 Ni23 O69 87.5(5) . .
N60 Ni23 O69 87.9(6) . .
O61 Ni23 O69 167.5(5) . .
O63 Ni24 O65 84.4(6) . .
O63 Ni24 O70 90.1(7) . .
O65 Ni24 O70 93.0(7) . .
O63 Ni24 O64 82.7(6) . .
O65 Ni24 O64 82.5(6) . .
O70 Ni24 O64 171.8(7) . .
O63 Ni24 O67 176.8(7) . .
O65 Ni24 O67 92.4(7) . .
O70 Ni24 O67 90.2(8) . .
O64 Ni24 O67 96.8(6) . .
O63 Ni24 O68 95.7(6) . .
O65 Ni24 O68 175.3(7) . .
O70 Ni24 O68 91.7(8) . .
O64 Ni24 O68 92.9(6) . .
O67 Ni24 O68 87.4(7) . .
O88 Ni25 O85 82.3(5) . .
O88 Ni25 O86 83.4(5) . .
O85 Ni25 O86 82.2(5) . .
O88 Ni25 O81 94.1(6) . .
O85 Ni25 O81 175.6(6) . .
O86 Ni25 O81 94.8(5) . .
O88 Ni25 O83 175.2(6) . .
O85 Ni25 O83 93.7(5) . .
O86 Ni25 O83 93.4(5) . .
O81 Ni25 O83 89.7(6) . .
O88 Ni25 O82 97.1(6) . .
O85 Ni25 O82 93.2(5) . .
O86 Ni25 O82 175.2(6) . .
O81 Ni25 O82 89.9(6) . .
O83 Ni25 O82 85.7(6) . .
N81 Ni26 O86 173.1(5) . .
N81 Ni26 N77 94.0(6) . .
O86 Ni26 N77 92.9(5) . .
N81 Ni26 O90 97.5(5) . .
O86 Ni26 O90 81.8(4) . .
N77 Ni26 O90 98.4(5) . .
N81 Ni26 O85 92.1(5) . .
O86 Ni26 O85 81.0(5) . .
N77 Ni26 O85 173.8(5) . .
O90 Ni26 O85 81.6(5) . .
N81 Ni26 O84 88.8(6) . .
O86 Ni26 O84 91.3(5) . .
N77 Ni26 O84 86.6(5) . .
O90 Ni26 O84 171.7(5) . .
O85 Ni26 O84 92.7(5) . .
N85 Ni27 O90 101.3(5) . .
N85 Ni27 O88 175.0(6) . .
O90 Ni27 O88 82.6(5) . .
N85 Ni27 O85 97.5(5) . .
O90 Ni27 O85 82.4(4) . .
O88 Ni27 O85 79.9(5) . .
N85 Ni27 N89 92.1(6) . .
O90 Ni27 N89 96.2(6) . .
O88 Ni27 N89 90.5(5) . .
O85 Ni27 N89 170.4(5) . .
N85 Ni27 O87 88.4(6) . .
O90 Ni27 O87 166.8(5) . .
O88 Ni27 O87 87.3(5) . .
O85 Ni27 O87 87.6(5) . .
N89 Ni27 O87 92.3(6) . .
N73 Ni28 O90 100.5(6) . .
N73 Ni28 O86 90.6(5) . .
O90 Ni28 O86 81.8(4) . .
N73 Ni28 O88 170.1(5) . .
O90 Ni28 O88 81.7(5) . .
O86 Ni28 O88 80.1(5) . .
N73 Ni28 N93 92.4(6) . .
O90 Ni28 N93 101.0(5) . .
O86 Ni28 N93 175.4(6) . .
O88 Ni28 N93 96.7(6) . .
N73 Ni28 O89 91.3(6) . .
O90 Ni28 O89 165.5(5) . .
O86 Ni28 O89 89.8(5) . .
O88 Ni28 O89 85.3(5) . .
N93 Ni28 O89 86.8(6) . .
O94 Ni29 N84 92.6(5) . .
O94 Ni29 N80 172.9(6) . .
N84 Ni29 N80 93.6(6) . .
O94 Ni29 O93 80.0(5) . .
N84 Ni29 O93 172.6(6) . .
N80 Ni29 O93 93.7(6) . .
O94 Ni29 O91 82.0(5) . .
N84 Ni29 O91 96.1(6) . .
N80 Ni29 O91 100.6(6) . .
O93 Ni29 O91 83.2(5) . .
O94 Ni29 O92 86.2(5) . .
N84 Ni29 O92 90.9(6) . .
N80 Ni29 O92 90.4(6) . .
O93 Ni29 O92 88.4(6) . .
O91 Ni29 O92 166.6(5) . .
N96 Ni30 O96 94.4(6) . .
N96 Ni30 N76 93.9(7) . .
O96 Ni30 N76 171.6(7) . .
N96 Ni30 O91 99.5(6) . .
O96 Ni30 O91 82.0(5) . .
N76 Ni30 O91 97.7(6) . .
N96 Ni30 O93 173.3(6) . .
O96 Ni30 O93 79.2(5) . .
N76 Ni30 O93 92.5(6) . .
O91 Ni30 O93 81.7(5) . .
N96 Ni30 O95 90.5(7) . .
O96 Ni30 O95 87.3(5) . .
N76 Ni30 O95 91.6(6) . .
O91 Ni30 O95 165.9(6) . .
O93 Ni30 O95 87.2(6) . .
O91 Ni31 O96 83.3(5) . .
O91 Ni31 N88 99.4(5) . .
O96 Ni31 N88 173.1(6) . .
O91 Ni31 N92 98.7(5) . .
O96 Ni31 N92 93.7(6) . .
N88 Ni31 N92 92.2(6) . .
O91 Ni31 O94 81.9(5) . .
O96 Ni31 O94 81.0(5) . .
N88 Ni31 O94 93.1(6) . .
N92 Ni31 O94 174.5(6) . .
O91 Ni31 O97 166.9(6) . .
O96 Ni31 O97 87.4(5) . .
N88 Ni31 O97 88.9(6) . .
N92 Ni31 O97 90.9(5) . .
O94 Ni31 O97 87.7(5) . .
O96 Ni32 O93 82.9(5) . .
O96 Ni32 O94 83.9(5) . .
O93 Ni32 O94 80.7(5) . .
O96 Ni32 O99 175.9(6) . .
O93 Ni32 O99 97.2(6) . .
O94 Ni32 O99 92.1(6) . .
O96 Ni32 O100 90.6(5) . .
O93 Ni32 O100 172.4(6) . .
O94 Ni32 O100 94.8(5) . .
O99 Ni32 O100 89.0(6) . .
O96 Ni32 O98 94.0(6) . .
O93 Ni32 O98 95.3(5) . .
O94 Ni32 O98 175.7(5) . .
O99 Ni32 O98 90.0(7) . .
O100 Ni32 O98 88.9(6) . .
O114 S1 O199 164(3) . 2_666
O114 S1 O116 108.1(10) . .
O199 S1 O116 72(3) 2_666 .
O114 S1 O113 110.8(9) . .
O199 S1 O113 83(3) 2_666 .
O116 S1 O113 112.4(10) . .
O114 S1 O115 106.3(9) . .
O199 S1 O115 61(3) 2_666 .
O116 S1 O115 109.9(9) . .
O113 S1 O115 109.1(9) . .
O119 S2 O118 109(2) . .
O119 S2 O117 107.3(13) . .
O118 S2 O117 104.4(13) . .
O119 S2 O120 119.4(16) . .
O118 S2 O120 103.8(15) . .
O117 S2 O120 112.2(10) . .
O122 S3 O123 47(2) . .
O122 S3 O126 151(3) . .
O123 S3 O126 144(3) . .
O122 S3 O125 151(2) . .
O123 S3 O125 131(3) . .
O126 S3 O125 53(2) . .
O122 S3 O121 60(2) . .
O123 S3 O121 106.0(14) . .
O126 S3 O121 103(2) . .
O125 S3 O121 109.8(15) . .
O122 S3 O127 103(2) . .
O123 S3 O127 85(3) . .
O126 S3 O127 63(2) . .
O125 S3 O127 105.2(16) . .
O121 S3 O127 118.7(14) . .
O122 S3 O124 104(2) . .
O123 S3 O124 80(3) . .
O126 S3 O124 105(2) . .
O125 S3 O124 54.5(16) . .
O121 S3 O124 117.5(14) . .
O127 S3 O124 123.8(15) . .
O122 S3 O159 134(3) . 2_666
O123 S3 O159 158(4) . 2_666
O126 S3 O159 50(3) . 2_666
O125 S3 O159 34(3) . 2_666
O121 S3 O159 78(3) . 2_666
O127 S3 O159 113(3) . 2_666
O124 S3 O159 79(3) . 2_666
O130 S4 O133 153(2) . .
O130 S4 O132 114(2) . .
O133 S4 O132 59.9(17) . .
O130 S4 O129 55.8(18) . .
O133 S4 O129 113.9(18) . .
O132 S4 O129 148.8(17) . .
O130 S4 O128 99.5(18) . .
O133 S4 O128 107.1(16) . .
O132 S4 O128 102.3(15) . .
O129 S4 O128 108.4(13) . .
O130 S4 O131 56.6(17) . .
O133 S4 O131 109.9(15) . .
O132 S4 O131 58.0(15) . .
O129 S4 O131 103.0(14) . .
O128 S4 O131 114.6(13) . .
O130 S4 O134 113.1(19) . .
O133 S4 O134 53.6(15) . .
O132 S4 O134 108.7(16) . .
O129 S4 O134 60.6(14) . .
O128 S4 O134 118.4(12) . .
O131 S4 O134 127.0(14) . .
O80 S5 O81 111.3(18) . .
O80 S5 O79 113(2) . .
O81 S5 O79 110(2) . .
O100 S6 O97 119.2(10) . .
O100 S6 O102 104.0(12) . .
O97 S6 O102 107.7(12) . .
O100 S6 O101 113(3) . .
O97 S6 O101 88(3) . .
O102 S6 O101 125(3) . .
O72 S7 O69 112.6(14) . .
O72 S7 O71 103.8(17) . .
O69 S7 O71 109.6(14) . .
O72 S7 O70 117.8(15) . .
O69 S7 O70 111.2(10) . .
O71 S7 O70 100.5(13) . .
O137 S8 O135 112.8(12) . .
O137 S8 O138 109.2(13) . .
O135 S8 O138 109.0(13) . .
O137 S8 O136 111.0(13) . .
O135 S8 O136 108.6(9) . .
O138 S8 O136 106.1(10) . .
O139 S9 O142 112.9(12) . .
O139 S9 O141 107.3(15) . .
O142 S9 O141 110.5(15) . .
O139 S9 O140 108.8(12) . .
O142 S9 O140 109.4(14) . .
O141 S9 O140 107.8(16) . .
O143 S10 O144 108.0(10) . .
O143 S10 O146 113.3(11) . .
O144 S10 O146 108.0(12) . .
O143 S10 O145 111.6(9) . .
O144 S10 O145 109.6(11) . .
O146 S10 O145 106.3(9) . .
O147 S11 O150 106(2) . .
O147 S11 O148 134(2) . .
O150 S11 O148 108(2) . .
C315 O5 Ni1 26(9) . .
C315 O5 Ni4 101(9) . .
Ni1 O5 Ni4 97.7(7) . .
C315 O5 Ni2 73(9) . .
Ni1 O5 Ni2 98.7(7) . .
Ni4 O5 Ni2 96.3(7) . .
Ni1 O6 Ni4 98.4(5) . .
Ni1 O6 Ni3 99.2(6) . .
Ni4 O6 Ni3 97.5(6) . .
Ni1 O7 Ni3 99.4(6) . .
Ni1 O7 Ni2 99.3(5) . .
Ni3 O7 Ni2 97.6(6) . .
Ni4 O10 Ni2 96.6(5) . .
Ni4 O10 Ni3 97.9(5) . .
Ni2 O10 Ni3 98.1(5) . .
Ni5 O11 Ni8 98.2(5) . .
Ni5 O11 Ni7 97.9(4) . .
Ni8 O11 Ni7 97.4(5) . .
Ni6 O13 Ni5 98.1(5) . .
Ni6 O13 Ni7 97.6(5) . .
Ni5 O13 Ni7 95.9(5) . .
Ni6 O14 Ni8 98.1(5) . .
Ni6 O14 Ni7 98.8(5) . .
Ni8 O14 Ni7 97.6(5) . .
Ni6 O16 Ni8 98.3(5) . .
Ni6 O16 Ni5 97.5(6) . .
Ni8 O16 Ni5 97.0(6) . .
C6 O21 C13 119.2(17) . .
C19 O22 C26 113.3(18) . .
C32 O23 C39 116.6(16) . .
C45 O24 C52 114.9(18) . .
Ni9 O29 Ni10 99.4(7) . .
Ni9 O29 Ni12 96.7(7) . .
Ni10 O29 Ni12 95.9(7) . .
Ni9 O30 Ni11 97.5(8) . .
Ni9 O30 Ni10 97.9(7) . .
Ni11 O30 Ni10 96.4(8) . .
Ni9 O32 Ni11 98.5(7) . .
Ni9 O32 Ni12 98.0(6) . .
Ni11 O32 Ni12 96.9(6) . .
Ni12 O34 Ni10 99.5(7) . .
Ni12 O34 Ni11 97.5(5) . .
Ni10 O34 Ni11 97.0(7) . .
Ni14 O35 Ni16 97.9(6) . .
Ni14 O35 Ni13 97.6(6) . .
Ni16 O35 Ni13 97.0(5) . .
Ni15 O37 Ni14 99.4(6) . .
Ni15 O37 Ni16 96.9(5) . .
Ni14 O37 Ni16 95.6(6) . .
Ni13 O39 Ni15 98.9(5) . .
Ni13 O39 Ni14 98.1(6) . .
Ni15 O39 Ni14 97.9(5) . .
Ni16 O40 Ni15 98.2(5) . .
Ni16 O40 Ni13 98.2(6) . .
Ni15 O40 Ni13 98.1(5) . .
C85 O45 C92 116(2) . .
C98 O46 C105 102(8) . .
C111 O226 C118 111(2) . .
C124 O48 C131 124(2) . .
C137 O49 C144 117.8(17) . .
C150 O50 C157 117.2(18) . .
Ni17 O55 Ni19 99.1(5) . .
Ni17 O55 Ni20 98.4(5) . .
Ni19 O55 Ni20 95.8(5) . .
Ni17 O56 Ni20 98.6(5) . .
Ni17 O56 Ni18 97.2(5) . .
Ni20 O56 Ni18 95.4(5) . .
Ni18 O58 Ni17 98.7(5) . .
Ni18 O58 Ni19 97.6(5) . .
Ni17 O58 Ni19 96.5(5) . .
Ni19 O60 Ni20 98.7(5) . .
Ni19 O60 Ni18 98.2(5) . .
Ni20 O60 Ni18 98.3(5) . .
Ni21 O61 Ni22 96.1(5) . .
Ni21 O61 Ni23 96.6(5) . .
Ni22 O61 Ni23 96.0(6) . .
Ni24 O63 Ni23 96.5(6) . .
Ni24 O63 Ni21 99.6(6) . .
Ni23 O63 Ni21 98.0(6) . .
Ni22 O64 Ni24 98.1(6) . .
Ni22 O64 Ni21 97.6(6) . .
Ni24 O64 Ni21 96.6(6) . .
Ni24 O65 Ni23 96.4(6) . .
Ni24 O65 Ni22 98.2(6) . .
Ni23 O65 Ni22 97.7(6) . .
S7 O69 Ni23 130.4(9) . .
S7 O70 Ni24 128.3(12) . .
C163 O73 C170 118(2) . .
C176 O74 C183 116.4(17) . .
C189 O75 C196 117.7(18) . .
C202 O76 C209 115.9(18) . .
C215 O77 C222 113.2(19) . .
C228 O78 C235 112.7(18) . .
S5 O81 Ni25 132.9(10) . .
C317 O82 Ni25 134(2) . .
Ni25 O85 Ni27 97.9(5) . .
Ni25 O85 Ni26 97.7(5) . .
Ni27 O85 Ni26 96.8(5) . .
Ni25 O86 Ni26 98.3(5) . .
Ni25 O86 Ni28 97.5(5) . .
Ni26 O86 Ni28 97.2(5) . .
Ni25 O88 Ni27 99.2(5) . .
Ni25 O88 Ni28 98.0(5) . .
Ni27 O88 Ni28 95.8(5) . .
Ni28 O90 Ni27 98.5(5) . .
Ni28 O90 Ni26 97.8(5) . .
Ni27 O90 Ni26 97.9(5) . .
Ni31 O91 Ni30 96.7(5) . .
Ni31 O91 Ni29 97.5(5) . .
Ni30 O91 Ni29 97.0(5) . .
Ni32 O93 Ni29 98.7(6) . .
Ni32 O93 Ni30 96.9(6) . .
Ni29 O93 Ni30 96.5(5) . .
Ni29 O94 Ni32 100.0(5) . .
Ni29 O94 Ni31 97.6(5) . .
Ni32 O94 Ni31 95.9(6) . .
Ni32 O96 Ni30 100.2(6) . .
Ni32 O96 Ni31 97.7(5) . .
Ni30 O96 Ni31 96.7(5) . .
S6 O97 Ni31 125.9(8) . .
S6 O100 Ni32 121.2(9) . .
O103 O102 S6 145.0(17) . .
O106 O103 O105 107(2) . .
O106 O103 O104 109(3) . .
O105 O103 O104 112.7(19) . .
O106 O103 O102 106(2) . .
O105 O103 O102 118.5(19) . .
O104 O103 O102 103(2) . .
C241 O107 C248 118.1(15) . .
C261 O108 C254 112.5(19) . .
C267 O109 C274 119.0(18) . .
C287 O110 C280 116.6(16) . .
C293 O111 C300 120.9(19) . .
C306 O112 C313 122(2) . .
O199 O115 S1 58(3) 2_666 .
S1 O116 O199 55(3) . 2_666
S3 O121 O122 55(2) . .
O123 O122 S3 59(3) . .
O123 O122 O121 124(5) . .
S3 O122 O121 65(2) . .
O122 O123 S3 74(3) . .
O122 O123 O124 107(4) . .
S3 O123 O124 59.4(18) . .
O125 O124 S3 58.3(17) . .
O125 O124 O123 98(2) . .
S3 O124 O123 40.9(15) . .
O159 O125 O126 68(6) 2_666 .
O159 O125 O124 121(6) 2_666 .
O126 O125 O124 122(4) . .
O159 O125 S3 79(6) 2_666 .
O126 O125 S3 58(3) . .
O124 O125 S3 67.1(18) . .
O125 O126 O159 42(4) . 2_666
O125 O126 S3 69(3) . .
O159 O126 S3 75(5) 2_666 .
O125 O126 O127 119(4) . .
O159 O126 O127 140(6) 2_666 .
S3 O126 O127 65(2) . .
O126 O127 S3 52(2) . .
O130 O129 S4 59(2) . .
O130 O129 O134 118(3) . .
S4 O129 O134 62.8(14) . .
O129 O130 S4 65(2) . .
O129 O130 O131 120(3) . .
S4 O130 O131 68(2) . .
O130 O131 O132 112(2) . .
O130 O131 S4 55.3(18) . .
O132 O131 S4 56.8(15) . .
O133 O132 S4 57.8(18) . .
O133 O132 O131 114(3) . .
S4 O132 O131 65.2(17) . .
O134 O133 S4 70.1(17) . .
O134 O133 O132 125(3) . .
S4 O133 O132 62.3(17) . .
O133 O134 O129 113(2) . .
O133 O134 S4 56.3(15) . .
O129 O134 S4 56.6(13) . .
O125 O159 O126 70(6) 2_666 2_666
O125 O159 S3 67(5) 2_666 2_666
O126 O159 S3 56(4) 2_666 2_666
O164 O165 O166 131(3) . .
O177 O176 O175 113(3) . .
O182 O181 O180 131(2) . .
O183 O182 O181 77.2(17) . .
O184 O183 O182 110(2) . .
S1 O199 O115 61(3) 2_666 2_666
S1 O199 O116 54(3) 2_666 2_666
O115 O199 O116 98(5) 2_666 2_666
O227 O219 O198 141(5) . 1_665
C58 O224 C65 114.4(17) . .
C71 O225 C78 120(2) . .
C1 N1 C2 108.5(17) . .
C1 N1 Ni2 129.5(13) . .
C2 N1 Ni2 121.9(17) . .
C1 N2 C4 123.4(18) . .
C1 N2 C3 110.4(17) . .
C4 N2 C3 125.8(16) . .
C10 N3 C11 108.5(19) . .
C10 N3 C8 128.2(16) . .
C11 N3 C8 122.9(18) . .
C10 N4 C12 107.8(16) . .
C10 N4 Ni5 131.0(12) . .
C12 N4 Ni5 121.2(15) . .
C14 N5 C15 99.9(17) . .
C14 N5 Ni3 132.9(14) . .
C15 N5 Ni3 127.2(16) . .
C14 N6 C16 108.7(16) . .
C14 N6 C17 124.3(17) . .
C16 N6 C17 126.9(16) . .
C25 N7 C23 106.7(18) . .
C25 N7 C21 127.8(16) . .
C23 N7 C21 125.4(15) . .
C23 N8 C24 109.5(16) . .
C23 N8 Ni7 128.1(12) . .
C24 N8 Ni7 122.4(14) . .
C27 N9 C28 102.7(16) . .
C27 N9 Ni3 131.5(12) . .
C28 N9 Ni3 125.7(15) . .
C27 N10 C29 107.2(17) . .
C27 N10 C30 126.8(16) . .
C29 N10 C30 125.9(16) . .
C37 N11 C36 107.8(16) . .
C37 N11 C34 128.4(15) . .
C36 N11 C34 123.8(15) . .
C36 N12 C38 108.5(16) . .
C36 N12 Ni7 126.2(13) . .
C38 N12 Ni7 124.9(14) . .
C40 N13 C41 109.8(17) . .
C40 N13 Ni4 127.6(13) . .
C41 N13 Ni4 121.6(14) . .
C42 N14 C43 127.6(18) . .
C42 N14 C40 109.4(19) . .
C43 N14 C40 123.0(19) . .
C49 N15 C47 127.8(17) . .
C49 N15 C50 105.4(17) . .
C47 N15 C50 126.5(14) . .
C49 N16 C51 107.7(15) . .
C49 N16 Ni8 126.8(14) . .
C51 N16 Ni8 125.1(12) . .
C53 N17 C54 109.4(19) . .
C53 N17 Ni4 129.6(15) . .
C54 N17 Ni4 120.9(16) . .
C55 N18 C53 106.9(17) . .
C55 N18 C56 123.5(17) . .
C53 N18 C56 129.3(15) . .
C62 N19 C63 107.4(19) . .
C62 N19 C60 128(2) . .
C63 N19 C60 124.7(19) . .
C64 N20 C62 107.5(17) . .
C64 N20 Ni8 122.9(16) . .
C62 N20 Ni8 129.1(14) . .
C66 N21 C67 105.1(19) . .
C66 N21 Ni2 130.7(14) . .
C67 N21 Ni2 124.2(17) . .
C68 N22 C66 112(2) . .
C68 N22 C69 125(2) . .
C66 N22 C69 123.1(18) . .
C76 N23 C75 111.3(17) . .
C76 N23 C73 126.9(17) . .
C75 N23 C73 121.8(19) . .
C77 N24 C75 111(2) . .
C77 N24 Ni5 121.0(18) . .
C75 N24 Ni5 126.7(14) . .
C80 N25 C81 108(2) . .
C80 N25 Ni11 131.4(18) . .
C81 N25 Ni11 121(2) . .
C83 N26 C82 131(2) . .
C83 N26 C80 128(2) . .
C82 N26 C80 101(2) . .
C87 N27 C89 133(3) . .
C87 N27 C90 118(2) . .
C89 N27 C90 108(2) . .
C89 N28 C91 113(2) . .
C89 N28 Ni14 130.0(18) . .
C91 N28 Ni14 116.2(18) . .
C93 N29 C94 100(3) . .
C93 N29 Ni12 134(2) . .
C94 N29 Ni12 126(3) . .
C96 N30 C93 128(3) . .
C96 N30 C95 123(3) . .
C93 N30 C95 109(3) . .
C103 N31 C102 110(3) . .
C103 N31 C100 129(3) . .
C102 N31 C100 121(3) . .
C102 N32 C104 110(2) . .
C102 N32 Ni16 127.6(19) . .
C104 N32 Ni16 120(2) . .
C106 N33 C107 109(2) . .
C106 N33 Ni12 129.6(19) . .
C107 N33 Ni12 120.7(19) . .
C106 N34 C109 129(2) . .
C106 N34 C108 101(2) . .
C109 N34 C108 129.3(19) . .
C116 N35 C115 106(2) . .
C116 N35 C113 126(2) . .
C115 N35 C113 128(2) . .
C115 N36 C117 108(2) . .
C115 N36 Ni16 130.0(16) . .
C117 N36 Ni16 122(2) . .
C119 N37 C120 108.5(19) . .
C119 N37 Ni10 130.4(17) . .
C120 N37 Ni10 121.0(17) . .
C119 N38 C121 110.5(19) . .
C119 N38 C122 127(2) . .
C121 N38 C122 122(2) . .
C126 N39 C128 129.1(16) . .
C126 N39 C129 126.4(16) . .
C128 N39 C129 104.4(18) . .
C128 N40 C130 109.8(18) . .
C128 N40 Ni13 128.6(14) . .
C130 N40 Ni13 121.6(16) . .
C132 N41 C133 111(2) . .
C132 N41 Ni10 127.6(18) . .
C133 N41 Ni10 121(2) . .
C135 N42 C134 126(2) . .
C135 N42 C132 124(2) . .
C134 N42 C132 109.4(19) . .
C142 N43 C141 106.8(16) . .
C142 N43 C139 127.3(16) . .
C141 N43 C139 125.9(17) . .
C141 N44 C143 107.8(17) . .
C141 N44 Ni13 127.3(14) . .
C143 N44 Ni13 124.6(15) . .
C145 N45 C146 108.8(19) . .
C145 N45 Ni11 127.4(17) . .
C146 N45 Ni11 123.7(16) . .
C147 N46 C148 128.3(19) . .
C147 N46 C145 111(2) . .
C148 N46 C145 121(2) . .
C154 N47 C155 106.5(18) . .
C154 N47 C152 124.2(17) . .
C155 N47 C152 129.2(18) . .
C154 N48 C156 107.5(16) . .
C154 N48 Ni14 128.4(14) . .
C156 N48 Ni14 123.3(15) . .
C158 N49 C159 106.5(16) . .
C158 N49 Ni18 130.7(12) . .
C159 N49 Ni18 121.8(14) . .
C158 N50 C160 104.5(18) . .
C158 N50 C161 129.1(18) . .
C160 N50 C161 126.5(18) . .
C167 N51 C168 105(2) . .
C167 N51 C165 129(2) . .
C168 N51 C165 126(2) . .
C167 N52 C169 105(2) . .
C167 N52 Ni21 129.1(15) . .
C169 N52 Ni21 125.5(19) . .
C171 N53 C172 108.7(15) . .
C171 N53 Ni19 127.1(12) . .
C172 N53 Ni19 123.7(13) . .
C173 N54 C174 126.7(15) . .
C173 N54 C171 108.8(15) . .
C174 N54 C171 124.5(16) . .
C181 N55 C180 112.3(17) . .
C181 N55 C178 125.6(18) . .
C180 N55 C178 122.2(16) . .
C180 N56 C182 104.2(18) . .
C180 N56 Ni23 129.3(13) . .
C182 N56 Ni23 125.3(16) . .
C184 N57 C185 105.1(16) . .
C184 N57 Ni19 132.2(12) . .
C185 N57 Ni19 121.8(14) . .
C184 N58 C186 106.6(16) . .
C184 N58 C187 125.6(16) . .
C186 N58 C187 127.6(14) . .
C193 N59 C191 123.2(18) . .
C193 N59 C194 105.8(18) . .
C191 N59 C194 130.9(19) . .
C193 N60 C195 105.5(17) . .
C193 N60 Ni23 127.6(13) . .
C195 N60 Ni23 125.7(15) . .
C197 N61 C198 106.9(14) . .
C197 N61 Ni20 127.6(11) . .
C198 N61 Ni20 125.0(13) . .
C200 N62 C197 128.1(17) . .
C200 N62 C199 128.2(15) . .
C197 N62 C199 103.6(16) . .
C204 N63 C206 125.9(19) . .
C204 N63 C207 125.4(19) . .
C206 N63 C207 108(2) . .
C206 N64 C208 104.8(19) . .
C206 N64 Ni22 132.2(15) . .
C208 N64 Ni22 122.3(16) . .
C210 N65 C211 110.2(15) . .
C210 N65 Ni20 128.1(12) . .
C211 N65 Ni20 120.9(14) . .
C212 N66 C210 103.6(18) . .
C212 N66 C213 128.4(17) . .
C210 N66 C213 128.0(17) . .
C219 N67 C220 103(2) . .
C219 N67 C217 128(2) . .
C220 N67 C217 129(2) . .
C219 N68 C221 106(2) . .
C219 N68 Ni22 127.5(14) . .
C221 N68 Ni22 123.7(19) . .
C224 N69 C223 105.5(15) . .
C224 N69 Ni18 126.3(14) . .
C223 N69 Ni18 128.0(11) . .
C223 N70 C225 110.7(16) . .
C223 N70 C226 121.8(16) . .
C225 N70 C226 127.4(16) . .
C233 N71 C232 115.8(17) . .
C233 N71 C230 124.1(18) . .
C232 N71 C230 120.1(17) . .
C232 N72 C234 109.2(18) . .
C232 N72 Ni21 127.6(13) . .
C234 N72 Ni21 123.0(18) . .
C236 N73 C237 106.4(15) . .
C236 N73 Ni28 129.4(12) . .
C237 N73 Ni28 124.1(15) . .
C236 N74 C238 109.0(18) . .
C236 N74 C239 123.7(16) . .
C238 N74 C239 126.9(16) . .
C246 N75 C243 129.2(16) . .
C246 N75 C245 109.6(17) . .
C243 N75 C245 120.6(19) . .
C245 N76 C247 110.5(17) . .
C245 N76 Ni30 126.0(15) . .
C247 N76 Ni30 123.5(14) . .
C249 N77 C250 106.3(14) . .
C249 N77 Ni26 129.0(10) . .
C250 N77 Ni26 124.5(13) . .
C252 N78 C249 127.4(15) . .
C252 N78 C251 129.9(15) . .
C249 N78 C251 102.7(16) . .
C258 N79 C259 105.5(16) . .
C258 N79 C256 127.6(18) . .
C259 N79 C256 126.9(17) . .
C258 N80 C260 103.6(16) . .
C258 N80 Ni29 130.9(14) . .
C260 N80 Ni29 125.4(16) . .
C262 N81 C263 103.8(16) . .
C262 N81 Ni26 127.9(13) . .
C263 N81 Ni26 127.9(14) . .
C264 N82 C262 109.4(16) . .
C264 N82 C265 129.5(17) . .
C262 N82 C265 120.8(17) . .
C272 N83 C271 109.2(18) . .
C272 N83 C269 124.8(18) . .
C271 N83 C269 125.8(17) . .
C271 N84 C273 101.5(19) . .
C271 N84 Ni29 132.4(14) . .
C273 N84 Ni29 125.9(17) . .
C275 N85 C276 106.8(15) . .
C275 N85 Ni27 129.1(13) . .
C276 N85 Ni27 123.7(13) . .
C275 N86 C277 106.1(15) . .
C275 N86 C278 128.9(17) . .
C277 N86 C278 125.0(16) . .
C285 N87 C284 112.0(17) . .
C285 N87 C282 122.1(16) . .
C284 N87 C282 125.3(16) . .
C284 N88 C286 108.4(16) . .
C284 N88 Ni31 128.9(13) . .
C286 N88 Ni31 122.2(15) . .
C288 N89 C289 110.3(17) . .
C288 N89 Ni27 127.2(13) . .
C289 N89 Ni27 122.1(15) . .
C290 N90 C288 108.8(16) . .
C290 N90 C291 127.5(17) . .
C288 N90 C291 123.7(18) . .
C298 N91 C297 105.8(17) . .
C298 N91 C295 128.1(16) . .
C297 N91 C295 126.1(16) . .
C297 N92 C299 105.0(15) . .
C297 N92 Ni31 127.7(12) . .
C299 N92 Ni31 127.3(13) . .
C301 N93 C302 111.2(19) . .
C301 N93 Ni28 126.7(14) . .
C302 N93 Ni28 121.0(16) . .
C303 N94 C301 110.1(18) . .
C303 N94 C304 127.3(18) . .
C301 N94 C304 122(2) . .
C308 N95 C311 124(2) . .
C308 N95 C310 129.7(19) . .
C311 N95 C310 106(2) . .
C310 N96 C312 100(2) . .
C310 N96 Ni30 131.7(16) . .
C312 N96 Ni30 128.1(19) . .
N2 C1 N1 108.0(17) . .
C3 C2 N1 108(2) . .
C2 C3 N2 104.8(19) . .
C9 C4 C5 123.4(19) . .
C9 C4 N2 121.7(16) . .
C5 C4 N2 115(2) . .
C4 C5 C6 115(2) . .
C7 C6 O21 117(2) . .
C7 C6 C5 121(2) . .
O21 C6 C5 122(2) . .
C8 C7 C6 120(2) . .
C7 C8 C9 124(2) . .
C7 C8 N3 117.6(19) . .
C9 C8 N3 118.5(18) . .
C4 C9 C8 117.5(19) . .
N4 C10 N3 111.0(16) . .
N3 C11 C12 106(2) . .
C11 C12 N4 106.3(18) . .
N5 C14 N6 111.3(18) . .
C16 C15 N5 112(2) . .
C15 C16 N6 107(2) . .
C22 C17 C18 125.1(19) . .
C22 C17 N6 121.6(16) . .
C18 C17 N6 113.2(19) . .
C17 C18 C19 114(2) . .
C20 C19 O22 122(2) . .
C20 C19 C18 125.2(19) . .
O22 C19 C18 112(2) . .
C19 C20 C21 112(2) . .
C22 C21 C20 127(2) . .
C22 C21 N7 120.4(17) . .
C20 C21 N7 112.6(18) . .
C21 C22 C17 116.6(18) . .
N8 C23 N7 108.8(17) . .
C25 C24 N8 106.8(17) . .
C24 C25 N7 108.2(17) . .
O200 C27 N10 133(4) 2_666 .
O200 C27 N9 113(4) 2_666 .
N10 C27 N9 113.6(16) . .
C29 C28 N9 114(2) . .
C28 C29 N10 101.9(19) . .
C35 C30 N10 121.8(16) . .
C35 C30 C31 122.3(19) . .
N10 C30 C31 115.8(17) . .
C32 C31 C30 113.8(19) . .
C33 C32 O23 115.1(18) . .
C33 C32 C31 125.4(17) . .
O23 C32 C31 119.5(18) . .
C32 C33 C34 117.3(19) . .
C35 C34 N11 120.9(17) . .
C35 C34 C33 122(2) . .
N11 C34 C33 117.2(19) . .
C34 C35 C30 119.4(18) . .
N12 C36 N11 107.5(16) . .
N11 C37 C38 107.3(15) . .
C37 C38 N12 108.5(17) . .
N13 C40 N14 108(2) . .
N13 C41 C42 106.2(19) . .
N14 C42 C41 107.0(19) . .
N14 C43 C48 122.8(17) . .
N14 C43 C44 117.6(18) . .
C48 C43 C44 119.6(19) . .
C45 C44 C43 117.2(18) . .
C44 C45 O24 121.5(18) . .
C44 C45 C46 122.5(17) . .
O24 C45 C46 115.4(18) . .
C47 C46 C45 121.6(19) . .
C46 C47 N15 122.5(18) . .
C46 C47 C48 120.2(19) . .
N15 C47 C48 117.0(15) . .
C43 C48 C47 118.5(18) . .
N16 C49 N15 113.6(17) . .
N15 C50 C51 103.9(15) . .
N16 C51 C50 108.8(16) . .
N17 C53 N18 109.5(17) . .
N17 C54 C55 106(2) . .
N18 C55 C54 107.5(18) . .
C57 C56 N18 119.6(18) . .
C57 C56 C61 123(2) . .
N18 C56 C61 117.0(17) . .
C56 C57 C58 117.9(19) . .
C59 C58 O224 125(2) . .
C59 C58 C57 120.9(18) . .
O224 C58 C57 114(2) . .
C58 C59 C60 120(2) . .
C61 C60 N19 117.8(16) . .
C61 C60 C59 121.4(18) . .
N19 C60 C59 120.7(19) . .
C60 C61 C56 116.2(17) . .
N19 C62 N20 110.2(19) . .
N19 C63 C64 105.6(18) . .
N20 C64 C63 109(2) . .
N21 C66 N22 109.1(19) . .
C68 C67 N21 111(2) . .
N22 C68 C67 103(2) . .
N22 C69 C74 124.3(19) . .
N22 C69 C70 115(2) . .
C74 C69 C70 121(3) . .
C71 C70 C69 115(2) . .
C70 C71 C72 128(2) . .
C70 C71 O225 117(2) . .
C72 C71 O225 115(3) . .
C71 C72 C73 112(2) . .
C74 C73 C72 126.2(19) . .
C74 C73 N23 120.1(18) . .
C72 C73 N23 114(2) . .
C73 C74 C69 117.8(19) . .
N24 C75 N23 106.1(19) . .
N23 C76 C77 103.2(17) . .
N24 C77 C76 108(2) . .
N25 C80 N26 113(2) . .
C82 C81 N25 107(2) . .
C81 C82 N26 111(2) . .
N26 C83 C88 124(2) . .
N26 C83 C84 116(2) . .
C88 C83 C84 120(2) . .
C85 C84 C83 117(2) . .
C84 C85 C86 125(2) . .
C84 C85 O45 115(2) . .
C86 C85 O45 118(2) . .
C85 C86 C87 117(3) . .
N27 C87 C88 117(2) . .
N27 C87 C86 127(3) . .
C88 C87 C86 117(3) . .
C83 C88 C87 123(2) . .
N28 C89 N27 109(2) . .
C91 C90 N27 106(3) . .
C90 C91 N28 104(3) . .
N29 C93 N30 116(3) . .
C95 C94 N29 113(3) . .
C94 C95 N30 102(3) . .
N30 C96 C101 125(3) . .
N30 C96 C97 124(3) . .
C101 C96 C97 111(3) . .
C98 C97 C96 125(3) . .
O46 C98 C99 128(5) . .
O46 C98 C97 115(5) . .
C99 C98 C97 116(3) . .
C98 C99 C100 124(3) . .
C99 C100 C101 119(3) . .
C99 C100 N31 118(3) . .
C101 C100 N31 123(2) . .
C96 C101 C100 124(3) . .
N32 C102 N31 105(3) . .
N31 C103 C104 109(2) . .
C103 C104 N32 105(3) . .
N33 C106 N34 113(3) . .
C108 C107 N33 103(3) . .
C107 C108 N34 113(2) . .
C114 C109 C110 127(3) . .
C114 C109 N34 118(2) . .
C110 C109 N34 115(3) . .
C111 C110 C109 119(3) . .
C110 C111 O226 134(3) . .
C110 C111 C112 117(2) . .
O226 C111 C112 109(3) . .
C113 C112 C111 120(3) . .
C114 C113 C112 122(3) . .
C114 C113 N35 121(2) . .
C112 C113 N35 117(3) . .
C109 C114 C113 115(2) . .
N36 C115 N35 112(2) . .
C117 C116 N35 106(2) . .
C116 C117 N36 108(3) . .
N37 C119 N38 109(2) . .
C121 C120 N37 108(2) . .
N38 C121 C120 102(2) . .
C123 C122 C127 124(2) . .
C123 C122 N38 120(2) . .
C127 C122 N38 116.4(18) . .
C124 C123 C122 118(2) . .
C123 C124 O48 119(2) . .
C123 C124 C125 125(2) . .
O48 C124 C125 117(2) . .
C126 C125 C124 116(2) . .
C127 C126 C125 125(2) . .
C127 C126 N39 117(2) . .
C125 C126 N39 118(2) . .
C126 C127 C122 113(2) . .
N40 C128 N39 112.0(18) . .
C130 C129 N39 104.6(18) . .
N40 C130 C129 109(2) . .
N41 C132 N42 105(2) . .
C134 C133 N41 107(2) . .
N42 C134 C133 107(2) . .
N42 C135 C136 120(2) . .
N42 C135 C140 119.6(19) . .
C136 C135 C140 120(2) . .
C137 C136 C135 119(2) . .
O49 C137 C136 124.1(19) . .
O49 C137 C138 113.5(19) . .
C136 C137 C138 122.1(19) . .
C139 C138 C137 117(2) . .
C140 C139 C138 127(2) . .
C140 C139 N43 117.0(18) . .
C138 C139 N43 116(2) . .
C139 C140 C135 115.5(18) . .
N44 C141 N43 108.9(18) . .
C143 C142 N43 105.6(17) . .
C142 C143 N44 110.7(18) . .
N45 C145 N46 104(2) . .
C147 C146 N45 109(2) . .
C146 C147 N46 108(2) . .
N46 C148 C149 118(2) . .
N46 C148 C153 119.6(19) . .
C149 C148 C153 123(2) . .
C150 C149 C148 115.2(19) . .
C149 C150 O50 120(2) . .
C149 C150 C151 127.1(18) . .
O50 C150 C151 113(2) . .
C150 C151 C152 114(2) . .
C153 C152 N47 119.9(19) . .
C153 C152 C151 124(2) . .
N47 C152 C151 116(2) . .
C152 C153 C148 116.6(19) . .
N48 C154 N47 111.4(17) . .
C156 C155 N47 109.9(18) . .
C155 C156 N48 104.6(19) . .
N49 C158 N50 112.5(17) . .
C160 C159 N49 110(2) . .
C159 C160 N50 107(2) . .
C162 C161 N50 118(2) . .
C162 C161 C166 125(2) . .
N50 C161 C166 117.6(17) . .
C161 C162 C163 116(2) . .
O73 C163 C164 123.3(18) . .
O73 C163 C162 112.7(19) . .
C164 C163 C162 123.8(18) . .
C163 C164 C165 115(2) . .
C164 C165 C166 128(2) . .
C164 C165 N51 118(2) . .
C166 C165 N51 114(2) . .
C165 C166 C161 112(2) . .
N52 C167 N51 112.8(19) . .
C169 C168 N51 104(2) . .
C168 C169 N52 113(3) . .
N53 C171 N54 106.9(15) . .
N53 C172 C173 109.9(18) . .
N54 C173 C172 105.6(17) . .
C179 C174 N54 121.0(17) . .
C179 C174 C175 123.0(18) . .
N54 C174 C175 116.0(17) . .
C176 C175 C174 117.0(18) . .
O74 C176 C177 119.8(19) . .
O74 C176 C175 118.2(17) . .
C177 C176 C175 122.0(17) . .
C176 C177 C178 117.4(18) . .
C179 C178 C177 121.1(19) . .
C179 C178 N55 123.7(17) . .
C177 C178 N55 115.2(18) . .
C178 C179 C174 119.4(18) . .
N56 C180 N55 108.9(16) . .
N55 C181 C182 103.0(19) . .
C181 C182 N56 112(2) . .
N57 C184 N58 111.6(18) . .
C186 C185 N57 113(2) . .
C185 C186 N58 103.3(17) . .
C192 C187 C188 123(2) . .
C192 C187 N58 120.5(16) . .
C188 C187 N58 116.3(18) . .
C189 C188 C187 119(2) . .
O75 C189 C188 117.8(17) . .
O75 C189 C190 120.8(18) . .
C188 C189 C190 121.4(18) . .
C189 C190 C191 115.9(19) . .
C192 C191 N59 121.2(19) . .
C192 C191 C190 122.2(19) . .
N59 C191 C190 116.6(19) . .
C187 C192 C191 118.2(19) . .
N60 C193 N59 109.8(18) . .
C195 C194 N59 105(2) . .
C194 C195 N60 113(2) . .
N61 C197 N62 111.0(15) . .
N61 C198 C199 111.9(17) . .
C198 C199 N62 106.7(16) . .
N62 C200 C205 122.0(18) . .
N62 C200 C201 117.8(17) . .
C205 C200 C201 120.3(19) . .
C200 C201 C202 116.8(18) . .
O76 C202 C203 120(2) . .
O76 C202 C201 116(2) . .
C203 C202 C201 123.5(19) . .
C202 C203 C204 115.1(19) . .
C205 C204 N63 122(2) . .
C205 C204 C203 121.7(19) . .
N63 C204 C203 115.5(19) . .
C204 C205 C200 121.2(19) . .
N64 C206 N63 110(2) . .
C208 C207 N63 106(2) . .
C207 C208 N64 110(2) . .
N65 C210 N66 110.4(17) . .
C212 C211 N65 105.9(19) . .
C211 C212 N66 109.7(18) . .
C214 C213 C218 123(2) . .
C214 C213 N66 117(2) . .
C218 C213 N66 119.3(18) . .
C213 C214 C215 118(2) . .
O77 C215 C216 125(2) . .
O77 C215 C214 114(2) . .
C216 C215 C214 121(2) . .
C217 C216 C215 116(2) . .
C216 C217 C218 124(2) . .
C216 C217 N67 119(2) . .
C218 C217 N67 117(2) . .
C213 C218 C217 117(2) . .
N68 C219 N67 110.8(19) . .
C221 C220 N67 111(3) . .
C220 C221 N68 109(2) . .
N70 C223 N69 107.0(15) . .
N69 C224 C225 110.4(19) . .
N70 C225 C224 106.1(17) . .
C231 C226 C227 124(2) . .
C231 C226 N70 120.4(17) . .
C227 C226 N70 115.8(18) . .
C228 C227 C226 114.2(19) . .
C229 C228 C227 126(2) . .
C229 C228 O78 121(2) . .
C227 C228 O78 113(2) . .
C228 C229 C230 115(2) . .
C231 C230 C229 124(2) . .
C231 C230 N71 122.4(18) . .
C229 C230 N71 114(2) . .
C230 C231 C226 118(2) . .
N72 C232 N71 102.9(16) . .
C234 C233 N71 104.3(18) . .
C233 C234 N72 108(2) . .
N74 C236 N73 108.6(15) . .
N73 C237 C238 108.7(18) . .
N74 C238 C237 106.9(17) . .
C244 C239 C240 121.9(19) . .
C244 C239 N74 120.5(16) . .
C240 C239 N74 117.6(17) . .
C241 C240 C239 117.6(19) . .
C240 C241 C242 125.7(17) . .
C240 C241 O107 113.3(18) . .
C242 C241 O107 120.8(18) . .
C241 C242 C243 114.0(17) . .
C244 C243 C242 124.1(17) . .
C244 C243 N75 121.1(17) . .
C242 C243 N75 114.8(18) . .
C243 C244 C239 116.6(17) . .
N76 C245 N75 102.2(18) . .
C247 C246 N75 106.9(18) . .
C246 C247 N76 111(2) . .
N77 C249 N78 112.2(15) . .
C251 C250 N77 110.4(17) . .
C250 C251 N78 108.4(16) . .
C257 C252 N78 120.8(16) . .
C257 C252 C253 124.3(19) . .
N78 C252 C253 114.8(16) . .
C254 C253 C252 115.4(17) . .
C253 C254 O108 122.9(18) . .
C253 C254 C255 125.1(17) . .
O108 C254 C255 112(2) . .
C256 C255 C254 114(2) . .
C255 C256 C257 125(2) . .
C255 C256 N79 116(2) . .
C257 C256 N79 119.0(17) . .
C252 C257 C256 116.2(17) . .
N80 C258 N79 112.1(18) . .
C260 C259 N79 108(2) . .
C259 C260 N80 110(2) . .
N81 C262 N82 106.6(17) . .
C264 C263 N81 114.9(18) . .
C263 C264 N82 105.1(17) . .
C270 C265 C266 128.1(19) . .
C270 C265 N82 118.7(16) . .
C266 C265 N82 113(2) . .
C265 C266 C267 113(2) . .
O109 C267 C268 120.7(19) . .
O109 C267 C266 114.3(19) . .
C268 C267 C266 125.0(17) . .
C269 C268 C267 116.0(19) . .
C268 C269 C270 125.0(19) . .
C268 C269 N83 118.3(17) . .
C270 C269 N83 116.4(17) . .
C265 C270 C269 112.9(17) . .
N84 C271 N83 110.9(17) . .
C273 C272 N83 103(2) . .
C272 C273 N84 115(3) . .
N85 C275 N86 113.5(16) . .
C277 C276 N85 107.6(17) . .
C276 C277 N86 105.6(15) . .
C279 C278 C283 123.2(18) . .
C279 C278 N86 119.3(18) . .
C283 C278 N86 117.5(17) . .
C278 C279 C280 118.0(17) . .
C281 C280 C279 123.2(16) . .
C281 C280 O110 121.6(16) . .
C279 C280 O110 115.2(16) . .
C280 C281 C282 117.5(17) . .
C281 C282 C283 121.5(18) . .
C281 C282 N87 119.0(16) . .
C283 C282 N87 119.3(16) . .
C278 C283 C282 116.6(17) . .
N88 C284 N87 107.8(15) . .
N87 C285 C286 103.1(19) . .
N88 C286 C285 109(2) . .
N89 C288 N90 105.9(17) . .
C290 C289 N89 107.1(19) . .
C289 C290 N90 107.9(17) . .
C296 C291 C292 127(2) . .
C296 C291 N90 118.1(18) . .
C292 C291 N90 115(2) . .
C291 C292 C293 115(2) . .
O111 C293 C294 119(2) . .
O111 C293 C292 121(2) . .
C294 C293 C292 120(2) . .
C295 C294 C293 119(2) . .
C294 C295 C296 123(2) . .
C294 C295 N91 116.1(18) . .
C296 C295 N91 120.9(17) . .
C291 C296 C295 115(2) . .
N92 C297 N91 108.8(15) . .
C299 C298 N91 109.6(18) . .
C298 C299 N92 110.5(17) . .
N93 C301 N94 107.0(19) . .
N93 C302 C303 108(2) . .
N94 C303 C302 104(2) . .
C309 C304 C305 122(2) . .
C309 C304 N94 121(2) . .
C305 C304 N94 117(2) . .
C306 C305 C304 121(2) . .
C307 C306 O112 115(3) . .
C307 C306 C305 122(2) . .
O112 C306 C305 122(3) . .
C306 C307 C308 118(2) . .
N95 C308 C309 120(2) . .
N95 C308 C307 121(2) . .
C309 C308 C307 119(2) . .
C304 C309 C308 118(2) . .
N96 C310 N95 115(2) . .
C312 C311 N95 102(2) . .
C311 C312 N96 117(2) . .
O5 C315 Ni1 141(10) . .
O5 C315 Ni2 86(9) . .
Ni1 C315 Ni2 133(7) . .
O5 C315 Ni4 60(8) . .
Ni1 C315 Ni4 109(6) . .
Ni2 C315 Ni4 91(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 C315 1.40(10) .
Ni1 O6 2.000(13) .
Ni1 O7 2.002(13) .
Ni1 O5 2.035(18) .
Ni1 O3 2.109(16) .
Ni1 O1 2.117(14) .
Ni1 O2 2.113(13) .
Ni2 N21 2.055(18) .
Ni2 O10 2.066(12) .
Ni2 O5 2.073(15) .
Ni2 N1 2.075(17) .
Ni2 O7 2.089(13) .
Ni2 C315 1.99(11) .
Ni2 O9 2.155(16) .
Ni3 N5 2.036(15) .
Ni3 N9 2.058(16) .
Ni3 O7 2.057(13) .
Ni3 O6 2.065(13) .
Ni3 O10 2.065(13) .
Ni3 O8 2.121(14) .
Ni4 O10 2.055(12) .
Ni4 O5 2.056(16) .
Ni4 O6 2.068(14) .
Ni4 N13 2.065(16) .
Ni4 N17 2.076(18) .
Ni4 O4 2.175(15) .
Ni4 C315 2.32(10) .
Ni5 O11 2.035(10) .
Ni5 N4 2.061(16) .
Ni5 O13 2.083(12) .
Ni5 N24 2.094(19) .
Ni5 O16 2.100(14) .
Ni5 O15 2.154(13) .
Ni6 O14 2.025(13) .
Ni6 O13 2.042(13) .
Ni6 O16 2.041(14) .
Ni6 O19 2.115(14) .
Ni6 O18 2.119(16) .
Ni6 O20 2.142(15) .
Ni7 O14 2.077(13) .
Ni7 O11 2.078(11) .
Ni7 N8 2.082(15) .
Ni7 N12 2.094(16) .
Ni7 O13 2.095(11) .
Ni7 O12 2.136(12) .
Ni8 N16 2.049(14) .
Ni8 O16 2.048(12) .
Ni8 N20 2.057(16) .
Ni8 O14 2.071(12) .
Ni8 O11 2.074(12) .
Ni8 O17 2.141(14) .
Ni9 O29 2.017(15) .
Ni9 O32 2.032(18) .
Ni9 O30 2.041(15) .
Ni9 O27 2.086(16) .
Ni9 O25 2.10(2) .
Ni9 O26 2.102(17) .
Ni10 O34 2.059(16) .
Ni10 O29 2.066(16) .
Ni10 N37 2.075(18) .
Ni10 O30 2.087(15) .
Ni10 N41 2.10(2) .
Ni10 O28 2.177(19) .
Ni11 O32 2.047(14) .
Ni11 O30 2.068(18) .
Ni11 O34 2.077(13) .
Ni11 N25 2.07(2) .
Ni11 N45 2.076(19) .
Ni11 O33 2.184(15) .
Ni12 N33 2.02(2) .
Ni12 O34 2.037(14) .
Ni12 N29 2.03(3) .
Ni12 O32 2.090(15) .
Ni12 O31 2.129(16) .
Ni12 O29 2.15(2) .
Ni13 O39 2.043(13) .
Ni13 O40 2.067(13) .
Ni13 O35 2.073(12) .
Ni13 N40 2.082(17) .
Ni13 N44 2.107(17) .
Ni13 O41 2.126(13) .
Ni14 N48 2.032(17) .
Ni14 O35 2.051(14) .
Ni14 O37 2.068(14) .
Ni14 O39 2.066(13) .
Ni14 N28 2.14(2) .
Ni14 O36 2.171(17) .
Ni15 O37 2.017(14) .
Ni15 O39 2.063(14) .
Ni15 O40 2.065(15) .
Ni15 O42 2.089(18) .
Ni15 O43 2.114(16) .
Ni15 O44 2.147(18) .
Ni16 O40 2.036(13) .
Ni16 N36 2.06(2) .
Ni16 O35 2.066(12) .
Ni16 N32 2.12(2) .
Ni16 O37 2.125(14) .
Ni16 O38 2.141(16) .
Ni17 O55 1.990(12) .
Ni17 O56 2.015(13) .
Ni17 O58 2.048(11) .
Ni17 O52 2.107(13) .
Ni17 O53 2.118(13) .
Ni17 O51 2.123(13) .
Ni18 N69 2.038(15) .
Ni18 O58 2.031(12) .
Ni18 O60 2.059(11) .
Ni18 N49 2.103(15) .
Ni18 O56 2.110(12) .
Ni18 O59 2.137(12) .
Ni19 O60 2.036(10) .
Ni19 N53 2.045(14) .
Ni19 O55 2.060(12) .
Ni19 O58 2.082(11) .
Ni19 N57 2.086(15) .
Ni19 O57 2.165(12) .
Ni20 O60 2.036(11) .
Ni20 N61 2.042(14) .
Ni20 O56 2.076(12) .
Ni20 O55 2.106(11) .
Ni20 N65 2.100(15) .
Ni20 O54 2.170(12) .
Ni21 O63 2.065(13) .
Ni21 O61 2.066(13) .
Ni21 O64 2.077(15) .
Ni21 N72 2.086(19) .
Ni21 N52 2.091(18) .
Ni21 O62 2.153(15) .
Ni22 N64 2.001(19) .
Ni22 O64 2.039(13) .
Ni22 N68 2.068(19) .
Ni22 O61 2.098(14) .
Ni22 O65 2.099(14) .
Ni22 O66 2.157(16) .
Ni23 N56 2.019(17) .
Ni23 O65 2.045(14) .
Ni23 O63 2.056(14) .
Ni23 N60 2.062(16) .
Ni23 O61 2.100(13) .
Ni23 O69 2.186(14) .
Ni24 O63 1.980(15) .
Ni24 O65 1.997(14) .
Ni24 O70 2.045(18) .
Ni24 O64 2.061(15) .
Ni24 O67 2.079(16) .
Ni24 O68 2.112(15) .
Ni25 O88 2.005(12) .
Ni25 O85 2.036(12) .
Ni25 O86 2.050(13) .
Ni25 O81 2.115(13) .
Ni25 O83 2.119(13) .
Ni25 O82 2.139(14) .
Ni26 N81 2.041(16) .
Ni26 O86 2.051(12) .
Ni26 N77 2.064(14) .
Ni26 O90 2.074(11) .
Ni26 O85 2.084(12) .
Ni26 O84 2.116(12) .
Ni27 N85 2.045(15) .
Ni27 O90 2.049(12) .
Ni27 O88 2.066(12) .
Ni27 O85 2.074(12) .
Ni27 N89 2.081(15) .
Ni27 O87 2.142(14) .
Ni28 N73 2.037(16) .
Ni28 O90 2.041(11) .
Ni28 O86 2.084(12) .
Ni28 O88 2.111(12) .
Ni28 N93 2.106(16) .
Ni28 O89 2.192(13) .
Ni29 O94 2.025(11) .
Ni29 N84 2.043(16) .
Ni29 N80 2.053(15) .
Ni29 O93 2.064(13) .
Ni29 O91 2.087(13) .
Ni29 O92 2.155(14) .
Ni30 N96 1.99(2) .
Ni30 O96 2.056(12) .
Ni30 N76 2.064(16) .
Ni30 O91 2.086(12) .
Ni30 O93 2.128(15) .
Ni30 O95 2.192(14) .
Ni31 O91 2.029(11) .
Ni31 O96 2.060(12) .
Ni31 N88 2.055(15) .
Ni31 N92 2.089(15) .
Ni31 O94 2.089(13) .
Ni31 O97 2.163(12) .
Ni32 O96 2.001(14) .
Ni32 O93 2.029(13) .
Ni32 O94 2.030(12) .
Ni32 O99 2.085(17) .
Ni32 O100 2.091(13) .
Ni32 O98 2.128(16) .
S1 O114 1.411(17) .
S1 O199 1.49(8) 2_666
S1 O116 1.475(15) .
S1 O113 1.502(14) .
S1 O115 1.527(14) .
S2 O119 1.34(2) .
S2 O118 1.35(3) .
S2 O117 1.467(16) .
S2 O120 1.536(17) .
S3 O122 1.36(5) .
S3 O123 1.21(3) .
S3 O126 1.35(5) .
S3 O125 1.48(3) .
S3 O121 1.514(17) .
S3 O127 1.56(2) .
S3 O124 1.60(2) .
S3 O159 1.57(7) 2_666
S4 O130 1.38(4) .
S4 O133 1.38(3) .
S4 O132 1.44(3) .
S4 O129 1.46(3) .
S4 O128 1.529(17) .
S4 O131 1.56(2) .
S4 O134 1.55(2) .
S5 O80 1.38(2) .
S5 O81 1.513(17) .
S5 O79 1.65(3) .
S6 O100 1.505(16) .
S6 O97 1.528(16) .
S6 O102 1.68(2) .
S6 O101 1.94(10) .
S7 O72 1.42(2) .
S7 O69 1.470(15) .
S7 O71 1.62(3) .
S7 O70 1.618(18) .
S8 O137 1.448(19) .
S8 O135 1.457(17) .
S8 O138 1.55(2) .
S8 O136 1.573(18) .
S9 O139 1.442(15) .
S9 O142 1.447(16) .
S9 O141 1.50(2) .
S9 O140 1.57(2) .
S10 O143 1.462(15) .
S10 O144 1.509(17) .
S10 O146 1.501(17) .
S10 O145 1.505(15) .
S11 O147 1.61(3) .
S11 O150 1.72(4) .
S11 O148 1.95(5) .
O5 C315 0.74(10) .
O21 C6 1.37(2) .
O21 C13 1.47(2) .
O22 C19 1.38(2) .
O22 C26 1.51(3) .
O23 C32 1.37(2) .
O23 C39 1.46(2) .
O24 C45 1.36(2) .
O24 C52 1.46(2) .
O45 C85 1.45(3) .
O45 C92 1.54(4) .
O46 C98 1.27(3) .
O46 C105 1.6(2) .
O226 C111 1.34(3) .
O226 C118 1.41(3) .
O48 C124 1.37(2) .
O48 C131 1.47(3) .
O49 C137 1.34(2) .
O49 C144 1.53(3) .
O50 C150 1.41(2) .
O50 C157 1.45(2) .
O73 C163 1.37(2) .
O73 C170 1.42(3) .
O74 C176 1.34(2) .
O74 C183 1.44(2) .
O75 C189 1.35(2) .
O75 C196 1.44(3) .
O76 C202 1.36(2) .
O76 C209 1.47(2) .
O77 C215 1.36(3) .
O77 C222 1.46(3) .
O78 C228 1.42(3) .
O78 C235 1.44(3) .
O82 C317 1.61(5) .
O102 O103 1.63(3) .
O103 O106 1.42(5) .
O103 O105 1.53(3) .
O103 O104 1.62(5) .
O107 C241 1.40(2) .
O107 C248 1.49(3) .
O108 C261 1.39(3) .
O108 C254 1.42(2) .
O109 C267 1.38(2) .
O109 C274 1.45(2) .
O110 C287 1.39(2) .
O110 C280 1.40(2) .
O111 C293 1.37(3) .
O111 C300 1.37(3) .
O112 C306 1.38(3) .
O112 C313 1.42(3) .
O115 O199 1.52(8) 2_666
O116 O199 1.73(8) 2_666
O121 O122 1.44(5) .
O122 O123 1.03(5) .
O123 O124 1.83(5) .
O124 O125 1.41(4) .
O125 O159 0.89(7) 2_666
O125 O126 1.26(5) .
O126 O159 1.24(8) 2_666
O126 O127 1.53(5) .
O129 O130 1.33(4) .
O129 O134 1.52(3) .
O130 O131 1.40(4) .
O131 O132 1.46(4) .
O132 O133 1.41(4) .
O133 O134 1.33(3) .
O151 O152 1.24(5) .
O159 O125 0.89(7) 2_666
O159 O126 1.24(8) 2_666
O159 S3 1.57(7) 2_666
O164 O165 1.37(3) .
O165 O166 1.55(4) .
O169 O170 1.70(4) .
O175 O176 1.77(5) .
O176 O177 1.56(4) .
O180 O181 1.69(3) .
O181 O182 1.60(3) .
O182 O183 1.54(3) .
O183 O184 1.45(5) .
O193 O194 1.26(6) .
O198 O219 1.63(7) 1_445
O199 S1 1.49(8) 2_666
O199 O115 1.52(8) 2_666
O199 O116 1.73(8) 2_666
O200 C27 1.30(9) 2_666
O219 O227 1.10(5) .
O219 O198 1.63(7) 1_665
O224 C58 1.36(2) .
O224 C65 1.55(3) .
O225 C71 1.42(2) .
O225 C78 1.59(5) .
N1 C1 1.37(2) .
N1 C2 1.42(3) .
N2 C1 1.34(2) .
N2 C4 1.46(2) .
N2 C3 1.44(3) .
N3 C10 1.36(2) .
N3 C11 1.38(3) .
N3 C8 1.49(3) .
N4 C10 1.29(2) .
N4 C12 1.43(2) .
N5 C14 1.32(2) .
N5 C15 1.51(3) .
N6 C14 1.35(2) .
N6 C16 1.36(3) .
N6 C17 1.53(2) .
N7 C25 1.39(2) .
N7 C23 1.41(2) .
N7 C21 1.48(2) .
N8 C23 1.30(2) .
N8 C24 1.41(2) .
N9 C27 1.32(2) .
N9 C28 1.35(2) .
N10 C27 1.31(2) .
N10 C29 1.42(2) .
N10 C30 1.44(2) .
N11 C37 1.38(2) .
N11 C36 1.40(2) .
N11 C34 1.44(2) .
N12 C36 1.35(2) .
N12 C38 1.38(2) .
N13 C40 1.33(3) .
N13 C41 1.40(2) .
N14 C42 1.35(3) .
N14 C43 1.36(2) .
N14 C40 1.41(2) .
N15 C49 1.39(3) .
N15 C47 1.38(2) .
N15 C50 1.40(2) .
N16 C49 1.26(3) .
N16 C51 1.36(2) .
N17 C53 1.29(2) .
N17 C54 1.37(3) .
N18 C55 1.33(3) .
N18 C53 1.40(2) .
N18 C56 1.42(2) .
N19 C62 1.32(2) .
N19 C63 1.38(3) .
N19 C60 1.43(2) .
N20 C64 1.32(2) .
N20 C62 1.35(3) .
N21 C66 1.33(2) .
N21 C67 1.44(3) .
N22 C68 1.35(3) .
N22 C66 1.39(2) .
N22 C69 1.39(3) .
N23 C76 1.38(2) .
N23 C75 1.40(2) .
N23 C73 1.49(3) .
N24 C77 1.35(3) .
N24 C75 1.35(3) .
N25 C80 1.24(3) .
N25 C81 1.48(3) .
N26 C83 1.35(3) .
N26 C82 1.42(3) .
N26 C80 1.49(3) .
N27 C87 1.29(3) .
N27 C89 1.32(3) .
N27 C90 1.49(4) .
N28 C89 1.29(3) .
N28 C91 1.46(3) .
N29 C93 1.28(3) .
N29 C94 1.56(3) .
N30 C96 1.25(3) .
N30 C93 1.41(3) .
N30 C95 1.44(3) .
N31 C103 1.33(4) .
N31 C102 1.35(3) .
N31 C100 1.50(3) .
N32 C102 1.32(3) .
N32 C104 1.40(3) .
N33 C106 1.27(3) .
N33 C107 1.49(3) .
N34 C106 1.43(3) .
N34 C109 1.45(3) .
N34 C108 1.46(3) .
N35 C116 1.39(3) .
N35 C115 1.42(3) .
N35 C113 1.48(3) .
N36 C115 1.25(3) .
N36 C117 1.41(3) .
N37 C119 1.27(3) .
N37 C120 1.43(3) .
N38 C119 1.38(3) .
N38 C121 1.41(3) .
N38 C122 1.47(3) .
N39 C126 1.40(2) .
N39 C128 1.43(2) .
N39 C129 1.46(3) .
N40 C128 1.28(2) .
N40 C130 1.38(2) .
N41 C132 1.36(3) .
N41 C133 1.45(3) .
N42 C135 1.34(3) .
N42 C134 1.41(3) .
N42 C132 1.47(3) .
N43 C142 1.38(2) .
N43 C141 1.40(2) .
N43 C139 1.48(2) .
N44 C141 1.25(2) .
N44 C143 1.39(2) .
N45 C145 1.33(3) .
N45 C146 1.46(3) .
N46 C147 1.35(3) .
N46 C148 1.42(3) .
N46 C145 1.45(3) .
N47 C154 1.34(2) .
N47 C155 1.38(3) .
N47 C152 1.43(3) .
N48 C154 1.32(2) .
N48 C156 1.44(2) .
N49 C158 1.27(2) .
N49 C159 1.39(2) .
N50 C158 1.39(2) .
N50 C160 1.40(3) .
N50 C161 1.41(3) .
N51 C167 1.36(3) .
N51 C168 1.42(3) .
N51 C165 1.45(3) .
N52 C167 1.27(3) .
N52 C169 1.38(3) .
N53 C171 1.32(2) .
N53 C172 1.40(2) .
N54 C173 1.36(2) .
N54 C174 1.41(2) .
N54 C171 1.46(2) .
N55 C181 1.38(2) .
N55 C180 1.39(2) .
N55 C178 1.44(2) .
N56 C180 1.37(2) .
N56 C182 1.45(3) .
N57 C184 1.30(2) .
N57 C185 1.34(2) .
N58 C184 1.35(2) .
N58 C186 1.40(2) .
N58 C187 1.42(2) .
N59 C193 1.37(2) .
N59 C191 1.39(2) .
N59 C194 1.46(3) .
N60 C193 1.36(2) .
N60 C195 1.38(3) .
N61 C197 1.33(2) .
N61 C198 1.35(2) .
N62 C200 1.33(2) .
N62 C197 1.41(2) .
N62 C199 1.43(2) .
N63 C204 1.40(2) .
N63 C206 1.39(2) .
N63 C207 1.42(3) .
N64 C206 1.30(2) .
N64 C208 1.51(3) .
N65 C210 1.28(2) .
N65 C211 1.39(2) .
N66 C212 1.40(3) .
N66 C210 1.40(2) .
N66 C213 1.44(3) .
N67 C219 1.34(3) .
N67 C220 1.39(3) .
N67 C217 1.44(3) .
N68 C219 1.33(3) .
N68 C221 1.36(3) .
N69 C224 1.37(2) .
N69 C223 1.43(2) .
N70 C223 1.37(2) .
N70 C225 1.36(2) .
N70 C226 1.44(2) .
N71 C233 1.37(2) .
N71 C232 1.37(2) .
N71 C230 1.50(3) .
N72 C232 1.36(3) .
N72 C234 1.46(3) .
N73 C236 1.40(2) .
N73 C237 1.40(2) .
N74 C236 1.38(2) .
N74 C238 1.38(2) .
N74 C239 1.45(2) .
N75 C246 1.41(3) .
N75 C243 1.44(2) .
N75 C245 1.46(2) .
N76 C245 1.36(3) .
N76 C247 1.41(3) .
N77 C249 1.29(2) .
N77 C250 1.40(2) .
N78 C252 1.39(2) .
N78 C249 1.42(2) .
N78 C251 1.43(2) .
N79 C258 1.35(2) .
N79 C259 1.35(2) .
N79 C256 1.45(2) .
N80 C258 1.30(2) .
N80 C260 1.40(3) .
N81 C262 1.40(2) .
N81 C263 1.42(2) .
N82 C264 1.41(2) .
N82 C262 1.41(2) .
N82 C265 1.47(2) .
N83 C272 1.38(2) .
N83 C271 1.39(2) .
N83 C269 1.47(2) .
N84 C271 1.32(2) .
N84 C273 1.44(3) .
N85 C275 1.31(2) .
N85 C276 1.41(2) .
N86 C275 1.35(2) .
N86 C277 1.43(2) .
N86 C278 1.43(2) .
N87 C285 1.35(2) .
N87 C284 1.42(2) .
N87 C282 1.43(2) .
N88 C284 1.32(2) .
N88 C286 1.42(3) .
N89 C288 1.32(2) .
N89 C289 1.42(2) .
N90 C290 1.36(2) .
N90 C288 1.44(2) .
N90 C291 1.47(3) .
N91 C298 1.37(2) .
N91 C297 1.40(2) .
N91 C295 1.43(3) .
N92 C297 1.33(2) .
N92 C299 1.41(2) .
N93 C301 1.27(2) .
N93 C302 1.40(2) .
N94 C303 1.38(3) .
N94 C301 1.43(2) .
N94 C304 1.45(3) .
N95 C308 1.31(3) .
N95 C311 1.44(3) .
N95 C310 1.47(3) .
N96 C310 1.29(3) .
N96 C312 1.48(3) .
C2 C3 1.38(3) .
C4 C9 1.34(3) .
C4 C5 1.41(3) .
C5 C6 1.43(3) .
C6 C7 1.35(3) .
C7 C8 1.33(3) .
C8 C9 1.35(3) .
C11 C12 1.40(3) .
C15 C16 1.22(3) .
C17 C22 1.35(3) .
C17 C18 1.38(3) .
C18 C19 1.43(3) .
C19 C20 1.36(3) .
C20 C21 1.44(2) .
C21 C22 1.30(3) .
C24 C25 1.36(3) .
C27 O200 1.30(9) 2_666
C28 C29 1.34(3) .
C30 C35 1.35(3) .
C30 C31 1.48(2) .
C31 C32 1.38(3) .
C32 C33 1.34(3) .
C33 C34 1.43(3) .
C34 C35 1.34(3) .
C37 C38 1.37(3) .
C41 C42 1.43(3) .
C43 C48 1.39(3) .
C43 C44 1.50(3) .
C44 C45 1.33(3) .
C45 C46 1.38(3) .
C46 C47 1.36(3) .
C47 C48 1.42(3) .
C50 C51 1.44(3) .
C54 C55 1.42(3) .
C56 C57 1.38(3) .
C56 C61 1.44(3) .
C57 C58 1.44(3) .
C58 C59 1.36(3) .
C59 C60 1.43(2) .
C60 C61 1.39(3) .
C63 C64 1.39(3) .
C67 C68 1.40(3) .
C69 C74 1.41(3) .
C69 C70 1.47(3) .
C70 C71 1.37(3) .
C71 C72 1.40(3) .
C72 C73 1.45(3) .
C73 C74 1.35(3) .
C76 C77 1.45(3) .
C81 C82 1.34(4) .
C83 C88 1.40(3) .
C83 C84 1.41(3) .
C84 C85 1.35(3) .
C85 C86 1.41(3) .
C86 C87 1.44(3) .
C87 C88 1.41(3) .
C90 C91 1.36(3) .
C94 C95 1.37(4) .
C96 C101 1.28(3) .
C96 C97 1.59(4) .
C97 C98 1.43(6) .
C98 C99 1.25(5) .
C99 C100 1.45(4) .
C100 C101 1.48(4) .
C103 C104 1.30(4) .
C107 C108 1.33(3) .
C109 C114 1.31(3) .
C109 C110 1.41(3) .
C110 C111 1.32(3) .
C111 C112 1.45(4) .
C112 C113 1.39(3) .
C113 C114 1.36(3) .
C116 C117 1.40(4) .
C120 C121 1.41(3) .
C122 C123 1.40(3) .
C122 C127 1.45(3) .
C123 C124 1.30(3) .
C124 C125 1.41(3) .
C125 C126 1.40(3) .
C126 C127 1.37(3) .
C129 C130 1.42(3) .
C133 C134 1.40(3) .
C135 C136 1.44(3) .
C135 C140 1.47(3) .
C136 C137 1.38(3) .
C137 C138 1.42(3) .
C138 C139 1.39(3) .
C139 C140 1.36(3) .
C142 C143 1.30(3) .
C146 C147 1.30(3) .
C148 C149 1.44(3) .
C148 C153 1.44(3) .
C149 C150 1.37(3) .
C150 C151 1.40(3) .
C151 C152 1.46(3) .
C152 C153 1.38(3) .
C155 C156 1.36(3) .
C159 C160 1.34(3) .
C161 C162 1.40(3) .
C161 C166 1.45(3) .
C162 C163 1.42(3) .
C163 C164 1.38(3) .
C164 C165 1.38(3) .
C165 C166 1.42(3) .
C168 C169 1.32(3) .
C172 C173 1.39(3) .
C174 C179 1.36(2) .
C174 C175 1.42(2) .
C175 C176 1.39(3) .
C176 C177 1.40(3) .
C177 C178 1.45(3) .
C178 C179 1.37(3) .
C181 C182 1.40(3) .
C185 C186 1.34(3) .
C187 C192 1.37(3) .
C187 C188 1.42(2) .
C188 C189 1.38(3) .
C189 C190 1.43(3) .
C190 C191 1.48(3) .
C191 C192 1.39(3) .
C194 C195 1.29(3) .
C198 C199 1.35(3) .
C200 C205 1.40(3) .
C200 C201 1.42(3) .
C201 C202 1.45(3) .
C202 C203 1.41(3) .
C203 C204 1.45(3) .
C204 C205 1.38(3) .
C207 C208 1.31(3) .
C211 C212 1.35(3) .
C213 C214 1.37(3) .
C213 C218 1.39(3) .
C214 C215 1.46(3) .
C215 C216 1.42(3) .
C216 C217 1.38(3) .
C217 C218 1.42(3) .
C220 C221 1.25(3) .
C224 C225 1.39(3) .
C226 C231 1.36(3) .
C226 C227 1.41(2) .
C227 C228 1.40(3) .
C228 C229 1.35(3) .
C229 C230 1.42(3) .
C230 C231 1.36(3) .
C233 C234 1.34(3) .
C237 C238 1.40(3) .
C239 C244 1.39(3) .
C239 C240 1.42(2) .
C240 C241 1.33(3) .
C241 C242 1.39(3) .
C242 C243 1.43(2) .
C243 C244 1.38(3) .
C246 C247 1.28(3) .
C250 C251 1.32(2) .
C252 C257 1.37(2) .
C252 C253 1.44(2) .
C253 C254 1.33(3) .
C254 C255 1.47(3) .
C255 C256 1.38(3) .
C256 C257 1.40(3) .
C259 C260 1.29(3) .
C263 C264 1.28(3) .
C265 C270 1.38(3) .
C265 C266 1.40(2) .
C266 C267 1.40(3) .
C267 C268 1.39(3) .
C268 C269 1.38(3) .
C269 C270 1.42(2) .
C272 C273 1.30(3) .
C276 C277 1.41(3) .
C278 C279 1.35(2) .
C278 C283 1.38(3) .
C279 C280 1.40(2) .
C280 C281 1.34(3) .
C281 C282 1.40(2) .
C282 C283 1.41(2) .
C285 C286 1.46(3) .
C289 C290 1.37(3) .
C291 C296 1.36(3) .
C291 C292 1.37(3) .
C292 C293 1.45(3) .
C293 C294 1.40(3) .
C294 C295 1.36(3) .
C295 C296 1.42(3) .
C298 C299 1.26(3) .
C302 C303 1.42(3) .
C304 C309 1.37(3) .
C304 C305 1.39(3) .
C305 C306 1.36(3) .
C306 C307 1.36(3) .
C307 C308 1.48(3) .
C308 C309 1.45(3) .
C311 C312 1.38(4) .
O314 O316 1.31(5) .
