#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:24:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178781 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/35/4103560.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_4103560
loop_
_publ_author_name
'Jianxin Song'
'Naoki Aratani'
'Hiroshi Shinokubo'
'Atsuhiro Osuka'
_publ_section_title
;
 A Porphyrin Nanobarrel That Encapsulates C60
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16356
_journal_page_last               16357
_journal_paper_doi               10.1021/ja107814s
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C232 H216 N24 Ni4, 3(C60), 4(C Cl3)'
_chemical_formula_sum            'C416 H216 Cl12 N24 Ni4'
_chemical_formula_weight         6210.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.049(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   26.506(3)
_cell_length_b                   27.945(3)
_cell_length_c                   26.552(3)
_cell_measurement_reflns_used    5637
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      25.62
_cell_measurement_theta_min      2.25
_cell_volume                     19667(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0696
_diffrn_reflns_av_sigmaI/netI    0.1952
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            101284
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.73
_exptl_absorpt_coefficient_mu    0.323
_exptl_absorpt_correction_T_max  0.9381
_exptl_absorpt_correction_T_min  0.8815
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.049
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6392
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_platon_squeeze_details
;
;
_refine_diff_density_max         1.160
_refine_diff_density_min         -0.424
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.794
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2709
_refine_ls_number_reflns         34592
_refine_ls_number_restraints     2157
_refine_ls_restrained_S_all      0.813
_refine_ls_R_factor_all          0.1698
_refine_ls_R_factor_gt           0.0844
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0870P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1934
_refine_ls_wR_factor_ref         0.2242
_reflns_number_gt                11913
_reflns_number_total             34592
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja107814s_si_003.cif
_cod_data_source_block           00126so
_cod_original_cell_volume        19668(4)
_cod_database_code               4103560
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1E C 0.6385(10) 0.1533(9) 0.8264(9) 0.261(8) Uani 0.50 1 d PGDU A -1
C2E C 0.6668(12) 0.1887(6) 0.8523(10) 0.275(8) Uani 0.50 1 d PGDU A -1
C3E C 0.7076(10) 0.1656(10) 0.8770(12) 0.263(8) Uani 0.50 1 d PGU A -1
C4E C 0.7044(10) 0.1159(10) 0.8664(11) 0.272(9) Uani 0.50 1 d PGDU A -1
C5E C 0.6617(10) 0.1083(7) 0.8351(10) 0.276(9) Uani 0.50 1 d PGDU A -1
N1A N 0.84643(15) 0.29966(12) 0.99808(13) 0.0412(10) Uani 1 1 d . . .
C6E C 0.6856(11) 0.2744(10) 0.7546(8) 0.249(8) Uani 0.50 1 d PGU A -1
C7E C 0.7299(9) 0.2798(10) 0.7842(10) 0.231(8) Uani 0.50 1 d PGU A -1
C8E C 0.7224(9) 0.2551(8) 0.8303(9) 0.224(8) Uani 0.50 1 d PGDU A -1
C9E C 0.6735(9) 0.2344(8) 0.8293(9) 0.255(8) Uani 0.50 1 d PGDU A -1
C10E C 0.6508(9) 0.2463(8) 0.7825(10) 0.264(8) Uani 0.50 1 d PGDU A -1
N2A N 0.84543(16) 0.20221(12) 0.99794(13) 0.0467(11) Uani 1 1 d . . .
C11E C 0.8125(13) 0.1560(7) 0.8672(11) 0.238(8) Uani 0.50 1 d PGU A -1
C12E C 0.7644(10) 0.1753(10) 0.8788(9) 0.228(8) Uani 0.50 1 d PGU A -1
C13E C 0.7611(8) 0.2214(10) 0.8566(9) 0.207(7) Uani 0.50 1 d PGDU A -1
C14E C 0.8073(10) 0.2307(8) 0.8313(8) 0.185(7) Uani 0.50 1 d PGDU A -1
C15E C 0.8391(7) 0.1902(11) 0.8379(9) 0.208(7) Uani 0.50 1 d PGDU A -1
N3A N 0.74534(15) 0.20181(11) 1.01097(12) 0.0369(9) Uani 1 1 d . . .
C16E C 0.6253(8) 0.2064(8) 0.7100(7) 0.231(8) Uani 0.50 1 d PGDU A -1
C17E C 0.6243(9) 0.2132(6) 0.7630(8) 0.260(8) Uani 0.50 1 d PGDU A -1
C18E C 0.6144(9) 0.1682(7) 0.7859(7) 0.265(8) Uani 0.50 1 d PGDU A -1
C19E C 0.6093(8) 0.1336(6) 0.7470(10) 0.277(8) Uani 0.50 1 d PGDU A -1
C20E C 0.6161(8) 0.1572(9) 0.7001(8) 0.256(8) Uani 0.50 1 d PGDU A -1
N4A N 0.74637(14) 0.30032(12) 1.01131(12) 0.0341(9) Uani 1 1 d . . .
C21E C 0.6597(11) 0.0728(11) 0.8020(8) 0.294(9) Uani 0.50 1 d PGDU A -1
C22E C 0.6334(10) 0.0850(9) 0.7572(11) 0.287(8) Uani 0.50 1 d PGDU A -1
C23E C 0.6612(13) 0.0670(10) 0.7156(8) 0.265(8) Uani 0.50 1 d PGDU A -1
C24E C 0.7048(10) 0.0436(12) 0.7348(11) 0.272(8) Uani 0.50 1 d PGDU A -1
C25E C 0.7038(11) 0.0471(11) 0.7881(11) 0.283(9) Uani 0.50 1 d PGDU A -1
N1B N 0.50201(13) 0.29919(12) 0.84601(14) 0.0382(9) Uani 1 1 d . . .
C26E C 0.7430(11) 0.0495(14) 0.8220(13) 0.290(8) Uani 0.50 1 d PGDU A -1
C27E C 0.7880(16) 0.0483(11) 0.7930(8) 0.260(8) Uani 0.50 1 d PGDU A -1
C28E C 0.8212(10) 0.0838(13) 0.8123(13) 0.261(8) Uani 0.50 1 d PGDU A -1
C29E C 0.7967(16) 0.1069(10) 0.8532(12) 0.258(8) Uani 0.50 1 d PGU A -1
C30E C 0.7484(12) 0.0857(14) 0.8592(10) 0.273(9) Uani 0.50 1 d PGDU A -1
N2B N 0.50185(14) 0.20187(13) 0.84555(16) 0.0489(11) Uani 1 1 d . . .
C31E C 0.8442(10) 0.1657(16) 0.6683(9) 0.250(8) Uani 0.50 1 d PGDU A -1
C32E C 0.8266(14) 0.2128(11) 0.6587(10) 0.258(8) Uani 0.50 1 d PGDU A -1
C33E C 0.7832(12) 0.2095(11) 0.6276(11) 0.236(8) Uani 0.50 1 d PGDU A -1
C34E C 0.7739(11) 0.1602(14) 0.6180(12) 0.252(8) Uani 0.50 1 d PGDU A -1
C35E C 0.8116(16) 0.1332(7) 0.6432(14) 0.265(8) Uani 0.50 1 d PGDU A -1
N3B N 0.48938(13) 0.20180(11) 0.74598(14) 0.0358(9) Uani 1 1 d . . .
C36E C 0.8142(8) 0.2542(8) 0.7839(5) 0.180(7) Uani 0.50 1 d PGDU A -1
C37E C 0.7723(7) 0.2734(9) 0.7575(9) 0.193(7) Uani 0.50 1 d PGU A -1
C38E C 0.7807(9) 0.2667(10) 0.7052(8) 0.231(7) Uani 0.50 1 d PGDU A -1
C39E C 0.8279(11) 0.2434(9) 0.6992(6) 0.224(7) Uani 0.50 1 d PGDU A -1
C40E C 0.8486(7) 0.2357(8) 0.7479(9) 0.188(7) Uani 0.50 1 d PGDU A -1
N4B N 0.48867(12) 0.29995(12) 0.74617(14) 0.0361(9) Uani 1 1 d . . .
C41E C 0.6895(11) 0.2162(9) 0.6416(8) 0.237(8) Uani 0.50 1 d PGDU A -1
C42E C 0.7369(9) 0.2399(10) 0.6410(10) 0.228(8) Uani 0.50 1 d PGDU A -1
C43E C 0.7367(8) 0.2748(9) 0.6799(11) 0.240(8) Uani 0.50 1 d PGDU A -1
C44E C 0.6892(10) 0.2726(7) 0.7046(9) 0.243(8) Uani 0.50 1 d PGDU A -1
C45E C 0.6601(8) 0.2363(8) 0.6809(9) 0.244(8) Uani 0.50 1 d PGDU A -1
N1P N 0.59176(18) 0.16681(12) 0.97481(17) 0.0510(12) Uani 1 1 d . . .
C46E C 0.8616(9) 0.1537(10) 0.8020(6) 0.228(8) Uani 0.50 1 d PGDU A -1
C47E C 0.8672(10) 0.1848(6) 0.7601(11) 0.219(7) Uani 0.50 1 d PGDU A -1
C48E C 0.8679(10) 0.1565(11) 0.7157(7) 0.235(8) Uani 0.50 1 d PGDU A -1
C49E C 0.8627(10) 0.1078(9) 0.7301(9) 0.239(8) Uani 0.50 1 d PGDU A -1
C50E C 0.8588(9) 0.1061(7) 0.7834(10) 0.229(7) Uani 0.50 1 d PGDU A -1
N2P N 0.59067(16) 0.33506(12) 0.97574(15) 0.0424(10) Uani 1 1 d . . .
C51E C 0.8114(12) 0.0868(8) 0.6666(11) 0.254(8) Uani 0.50 1 d PGDU A -1
C52E C 0.8314(11) 0.0704(11) 0.7132(13) 0.272(8) Uani 0.50 1 d PGDU A -1
C53E C 0.7936(17) 0.0427(11) 0.7375(7) 0.264(8) Uani 0.50 1 d PGDU A -1
C54E C 0.7503(10) 0.0420(11) 0.7060(13) 0.262(8) Uani 0.50 1 d PGDU A -1
C55E C 0.7613(11) 0.0692(12) 0.6622(11) 0.271(8) Uani 0.50 1 d PGDU A -1
N3P N 0.52535(18) 0.16627(13) 0.59174(18) 0.0546(12) Uani 1 1 d . . .
C56E C 0.7203(9) 0.0934(9) 0.6422(11) 0.255(8) Uani 0.50 1 d PGDU A -1
C57E C 0.6737(9) 0.0923(8) 0.6684(10) 0.264(8) Uani 0.50 1 d PGDU A -1
C58E C 0.6501(7) 0.1376(8) 0.6624(9) 0.246(8) Uani 0.50 1 d PGDU A -1
C59E C 0.6822(10) 0.1667(7) 0.6325(10) 0.245(8) Uani 0.50 1 d PGDU A -1
C60E C 0.7256(8) 0.1394(9) 0.6200(9) 0.242(8) Uani 0.50 1 d PGDU A -1
C1A C 0.8447(2) 0.34634(15) 1.01351(17) 0.0404(12) Uani 1 1 d . . .
C2A C 0.89030(19) 0.37016(16) 1.00390(16) 0.0431(12) Uani 1 1 d . . .
H2A H 0.8982 0.4023 1.0123 0.052 Uiso 1 1 calc R . .
C3A C 0.9204(2) 0.33876(18) 0.98065(19) 0.0505(14) Uani 1 1 d . . .
C4A C 0.8928(2) 0.29432(17) 0.97662(17) 0.0453(13) Uani 1 1 d . . .
C5A C 0.91425(19) 0.25089(18) 0.96422(18) 0.0543(13) Uani 1 1 d . . .
H5A H 0.9449 0.2506 0.9457 0.065 Uiso 1 1 calc R . .
C6A C 0.8926(2) 0.20785(18) 0.97798(18) 0.0553(15) Uani 1 1 d . . .
C7A C 0.9203(2) 0.16341(17) 0.9793(2) 0.0605(16) Uani 1 1 d . . .
C8A C 0.8886(2) 0.13182(18) 1.0020(2) 0.0649(17) Uani 1 1 d . . .
H8A H 0.8963 0.0994 1.0096 0.078 Uiso 1 1 calc R . .
C12A C 0.7057(2) 0.13163(16) 1.03058(18) 0.0434(13) Uani 1 1 d . . .
H12A H 0.7006 0.0995 1.0412 0.052 Uiso 1 1 calc R . .
C13A C 0.6694(2) 0.16312(16) 1.01913(18) 0.0437(13) Uani 1 1 d . . .
C14A C 0.69379(19) 0.20843(16) 1.00816(16) 0.0389(12) Uani 1 1 d . . .
C15A C 0.66976(17) 0.25100(17) 1.00330(15) 0.0440(11) Uani 1 1 d . . .
H15A H 0.6346 0.2514 0.9966 0.053 Uiso 1 1 calc R . .
C16A C 0.6959(2) 0.29462(15) 1.00804(15) 0.0380(12) Uani 1 1 d . . .
C17A C 0.6687(2) 0.33926(15) 1.01954(16) 0.0426(13) Uani 1 1 d . . .
C18A C 0.70596(18) 0.37113(15) 1.03146(16) 0.0382(12) Uani 1 1 d . . .
H18A H 0.7014 0.4032 1.0424 0.046 Uiso 1 1 calc R . .
C22A C 0.78532(18) 0.04463(17) 1.0085(2) 0.0568(14) Uani 1 1 d . B .
H22A H 0.7699 0.0531 0.9775 0.068 Uiso 1 1 calc R . .
C23A C 0.7909(2) -0.00259(18) 1.0215(3) 0.0761(19) Uani 1 1 d D . .
C24A C 0.8147(2) -0.01378(19) 1.0663(3) 0.077(2) Uani 1 1 d . B .
H24A H 0.8188 -0.0467 1.0742 0.092 Uiso 1 1 calc R . .
C25A C 0.8330(2) 0.01910(18) 1.1003(2) 0.0688(18) Uani 1 1 d D . .
C26A C 0.82650(19) 0.06766(17) 1.0859(2) 0.0542(15) Uani 1 1 d . B .
H26A H 0.8389 0.0921 1.1075 0.065 Uiso 1 1 calc R . .
C27A C 0.7726(4) -0.0416(3) 0.9852(5) 0.177(3) Uani 1 1 d DU . .
C28A C 0.7249(4) -0.0334(3) 0.9652(4) 0.201(4) Uani 1 1 d DU . .
H28A H 0.7008 -0.0280 0.9927 0.302 Uiso 1 1 calc R . .
H28B H 0.7143 -0.0614 0.9455 0.302 Uiso 1 1 calc R . .
H28C H 0.7259 -0.0052 0.9434 0.302 Uiso 1 1 calc R . .
C29A C 0.7776(4) -0.0908(3) 1.0111(4) 0.221(4) Uani 1 1 d DU . .
H29A H 0.8112 -0.0937 1.0263 0.332 Uiso 1 1 calc R . .
H29B H 0.7730 -0.1162 0.9861 0.332 Uiso 1 1 calc R . .
H29C H 0.7518 -0.0938 1.0373 0.332 Uiso 1 1 calc R . .
C30A C 0.8119(4) -0.0447(4) 0.9441(4) 0.226(5) Uani 1 1 d DU . .
H30A H 0.8446 -0.0529 0.9590 0.340 Uiso 1 1 calc R . .
H30B H 0.8144 -0.0138 0.9269 0.340 Uiso 1 1 calc R . .
H30C H 0.8021 -0.0694 0.9198 0.340 Uiso 1 1 calc R . .
C31A C 0.8635(4) 0.0021(4) 1.1421(5) 0.066(3) Uani 0.630(8) 1 d PDU B 1
C32A C 0.9175(3) -0.0062(3) 1.1270(3) 0.061(3) Uani 0.630(8) 1 d PDU B 1
H32A H 0.9370 -0.0162 1.1566 0.091 Uiso 0.630(8) 1 calc PR B 1
H32B H 0.9317 0.0235 1.1134 0.091 Uiso 0.630(8) 1 calc PR B 1
H32C H 0.9190 -0.0313 1.1013 0.091 Uiso 0.630(8) 1 calc PR B 1
C33A C 0.8596(5) 0.0405(4) 1.1840(4) 0.080(4) Uani 0.630(8) 1 d PDU B 1
H33A H 0.8797 0.0304 1.2132 0.121 Uiso 0.630(8) 1 calc PR B 1
H33B H 0.8243 0.0442 1.1941 0.121 Uiso 0.630(8) 1 calc PR B 1
H33C H 0.8725 0.0711 1.1713 0.121 Uiso 0.630(8) 1 calc PR B 1
C34A C 0.8434(4) -0.0441(3) 1.1653(3) 0.082(3) Uani 0.630(8) 1 d PDU B 1
H34A H 0.8643 -0.0530 1.1942 0.123 Uiso 0.630(8) 1 calc PR B 1
H34B H 0.8444 -0.0697 1.1401 0.123 Uiso 0.630(8) 1 calc PR B 1
H34C H 0.8085 -0.0392 1.1764 0.123 Uiso 0.630(8) 1 calc PR B 1
C31C C 0.8525(6) 0.0110(7) 1.1606(6) 0.042(6) Uani 0.370(8) 1 d PDU B 2
C32C C 0.8070(6) 0.0003(5) 1.1962(5) 0.075(6) Uani 0.370(8) 1 d PDU B 2
H32D H 0.7886 -0.0278 1.1839 0.112 Uiso 0.370(8) 1 calc PR B 2
H32E H 0.7843 0.0280 1.1969 0.112 Uiso 0.370(8) 1 calc PR B 2
H32F H 0.8195 -0.0061 1.2303 0.112 Uiso 0.370(8) 1 calc PR B 2
C33C C 0.8885(7) -0.0337(6) 1.1586(7) 0.093(7) Uani 0.370(8) 1 d PDU B 2
H33D H 0.8698 -0.0615 1.1460 0.140 Uiso 0.370(8) 1 calc PR B 2
H33E H 0.9012 -0.0406 1.1925 0.140 Uiso 0.370(8) 1 calc PR B 2
H33F H 0.9169 -0.0270 1.1361 0.140 Uiso 0.370(8) 1 calc PR B 2
C34C C 0.8829(5) 0.0549(5) 1.1809(6) 0.044(5) Uani 0.370(8) 1 d PDU B 2
H34D H 0.9115 0.0613 1.1585 0.066 Uiso 0.370(8) 1 calc PR B 2
H34E H 0.8954 0.0478 1.2149 0.066 Uiso 0.370(8) 1 calc PR B 2
H34F H 0.8609 0.0830 1.1821 0.066 Uiso 0.370(8) 1 calc PR B 2
C35A C 0.80551(17) 0.42101(15) 1.0447(2) 0.0418(13) Uani 1 1 d . . .
C36A C 0.82888(17) 0.43225(15) 1.08910(19) 0.0450(13) Uani 1 1 d . C .
H36A H 0.8410 0.4074 1.1103 0.054 Uiso 1 1 calc R . .
C37A C 0.83490(18) 0.47922(18) 1.1033(2) 0.0570(15) Uani 1 1 d D . .
C38A C 0.8192(2) 0.5147(2) 1.0706(3) 0.082(2) Uani 1 1 d . C .
H38A H 0.8243 0.5472 1.0798 0.098 Uiso 1 1 calc R . .
C39A C 0.7959(2) 0.50462(18) 1.0242(3) 0.0675(18) Uani 1 1 d . . .
C40A C 0.78904(17) 0.45668(17) 1.01155(19) 0.0496(13) Uani 1 1 d . C .
H40A H 0.7733 0.4483 0.9806 0.059 Uiso 1 1 calc R . .
C41A C 0.8662(5) 0.4960(3) 1.1442(5) 0.064(4) Uani 0.586(8) 1 d PD C 1
C42A C 0.8679(6) 0.4583(5) 1.1872(5) 0.085(6) Uani 0.586(8) 1 d PDU C 1
H42A H 0.8896 0.4700 1.2145 0.128 Uiso 0.586(8) 1 calc PR C 1
H42B H 0.8815 0.4281 1.1741 0.128 Uiso 0.586(8) 1 calc PR C 1
H42C H 0.8338 0.4530 1.2002 0.128 Uiso 0.586(8) 1 calc PR C 1
C43A C 0.9213(3) 0.5050(3) 1.1287(4) 0.073(3) Uani 0.586(8) 1 d PD C 1
H43A H 0.9407 0.5155 1.1581 0.110 Uiso 0.586(8) 1 calc PR C 1
H43B H 0.9223 0.5299 1.1027 0.110 Uiso 0.586(8) 1 calc PR C 1
H43C H 0.9359 0.4754 1.1154 0.110 Uiso 0.586(8) 1 calc PR C 1
C44A C 0.8448(3) 0.5436(3) 1.1670(4) 0.070(3) Uani 0.586(8) 1 d PD C 1
H44A H 0.8664 0.5540 1.1949 0.104 Uiso 0.586(8) 1 calc PR C 1
H44B H 0.8105 0.5380 1.1795 0.104 Uiso 0.586(8) 1 calc PR C 1
H44C H 0.8441 0.5683 1.1409 0.104 Uiso 0.586(8) 1 calc PR C 1
C41C C 0.8522(6) 0.4872(6) 1.1640(6) 0.042(5) Uani 0.414(8) 1 d PDU C 2
C42C C 0.8056(4) 0.4967(4) 1.1976(4) 0.055(4) Uani 0.414(8) 1 d PDU C 2
H42D H 0.7872 0.5245 1.1847 0.083 Uiso 0.414(8) 1 calc PR C 2
H42E H 0.8167 0.5030 1.2322 0.083 Uiso 0.414(8) 1 calc PR C 2
H42F H 0.7835 0.4686 1.1972 0.083 Uiso 0.414(8) 1 calc PR C 2
C43C C 0.8851(5) 0.5326(4) 1.1623(4) 0.053(4) Uani 0.414(8) 1 d PDU C 2
H43D H 0.8646 0.5598 1.1510 0.080 Uiso 0.414(8) 1 calc PR C 2
H43E H 0.9132 0.5277 1.1389 0.080 Uiso 0.414(8) 1 calc PR C 2
H43F H 0.8984 0.5393 1.1960 0.080 Uiso 0.414(8) 1 calc PR C 2
C44C C 0.8810(8) 0.4422(6) 1.1815(8) 0.097(9) Uani 0.414(8) 1 d PDU C 2
H44D H 0.9099 0.4367 1.1593 0.145 Uiso 0.414(8) 1 calc PR C 2
H44E H 0.8584 0.4144 1.1803 0.145 Uiso 0.414(8) 1 calc PR C 2
H44F H 0.8929 0.4469 1.2161 0.145 Uiso 0.414(8) 1 calc PR C 2
C45A C 0.7794(2) 0.5443(2) 0.9875(3) 0.094(2) Uani 1 1 d DU C .
C46A C 0.7835(3) 0.5937(3) 1.0119(4) 0.157(4) Uani 1 1 d DU . .
H46A H 0.8186 0.5995 1.0220 0.236 Uiso 1 1 calc R C .
H46B H 0.7617 0.5951 1.0416 0.236 Uiso 1 1 calc R . .
H46C H 0.7731 0.6182 0.9877 0.236 Uiso 1 1 calc R . .
C47A C 0.7260(3) 0.5346(2) 0.9694(3) 0.113(2) Uani 1 1 d DU . .
H47A H 0.7026 0.5375 0.9977 0.169 Uiso 1 1 calc R C .
H47B H 0.7241 0.5022 0.9554 0.169 Uiso 1 1 calc R . .
H47C H 0.7170 0.5579 0.9433 0.169 Uiso 1 1 calc R . .
C48A C 0.8158(3) 0.5413(3) 0.9437(3) 0.158(4) Uani 1 1 d DU . .
H48A H 0.8501 0.5475 0.9557 0.237 Uiso 1 1 calc R C .
H48B H 0.8066 0.5652 0.9183 0.237 Uiso 1 1 calc R . .
H48C H 0.8141 0.5093 0.9288 0.237 Uiso 1 1 calc R . .
C1B C 0.48645(17) 0.34611(16) 0.8442(2) 0.0401(12) Uani 1 1 d . . .
C2B C 0.49640(17) 0.37001(17) 0.89039(18) 0.0454(13) Uani 1 1 d . . .
H2B H 0.4880 0.4022 0.8983 0.055 Uiso 1 1 calc R . .
C3B C 0.52013(19) 0.33854(17) 0.9211(2) 0.0504(14) Uani 1 1 d . . .
C4B C 0.52336(18) 0.29437(16) 0.89318(19) 0.0466(13) Uani 1 1 d . . .
C5B C 0.53561(19) 0.25077(18) 0.91384(19) 0.0565(13) Uani 1 1 d . . .
H5B H 0.5547 0.2504 0.9442 0.068 Uiso 1 1 calc R . .
C6B C 0.52182(18) 0.20796(18) 0.8931(2) 0.0545(15) Uani 1 1 d . . .
C7B C 0.5208(2) 0.16274(18) 0.9192(2) 0.0598(16) Uani 1 1 d . . .
C8B C 0.4976(2) 0.13171(17) 0.8890(2) 0.0601(16) Uani 1 1 d . . .
H8B H 0.4893 0.0995 0.8970 0.072 Uiso 1 1 calc R . .
C9B C 0.48730(17) 0.15557(17) 0.84225(19) 0.0444(13) Uani 1 1 d . . .
C10B C 0.47332(18) 0.13141(15) 0.7984(2) 0.0471(14) Uani 1 1 d . . .
C11B C 0.47653(17) 0.15409(16) 0.7522(2) 0.0420(13) Uani 1 1 d . . .
C12B C 0.46999(19) 0.13207(16) 0.7053(2) 0.0461(13) Uani 1 1 d . . .
H12B H 0.4595 0.1000 0.6999 0.055 Uiso 1 1 calc R . .
C13B C 0.48084(18) 0.16347(16) 0.66976(19) 0.0426(13) Uani 1 1 d . . .
C14B C 0.49213(17) 0.20841(15) 0.69457(19) 0.0407(12) Uani 1 1 d . . .
C15B C 0.49688(15) 0.25144(17) 0.67041(17) 0.0444(11) Uani 1 1 d . . .
H15B H 0.5039 0.2514 0.6353 0.053 Uiso 1 1 calc R . .
C16B C 0.49196(16) 0.29496(16) 0.69460(19) 0.0382(12) Uani 1 1 d . . .
C17B C 0.48068(16) 0.33917(15) 0.66866(19) 0.0371(12) Uani 1 1 d . . .
C18B C 0.46858(16) 0.37131(15) 0.70637(18) 0.0364(11) Uani 1 1 d . . .
H18B H 0.4578 0.4034 0.7018 0.044 Uiso 1 1 calc R . .
C19B C 0.47512(16) 0.34761(15) 0.75323(19) 0.0373(12) Uani 1 1 d . . .
C20B C 0.47172(16) 0.36947(16) 0.80059(18) 0.0351(11) Uani 1 1 d . . .
C21B C 0.4583(2) 0.08055(17) 0.80263(19) 0.0468(13) Uani 1 1 d . . .
C22B C 0.4910(2) 0.04478(18) 0.78522(19) 0.0630(16) Uani 1 1 d . . .
H22B H 0.5219 0.0533 0.7696 0.076 Uiso 1 1 calc R . .
C23B C 0.4785(3) -0.0024(2) 0.7907(2) 0.077(2) Uani 1 1 d D . .
C24B C 0.4338(3) -0.01462(19) 0.8144(2) 0.078(2) Uani 1 1 d . D .
H24B H 0.4258 -0.0476 0.8182 0.094 Uiso 1 1 calc R . .
C25B C 0.4000(3) 0.0193(2) 0.8327(2) 0.0674(18) Uani 1 1 d D . .
C26B C 0.4141(2) 0.06819(17) 0.82603(18) 0.0551(15) Uani 1 1 d . D .
H26B H 0.3923 0.0927 0.8381 0.066 Uiso 1 1 calc R . .
C27B C 0.5145(5) -0.0415(3) 0.7728(4) 0.173(3) Uani 1 1 d DU . .
C28B C 0.5374(4) -0.0328(3) 0.7270(4) 0.200(4) Uani 1 1 d DU . .
H28D H 0.5116 -0.0290 0.7009 0.300 Uiso 1 1 calc R . .
H28E H 0.5594 -0.0598 0.7183 0.300 Uiso 1 1 calc R . .
H28F H 0.5576 -0.0035 0.7292 0.300 Uiso 1 1 calc R . .
C29B C 0.5560(4) -0.0460(4) 0.8133(4) 0.219(4) Uani 1 1 d DU . .
H29D H 0.5406 -0.0542 0.8457 0.328 Uiso 1 1 calc R . .
H29E H 0.5741 -0.0156 0.8163 0.328 Uiso 1 1 calc R . .
H29F H 0.5797 -0.0713 0.8035 0.328 Uiso 1 1 calc R . .
C30B C 0.4886(5) -0.0901(3) 0.7766(4) 0.225(4) Uani 1 1 d DU . .
H30D H 0.4746 -0.0942 0.8105 0.337 Uiso 1 1 calc R . .
H30E H 0.5133 -0.1155 0.7700 0.337 Uiso 1 1 calc R . .
H30F H 0.4613 -0.0920 0.7518 0.337 Uiso 1 1 calc R . .
C31B C 0.3580(6) 0.0015(5) 0.8642(6) 0.068(4) Uani 0.602(9) 1 d PDU D 1
C32B C 0.3177(6) 0.0397(6) 0.8564(6) 0.081(5) Uani 0.602(9) 1 d PDU D 1
H32G H 0.2875 0.0313 0.8758 0.121 Uiso 0.602(9) 1 calc PR D 1
H32H H 0.3090 0.0416 0.8206 0.121 Uiso 0.602(9) 1 calc PR D 1
H32I H 0.3306 0.0707 0.8679 0.121 Uiso 0.602(9) 1 calc PR D 1
C33B C 0.3737(4) -0.0064(3) 0.9176(3) 0.060(3) Uani 0.602(9) 1 d PDU D 1
H33G H 0.3444 -0.0166 0.9374 0.090 Uiso 0.602(9) 1 calc PR D 1
H33H H 0.3871 0.0235 0.9315 0.090 Uiso 0.602(9) 1 calc PR D 1
H33I H 0.3997 -0.0312 0.9189 0.090 Uiso 0.602(9) 1 calc PR D 1
C34B C 0.3369(4) -0.0445(3) 0.8422(4) 0.074(3) Uani 0.602(9) 1 d PDU D 1
H34G H 0.3079 -0.0550 0.8621 0.111 Uiso 0.602(9) 1 calc PR D 1
H34H H 0.3630 -0.0694 0.8430 0.111 Uiso 0.602(9) 1 calc PR D 1
H34I H 0.3264 -0.0389 0.8073 0.111 Uiso 0.602(9) 1 calc PR D 1
C31D C 0.3419(7) 0.0113(6) 0.8520(7) 0.049(6) Uani 0.398(9) 1 d PDU D 2
C32D C 0.3051(5) 0.0012(5) 0.8086(6) 0.076(5) Uani 0.398(9) 1 d PDU D 2
H32J H 0.3186 -0.0245 0.7875 0.114 Uiso 0.398(9) 1 calc PR D 2
H32K H 0.3008 0.0302 0.7884 0.114 Uiso 0.398(9) 1 calc PR D 2
H32L H 0.2724 -0.0086 0.8224 0.114 Uiso 0.398(9) 1 calc PR D 2
C33D C 0.3160(6) 0.0529(5) 0.8817(5) 0.029(4) Uani 0.398(9) 1 d PDU D 2
H33J H 0.3386 0.0639 0.9086 0.044 Uiso 0.398(9) 1 calc PR D 2
H33K H 0.2844 0.0415 0.8964 0.044 Uiso 0.398(9) 1 calc PR D 2
H33L H 0.3090 0.0795 0.8586 0.044 Uiso 0.398(9) 1 calc PR D 2
C34D C 0.3366(8) -0.0324(6) 0.8865(7) 0.103(7) Uani 0.398(9) 1 d PDU D 2
H34J H 0.3594 -0.0289 0.9153 0.154 Uiso 0.398(9) 1 calc PR D 2
H34K H 0.3453 -0.0614 0.8677 0.154 Uiso 0.398(9) 1 calc PR D 2
H34L H 0.3017 -0.0346 0.8985 0.154 Uiso 0.398(9) 1 calc PR D 2
C35B C 0.4555(2) 0.42114(14) 0.80570(17) 0.0428(13) Uani 1 1 d . . .
C36B C 0.48884(18) 0.45680(16) 0.78883(16) 0.0435(12) Uani 1 1 d . . .
H36B H 0.5195 0.4483 0.7727 0.052 Uiso 1 1 calc R . .
C37B C 0.4764(3) 0.50437(18) 0.79602(19) 0.0657(18) Uani 1 1 d . . .
C38B C 0.4299(3) 0.51441(19) 0.8191(2) 0.079(2) Uani 1 1 d . E .
H38B H 0.4213 0.5470 0.8245 0.095 Uiso 1 1 calc R . .
C39B C 0.3961(2) 0.47965(18) 0.83435(19) 0.0609(16) Uani 1 1 d D . .
C40B C 0.41115(18) 0.43275(15) 0.82828(17) 0.0408(12) Uani 1 1 d . E .
H40B H 0.3899 0.4078 0.8402 0.049 Uiso 1 1 calc R . .
C41B C 0.5123(3) 0.5446(2) 0.7797(3) 0.094(2) Uani 1 1 d DU . .
C42B C 0.5303(3) 0.5342(2) 0.7268(3) 0.112(2) Uani 1 1 d U . .
H42G H 0.5438 0.5636 0.7117 0.167 Uiso 1 1 calc R . .
H42H H 0.5020 0.5225 0.7065 0.167 Uiso 1 1 calc R . .
H42I H 0.5569 0.5098 0.7279 0.167 Uiso 1 1 calc R . .
C43B C 0.4892(4) 0.5939(2) 0.7839(3) 0.157(4) Uani 1 1 d U . .
H43G H 0.4597 0.5960 0.7618 0.236 Uiso 1 1 calc R . .
H43H H 0.5141 0.6180 0.7739 0.236 Uiso 1 1 calc R . .
H43I H 0.4789 0.5997 0.8188 0.236 Uiso 1 1 calc R . .
C44B C 0.5569(3) 0.5400(3) 0.8164(3) 0.156(4) Uani 1 1 d DU . .
H44G H 0.5818 0.5650 0.8092 0.234 Uiso 1 1 calc R . .
H44H H 0.5726 0.5084 0.8123 0.234 Uiso 1 1 calc R . .
H44I H 0.5448 0.5435 0.8510 0.234 Uiso 1 1 calc R . .
C45B C 0.3558(5) 0.4971(4) 0.8663(5) 0.058(4) Uani 0.562(9) 1 d PDU E 1
C46B C 0.3704(4) 0.5048(3) 0.9216(4) 0.076(4) Uani 0.562(9) 1 d PD E 1
H46D H 0.3408 0.5157 0.9405 0.114 Uiso 0.562(9) 1 calc PR E 1
H46E H 0.3970 0.5290 0.9237 0.114 Uiso 0.562(9) 1 calc PR E 1
H46F H 0.3826 0.4746 0.9359 0.114 Uiso 0.562(9) 1 calc PR E 1
C47B C 0.3151(6) 0.4604(5) 0.8645(7) 0.066(5) Uani 0.562(9) 1 d PDU E 1
H47D H 0.2871 0.4705 0.8861 0.099 Uiso 0.562(9) 1 calc PR E 1
H47E H 0.3283 0.4297 0.8765 0.099 Uiso 0.562(9) 1 calc PR E 1
H47F H 0.3031 0.4569 0.8298 0.099 Uiso 0.562(9) 1 calc PR E 1
C48B C 0.3321(4) 0.5447(4) 0.8457(5) 0.079(4) Uani 0.562(9) 1 d PD E 1
H48D H 0.3049 0.5551 0.8682 0.119 Uiso 0.562(9) 1 calc PR E 1
H48E H 0.3185 0.5392 0.8119 0.119 Uiso 0.562(9) 1 calc PR E 1
H48F H 0.3582 0.5695 0.8443 0.119 Uiso 0.562(9) 1 calc PR E 1
C45D C 0.3356(6) 0.4862(6) 0.8525(6) 0.040(4) Uani 0.438(9) 1 d PDU E 2
C46D C 0.2994(4) 0.4976(4) 0.8069(4) 0.047(4) Uani 0.438(9) 1 d PDU E 2
H46G H 0.3138 0.5236 0.7867 0.070 Uiso 0.438(9) 1 calc PR E 2
H46H H 0.2663 0.5074 0.8198 0.070 Uiso 0.438(9) 1 calc PR E 2
H46I H 0.2955 0.4690 0.7860 0.070 Uiso 0.438(9) 1 calc PR E 2
C47D C 0.3379(5) 0.5320(5) 0.8846(5) 0.059(4) Uani 0.438(9) 1 d PDU E 2
H47G H 0.3519 0.5582 0.8644 0.089 Uiso 0.438(9) 1 calc PR E 2
H47H H 0.3594 0.5265 0.9141 0.089 Uiso 0.438(9) 1 calc PR E 2
H47I H 0.3038 0.5405 0.8957 0.089 Uiso 0.438(9) 1 calc PR E 2
C48D C 0.3114(10) 0.4426(8) 0.8810(9) 0.088(8) Uani 0.438(9) 1 d PDU E 2
H48G H 0.3329 0.4335 0.9094 0.131 Uiso 0.438(9) 1 calc PR E 2
H48H H 0.3081 0.4155 0.8578 0.131 Uiso 0.438(9) 1 calc PR E 2
H48I H 0.2780 0.4517 0.8935 0.131 Uiso 0.438(9) 1 calc PR E 2
C1P C 0.6152(2) 0.15404(16) 1.0173(2) 0.0536(15) Uani 1 1 d . . .
C2P C 0.5911(2) 0.12901(16) 1.0568(2) 0.0531(14) Uani 1 1 d . . .
H2P H 0.6082 0.1222 1.0874 0.064 Uiso 1 1 calc R . .
C3P C 0.5421(2) 0.11493(18) 1.0494(2) 0.0647(17) Uani 1 1 d . . .
H3P H 0.5252 0.0968 1.0745 0.078 Uiso 1 1 calc R . .
C4P C 0.5175(2) 0.12691(18) 1.0058(3) 0.0684(18) Uani 1 1 d . . .
H4P H 0.4834 0.1178 1.0008 0.082 Uiso 1 1 calc R . .
C5P C 0.5437(2) 0.15310(16) 0.9683(2) 0.0585(16) Uani 1 1 d . . .
C6P C 0.61409(19) 0.34735(15) 1.0188(2) 0.0431(13) Uani 1 1 d . . .
C7P C 0.5893(2) 0.37061(17) 1.0581(2) 0.0499(14) Uani 1 1 d . . .
H7P H 0.6067 0.3788 1.0882 0.060 Uiso 1 1 calc R . .
C8P C 0.5391(2) 0.38144(17) 1.0524(2) 0.0538(14) Uani 1 1 d . . .
H8P H 0.5207 0.3959 1.0790 0.065 Uiso 1 1 calc R . .
C9P C 0.5160(2) 0.37112(17) 1.0075(2) 0.0503(14) Uani 1 1 d . . .
H9P H 0.4818 0.3801 1.0021 0.060 Uiso 1 1 calc R . .
C10P C 0.5417(2) 0.34823(17) 0.9710(2) 0.0473(14) Uani 1 1 d . . .
C11P C 0.4827(2) 0.15374(16) 0.6144(2) 0.0520(15) Uani 1 1 d . . .
C12P C 0.4442(2) 0.12890(17) 0.5912(2) 0.0539(14) Uani 1 1 d . . .
H12P H 0.4137 0.1218 0.6084 0.065 Uiso 1 1 calc R . .
C13P C 0.4518(2) 0.11489(17) 0.5419(2) 0.0624(16) Uani 1 1 d . . .
H13P H 0.4267 0.0967 0.5249 0.075 Uiso 1 1 calc R . .
C14P C 0.4951(2) 0.12703(17) 0.5178(2) 0.0660(17) Uani 1 1 d . . .
H14P H 0.5006 0.1176 0.4838 0.079 Uiso 1 1 calc R . .
C16P C 0.4806(2) 0.34726(15) 0.61395(19) 0.0415(13) Uani 1 1 d . . .
C17P C 0.4413(2) 0.37050(17) 0.5900(2) 0.0492(13) Uani 1 1 d . . .
H17P H 0.4116 0.3791 0.6078 0.059 Uiso 1 1 calc R . .
C18P C 0.4465(2) 0.38088(17) 0.5395(2) 0.0552(14) Uani 1 1 d . . .
H18P H 0.4193 0.3946 0.5211 0.066 Uiso 1 1 calc R . .
C19P C 0.4920(2) 0.37101(17) 0.5158(2) 0.0549(15) Uani 1 1 d . . .
H19P H 0.4973 0.3802 0.4817 0.066 Uiso 1 1 calc R . .
Ni1 Ni 0.79569(2) 0.250793(19) 1.004266(19) 0.03772(15) Uani 1 1 d . . .
Ni2 Ni 0.495860(18) 0.250785(19) 0.79570(2) 0.03752(15) Uani 1 1 d . . .
C1G C 0.6885(8) 0.2487(6) 0.3658(8) 0.117(8) Uani 0.50 1 d PGU F -1
C2G C 0.7257(6) 0.2123(9) 0.3702(9) 0.119(8) Uani 0.50 1 d PGU F -1
C3G C 0.7090(8) 0.1720(6) 0.3422(8) 0.125(7) Uani 0.50 1 d PGU F -1
C4G C 0.6615(8) 0.1834(7) 0.3206(6) 0.115(7) Uani 0.50 1 d PGU F -1
C5G C 0.6488(6) 0.2308(7) 0.3352(8) 0.124(6) Uani 0.50 1 d PGU F -1
N4P N 0.52404(15) 0.33506(12) 0.59082(16) 0.0432(10) Uani 1 1 d U . .
C6G C 0.7950(8) 0.2677(6) 0.3782(7) 0.105(7) Uani 0.50 1 d PGU F -1
C7G C 0.7759(7) 0.2203(7) 0.3791(7) 0.122(8) Uani 0.50 1 d PGU F -1
C8G C 0.8085(9) 0.1912(5) 0.3497(7) 0.130(6) Uani 0.50 1 d PGU F -1
C9G C 0.8477(8) 0.2207(8) 0.3307(8) 0.140(10) Uani 0.50 1 d PGU F -1
C10G C 0.8394(8) 0.2680(7) 0.3483(9) 0.131(8) Uani 0.50 1 d PGU F -1
C10A C 0.7991(2) 0.13149(15) 1.02662(17) 0.0449(13) Uani 1 1 d U B .
C11G C 0.7064(6) 0.2948(5) 0.3657(7) 0.080(5) Uani 0.50 1 d PGU F -1
C12G C 0.7592(5) 0.3030(6) 0.3691(6) 0.090(6) Uani 0.50 1 d PGU F -1
C13G C 0.7712(5) 0.3424(7) 0.3377(6) 0.084(5) Uani 0.50 1 d PGU F -1
C14G C 0.7259(7) 0.3587(6) 0.3149(6) 0.094(7) Uani 0.50 1 d PGU F -1
C15G C 0.6858(5) 0.3293(6) 0.3322(7) 0.067(4) Uani 0.50 1 d PGU F -1
C11A C 0.7529(2) 0.15411(17) 1.02425(16) 0.0425(13) Uani 1 1 d U . .
C16G C 0.6449(7) 0.3250(6) 0.2491(6) 0.115(7) Uani 0.50 1 d PGU F -1
C17G C 0.6448(7) 0.3129(6) 0.3011(5) 0.099(6) Uani 0.50 1 d PGU F -1
C18G C 0.6262(8) 0.2655(6) 0.3059(5) 0.108(6) Uani 0.50 1 d PGU F -1
C19G C 0.6147(8) 0.2483(5) 0.2569(7) 0.135(8) Uani 0.50 1 d PGU F -1
C20G C 0.6263(7) 0.2850(7) 0.2218(4) 0.101(6) Uani 0.50 1 d PGU F -1
C4S C 0.5648(3) 0.0080(3) 0.9557(3) 0.121(3) Uani 1 1 d . . .
C21G C 0.7723(9) 0.3729(5) 0.2324(12) 0.108(7) Uani 0.50 1 d PGU F -1
C22G C 0.7274(12) 0.3733(5) 0.2616(7) 0.099(7) Uani 0.50 1 d PGU F -1
C23G C 0.6869(9) 0.3587(8) 0.2302(8) 0.109(8) Uani 0.50 1 d PGU F -1
C24G C 0.7067(9) 0.3492(8) 0.1815(7) 0.106(7) Uani 0.50 1 d PGU F -1
C25G C 0.7595(9) 0.3580(8) 0.1829(9) 0.111(8) Uani 0.50 1 d PGU F -1
C5S C 0.9558(3) 0.0085(3) 0.9347(3) 0.124(3) Uani 1 1 d . . .
C26G C 0.7936(10) 0.1525(9) 0.3208(8) 0.117(9) Uani 0.50 1 d PGU F -1
C27G C 0.7414(9) 0.1425(8) 0.3156(9) 0.118(8) Uani 0.50 1 d PGU F -1
C28G C 0.7326(9) 0.1276(5) 0.2652(11) 0.094(7) Uani 0.50 1 d PGU F -1
C29G C 0.7795(11) 0.1285(6) 0.2393(7) 0.085(6) Uani 0.50 1 d PGU F -1
C30G C 0.8172(8) 0.1438(11) 0.2737(9) 0.104(8) Uani 0.50 1 d PGU F -1
C31G C 0.6800(10) 0.1411(11) 0.2439(9) 0.084(6) Uani 0.50 1 d PU F -1
C32G C 0.6488(14) 0.1707(10) 0.2703(11) 0.113(7) Uani 0.50 1 d PU F -1
C33G C 0.6247(11) 0.2023(11) 0.2382(12) 0.132(8) Uani 0.50 1 d PU F -1
C34G C 0.6476(7) 0.1988(8) 0.1815(7) 0.083(5) Uani 0.50 1 d PU F -1
C35G C 0.6832(8) 0.1576(10) 0.1904(9) 0.085(6) Uani 0.50 1 d PU F -1
C9A C 0.8419(2) 0.15515(18) 1.01253(18) 0.0464(13) Uani 1 1 d U . .
C36G C 0.8160(6) 0.3594(6) 0.2579(7) 0.086(7) Uani 0.50 1 d PGU F -1
C37G C 0.8205(7) 0.3409(8) 0.3075(6) 0.096(6) Uani 0.50 1 d PGU F -1
C38G C 0.8567(8) 0.3035(7) 0.3067(6) 0.123(7) Uani 0.50 1 d PGU F -1
C39G C 0.8746(7) 0.2989(6) 0.2565(8) 0.139(8) Uani 0.50 1 d PGU F -1
C40G C 0.8494(7) 0.3334(6) 0.2264(6) 0.090(6) Uani 0.50 1 d PGU F -1
C20A C 0.80013(19) 0.36967(15) 1.02862(16) 0.0361(12) Uani 1 1 d U . .
C41G C 0.8504(7) 0.2632(7) 0.1587(8) 0.126(6) Uani 0.50 1 d PGU F -1
C42G C 0.8400(8) 0.3101(7) 0.1766(7) 0.140(8) Uani 0.50 1 d PGU F -1
C43G C 0.7926(9) 0.3245(7) 0.1566(9) 0.155(9) Uani 0.50 1 d PGU F -1
C44G C 0.7738(7) 0.2865(9) 0.1264(8) 0.124(8) Uani 0.50 1 d PGU F -1
C45G C 0.8095(9) 0.2487(7) 0.1277(7) 0.123(8) Uani 0.50 1 d PGU F -1
C21A C 0.80282(19) 0.08051(16) 1.04168(19) 0.0445(13) Uani 1 1 d U . .
C46G C 0.6918(9) 0.3152(4) 0.1527(6) 0.127(6) Uani 0.50 1 d PGU F -1
C47G C 0.6500(7) 0.2881(7) 0.1701(5) 0.095(6) Uani 0.50 1 d PGU F -1
C48G C 0.6574(6) 0.2398(6) 0.1552(6) 0.106(6) Uani 0.50 1 d PGU F -1
C49G C 0.7038(7) 0.2371(6) 0.1286(6) 0.086(6) Uani 0.50 1 d PGU F -1
C50G C 0.7250(6) 0.2837(7) 0.1271(6) 0.114(8) Uani 0.50 1 d PGU F -1
C19A C 0.75245(19) 0.34761(14) 1.02457(15) 0.0344(11) Uani 1 1 d U . .
C51G C 0.7903(7) 0.2067(6) 0.1311(7) 0.097(6) Uani 0.50 1 d PGU F -1
C52G C 0.8129(4) 0.1730(8) 0.1641(7) 0.093(6) Uani 0.50 1 d PGU F -1
C53G C 0.7742(7) 0.1433(6) 0.1838(5) 0.071(5) Uani 0.50 1 d PGU F -1
C54G C 0.7276(5) 0.1588(6) 0.1630(5) 0.071(5) Uani 0.50 1 d PGU F -1
C55G C 0.7375(6) 0.1980(5) 0.1304(5) 0.075(5) Uani 0.50 1 d PGU F -1
C20P C 0.5290(2) 0.34805(17) 0.5418(2) 0.0504(14) Uani 1 1 d U . .
C56G C 0.8531(11) 0.1720(7) 0.2528(8) 0.131(9) Uani 0.50 1 d PGU F -1
C57G C 0.8526(8) 0.1868(8) 0.2017(7) 0.116(8) Uani 0.50 1 d PGU F -1
C58G C 0.8695(9) 0.2350(8) 0.1997(8) 0.142(7) Uani 0.50 1 d PGU F -1
C59G C 0.8805(9) 0.2500(7) 0.2496(10) 0.150(9) Uani 0.50 1 d PGU F -1
C60G C 0.8703(11) 0.2111(9) 0.2825(6) 0.124(8) Uani 0.50 1 d PGU F -1
C15P C 0.5310(2) 0.15341(15) 0.5435(2) 0.0547(16) Uani 1 1 d . . .
C1F C 0.3697(6) 0.1983(6) 0.7397(6) 0.085(6) Uani 0.50 1 d PGU G -1
C2F C 0.3686(8) 0.2070(6) 0.7923(7) 0.109(7) Uani 0.50 1 d PGU G -1
C3F C 0.3356(8) 0.1731(8) 0.8147(5) 0.085(6) Uani 0.50 1 d PGU G -1
C4F C 0.3161(6) 0.1435(6) 0.7758(7) 0.073(5) Uani 0.50 1 d PGU G -1
C5F C 0.3372(6) 0.1590(6) 0.7295(5) 0.075(5) Uani 0.50 1 d PGU G -1
C56F C 0.1641(7) 0.3420(9) 0.7736(8) 0.081(5) Uani 0.50 1 d PU G -1
C6F C 0.3729(7) 0.2796(7) 0.7250(7) 0.110(8) Uani 0.50 1 d PGU G -1
C7F C 0.3707(7) 0.2326(6) 0.7048(8) 0.099(7) Uani 0.50 1 d PGU G -1
C8F C 0.3446(7) 0.2349(7) 0.6581(7) 0.125(8) Uani 0.50 1 d PGU G -1
C9F C 0.3308(7) 0.2832(8) 0.6494(7) 0.129(8) Uani 0.50 1 d PGU G -1
C10F C 0.3483(7) 0.3109(5) 0.6908(10) 0.130(6) Uani 0.50 1 d PGU G -1
C57F C 0.1851(11) 0.3608(11) 0.7275(9) 0.092(7) Uani 0.50 1 d PU G -1
C11F C 0.3127(6) 0.1972(7) 0.6468(8) 0.116(7) Uani 0.50 1 d PGU G -1
C12F C 0.3095(6) 0.1577(8) 0.6803(6) 0.094(6) Uani 0.50 1 d PGU G -1
C13F C 0.2584(7) 0.1426(7) 0.6821(6) 0.083(6) Uani 0.50 1 d PGU G -1
C14F C 0.2300(5) 0.1727(7) 0.6497(8) 0.091(6) Uani 0.50 1 d PGU G -1
C15F C 0.2635(8) 0.2065(6) 0.6279(7) 0.126(7) Uani 0.50 1 d PGU G -1
C58F C 0.1696(9) 0.3298(7) 0.6853(8) 0.076(5) Uani 0.50 1 d PU G -1
C16F C 0.2609(7) 0.1280(5) 0.7805(11) 0.089(6) Uani 0.50 1 d PGU G -1
C17F C 0.2272(9) 0.1445(9) 0.8182(8) 0.119(8) Uani 0.50 1 d PGU G -1
C18F C 0.1798(8) 0.1534(8) 0.7950(9) 0.117(8) Uani 0.50 1 d PGU G -1
C19F C 0.1842(8) 0.1424(7) 0.7430(8) 0.100(7) Uani 0.50 1 d PGU G -1
C20F C 0.2344(9) 0.1267(4) 0.7340(9) 0.090(7) Uani 0.50 1 d PGU G -1
C59F C 0.1322(9) 0.2933(7) 0.7039(8) 0.078(5) Uani 0.50 1 d PU G -1
C21F C 0.2970(7) 0.2358(8) 0.8699(10) 0.159(8) Uani 0.50 1 d PGU G -1
C22F C 0.2970(7) 0.1877(8) 0.8525(8) 0.125(8) Uani 0.50 1 d PGU G -1
C23F C 0.2468(9) 0.1701(7) 0.8557(10) 0.140(9) Uani 0.50 1 d PGU G -1
C24F C 0.2159(6) 0.2072(10) 0.8750(9) 0.147(8) Uani 0.50 1 d PGU G -1
C25F C 0.2469(8) 0.2478(8) 0.8838(9) 0.156(9) Uani 0.50 1 d PGU G -1
Cl15 Cl 0.95816(10) -0.04980(8) 0.90804(8) 0.1468(9) Uani 1 1 d . . .
C26F C 0.1707(7) 0.2133(8) 0.8466(7) 0.111(8) Uani 0.50 1 d PGU G -1
C27F C 0.1511(7) 0.1855(5) 0.8063(8) 0.129(6) Uani 0.50 1 d PGU G -1
C28F C 0.1217(8) 0.2161(7) 0.7753(6) 0.111(7) Uani 0.50 1 d PGU G -1
C29F C 0.1231(8) 0.2628(6) 0.7964(7) 0.097(6) Uani 0.50 1 d PGU G -1
C30F C 0.1535(8) 0.2610(7) 0.8405(7) 0.133(8) Uani 0.50 1 d PGU G -1
Cl14 Cl 0.93108(7) 0.00680(5) 0.99225(7) 0.0973(6) Uani 1 1 d . . .
C31F C 0.2701(6) 0.3260(8) 0.8514(9) 0.115(7) Uani 0.50 1 d PGU G -1
C32F C 0.2424(7) 0.3545(7) 0.8168(7) 0.094(6) Uani 0.50 1 d PGU G -1
C33F C 0.1912(6) 0.3398(7) 0.8185(7) 0.100(6) Uani 0.50 1 d PGU G -1
C34F C 0.1872(6) 0.3021(6) 0.8542(7) 0.101(6) Uani 0.50 1 d PGU G -1
C35F C 0.2359(8) 0.2936(7) 0.8745(8) 0.146(8) Uani 0.50 1 d PGU G -1
Cl10 Cl 0.50783(7) 0.00684(5) 0.93101(7) 0.0972(6) Uani 1 1 d . . .
C36F C 0.1994(6) 0.3157(6) 0.6460(6) 0.096(6) Uani 0.50 1 d PGU G -1
C37F C 0.1959(6) 0.2678(7) 0.6284(7) 0.119(6) Uani 0.50 1 d PGU G -1
C38F C 0.2455(9) 0.2515(7) 0.6177(6) 0.134(8) Uani 0.50 1 d PGU G -1
C39F C 0.2796(5) 0.2892(9) 0.6287(8) 0.138(8) Uani 0.50 1 d PGU G -1
C40F C 0.2511(7) 0.3289(7) 0.6462(9) 0.131(8) Uani 0.50 1 d PGU G -1
Cl11 Cl 0.60833(8) 0.04762(8) 0.92675(11) 0.1521(9) Uani 1 1 d . . .
C41F C 0.3164(11) 0.3562(11) 0.7579(11) 0.128(9) Uani 0.50 1 d PGU G -1
C42F C 0.2666(13) 0.3715(6) 0.7694(9) 0.107(7) Uani 0.50 1 d PGU G -1
C43F C 0.2391(9) 0.3744(6) 0.7236(12) 0.096(7) Uani 0.50 1 d PGU G -1
C44F C 0.2719(9) 0.3608(10) 0.6838(9) 0.114(8) Uani 0.50 1 d PGU G -1
C45F C 0.3197(8) 0.3496(9) 0.7050(12) 0.118(8) Uani 0.50 1 d PGU G -1
Cl12 Cl 0.59201(8) -0.04992(9) 0.95825(10) 0.1495(9) Uani 1 1 d . . .
C46F C 0.3708(8) 0.2909(10) 0.7717(7) 0.104(8) Uani 0.50 1 d PGU G -1
C47F C 0.3412(9) 0.3284(7) 0.7924(10) 0.143(9) Uani 0.50 1 d PGU G -1
C48F C 0.3230(8) 0.3129(7) 0.8400(8) 0.143(9) Uani 0.50 1 d PGU G -1
C49F C 0.3414(7) 0.2659(7) 0.8487(7) 0.136(7) Uani 0.50 1 d PGU G -1
C50F C 0.3710(7) 0.2523(7) 0.8064(9) 0.116(7) Uani 0.50 1 d PGU G -1
Cl13 Cl 0.92685(11) 0.04738(8) 0.89163(8) 0.1515(10) Uani 1 1 d . . .
C51F C 0.1814(6) 0.1839(6) 0.6596(7) 0.099(7) Uani 0.50 1 d PGU G -1
C52F C 0.1596(8) 0.1721(6) 0.7069(8) 0.110(7) Uani 0.50 1 d PGU G -1
C53F C 0.1297(7) 0.2115(8) 0.7227(6) 0.114(7) Uani 0.50 1 d PGU G -1
C54F C 0.1331(7) 0.2477(6) 0.6853(7) 0.121(8) Uani 0.50 1 d PGU G -1
C55F C 0.1650(7) 0.2306(7) 0.6463(6) 0.118(6) Uani 0.50 1 d PGU G -1
C60F C 0.1300(7) 0.3049(7) 0.7643(7) 0.079(5) Uani 0.50 1 d PU G -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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_3
C18E C1E C2E 115.5(18) .
C18E C1E C5E 128.5(16) .
C2E C1E C5E 108.0 .
C3E C2E C1E 108.0 .
C3E C2E C9E 121(2) .
C1E C2E C9E 118.8(19) .
C2E C3E C4E 108.0 .
C2E C3E C12E 133(3) .
C4E C3E C12E 104(2) .
C5E C4E C3E 108.0 .
C5E C4E C30E 118(2) .
C3E C4E C30E 123(3) .
C21E C5E C4E 122.1(14) .
C21E C5E C1E 122.5(14) .
C4E C5E C1E 108.0 .
C4A N1A C1A 105.1(4) .
C4A N1A Ni1 126.0(3) .
C1A N1A Ni1 128.9(4) .
C44E C6E C10E 123(2) .
C44E C6E C7E 120(2) .
C10E C6E C7E 108.0 .
C37E C7E C8E 121(2) .
C37E C7E C6E 113(3) .
C8E C7E C6E 108.0 .
C7E C8E C9E 108.0 .
C7E C8E C13E 126(2) .
C9E C8E C13E 111.3(18) .
C10E C9E C8E 108.0 .
C10E C9E C2E 122.1(15) .
C8E C9E C2E 118.0(14) .
C17E C10E C9E 114.8(16) .
C17E C10E C6E 123(2) .
C9E C10E C6E 108.0 .
C6A N2A C9A 106.4(4) .
C6A N2A Ni1 125.9(3) .
C9A N2A Ni1 127.7(3) .
C15E C11E C12E 108.0 .
C15E C11E C29E 129(3) .
C12E C11E C29E 99(3) .
C13E C12E C11E 108.0 .
C13E C12E C3E 95(2) .
C11E C12E C3E 144(2) .
C14E C13E C12E 108.0 .
C14E C13E C8E 104(2) .
C12E C13E C8E 141(2) .
C13E C14E C15E 108.0 .
C13E C14E C36E 128(2) .
C15E C14E C36E 113(2) .
C11E C15E C14E 108.0 .
C11E C15E C46E 95(2) .
C14E C15E C46E 134(2) .
C14A N3A C11A 106.5(4) .
C14A N3A Ni1 126.0(3) .
C11A N3A Ni1 127.3(3) .
C17E C16E C20E 108.0 .
C17E C16E C45E 117.3(14) .
C20E C16E C45E 124.3(15) .
C10E C17E C16E 119.3(14) .
C10E C17E C18E 124.9(13) .
C16E C17E C18E 108.0 .
C1E C18E C17E 122.7(14) .
C1E C18E C19E 115.1(14) .
C17E C18E C19E 108.0 .
C20E C19E C18E 108.0 .
C20E C19E C22E 121(2) .
C18E C19E C22E 116.0(17) .
C19E C20E C16E 108.0 .
C19E C20E C58E 120.4(15) .
C16E C20E C58E 112.6(16) .
C16A N4A C19A 104.2(4) .
C16A N4A Ni1 125.8(3) .
C19A N4A Ni1 129.8(3) .
C5E C21E C25E 121.0(16) .
C5E C21E C22E 113.2(16) .
C25E C21E C22E 108.0 .
C21E C22E C23E 108.0 .
C21E C22E C19E 125(2) .
C23E C22E C19E 113(3) .
C22E C23E C24E 108.0 .
C22E C23E C57E 127(3) .
C24E C23E C57E 110(3) .
C54E C24E C25E 123(3) .
C54E C24E C23E 121(3) .
C25E C24E C23E 108.0 .
C26E C25E C24E 130(3) .
C26E C25E C21E 115(3) .
C24E C25E C21E 108.0 .
C1B N1B C4B 104.3(4) .
C1B N1B Ni2 128.7(3) .
C4B N1B Ni2 126.9(3) .
C25E C26E C30E 124(4) .
C25E C26E C27E 106(3) .
C30E C26E C27E 108.0 .
C28E C27E C26E 108.0 .
C28E C27E C53E 112(3) .
C26E C27E C53E 129(3) .
C50E C28E C29E 123(3) .
C50E C28E C27E 124(3) .
C29E C28E C27E 108.0 .
C28E C29E C30E 108.0 .
C28E C29E C11E 119(3) .
C30E C29E C11E 128(4) .
C26E C30E C29E 108.0 .
C26E C30E C4E 115(3) .
C29E C30E C4E 120(3) .
C9B N2B C6B 106.7(4) .
C9B N2B Ni2 128.1(3) .
C6B N2B Ni2 125.3(3) .
C35E C31E C32E 108.0 .
C35E C31E C48E 124(4) .
C32E C31E C48E 118(4) .
C39E C32E C31E 115(3) .
C39E C32E C33E 121(3) .
C31E C32E C33E 108.0 .
C34E C33E C32E 108.0 .
C34E C33E C42E 116(3) .
C32E C33E C42E 118(3) .
C33E C34E C35E 108.0 .
C33E C34E C60E 124(3) .
C35E C34E C60E 114(3) .
C31E C35E C34E 108.0 .
C31E C35E C51E 112(4) .
C34E C35E C51E 133(4) .
C14B N3B C11B 105.0(4) .
C14B N3B Ni2 125.7(3) .
C11B N3B Ni2 129.0(3) .
C37E C36E C40E 108.0 .
C37E C36E C14E 120(2) .
C40E C36E C14E 120(2) .
C7E C37E C38E 132(3) .
C7E C37E C36E 116(2) .
C38E C37E C36E 108.0 .
C43E C38E C37E 109(3) .
C43E C38E C39E 141(3) .
C37E C38E C39E 108.0 .
C32E C39E C38E 111(3) .
C32E C39E C40E 129(3) .
C38E C39E C40E 108.0 .
C39E C40E C36E 108.0 .
C39E C40E C47E 117(2) .
C36E C40E C47E 113.7(19) .
C16B N4B C19B 104.3(4) .
C16B N4B Ni2 127.2(3) .
C19B N4B Ni2 128.4(3) .
C42E C41E C45E 108.0 .
C42E C41E C59E 125(2) .
C45E C41E C59E 115.9(19) .
C41E C42E C43E 108.0 .
C41E C42E C33E 117(3) .
C43E C42E C33E 124(3) .
C38E C43E C44E 122(2) .
C38E C43E C42E 104(2) .
C44E C43E C42E 108.0 .
C6E C44E C43E 121(2) .
C6E C44E C45E 115(2) .
C43E C44E C45E 108.0 .
C44E C45E C41E 108.0 .
C44E C45E C16E 121.0(14) .
C41E C45E C16E 120.5(13) .
C1P N1P C5P 118.3(5) .
C50E C46E C47E 108.0 .
C50E C46E C15E 146(2) .
C47E C46E C15E 97(2) .
C48E C47E C46E 108.0 .
C48E C47E C40E 110(2) .
C46E C47E C40E 134(2) .
C47E C48E C49E 108.0 .
C47E C48E C31E 129(3) .
C49E C48E C31E 112(3) .
C52E C49E C48E 133(3) .
C52E C49E C50E 104(3) .
C48E C49E C50E 108.0 .
C28E C50E C49E 128(3) .
C28E C50E C46E 105(3) .
C49E C50E C46E 108.0 .
C6P N2P C10P 116.8(4) .
C52E C51E C55E 108.0 .
C52E C51E C35E 132(3) .
C55E C51E C35E 106(3) .
C49E C52E C51E 105(3) .
C49E C52E C53E 132(3) .
C51E C52E C53E 108.0 .
C52E C53E C54E 108.0 .
C52E C53E C27E 118(3) .
C54E C53E C27E 120(3) .
C24E C54E C55E 126(3) .
C24E C54E C53E 112(3) .
C55E C54E C53E 108.0 .
C56E C55E C54E 115(2) .
C56E C55E C51E 127(2) .
C54E C55E C51E 108.0 .
C11P N3P C15P 117.3(5) .
C55E C56E C60E 121.5(17) .
C55E C56E C57E 119.0(14) .
C60E C56E C57E 108.0 .
C58E C57E C56E 108.0 .
C58E C57E C23E 115(2) .
C56E C57E C23E 128(2) .
C57E C58E C59E 108.0 .
C57E C58E C20E 122.2(13) .
C59E C58E C20E 122.7(13) .
C60E C59E C58E 108.0 .
C60E C59E C41E 117(2) .
C58E C59E C41E 123.1(19) .
C59E C60E C56E 108.0 .
C59E C60E C34E 121(3) .
C56E C60E C34E 119(2) .
N1A C1A C2A 111.7(4) .
N1A C1A C20A 123.7(4) .
C2A C1A C20A 123.7(4) .
C3A C2A C1A 106.7(4) .
C3A C2A H2A 126.7 .
C1A C2A H2A 126.7 .
C2A C3A C4A 107.2(4) .
C2A C3A C20P 127.4(5) 2_656
C4A C3A C20P 125.2(5) 2_656
N1A C4A C5A 124.6(4) .
N1A C4A C3A 109.4(4) .
C5A C4A C3A 124.3(5) .
C4A C5A C6A 122.0(4) .
C4A C5A H5A 119.0 .
C6A C5A H5A 119.0 .
N2A C6A C5A 125.7(4) .
N2A C6A C7A 110.9(4) .
C5A C6A C7A 122.9(5) .
C8A C7A C6A 104.7(5) .
C8A C7A C15P 127.5(5) 2_656
C6A C7A C15P 127.4(4) 2_656
C7A C8A C9A 109.1(5) .
C7A C8A H8A 125.5 .
C9A C8A H8A 125.5 .
C13A C12A C11A 108.6(4) .
C13A C12A H12A 125.7 .
C11A C12A H12A 125.7 .
C12A C13A C14A 107.3(4) .
C12A C13A C1P 127.0(4) .
C14A C13A C1P 125.7(4) .
C15A C14A N3A 126.0(4) .
C15A C14A C13A 125.1(5) .
N3A C14A C13A 108.3(4) .
C14A C15A C16A 121.4(4) .
C14A C15A H15A 119.3 .
C16A C15A H15A 119.3 .
N4A C16A C15A 126.6(4) .
N4A C16A C17A 111.8(4) .
C15A C16A C17A 120.8(5) .
C18A C17A C6P 128.0(4) .
C18A C17A C16A 104.3(4) .
C6P C17A C16A 127.7(4) .
C17A C18A C19A 107.3(4) .
C17A C18A H18A 126.3 .
C19A C18A H18A 126.3 .
C23A C22A C21A 119.3(5) .
C23A C22A H22A 120.3 .
C21A C22A H22A 120.3 .
C22A C23A C24A 118.9(5) .
C22A C23A C27A 119.4(7) .
C24A C23A C27A 121.6(7) .
C25A C24A C23A 125.0(5) .
C25A C24A H24A 117.5 .
C23A C24A H24A 117.5 .
C24A C25A C26A 114.7(6) .
C24A C25A C31A 118.6(7) .
C26A C25A C31A 125.9(7) .
C24A C25A C31C 129.5(8) .
C26A C25A C31C 114.7(8) .
C31A C25A C31C 21.1(7) .
C21A C26A C25A 122.2(5) .
C21A C26A H26A 118.9 .
C25A C26A H26A 118.9 .
C28A C27A C30A 111.1(11) .
C28A C27A C23A 114.2(7) .
C30A C27A C23A 106.1(8) .
C28A C27A C29A 113.2(9) .
C30A C27A C29A 102.2(8) .
C23A C27A C29A 109.1(9) .
C27A C28A H28A 109.5 .
C27A C28A H28B 109.5 .
H28A C28A H28B 109.5 .
C27A C28A H28C 109.5 .
H28A C28A H28C 109.5 .
H28B C28A H28C 109.5 .
C27A C29A H29A 109.5 .
C27A C29A H29B 109.5 .
H29A C29A H29B 109.5 .
C27A C29A H29C 109.5 .
H29A C29A H29C 109.5 .
H29B C29A H29C 109.5 .
C27A C30A H30A 109.5 .
C27A C30A H30B 109.5 .
H30A C30A H30B 109.5 .
C27A C30A H30C 109.5 .
H30A C30A H30C 109.5 .
H30B C30A H30C 109.5 .
C25A C31A C32A 112.1(9) .
C25A C31A C34A 113.0(8) .
C32A C31A C34A 108.0(8) .
C25A C31A C33A 106.6(8) .
C32A C31A C33A 111.1(9) .
C34A C31A C33A 105.8(10) .
C31A C32A H32A 109.5 .
C31A C32A H32B 109.5 .
H32A C32A H32B 109.5 .
C31A C32A H32C 109.5 .
H32A C32A H32C 109.5 .
H32B C32A H32C 109.5 .
C31A C33A H33A 109.5 .
C31A C33A H33B 109.5 .
H33A C33A H33B 109.5 .
C31A C33A H33C 109.5 .
H33A C33A H33C 109.5 .
H33B C33A H33C 109.5 .
C31A C34A H34A 109.5 .
C31A C34A H34B 109.5 .
H34A C34A H34B 109.5 .
C31A C34A H34C 109.5 .
H34A C34A H34C 109.5 .
H34B C34A H34C 109.5 .
C32C C31C C34C 109.8(12) .
C32C C31C C33C 109.6(13) .
C34C C31C C33C 108.7(13) .
C32C C31C C25A 111.3(11) .
C34C C31C C25A 112.2(12) .
C33C C31C C25A 105.0(11) .
C31C C32C H32D 109.5 .
C31C C32C H32E 109.5 .
H32D C32C H32E 109.5 .
C31C C32C H32F 109.5 .
H32D C32C H32F 109.5 .
H32E C32C H32F 109.5 .
C31C C33C H33D 109.5 .
C31C C33C H33E 109.5 .
H33D C33C H33E 109.5 .
C31C C33C H33F 109.5 .
H33D C33C H33F 109.5 .
H33E C33C H33F 109.5 .
C31C C34C H34D 109.5 .
C31C C34C H34E 109.5 .
H34D C34C H34E 109.5 .
C31C C34C H34F 109.5 .
H34D C34C H34F 109.5 .
H34E C34C H34F 109.5 .
C36A C35A C40A 121.3(4) .
C36A C35A C20A 120.4(4) .
C40A C35A C20A 118.2(4) .
C35A C36A C37A 120.5(5) .
C35A C36A H36A 119.7 .
C37A C36A H36A 119.7 .
C36A C37A C38A 118.5(5) .
C36A C37A C41A 125.6(6) .
C38A C37A C41A 114.4(6) .
C36A C37A C41C 114.8(7) .
C38A C37A C41C 125.9(7) .
C41A C37A C41C 23.8(6) .
C37A C38A C39A 122.5(5) .
C37A C38A H38A 118.7 .
C39A C38A H38A 118.7 .
C40A C39A C38A 117.6(5) .
C40A C39A C45A 120.1(6) .
C38A C39A C45A 122.3(6) .
C39A C40A C35A 119.5(5) .
C39A C40A H40A 120.2 .
C35A C40A H40A 120.2 .
C37A C41A C43A 113.3(9) .
C37A C41A C42A 110.4(8) .
C43A C41A C42A 106.3(9) .
C37A C41A C44A 110.9(8) .
C43A C41A C44A 108.0(8) .
C42A C41A C44A 107.6(10) .
C41A C42A H42A 109.5 .
C41A C42A H42B 109.5 .
H42A C42A H42B 109.5 .
C41A C42A H42C 109.5 .
H42A C42A H42C 109.5 .
H42B C42A H42C 109.5 .
C41A C43A H43A 109.5 .
C41A C43A H43B 109.5 .
H43A C43A H43B 109.5 .
C41A C43A H43C 109.5 .
H43A C43A H43C 109.5 .
H43B C43A H43C 109.5 .
C41A C44A H44A 109.5 .
C41A C44A H44B 109.5 .
H44A C44A H44B 109.5 .
C41A C44A H44C 109.5 .
H44A C44A H44C 109.5 .
H44B C44A H44C 109.5 .
C43C C41C C44C 113.6(13) .
C43C C41C C42C 109.1(11) .
C44C C41C C42C 111.1(13) .
C43C C41C C37A 103.6(10) .
C44C C41C C37A 108.3(12) .
C42C C41C C37A 110.9(10) .
C41C C42C H42D 109.5 .
C41C C42C H42E 109.5 .
H42D C42C H42E 109.5 .
C41C C42C H42F 109.5 .
H42D C42C H42F 109.5 .
H42E C42C H42F 109.5 .
C41C C43C H43D 109.5 .
C41C C43C H43E 109.5 .
H43D C43C H43E 109.5 .
C41C C43C H43F 109.5 .
H43D C43C H43F 109.5 .
H43E C43C H43F 109.5 .
C41C C44C H44D 109.5 .
C41C C44C H44E 109.5 .
H44D C44C H44E 109.5 .
C41C C44C H44F 109.5 .
H44D C44C H44F 109.5 .
H44E C44C H44F 109.5 .
C48A C45A C47A 109.9(7) .
C48A C45A C46A 109.2(6) .
C47A C45A C46A 111.2(6) .
C48A C45A C39A 105.4(5) .
C47A C45A C39A 109.7(5) .
C46A C45A C39A 111.2(7) .
C45A C46A H46A 109.5 .
C45A C46A H46B 109.5 .
H46A C46A H46B 109.5 .
C45A C46A H46C 109.5 .
H46A C46A H46C 109.5 .
H46B C46A H46C 109.5 .
C45A C47A H47A 109.5 .
C45A C47A H47B 109.5 .
H47A C47A H47B 109.5 .
C45A C47A H47C 109.5 .
H47A C47A H47C 109.5 .
H47B C47A H47C 109.5 .
C45A C48A H48A 109.5 .
C45A C48A H48B 109.5 .
H48A C48A H48B 109.5 .
C45A C48A H48C 109.5 .
H48A C48A H48C 109.5 .
H48B C48A H48C 109.5 .
N1B C1B C20B 124.3(4) .
N1B C1B C2B 111.2(4) .
C20B C1B C2B 123.5(4) .
C3B C2B C1B 107.5(4) .
C3B C2B H2B 126.2 .
C1B C2B H2B 126.2 .
C2B C3B C4B 105.9(4) .
C2B C3B C10P 127.2(5) .
C4B C3B C10P 126.8(5) .
C5B C4B N1B 123.0(4) .
C5B C4B C3B 124.5(5) .
N1B C4B C3B 111.0(4) .
C6B C5B C4B 123.5(4) .
C6B C5B H5B 118.3 .
C4B C5B H5B 118.3 .
C5B C6B N2B 125.4(4) .
C5B C6B C7B 125.3(5) .
N2B C6B C7B 109.0(4) .
C8B C7B C6B 106.9(5) .
C8B C7B C5P 127.4(5) .
C6B C7B C5P 125.6(4) .
C7B C8B C9B 107.8(5) .
C7B C8B H8B 126.1 .
C9B C8B H8B 126.1 .
N2B C9B C10B 126.3(5) .
N2B C9B C8B 109.5(4) .
C10B C9B C8B 123.2(5) .
C11B C10B C9B 120.1(4) .
C11B C10B C21B 121.6(4) .
C9B C10B C21B 118.2(5) .
C10B C11B N3B 124.1(5) .
C10B C11B C12B 125.4(4) .
N3B C11B C12B 110.3(4) .
C13B C12B C11B 108.4(4) .
C13B C12B H12B 125.8 .
C11B C12B H12B 125.8 .
C12B C13B C14B 107.2(4) .
C12B C13B C11P 126.1(4) .
C14B C13B C11P 126.7(4) .
C15B C14B N3B 125.9(4) .
C15B C14B C13B 124.6(5) .
N3B C14B C13B 108.8(4) .
C14B C15B C16B 123.1(4) .
C14B C15B H15B 118.4 .
C16B C15B H15B 118.4 .
N4B C16B C15B 123.8(4) .
N4B C16B C17B 111.9(4) .
C15B C16B C17B 123.4(5) .
C18B C17B C16B 105.0(4) .
C18B C17B C16P 128.0(4) .
C16B C17B C16P 127.0(4) .
C17B C18B C19B 107.6(4) .
C17B C18B H18B 126.2 .
C19B C18B H18B 126.2 .
N4B C19B C20B 123.7(4) .
N4B C19B C18B 111.1(4) .
C20B C19B C18B 125.1(4) .
C1B C20B C19B 121.8(4) .
C1B C20B C35B 117.1(4) .
C19B C20B C35B 121.0(4) .
C26B C21B C22B 119.9(5) .
C26B C21B C10B 120.4(5) .
C22B C21B C10B 119.5(5) .
C23B C22B C21B 120.1(6) .
C23B C22B H22B 119.9 .
C21B C22B H22B 119.9 .
C22B C23B C24B 119.6(5) .
C22B C23B C27B 120.3(7) .
C24B C23B C27B 120.1(7) .
C23B C24B C25B 122.9(5) .
C23B C24B H24B 118.6 .
C25B C24B H24B 118.6 .
C24B C25B C26B 116.1(6) .
C24B C25B C31B 117.0(8) .
C26B C25B C31B 126.1(8) .
C24B C25B C31D 128.5(8) .
C26B C25B C31D 114.5(8) .
C31B C25B C31D 21.5(8) .
C21B C26B C25B 121.4(5) .
C21B C26B H26B 119.3 .
C25B C26B H26B 119.3 .
C28B C27B C30B 114.4(9) .
C28B C27B C23B 115.1(7) .
C30B C27B C23B 109.6(9) .
C28B C27B C29B 108.2(11) .
C30B C27B C29B 101.6(8) .
C23B C27B C29B 106.8(8) .
C27B C28B H28D 109.5 .
C27B C28B H28E 109.5 .
H28D C28B H28E 109.5 .
C27B C28B H28F 109.5 .
H28D C28B H28F 109.5 .
H28E C28B H28F 109.5 .
C27B C29B H29D 109.5 .
C27B C29B H29E 109.5 .
H29D C29B H29E 109.5 .
C27B C29B H29F 109.5 .
H29D C29B H29F 109.5 .
H29E C29B H29F 109.5 .
C27B C30B H30D 109.5 .
C27B C30B H30E 109.5 .
H30D C30B H30E 109.5 .
C27B C30B H30F 109.5 .
H30D C30B H30F 109.5 .
H30E C30B H30F 109.5 .
C25B C31B C33B 112.2(11) .
C25B C31B C34B 110.1(11) .
C33B C31B C34B 110.0(11) .
C25B C31B C32B 102.5(11) .
C33B C31B C32B 115.2(13) .
C34B C31B C32B 106.5(12) .
C31B C32B H32G 109.5 .
C31B C32B H32H 109.5 .
H32G C32B H32H 109.5 .
C31B C32B H32I 109.5 .
H32G C32B H32I 109.5 .
H32H C32B H32I 109.5 .
C31B C33B H33G 109.5 .
C31B C33B H33H 109.5 .
H33G C33B H33H 109.5 .
C31B C33B H33I 109.5 .
H33G C33B H33I 109.5 .
H33H C33B H33I 109.5 .
C31B C34B H34G 109.5 .
C31B C34B H34H 109.5 .
H34G C34B H34H 109.5 .
C31B C34B H34I 109.5 .
H34G C34B H34I 109.5 .
H34H C34B H34I 109.5 .
C34D C31D C32D 104.1(14) .
C34D C31D C33D 104.5(14) .
C32D C31D C33D 103.7(14) .
C34D C31D C25B 112.4(14) .
C32D C31D C25B 112.9(12) .
C33D C31D C25B 117.9(12) .
C31D C32D H32J 109.5 .
C31D C32D H32K 109.5 .
H32J C32D H32K 109.5 .
C31D C32D H32L 109.5 .
H32J C32D H32L 109.5 .
H32K C32D H32L 109.5 .
C31D C33D H33J 109.5 .
C31D C33D H33K 109.5 .
H33J C33D H33K 109.5 .
C31D C33D H33L 109.5 .
H33J C33D H33L 109.5 .
H33K C33D H33L 109.5 .
C31D C34D H34J 109.5 .
C31D C34D H34K 109.5 .
H34J C34D H34K 109.5 .
C31D C34D H34L 109.5 .
H34J C34D H34L 109.5 .
H34K C34D H34L 109.5 .
C40B C35B C36B 121.1(4) .
C40B C35B C20B 120.9(4) .
C36B C35B C20B 117.9(5) .
C37B C36B C35B 119.2(5) .
C37B C36B H36B 120.4 .
C35B C36B H36B 120.4 .
C36B C37B C38B 117.5(5) .
C36B C37B C41B 121.2(6) .
C38B C37B C41B 121.3(6) .
C39B C38B C37B 123.8(5) .
C39B C38B H38B 118.1 .
C37B C38B H38B 118.1 .
C40B C39B C38B 116.4(5) .
C40B C39B C45B 127.0(7) .
C38B C39B C45B 114.5(6) .
C40B C39B C45D 114.3(7) .
C38B C39B C45D 128.7(7) .
C45B C39B C45D 25.0(6) .
C35B C40B C39B 121.9(5) .
C35B C40B H40B 119.0 .
C39B C40B H40B 119.0 .
C43B C41B C42B 111.9(6) .
C43B C41B C37B 113.3(7) .
C42B C41B C37B 108.4(5) .
C43B C41B C44B 110.0(6) .
C42B C41B C44B 109.2(7) .
C37B C41B C44B 103.6(5) .
C41B C42B H42G 109.5 .
C41B C42B H42H 109.5 .
H42G C42B H42H 109.5 .
C41B C42B H42I 109.5 .
H42G C42B H42I 109.5 .
H42H C42B H42I 109.5 .
C41B C43B H43G 109.5 .
C41B C43B H43H 109.5 .
H43G C43B H43H 109.5 .
C41B C43B H43I 109.5 .
H43G C43B H43I 109.5 .
H43H C43B H43I 109.5 .
C41B C44B H44G 109.5 .
C41B C44B H44H 109.5 .
H44G C44B H44H 109.5 .
C41B C44B H44I 109.5 .
H44G C44B H44I 109.5 .
H44H C44B H44I 109.5 .
C39B C45B C47B 106.5(10) .
C39B C45B C46B 115.1(10) .
C47B C45B C46B 108.0(12) .
C39B C45B C48B 112.1(10) .
C47B C45B C48B 106.4(13) .
C46B C45B C48B 108.3(10) .
C45B C46B H46D 109.5 .
C45B C46B H46E 109.5 .
H46D C46B H46E 109.5 .
C45B C46B H46F 109.5 .
H46D C46B H46F 109.5 .
H46E C46B H46F 109.5 .
C45B C47B H47D 109.5 .
C45B C47B H47E 109.5 .
H47D C47B H47E 109.5 .
C45B C47B H47F 109.5 .
H47D C47B H47F 109.5 .
H47E C47B H47F 109.5 .
C45B C48B H48D 109.5 .
C45B C48B H48E 109.5 .
H48D C48B H48E 109.5 .
C45B C48B H48F 109.5 .
H48D C48B H48F 109.5 .
H48E C48B H48F 109.5 .
C47D C45D C48D 113.2(15) .
C47D C45D C46D 106.2(11) .
C48D C45D C46D 106.0(14) .
C47D C45D C39B 102.3(11) .
C48D C45D C39B 116.4(14) .
C46D C45D C39B 112.4(9) .
C45D C46D H46G 109.5 .
C45D C46D H46H 109.5 .
H46G C46D H46H 109.5 .
C45D C46D H46I 109.5 .
H46G C46D H46I 109.5 .
H46H C46D H46I 109.5 .
C45D C47D H47G 109.5 .
C45D C47D H47H 109.5 .
H47G C47D H47H 109.5 .
C45D C47D H47I 109.5 .
H47G C47D H47I 109.5 .
H47H C47D H47I 109.5 .
C45D C48D H48G 109.5 .
C45D C48D H48H 109.5 .
H48G C48D H48H 109.5 .
C45D C48D H48I 109.5 .
H48G C48D H48I 109.5 .
H48H C48D H48I 109.5 .
N1P C1P C2P 123.2(5) .
N1P C1P C13A 116.1(5) .
C2P C1P C13A 120.5(5) .
C3P C2P C1P 117.7(5) .
C3P C2P H2P 121.2 .
C1P C2P H2P 121.2 .
C4P C3P C2P 120.1(6) .
C4P C3P H3P 120.0 .
C2P C3P H3P 120.0 .
C3P C4P C5P 119.1(5) .
C3P C4P H4P 120.4 .
C5P C4P H4P 120.4 .
N1P C5P C4P 121.5(5) .
N1P C5P C7B 117.1(6) .
C4P C5P C7B 121.2(5) .
N2P C6P C7P 122.5(5) .
N2P C6P C17A 115.3(5) .
C7P C6P C17A 121.9(5) .
C8P C7P C6P 118.5(5) .
C8P C7P H7P 120.8 .
C6P C7P H7P 120.8 .
C9P C8P C7P 118.9(5) .
C9P C8P H8P 120.5 .
C7P C8P H8P 120.5 .
C10P C9P C8P 119.9(5) .
C10P C9P H9P 120.1 .
C8P C9P H9P 120.1 .
C9P C10P N2P 123.3(5) .
C9P C10P C3B 122.6(5) .
N2P C10P C3B 114.0(5) .
N3P C11P C12P 124.1(5) .
N3P C11P C13B 115.3(5) .
C12P C11P C13B 120.3(5) .
C13P C12P C11P 117.1(5) .
C13P C12P H12P 121.4 .
C11P C12P H12P 121.4 .
C14P C13P C12P 120.1(5) .
C14P C13P H13P 119.9 .
C12P C13P H13P 119.9 .
C13P C14P C15P 118.7(5) .
C13P C14P H14P 120.7 .
C15P C14P H14P 120.7 .
N4P C16P C17P 123.5(5) .
N4P C16P C17B 114.3(5) .
C17P C16P C17B 121.9(5) .
C18P C17P C16P 118.1(5) .
C18P C17P H17P 120.9 .
C16P C17P H17P 120.9 .
C17P C18P C19P 119.1(5) .
C17P C18P H18P 120.4 .
C19P C18P H18P 120.4 .
C20P C19P C18P 119.2(5) .
C20P C19P H19P 120.4 .
C18P C19P H19P 120.4 .
N2A Ni1 N4A 179.05(17) .
N2A Ni1 N3A 88.92(17) .
N4A Ni1 N3A 91.81(14) .
N2A Ni1 N1A 90.83(15) .
N4A Ni1 N1A 88.43(16) .
N3A Ni1 N1A 179.49(16) .
N1B Ni2 N2B 90.88(15) .
N1B Ni2 N3B 179.28(16) .
N2B Ni2 N3B 88.47(16) .
N1B Ni2 N4B 88.88(16) .
N2B Ni2 N4B 178.99(15) .
N3B Ni2 N4B 91.77(14) .
C11G C1G C2G 115.5(18) .
C11G C1G C5G 125.8(17) .
C2G C1G C5G 108.0 .
C7G C2G C3G 121(2) .
C7G C2G C1G 125(2) .
C3G C2G C1G 108.0 .
C27G C3G C2G 123(2) .
C27G C3G C4G 118(2) .
C2G C3G C4G 108.0 .
C5G C4G C3G 108.0 .
C5G C4G C32G 115.7(19) .
C3G C4G C32G 122(2) .
C18G C5G C4G 127.2(19) .
C18G C5G C1G 113(2) .
C4G C5G C1G 108.0 .
C16P N4P C20P 116.9(4) .
C12G C6G C7G 114.9(17) .
C12G C6G C10G 117.8(18) .
C7G C6G C10G 108.0 .
C2G C7G C6G 119.6(18) .
C2G C7G C8G 113.9(19) .
C6G C7G C8G 108.0 .
C26G C8G C9G 118(2) .
C26G C8G C7G 125(2) .
C9G C8G C7G 108.0 .
C8G C9G C10G 108.0 .
C8G C9G C60G 121(2) .
C10G C9G C60G 122(2) .
C9G C10G C6G 108.0 .
C9G C10G C38G 108.2(18) .
C6G C10G C38G 130.3(18) .
C9A C10A C11A 120.2(4) .
C9A C10A C21A 119.0(5) .
C11A C10A C21A 120.7(5) .
C1G C11G C12G 119.3(14) .
C1G C11G C15G 120.3(14) .
C12G C11G C15G 108.0 .
C6G C12G C11G 124.9(16) .
C6G C12G C13G 119.9(16) .
C11G C12G C13G 108.0 .
C14G C13G C12G 108.0 .
C14G C13G C37G 120.4(14) .
C12G C13G C37G 118.6(16) .
C13G C14G C15G 108.0 .
C13G C14G C22G 118.4(15) .
C15G C14G C22G 119.5(15) .
C11G C15G C14G 108.0 .
C11G C15G C17G 115.7(12) .
C14G C15G C17G 124.2(13) .
C10A C11A N3A 125.3(5) .
C10A C11A C12A 125.3(5) .
N3A C11A C12A 109.2(5) .
C17G C16G C20G 108.0 .
C17G C16G C23G 117.6(15) .
C20G C16G C23G 124.3(15) .
C18G C17G C16G 108.0 .
C18G C17G C15G 120.5(14) .
C16G C17G C15G 118.7(14) .
C5G C18G C19G 111.7(17) .
C5G C18G C17G 123.7(19) .
C19G C18G C17G 108.0 .
C33G C19G C18G 126.5(18) .
C33G C19G C20G 112.9(19) .
C18G C19G C20G 108.0 .
C19G C20G C16G 108.0 .
C19G C20G C47G 136.6(14) .
C16G C20G C47G 106.0(15) .
Cl10 C4S Cl11 115.9(4) .
Cl10 C4S Cl12 111.7(5) .
Cl11 C4S Cl12 108.7(4) .
C36G C21G C22G 116(2) .
C36G C21G C25G 125(2) .
C22G C21G C25G 108.0 .
C21G C22G C23G 108.0 .
C21G C22G C14G 123.1(19) .
C23G C22G C14G 118(2) .
C22G C23G C24G 108.0 .
C22G C23G C16G 122.0(17) .
C24G C23G C16G 116.7(18) .
C46G C24G C25G 117(2) .
C46G C24G C23G 125(2) .
C25G C24G C23G 108.0 .
C24G C25G C21G 108.0 .
C24G C25G C43G 118(2) .
C21G C25G C43G 119(2) .
Cl14 C5S Cl13 116.3(4) .
Cl14 C5S Cl15 110.7(5) .
Cl13 C5S Cl15 108.9(4) .
C8G C26G C30G 120(2) .
C8G C26G C27G 119(2) .
C30G C26G C27G 108.0 .
C3G C27G C28G 124(2) .
C3G C27G C26G 116(2) .
C28G C27G C26G 108.0 .
C27G C28G C29G 108.0 .
C27G C28G C31G 114.7(19) .
C29G C28G C31G 127.3(19) .
C30G C29G C28G 108.0 .
C30G C29G C53G 126.8(16) .
C28G C29G C53G 112.9(17) .
C56G C30G C26G 125(2) .
C56G C30G C29G 114(2) .
C26G C30G C29G 108.0 .
C32G C31G C35G 110(2) .
C32G C31G C28G 120(2) .
C35G C31G C28G 112(2) .
C31G C32G C33G 110(2) .
C31G C32G C4G 119(3) .
C33G C32G C4G 122(2) .
C32G C33G C19G 117(3) .
C32G C33G C34G 111(2) .
C19G C33G C34G 117(2) .
C48G C34G C35G 126.8(18) .
C48G C34G C33G 119.5(19) .
C35G C34G C33G 97.9(19) .
C54G C35G C31G 124(2) .
C54G C35G C34G 116(2) .
C31G C35G C34G 110(2) .
C10A C9A N2A 126.8(5) .
C10A C9A C8A 123.6(5) .
N2A C9A C8A 108.8(4) .
C21G C36G C40G 111.7(17) .
C21G C36G C37G 128.3(17) .
C40G C36G C37G 108.0 .
C38G C37G C36G 108.0 .
C38G C37G C13G 127.2(17) .
C36G C37G C13G 113.8(16) .
C37G C38G C39G 108.0 .
C37G C38G C10G 104.9(17) .
C39G C38G C10G 135.0(16) .
C59G C39G C38G 104.6(18) .
C59G C39G C40G 130.4(19) .
C38G C39G C40G 108.0 .
C36G C40G C39G 108.0 .
C36G C40G C42G 129.9(16) .
C39G C40G C42G 106.2(15) .
C1A C20A C19A 121.9(4) .
C1A C20A C35A 116.3(4) .
C19A C20A C35A 121.6(4) .
C42G C41G C45G 108.0 .
C42G C41G C58G 109(2) .
C45G C41G C58G 123(2) .
C41G C42G C43G 108.0 .
C41G C42G C40G 131.7(17) .
C43G C42G C40G 110.7(17) .
C44G C43G C42G 108.0 .
C44G C43G C25G 122(2) .
C42G C43G C25G 122(2) .
C50G C44G C43G 113(2) .
C50G C44G C45G 128(2) .
C43G C44G C45G 108.0 .
C51G C45G C41G 121.6(19) .
C51G C45G C44G 115(2) .
C41G C45G C44G 108.0 .
C26A C21A C22A 119.7(5) .
C26A C21A C10A 120.6(5) .
C22A C21A C10A 119.5(5) .
C24G C46G C50G 124(2) .
C24G C46G C47G 116(2) .
C50G C46G C47G 108.0 .
C48G C47G C46G 108.0 .
C48G C47G C20G 104.9(14) .
C46G C47G C20G 130.5(15) .
C34G C48G C49G 112.0(16) .
C34G C48G C47G 128.9(15) .
C49G C48G C47G 108.0 .
C55G C49G C48G 124.9(15) .
C55G C49G C50G 117.4(16) .
C48G C49G C50G 108.0 .
C44G C50G C49G 116.8(19) .
C44G C50G C46G 126.1(19) .
C49G C50G C46G 108.0 .
N4A C19A C18A 112.3(4) .
N4A C19A C20A 122.9(4) .
C18A C19A C20A 124.8(4) .
C45G C51G C55G 123.3(19) .
C45G C51G C52G 118.9(18) .
C55G C51G C52G 108.0 .
C53G C52G C51G 108.0 .
C53G C52G C57G 114.4(18) .
C51G C52G C57G 122.3(17) .
C52G C53G C54G 108.0 .
C52G C53G C29G 116.4(15) .
C54G C53G C29G 122.2(13) .
C35G C54G C55G 119.8(17) .
C35G C54G C53G 121.9(16) .
C55G C54G C53G 108.0 .
C49G C55G C51G 119.3(15) .
C49G C55G C54G 120.0(14) .
C51G C55G C54G 108.0 .
N4P C20P C19P 122.9(5) .
N4P C20P C3A 115.2(5) 2_656
C19P C20P C3A 121.7(5) 2_656
C30G C56G C57G 124(2) .
C30G C56G C60G 116(2) .
C57G C56G C60G 108.0 .
C58G C57G C56G 108.0 .
C58G C57G C52G 116.2(19) .
C56G C57G C52G 124.6(19) .
C57G C58G C59G 108.0 .
C57G C58G C41G 116(2) .
C59G C58G C41G 128(2) .
C39G C59G C60G 131(2) .
C39G C59G C58G 113(2) .
C60G C59G C58G 108.0 .
C59G C60G C56G 108.0 .
C59G C60G C9G 119(2) .
C56G C60G C9G 120(2) .
N3P C15P C14P 122.6(5) .
N3P C15P C7A 116.5(5) 2_656
C14P C15P C7A 120.5(5) 2_656
C7F C1F C2F 124.1(17) .
C7F C1F C5F 115.8(16) .
C2F C1F C5F 108.0 .
C50F C2F C3F 123.3(18) .
C50F C2F C1F 116.2(19) .
C3F C2F C1F 108.0 .
C2F C3F C4F 108.0 .
C2F C3F C22F 121.6(17) .
C4F C3F C22F 113.6(18) .
C5F C4F C3F 108.0 .
C5F C4F C16F 122.2(14) .
C3F C4F C16F 116.9(16) .
C4F C5F C1F 108.0 .
C4F C5F C12F 123.8(15) .
C1F C5F C12F 118.8(16) .
C33F C56F C60F 117(2) .
C33F C56F C57F 123(2) .
C60F C56F C57F 111.6(19) .
C46F C6F C7F 126(2) .
C46F C6F C10F 117(2) .
C7F C6F C10F 108.0 .
C1F C7F C6F 113.9(18) .
C1F C7F C8F 128.9(18) .
C6F C7F C8F 108.0 .
C11F C8F C9F 122.1(19) .
C11F C8F C7F 116.9(19) .
C9F C8F C7F 108.0 .
C10F C9F C8F 108.0 .
C10F C9F C39F 121.7(19) .
C8F C9F C39F 114.0(18) .
C45F C10F C9F 117(2) .
C45F C10F C6F 124(2) .
C9F C10F C6F 108.0 .
C56F C57F C58F 109(2) .
C56F C57F C43F 121(2) .
C58F C57F C43F 111(2) .
C8F C11F C15F 120.0(19) .
C8F C11F C12F 119(2) .
C15F C11F C12F 108.0 .
C13F C12F C11F 108.0 .
C13F C12F C5F 116.4(15) .
C11F C12F C5F 120.0(17) .
C14F C13F C12F 108.0 .
C14F C13F C20F 118.7(13) .
C12F C13F C20F 119.9(14) .
C51F C14F C13F 121.7(16) .
C51F C14F C15F 121.5(16) .
C13F C14F C15F 108.0 .
C38F C15F C11F 123.8(19) .
C38F C15F C14F 118.1(17) .
C11F C15F C14F 108.0 .
C36F C58F C57F 126(2) .
C36F C58F C59F 115.9(18) .
C57F C58F C59F 109.3(17) .
C20F C16F C17F 108.0 .
C20F C16F C4F 114.2(16) .
C17F C16F C4F 124.6(15) .
C23F C17F C18F 125(2) .
C23F C17F C16F 117(2) .
C18F C17F C16F 108.0 .
C27F C18F C19F 117(2) .
C27F C18F C17F 125(2) .
C19F C18F C17F 108.0 .
C18F C19F C20F 108.0 .
C18F C19F C52F 119.3(17) .
C20F C19F C52F 119.6(17) .
C19F C20F C16F 108.0 .
C19F C20F C13F 116.0(15) .
C16F C20F C13F 123.3(15) .
C54F C59F C58F 120.1(19) .
C54F C59F C60F 122.6(18) .
C58F C59F C60F 102.3(15) .
C22F C21F C25F 108.0 .
C22F C21F C49F 113.3(19) .
C25F C21F C49F 132.5(18) .
C23F C22F C21F 108.0 .
C23F C22F C3F 126.0(19) .
C21F C22F C3F 118.5(19) .
C17F C23F C24F 116(2) .
C17F C23F C22F 120(2) .
C24F C23F C22F 108.0 .
C26F C24F C23F 112.4(19) .
C26F C24F C25F 119(2) .
C23F C24F C25F 108.0 .
C35F C25F C24F 128(2) .
C35F C25F C21F 113(2) .
C24F C25F C21F 108.0 .
C24F C26F C27F 129.9(19) .
C24F C26F C30F 116.3(19) .
C27F C26F C30F 108.0 .
C18F C27F C28F 130(2) .
C18F C27F C26F 111(2) .
C28F C27F C26F 108.0 .
C27F C28F C29F 108.0 .
C27F C28F C53F 115.7(17) .
C29F C28F C53F 117.9(16) .
C30F C29F C28F 108.0 .
C30F C29F C60F 116.0(16) .
C28F C29F C60F 120.7(15) .
C29F C30F C26F 108.0 .
C29F C30F C34F 120.7(16) .
C26F C30F C34F 120.0(16) .
C35F C31F C32F 108.0 .
C35F C31F C48F 122.4(18) .
C32F C31F C48F 119.6(18) .
C33F C32F C31F 108.0 .
C33F C32F C42F 122.1(17) .
C31F C32F C42F 120.2(16) .
C56F C33F C34F 124.4(17) .
C56F C33F C32F 116.8(17) .
C34F C33F C32F 108.0 .
C33F C34F C35F 108.0 .
C33F C34F C30F 116.8(16) .
C35F C34F C30F 120.3(15) .
C25F C35F C31F 123.5(18) .
C25F C35F C34F 115.4(18) .
C31F C35F C34F 108.0 .
C58F C36F C40F 118.7(17) .
C58F C36F C37F 119.0(16) .
C40F C36F C37F 108.0 .
C55F C37F C38F 111.6(18) .
C55F C37F C36F 128.5(18) .
C38F C37F C36F 108.0 .
C15F C38F C39F 115(2) .
C15F C38F C37F 125.3(17) .
C39F C38F C37F 108.0 .
C40F C39F C38F 108.0 .
C40F C39F C9F 117(2) .
C38F C39F C9F 125(2) .
C39F C40F C36F 108.0 .
C39F C40F C44F 120.3(19) .
C36F C40F C44F 122.0(17) .
C47F C41F C42F 118(2) .
C47F C41F C45F 124(3) .
C42F C41F C45F 108.0 .
C43F C42F C41F 108.0 .
C43F C42F C32F 121(2) .
C41F C42F C32F 119.1(19) .
C42F C43F C44F 108.0 .
C42F C43F C57F 115(2) .
C44F C43F C57F 125(2) .
C45F C44F C43F 108.0 .
C45F C44F C40F 118(2) .
C43F C44F C40F 116.4(17) .
C10F C45F C44F 124(3) .
C10F C45F C41F 114(3) .
C44F C45F C41F 108.0 .
C6F C46F C47F 126(2) .
C6F C46F C50F 116(2) .
C47F C46F C50F 108.0 .
C41F C47F C46F 115(2) .
C41F C47F C48F 127(2) .
C46F C47F C48F 108.0 .
C49F C48F C47F 108.0 .
C49F C48F C31F 121.3(18) .
C47F C48F C31F 115.4(17) .
C50F C49F C48F 108.0 .
C50F C49F C21F 124.0(18) .
C48F C49F C21F 107.4(17) .
C2F C50F C49F 117.0(19) .
C2F C50F C46F 123(2) .
C49F C50F C46F 108.0 .
C14F C51F C52F 120.4(16) .
C14F C51F C55F 117.1(17) .
C52F C51F C55F 108.0 .
C51F C52F C53F 108.0 .
C51F C52F C19F 122.9(17) .
C53F C52F C19F 120.4(17) .
C54F C53F C52F 108.0 .
C54F C53F C28F 129.3(18) .
C52F C53F C28F 116.5(18) .
C59F C54F C53F 114.2(17) .
C59F C54F C55F 125.9(17) .
C53F C54F C55F 108.0 .
C37F C55F C54F 110.2(18) .
C37F C55F C51F 125.8(17) .
C54F C55F C51F 108.0 .
C56F C60F C29F 124.9(18) .
C56F C60F C59F 107.2(17) .
C29F C60F C59F 114.6(17) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1E C18E 1.32(2) .
C1E C2E 1.4200 .
C1E C5E 1.4200 .
C2E C3E 1.4200 .
C2E C9E 1.427(10) .
C3E C4E 1.4200 .
C3E C12E 1.53(3) .
C4E C5E 1.4200 .
C4E C30E 1.45(2) .
C5E C21E 1.33(2) .
N1A C4A 1.363(5) .
N1A C1A 1.368(5) .
N1A Ni1 1.924(4) .
C6E C44E 1.33(3) .
C6E C10E 1.4200 .
C6E C7E 1.4200 .
C7E C37E 1.34(3) .
C7E C8E 1.4200 .
C8E C9E 1.4200 .
C8E C13E 1.56(2) .
C9E C10E 1.4200 .
C10E C17E 1.27(2) .
N2A C6A 1.367(6) .
N2A C9A 1.374(5) .
N2A Ni1 1.900(4) .
C11E C15E 1.4200 .
C11E C12E 1.4200 .
C11E C29E 1.48(3) .
C12E C13E 1.4200 .
C13E C14E 1.4200 .
C14E C15E 1.4200 .
C14E C36E 1.43(2) .
C15E C46E 1.52(2) .
N3A C14A 1.381(5) .
N3A C11A 1.393(5) .
N3A Ni1 1.920(3) .
C16E C17E 1.4200 .
C16E C20E 1.4200 .
C16E C45E 1.47(2) .
C17E C18E 1.4200 .
C18E C19E 1.4200 .
C19E C20E 1.4200 .
C19E C22E 1.52(2) .
C20E C58E 1.46(2) .
N4A C16A 1.350(5) .
N4A C19A 1.377(5) .
N4A Ni1 1.913(3) .
C21E C25E 1.4200 .
C21E C22E 1.4200 .
C22E C23E 1.4200 .
C23E C24E 1.4200 .
C23E C57E 1.48(2) .
C24E C54E 1.43(2) .
C24E C25E 1.4200 .
C25E C26E 1.38(2) .
N1B C1B 1.375(5) .
N1B C4B 1.381(5) .
N1B Ni2 1.908(4) .
C26E C30E 1.4200 .
C26E C27E 1.4200 .
C27E C28E 1.4200 .
C27E C53E 1.49(2) .
C28E C50E 1.40(2) .
C28E C29E 1.4200 .
C29E C30E 1.4200 .
N2B C9B 1.353(5) .
N2B C6B 1.378(5) .
N2B Ni2 1.909(4) .
C31E C35E 1.4200 .
C31E C32E 1.4200 .
C31E C48E 1.43(2) .
C32E C39E 1.38(2) .
C32E C33E 1.4200 .
C33E C34E 1.4200 .
C33E C42E 1.54(2) .
C34E C35E 1.4200 .
C34E C60E 1.41(2) .
C35E C51E 1.44(2) .
N3B C14B 1.379(5) .
N3B C11B 1.386(5) .
N3B Ni2 1.909(3) .
C36E C37E 1.4200 .
C36E C40E 1.4200 .
C37E C38E 1.4200 .
C38E C43E 1.36(2) .
C38E C39E 1.4200 .
C39E C40E 1.4200 .
C40E C47E 1.54(2) .
N4B C16B 1.379(5) .
N4B C19B 1.392(5) .
N4B Ni2 1.911(4) .
C41E C42E 1.4200 .
C41E C45E 1.4200 .
C41E C59E 1.42(3) .
C42E C43E 1.4200 .
C43E C44E 1.4200 .
C44E C45E 1.4200 .
N1P C1P 1.336(6) .
N1P C5P 1.341(6) .
C46E C50E 1.4200 .
C46E C47E 1.4200 .
C47E C48E 1.4200 .
C48E C49E 1.4200 .
C49E C52E 1.41(2) .
C49E C50E 1.4200 .
N2P C6P 1.346(5) .
N2P C10P 1.354(6) .
C51E C52E 1.4200 .
C51E C55E 1.4200 .
C52E C53E 1.4200 .
C53E C54E 1.4200 .
C54E C55E 1.4200 .
C55E C56E 1.38(2) .
N3P C11P 1.327(6) .
N3P C15P 1.338(6) .
C56E C60E 1.4200 .
C56E C57E 1.4200 .
C57E C58E 1.4200 .
C58E C59E 1.4200 .
C59E C60E 1.4200 .
C1A C2A 1.403(6) .
C1A C20A 1.408(6) .
C2A C3A 1.338(6) .
C2A H2A 0.9500 .
C3A C4A 1.446(6) .
C3A C20P 1.491(7) 2_656
C4A C5A 1.381(6) .
C5A C6A 1.382(6) .
C5A H5A 0.9500 .
C6A C7A 1.444(6) .
C7A C8A 1.360(6) .
C7A C15P 1.454(7) 2_656
C8A C9A 1.428(7) .
C8A H8A 0.9500 .
C12A C13A 1.340(6) .
C12A C11A 1.410(6) .
C12A H12A 0.9500 .
C13A C14A 1.452(6) .
C13A C1P 1.459(7) .
C14A C15A 1.355(6) .
C15A C16A 1.408(5) .
C15A H15A 0.9500 .
C16A C17A 1.473(6) .
C17A C18A 1.367(6) .
C17A C6P 1.466(6) .
C18A C19A 1.409(6) .
C18A H18A 0.9500 .
C22A C23A 1.372(7) .
C22A C21A 1.413(6) .
C22A H22A 0.9500 .
C23A C24A 1.382(8) .
C23A C27A 1.533(9) .
C24A C25A 1.377(8) .
C24A H24A 0.9500 .
C25A C26A 1.420(6) .
C25A C31A 1.450(11) .
C25A C31C 1.695(17) .
C26A C21A 1.379(6) .
C26A H26A 0.9500 .
C27A C28A 1.390(11) .
C27A C30A 1.512(13) .
C27A C29A 1.543(13) .
C28A H28A 0.9800 .
C28A H28B 0.9800 .
C28A H28C 0.9800 .
C29A H29A 0.9800 .
C29A H29B 0.9800 .
C29A H29C 0.9800 .
C30A H30A 0.9800 .
C30A H30B 0.9800 .
C30A H30C 0.9800 .
C31A C32A 1.506(13) .
C31A C34A 1.527(11) .
C31A C33A 1.549(15) .
C32A H32A 0.9800 .
C32A H32B 0.9800 .
C32A H32C 0.9800 .
C33A H33A 0.9800 .
C33A H33B 0.9800 .
C33A H33C 0.9800 .
C34A H34A 0.9800 .
C34A H34B 0.9800 .
C34A H34C 0.9800 .
C31C C32C 1.563(18) .
C31C C34C 1.564(19) .
C31C C33C 1.57(2) .
C32C H32D 0.9800 .
C32C H32E 0.9800 .
C32C H32F 0.9800 .
C33C H33D 0.9800 .
C33C H33E 0.9800 .
C33C H33F 0.9800 .
C34C H34D 0.9800 .
C34C H34E 0.9800 .
C34C H34F 0.9800 .
C35A C36A 1.368(6) .
C35A C40A 1.399(6) .
C35A C20A 1.503(6) .
C36A C37A 1.375(6) .
C36A H36A 0.9500 .
C37A C38A 1.384(8) .
C37A C41A 1.445(11) .
C37A C41C 1.689(16) .
C38A C39A 1.404(8) .
C38A H38A 0.9500 .
C39A C40A 1.393(7) .
C39A C45A 1.540(8) .
C40A H40A 0.9500 .
C41A C43A 1.538(14) .
C41A C42A 1.554(15) .
C41A C44A 1.567(12) .
C42A H42A 0.9800 .
C42A H42B 0.9800 .
C42A H42C 0.9800 .
C43A H43A 0.9800 .
C43A H43B 0.9800 .
C43A H43C 0.9800 .
C44A H44A 0.9800 .
C44A H44B 0.9800 .
C44A H44C 0.9800 .
C41C C43C 1.541(18) .
C41C C44C 1.54(2) .
C41C C42C 1.546(16) .
C42C H42D 0.9800 .
C42C H42E 0.9800 .
C42C H42F 0.9800 .
C43C H43D 0.9800 .
C43C H43E 0.9800 .
C43C H43F 0.9800 .
C44C H44D 0.9800 .
C44C H44E 0.9800 .
C44C H44F 0.9800 .
C45A C48A 1.513(9) .
C45A C47A 1.518(8) .
C45A C46A 1.529(10) .
C46A H46A 0.9800 .
C46A H46B 0.9800 .
C46A H46C 0.9800 .
C47A H47A 0.9800 .
C47A H47B 0.9800 .
C47A H47C 0.9800 .
C48A H48A 0.9800 .
C48A H48B 0.9800 .
C48A H48C 0.9800 .
C1B C20B 1.385(6) .
C1B C2B 1.421(6) .
C2B C3B 1.354(6) .
C2B H2B 0.9500 .
C3B C4B 1.443(6) .
C3B C10P 1.467(6) .
C4B C5B 1.375(6) .
C5B C6B 1.367(6) .
C5B H5B 0.9500 .
C6B C7B 1.442(6) .
C7B C8B 1.331(6) .
C7B C5P 1.463(7) .
C8B C9B 1.435(6) .
C8B H8B 0.9500 .
C9B C10B 1.396(6) .
C10B C11B 1.384(6) .
C10B C21B 1.481(6) .
C11B C12B 1.400(6) .
C12B C13B 1.320(6) .
C12B H12B 0.9500 .
C13B C14B 1.449(6) .
C13B C11P 1.495(7) .
C14B C15B 1.369(6) .
C15B C16B 1.382(6) .
C15B H15B 0.9500 .
C16B C17B 1.446(6) .
C17B C18B 1.383(6) .
C17B C16P 1.470(6) .
C18B C19B 1.420(6) .
C18B H18B 0.9500 .
C19B C20B 1.401(6) .
C20B C35B 1.513(6) .
C21B C26B 1.371(7) .
C21B C22B 1.402(6) .
C22B C23B 1.369(7) .
C22B H22B 0.9500 .
C23B C24B 1.384(8) .
C23B C27B 1.526(9) .
C24B C25B 1.392(8) .
C24B H24B 0.9500 .
C25B C26B 1.429(6) .
C25B C31B 1.479(16) .
C25B C31D 1.638(19) .
C26B H26B 0.9500 .
C27B C28B 1.383(11) .
C27B C30B 1.526(13) .
C27B C29B 1.542(13) .
C28B H28D 0.9800 .
C28B H28E 0.9800 .
C28B H28F 0.9800 .
C29B H29D 0.9800 .
C29B H29E 0.9800 .
C29B H29F 0.9800 .
C30B H30D 0.9800 .
C30B H30E 0.9800 .
C30B H30F 0.9800 .
C31B C33B 1.492(15) .
C31B C34B 1.518(16) .
C31B C32B 1.525(17) .
C32B H32G 0.9800 .
C32B H32H 0.9800 .
C32B H32I 0.9800 .
C33B H33G 0.9800 .
C33B H33H 0.9800 .
C33B H33I 0.9800 .
C34B H34G 0.9800 .
C34B H34H 0.9800 .
C34B H34I 0.9800 .
C31D C34D 1.532(19) .
C31D C32D 1.533(19) .
C31D C33D 1.564(19) .
C32D H32J 0.9800 .
C32D H32K 0.9800 .
C32D H32L 0.9800 .
C33D H33J 0.9800 .
C33D H33K 0.9800 .
C33D H33L 0.9800 .
C34D H34J 0.9800 .
C34D H34K 0.9800 .
C34D H34L 0.9800 .
C35B C40B 1.359(6) .
C35B C36B 1.406(6) .
C36B C37B 1.383(7) .
C36B H36B 0.9500 .
C37B C38B 1.404(8) .
C37B C41B 1.536(8) .
C38B C39B 1.384(8) .
C38B H38B 0.9500 .
C39B C40B 1.379(6) .
C39B C45B 1.448(14) .
C39B C45D 1.683(15) .
C40B H40B 0.9500 .
C41B C43B 1.511(10) .
C41B C42B 1.513(8) .
C41B C44B 1.536(9) .
C42B H42G 0.9800 .
C42B H42H 0.9800 .
C42B H42I 0.9800 .
C43B H43G 0.9800 .
C43B H43H 0.9800 .
C43B H43I 0.9800 .
C44B H44G 0.9800 .
C44B H44H 0.9800 .
C44B H44I 0.9800 .
C45B C47B 1.489(16) .
C45B C46B 1.533(15) .
C45B C48B 1.569(14) .
C46B H46D 0.9800 .
C46B H46E 0.9800 .
C46B H46F 0.9800 .
C47B H47D 0.9800 .
C47B H47E 0.9800 .
C47B H47F 0.9800 .
C48B H48D 0.9800 .
C48B H48E 0.9800 .
C48B H48F 0.9800 .
C45D C47D 1.538(18) .
C45D C48D 1.57(2) .
C45D C46D 1.579(16) .
C46D H46G 0.9800 .
C46D H46H 0.9800 .
C46D H46I 0.9800 .
C47D H47G 0.9800 .
C47D H47H 0.9800 .
C47D H47I 0.9800 .
C48D H48G 0.9800 .
C48D H48H 0.9800 .
C48D H48I 0.9800 .
C1P C2P 1.414(7) .
C2P C3P 1.371(7) .
C2P H2P 0.9500 .
C3P C4P 1.368(7) .
C3P H3P 0.9500 .
C4P C5P 1.418(7) .
C4P H4P 0.9500 .
C6P C7P 1.394(7) .
C7P C8P 1.373(7) .
C7P H7P 0.9500 .
C8P C9P 1.371(6) .
C8P H8P 0.9500 .
C9P C10P 1.346(6) .
C9P H9P 0.9500 .
C11P C12P 1.381(7) .
C12P C13P 1.381(7) .
C12P H12P 0.9500 .
C13P C14P 1.358(6) .
C13P H13P 0.9500 .
C14P C15P 1.384(7) .
C14P H14P 0.9500 .
C16P N4P 1.349(5) .
C16P C17P 1.382(6) .
C17P C18P 1.379(6) .
C17P H17P 0.9500 .
C18P C19P 1.389(7) .
C18P H18P 0.9500 .
C19P C20P 1.360(7) .
C19P H19P 0.9500 .
C1G C11G 1.375(19) .
C1G C2G 1.4200 .
C1G C5G 1.4200 .
C2G C7G 1.37(2) .
C2G C3G 1.4200 .
C3G C27G 1.39(2) .
C3G C4G 1.4200 .
C4G C5G 1.4200 .
C4G C32G 1.42(3) .
C5G C18G 1.38(2) .
N4P C20P 1.357(6) .
C6G C12G 1.39(2) .
C6G C7G 1.4200 .
C6G C10G 1.4200 .
C7G C8G 1.4200 .
C8G C26G 1.38(3) .
C8G C9G 1.4200 .
C9G C10G 1.4200 .
C9G C60G 1.44(2) .
C10G C38G 1.56(3) .
C10A C9A 1.364(6) .
C10A C11A 1.380(7) .
C10A C21A 1.483(6) .
C11G C12G 1.4200 .
C11G C15G 1.4200 .
C12G C13G 1.4200 .
C13G C14G 1.4200 .
C13G C37G 1.53(2) .
C14G C15G 1.4200 .
C14G C22G 1.472(18) .
C15G C17G 1.439(19) .
C16G C17G 1.4200 .
C16G C20G 1.4200 .
C16G C23G 1.54(2) .
C17G C18G 1.4200 .
C18G C19G 1.4200 .
C19G C33G 1.40(3) .
C19G C20G 1.4200 .
C20G C47G 1.51(2) .
C4S Cl10 1.645(8) .
C4S Cl11 1.775(8) .
C4S Cl12 1.775(7) .
C21G C36G 1.39(2) .
C21G C22G 1.4200 .
C21G C25G 1.4200 .
C22G C23G 1.4200 .
C23G C24G 1.4200 .
C24G C46G 1.28(2) .
C24G C25G 1.4200 .
C25G C43G 1.46(2) .
C5S Cl14 1.665(8) .
C5S Cl13 1.753(8) .
C5S Cl15 1.777(7) .
C26G C30G 1.4200 .
C26G C27G 1.4200 .
C27G C28G 1.4200 .
C28G C29G 1.4200 .
C28G C31G 1.55(3) .
C29G C30G 1.4200 .
C29G C53G 1.538(18) .
C30G C56G 1.35(3) .
C31G C32G 1.36(4) .
C31G C35G 1.50(3) .
C32G C33G 1.38(3) .
C33G C34G 1.63(3) .
C34G C48G 1.37(3) .
C34G C35G 1.51(3) .
C35G C54G 1.38(3) .
C36G C40G 1.4200 .
C36G C37G 1.4200 .
C37G C38G 1.4200 .
C38G C39G 1.4200 .
C39G C59G 1.39(2) .
C39G C40G 1.4200 .
C40G C42G 1.50(2) .
C20A C19A 1.410(6) .
C41G C42G 1.4200 .
C41G C45G 1.4200 .
C41G C58G 1.44(3) .
C42G C43G 1.4200 .
C43G C44G 1.4200 .
C44G C50G 1.30(2) .
C44G C45G 1.4200 .
C45G C51G 1.281(19) .
C46G C50G 1.4200 .
C46G C47G 1.4200 .
C47G C48G 1.4200 .
C48G C49G 1.4200 .
C49G C55G 1.413(19) .
C49G C50G 1.4200 .
C51G C55G 1.4200 .
C51G C52G 1.4200 .
C52G C53G 1.4200 .
C52G C57G 1.50(2) .
C53G C54G 1.4200 .
C54G C55G 1.4200 .
C20P C3A 1.491(7) 2_656
C56G C57G 1.4200 .
C56G C60G 1.4200 .
C57G C58G 1.4200 .
C58G C59G 1.4200 .
C59G C60G 1.4200 .
C15P C7A 1.454(7) 2_656
C1F C7F 1.33(2) .
C1F C2F 1.4200 .
C1F C5F 1.4200 .
C2F C50F 1.32(2) .
C2F C3F 1.4200 .
C3F C4F 1.4200 .
C3F C22F 1.49(2) .
C4F C5F 1.4200 .
C4F C16F 1.531(18) .
C5F C12F 1.50(2) .
C56F C33F 1.39(2) .
C56F C60F 1.40(3) .
C56F C57F 1.44(3) .
C6F C46F 1.28(2) .
C6F C7F 1.4200 .
C6F C10F 1.4200 .
C7F C8F 1.4200 .
C8F C11F 1.38(2) .
C8F C9F 1.4200 .
C9F C10F 1.4200 .
C9F C39F 1.47(2) .
C10F C45F 1.37(3) .
C57F C58F 1.47(3) .
C57F C43F 1.49(2) .
C11F C15F 1.4200 .
C11F C12F 1.4200 .
C12F C13F 1.4200 .
C13F C14F 1.4200 .
C13F C20F 1.58(2) .
C14F C51F 1.35(2) .
C14F C15F 1.4200 .
C15F C38F 1.373(19) .
C58F C36F 1.37(2) .
C58F C59F 1.51(3) .
C16F C20F 1.4200 .
C16F C17F 1.4200 .
C17F C23F 1.33(3) .
C17F C18F 1.4200 .
C18F C27F 1.21(2) .
C18F C19F 1.4200 .
C19F C20F 1.4200 .
C19F C52F 1.428(19) .
C59F C54F 1.37(2) .
C59F C60F 1.64(3) .
C21F C22F 1.4200 .
C21F C25F 1.4200 .
C21F C49F 1.55(3) .
C22F C23F 1.4200 .
C23F C24F 1.4200 .
C24F C26F 1.42(2) .
C24F C25F 1.4200 .
C25F C35F 1.33(2) .
C26F C27F 1.4200 .
C26F C30F 1.4200 .
C27F C28F 1.4200 .
C28F C29F 1.4200 .
C28F C53F 1.42(2) .
C29F C30F 1.4200 .
C29F C60F 1.47(3) .
C30F C34F 1.50(2) .
C31F C35F 1.4200 .
C31F C32F 1.4200 .
C31F C48F 1.48(2) .
C32F C33F 1.4200 .
C32F C42F 1.49(2) .
C33F C34F 1.4200 .
C34F C35F 1.4200 .
C36F C40F 1.4200 .
C36F C37F 1.4200 .
C37F C55F 1.41(2) .
C37F C38F 1.4200 .
C38F C39F 1.4200 .
C39F C40F 1.4200 .
C40F C44F 1.45(2) .
C41F C47F 1.37(3) .
C41F C42F 1.4200 .
C41F C45F 1.4200 .
C42F C43F 1.4200 .
C43F C44F 1.4200 .
C44F C45F 1.4200 .
C46F C47F 1.4200 .
C46F C50F 1.4200 .
C47F C48F 1.4200 .
C48F C49F 1.4200 .
C49F C50F 1.4200 .
C51F C52F 1.4200 .
C51F C55F 1.4200 .
C52F C53F 1.4200 .
C53F C54F 1.4200 .
C54F C55F 1.4200 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C18E C1E C2E C3E -152(3) . .
C5E C1E C2E C3E 0.0 . .
C18E C1E C2E C9E -9(3) . .
C5E C1E C2E C9E 142(3) . .
C1E C2E C3E C4E 0.0 . .
C9E C2E C3E C4E -141(3) . .
C1E C2E C3E C12E 130(3) . .
C9E C2E C3E C12E -11(3) . .
C2E C3E C4E C5E 0.0 . .
C12E C3E C4E C5E -145(2) . .
C2E C3E C4E C30E 144(3) . .
C12E C3E C4E C30E -1(2) . .
C3E C4E C5E C21E 151(3) . .
C30E C4E C5E C21E 4(4) . .
C3E C4E C5E C1E 0.0 . .
C30E C4E C5E C1E -146(3) . .
C18E C1E C5E C21E -4(4) . .
C2E C1E C5E C21E -150(3) . .
C18E C1E C5E C4E 147(3) . .
C2E C1E C5E C4E 0.0 . .
C44E C6E C7E C37E -12(3) . .
C10E C6E C7E C37E 136(3) . .
C44E C6E C7E C8E -148(3) . .
C10E C6E C7E C8E 0.0 . .
C37E C7E C8E C9E -132(3) . .
C6E C7E C8E C9E 0.0 . .
C37E C7E C8E C13E 4(3) . .
C6E C7E C8E C13E 135(2) . .
C7E C8E C9E C10E 0.0 . .
C13E C8E C9E C10E -142(2) . .
C7E C8E C9E C2E 144(3) . .
C13E C8E C9E C2E 1(3) . .
C3E C2E C9E C10E 140.6(17) . .
C1E C2E C9E C10E 3(3) . .
C3E C2E C9E C8E 2(3) . .
C1E C2E C9E C8E -135.3(18) . .
C8E C9E C10E C17E 142(3) . .
C2E C9E C10E C17E 0(3) . .
C8E C9E C10E C6E 0.0 . .
C2E C9E C10E C6E -142(3) . .
C44E C6E C10E C17E 9(3) . .
C7E C6E C10E C17E -138(2) . .
C44E C6E C10E C9E 146(3) . .
C7E C6E C10E C9E 0.0 . .
C15E C11E C12E C13E 0.0 . .
C29E C11E C12E C13E -136(3) . .
C15E C11E C12E C3E 128(4) . .
C29E C11E C12E C3E -8(4) . .
C2E C3E C12E C13E 12(3) . .
C4E C3E C12E C13E 143.9(15) . .
C2E C3E C12E C11E -118(3) . .
C4E C3E C12E C11E 13(4) . .
C11E C12E C13E C14E 0.0 . .
C3E C12E C13E C14E -152(2) . .
C11E C12E C13E C8E 144(3) . .
C3E C12E C13E C8E -9(3) . .
C7E C8E C13E C14E 14(2) . .
C9E C8E C13E C14E 147.7(16) . .
C7E C8E C13E C12E -131(3) . .
C9E C8E C13E C12E 3(4) . .
C12E C13E C14E C15E 0.0 . .
C8E C13E C14E C15E -157(2) . .
C12E C13E C14E C36E 141(3) . .
C8E C13E C14E C36E -16(2) . .
C12E C11E C15E C14E 0.0 . .
C29E C11E C15E C14E 118(4) . .
C12E C11E C15E C46E -139.3(18) . .
C29E C11E C15E C46E -22(3) . .
C13E C14E C15E C11E 0.0 . .
C36E C14E C15E C11E -147(2) . .
C13E C14E C15E C46E 116(3) . .
C36E C14E C15E C46E -31(4) . .
C9E C10E C17E C16E -141.8(15) . .
C6E C10E C17E C16E -7(3) . .
C9E C10E C17E C18E 4(3) . .
C6E C10E C17E C18E 139.0(17) . .
C20E C16E C17E C10E 151(2) . .
C45E C16E C17E C10E 4(3) . .
C20E C16E C17E C18E 0.0 . .
C45E C16E C17E C18E -147(2) . .
C2E C1E C18E C17E 13(3) . .
C5E C1E C18E C17E -132(2) . .
C2E C1E C18E C19E 148.1(15) . .
C5E C1E C18E C19E 3(3) . .
C10E C17E C18E C1E -11(3) . .
C16E C17E C18E C1E 138(2) . .
C10E C17E C18E C19E -149(3) . .
C16E C17E C18E C19E 0.0 . .
C1E C18E C19E C20E -141(2) . .
C17E C18E C19E C20E 0.0 . .
C1E C18E C19E C22E -1(3) . .
C17E C18E C19E C22E 140(2) . .
C18E C19E C20E C16E 0.0 . .
C22E C19E C20E C16E -137.2(19) . .
C18E C19E C20E C58E 131(2) . .
C22E C19E C20E C58E -6(2) . .
C17E C16E C20E C19E 0.0 . .
C45E C16E C20E C19E 144(2) . .
C17E C16E C20E C58E -135.4(18) . .
C45E C16E C20E C58E 8(2) . .
C4E C5E C21E C25E -14(3) . .
C1E C5E C21E C25E 132(2) . .
C4E C5E C21E C22E -145(2) . .
C1E C5E C21E C22E 2(3) . .
C5E C21E C22E C23E 137(3) . .
C25E C21E C22E C23E 0.0 . .
C5E C21E C22E C19E 0(3) . .
C25E C21E C22E C19E -137(3) . .
C20E C19E C22E C21E 134(2) . .
C18E C19E C22E C21E 0(3) . .
C20E C19E C22E C23E -1(2) . .
C18E C19E C22E C23E -134.9(17) . .
C21E C22E C23E C24E 0.0 . .
C19E C22E C23E C24E 142(2) . .
C21E C22E C23E C57E -134(3) . .
C19E C22E C23E C57E 8(3) . .
C22E C23E C24E C54E -150(3) . .
C57E C23E C24E C54E -7(3) . .
C22E C23E C24E C25E 0.0 . .
C57E C23E C24E C25E 143(3) . .
C54E C24E C25E C26E 0(4) . .
C23E C24E C25E C26E -149(4) . .
C54E C24E C25E C21E 149(4) . .
C23E C24E C25E C21E 0.0 . .
C5E C21E C25E C26E 21(4) . .
C22E C21E C25E C26E 154(4) . .
C5E C21E C25E C24E -133(3) . .
C22E C21E C25E C24E 0.0 . .
C24E C25E C26E C30E 127(3) . .
C21E C25E C26E C30E -21(4) . .
C24E C25E C26E C27E 1(4) . .
C21E C25E C26E C27E -147(2) . .
C25E C26E C27E C28E 135(4) . .
C30E C26E C27E C28E 0.0 . .
C25E C26E C27E C53E -3(4) . .
C30E C26E C27E C53E -139(3) . .
C26E C27E C28E C50E -154(3) . .
C53E C27E C28E C50E -8(4) . .
C26E C27E C28E C29E 0.0 . .
C53E C27E C28E C29E 146(3) . .
C50E C28E C29E C30E 154(3) . .
C27E C28E C29E C30E 0.0 . .
C50E C28E C29E C11E -2(3) . .
C27E C28E C29E C11E -156(4) . .
C15E C11E C29E C28E 20(4) . .
C12E C11E C29E C28E 141(2) . .
C15E C11E C29E C30E -131(3) . .
C12E C11E C29E C30E -10(3) . .
C25E C26E C30E C29E -125(4) . .
C27E C26E C30E C29E 0.0 . .
C25E C26E C30E C4E 12(4) . .
C27E C26E C30E C4E 137(3) . .
C28E C29E C30E C26E 0.0 . .
C11E C29E C30E C26E 153(4) . .
C28E C29E C30E C4E -135(3) . .
C11E C29E C30E C4E 19(4) . .
C5E C4E C30E C26E -3(4) . .
C3E C4E C30E C26E -143(2) . .
C5E C4E C30E C29E 129(3) . .
C3E C4E C30E C29E -12(3) . .
C35E C31E C32E C39E 139(3) . .
C48E C31E C32E C39E -9(3) . .
C35E C31E C32E C33E 0.0 . .
C48E C31E C32E C33E -148(3) . .
C39E C32E C33E C34E -136(3) . .
C31E C32E C33E C34E 0.0 . .
C39E C32E C33E C42E -1(4) . .
C31E C32E C33E C42E 135(2) . .
C32E C33E C34E C35E 0.0 . .
C42E C33E C34E C35E -136(2) . .
C32E C33E C34E C60E 136(3) . .
C42E C33E C34E C60E 0(4) . .
C32E C31E C35E C34E 0.0 . .
C48E C31E C35E C34E 145(3) . .
C32E C31E C35E C51E -155(3) . .
C48E C31E C35E C51E -9(4) . .
C33E C34E C35E C31E 0.0 . .
C60E C34E C35E C31E -141(3) . .
C33E C34E C35E C51E 147(3) . .
C60E C34E C35E C51E 6(4) . .
C13E C14E C36E C37E 3(3) . .
C15E C14E C36E C37E 142(2) . .
C13E C14E C36E C40E -137(2) . .
C15E C14E C36E C40E 3(3) . .
C8E C7E C37E C38E 136(2) . .
C6E C7E C37E C38E 7(3) . .
C8E C7E C37E C36E -19(4) . .
C6E C7E C37E C36E -149.0(17) . .
C40E C36E C37E C7E 161(3) . .
C14E C36E C37E C7E 17(3) . .
C40E C36E C37E C38E 0.0 . .
C14E C36E C37E C38E -144(2) . .
C7E C37E C38E C43E 9(3) . .
C36E C37E C38E C43E 166(2) . .
C7E C37E C38E C39E -157(3) . .
C36E C37E C38E C39E 0.0 . .
C31E C32E C39E C38E -130(2) . .
C33E C32E C39E C38E 3(3) . .
C31E C32E C39E C40E 6(4) . .
C33E C32E C39E C40E 140(3) . .
C43E C38E C39E C32E -14(3) . .
C37E C38E C39E C32E 146(2) . .
C43E C38E C39E C40E -159(3) . .
C37E C38E C39E C40E 0.0 . .
C32E C39E C40E C36E -137(3) . .
C38E C39E C40E C36E 0.0 . .
C32E C39E C40E C47E -8(3) . .
C38E C39E C40E C47E 130(2) . .
C37E C36E C40E C39E 0.0 . .
C14E C36E C40E C39E 144(2) . .
C37E C36E C40E C47E -132(2) . .
C14E C36E C40E C47E 12(3) . .
C45E C41E C42E C43E 0.0 . .
C59E C41E C42E C43E -142(3) . .
C45E C41E C42E C33E 144(2) . .
C59E C41E C42E C33E 2(3) . .
C34E C33E C42E C41E -1(3) . .
C32E C33E C42E C41E -132(3) . .
C34E C33E C42E C43E 137(3) . .
C32E C33E C42E C43E 6(3) . .
C37E C38E C43E C44E -20(3) . .
C39E C38E C43E C44E 139(3) . .
C37E C38E C43E C42E -142.2(15) . .
C39E C38E C43E C42E 17(3) . .
C41E C42E C43E C38E 130(2) . .
C33E C42E C43E C38E -11(2) . .
C41E C42E C43E C44E 0.0 . .
C33E C42E C43E C44E -141(2) . .
C10E C6E C44E C43E -141.1(19) . .
C7E C6E C44E C43E 2(2) . .
C10E C6E C44E C45E -7(3) . .
C7E C6E C44E C45E 135.3(18) . .
C38E C43E C44E C6E 17(3) . .
C42E C43E C44E C6E 137(2) . .
C38E C43E C44E C45E -120(3) . .
C42E C43E C44E C45E 0.0 . .
C6E C44E C45E C41E -140(3) . .
C43E C44E C45E C41E 0.0 . .
C6E C44E C45E C16E 5(3) . .
C43E C44E C45E C16E 145(2) . .
C42E C41E C45E C44E 0.0 . .
C59E C41E C45E C44E 146(3) . .
C42E C41E C45E C16E -145(2) . .
C59E C41E C45E C16E 1(3) . .
C17E C16E C45E C44E -4(2) . .
C20E C16E C45E C44E -144.3(15) . .
C17E C16E C45E C41E 136.9(16) . .
C20E C16E C45E C41E -4(2) . .
C11E C15E C46E C50E 16(4) . .
C14E C15E C46E C50E -104(4) . .
C11E C15E C46E C47E 153.4(16) . .
C14E C15E C46E C47E 33(3) . .
C50E C46E C47E C48E 0.0 . .
C15E C46E C47E C48E -156.2(19) . .
C50E C46E C47E C40E 145(3) . .
C15E C46E C47E C40E -11(3) . .
C39E C40E C47E C48E 10(2) . .
C36E C40E C47E C48E 137.4(18) . .
C39E C40E C47E C46E -135(2) . .
C36E C40E C47E C46E -7(3) . .
C46E C47E C48E C49E 0.0 . .
C40E C47E C48E C49E -154(2) . .
C46E C47E C48E C31E 139(3) . .
C40E C47E C48E C31E -15(3) . .
C35E C31E C48E C47E -127(3) . .
C32E C31E C48E C47E 15(4) . .
C35E C31E C48E C49E 11(3) . .
C32E C31E C48E C49E 153(2) . .
C47E C48E C49E C52E 131(3) . .
C31E C48E C49E C52E -15(3) . .
C47E C48E C49E C50E 0.0 . .
C31E C48E C49E C50E -146(2) . .
C29E C28E C50E C49E -132(3) . .
C27E C28E C50E C49E 18(4) . .
C29E C28E C50E C46E -4(3) . .
C27E C28E C50E C46E 146(3) . .
C52E C49E C50E C28E -19(3) . .
C48E C49E C50E C28E 127(3) . .
C52E C49E C50E C46E -145(2) . .
C48E C49E C50E C46E 0.0 . .
C47E C46E C50E C28E -139(2) . .
C15E C46E C50E C28E -4(4) . .
C47E C46E C50E C49E 0.0 . .
C15E C46E C50E C49E 135(3) . .
C31E C35E C51E C52E 11(4) . .
C34E C35E C51E C52E -136(4) . .
C31E C35E C51E C55E 144(2) . .
C34E C35E C51E C55E -2(4) . .
C48E C49E C52E C51E 15(4) . .
C50E C49E C52E C51E 147.2(19) . .
C48E C49E C52E C53E -118(4) . .
C50E C49E C52E C53E 15(3) . .
C55E C51E C52E C49E -145(3) . .
C35E C51E C52E C49E -12(4) . .
C55E C51E C52E C53E 0.0 . .
C35E C51E C52E C53E 133(3) . .
C49E C52E C53E C54E 132(4) . .
C51E C52E C53E C54E 0.0 . .
C49E C52E C53E C27E -8(4) . .
C51E C52E C53E C27E -140(3) . .
C28E C27E C53E C52E 3(3) . .
C26E C27E C53E C52E 141(3) . .
C28E C27E C53E C54E -132(3) . .
C26E C27E C53E C54E 6(4) . .
C25E C24E C54E C55E -133(3) . .
C23E C24E C54E C55E 12(4) . .
C25E C24E C54E C53E 2(4) . .
C23E C24E C54E C53E 147(2) . .
C52E C53E C54E C24E -143(3) . .
C27E C53E C54E C24E -4(3) . .
C52E C53E C54E C55E 0.0 . .
C27E C53E C54E C55E 139(3) . .
C24E C54E C55E C56E -11(4) . .
C53E C54E C55E C56E -147(3) . .
C24E C54E C55E C51E 136(4) . .
C53E C54E C55E C51E 0.0 . .
C52E C51E C55E C56E 142(4) . .
C35E C51E C55E C56E -4(4) . .
C52E C51E C55E C54E 0.0 . .
C35E C51E C55E C54E -145(2) . .
C54E C55E C56E C60E 144(2) . .
C51E C55E C56E C60E 4(4) . .
C54E C55E C56E C57E 5(3) . .
C51E C55E C56E C57E -135(2) . .
C55E C56E C57E C58E 144(3) . .
C60E C56E C57E C58E 0.0 . .
C55E C56E C57E C23E -2(3) . .
C60E C56E C57E C23E -146(3) . .
C22E C23E C57E C58E -7(4) . .
C24E C23E C57E C58E -141.1(19) . .
C22E C23E C57E C56E 136(2) . .
C24E C23E C57E C56E 3(3) . .
C56E C57E C58E C59E 0.0 . .
C23E C57E C58E C59E 151(3) . .
C56E C57E C58E C20E -151(2) . .
C23E C57E C58E C20E 0(3) . .
C19E C20E C58E C57E 7(3) . .
C16E C20E C58E C57E 135.9(18) . .
C19E C20E C58E C59E -140.3(16) . .
C16E C20E C58E C59E -11(2) . .
C57E C58E C59E C60E 0.0 . .
C20E C58E C59E C60E 151(2) . .
C57E C58E C59E C41E -141(3) . .
C20E C58E C59E C41E 10(3) . .
C42E C41E C59E C60E -3(3) . .
C45E C41E C59E C60E -142.1(17) . .
C42E C41E C59E C58E 135.7(19) . .
C45E C41E C59E C58E -4(3) . .
C58E C59E C60E C56E 0.0 . .
C41E C59E C60E C56E 144(3) . .
C58E C59E C60E C34E -142(3) . .
C41E C59E C60E C34E 2(3) . .
C55E C56E C60E C59E -143(3) . .
C57E C56E C60E C59E 0.0 . .
C55E C56E C60E C34E 1(3) . .
C57E C56E C60E C34E 144(3) . .
C33E C34E C60E C59E -1(4) . .
C35E C34E C60E C59E 133(2) . .
C33E C34E C60E C56E -139(3) . .
C35E C34E C60E C56E -5(3) . .
C4A N1A C1A C2A -2.4(5) . .
Ni1 N1A C1A C2A 177.6(3) . .
C4A N1A C1A C20A 166.9(4) . .
Ni1 N1A C1A C20A -13.0(6) . .
N1A C1A C2A C3A 2.1(5) . .
C20A C1A C2A C3A -167.2(4) . .
C1A C2A C3A C4A -0.9(5) . .
C1A C2A C3A C20P 173.5(5) . 2_656
C1A N1A C4A C5A 167.5(5) . .
Ni1 N1A C4A C5A -12.6(7) . .
C1A N1A C4A C3A 1.8(5) . .
Ni1 N1A C4A C3A -178.3(3) . .
C2A C3A C4A N1A -0.6(5) . .
C20P C3A C4A N1A -175.2(4) 2_656 .
C2A C3A C4A C5A -166.3(5) . .
C20P C3A C4A C5A 19.1(8) 2_656 .
N1A C4A C5A C6A -7.6(8) . .
C3A C4A C5A C6A 156.0(5) . .
C9A N2A C6A C5A -171.7(5) . .
Ni1 N2A C6A C5A 7.8(7) . .
C9A N2A C6A C7A 0.4(6) . .
Ni1 N2A C6A C7A 179.9(3) . .
C4A C5A C6A N2A 10.2(8) . .
C4A C5A C6A C7A -160.9(5) . .
N2A C6A C7A C8A -1.8(6) . .
C5A C6A C7A C8A 170.5(5) . .
N2A C6A C7A C15P 172.3(5) . 2_656
C5A C6A C7A C15P -15.4(9) . 2_656
C6A C7A C8A C9A 2.4(6) . .
C15P C7A C8A C9A -171.6(5) 2_656 .
C11A C12A C13A C14A -3.7(5) . .
C11A C12A C13A C1P 175.6(5) . .
C11A N3A C14A C15A 170.1(4) . .
Ni1 N3A C14A C15A -4.3(7) . .
C11A N3A C14A C13A -1.1(5) . .
Ni1 N3A C14A C13A -175.6(3) . .
C12A C13A C14A C15A -168.3(4) . .
C1P C13A C14A C15A 12.4(8) . .
C12A C13A C14A N3A 3.1(5) . .
C1P C13A C14A N3A -176.3(5) . .
N3A C14A C15A C16A -9.6(7) . .
C13A C14A C15A C16A 160.3(4) . .
C19A N4A C16A C15A -169.3(4) . .
Ni1 N4A C16A C15A 6.0(6) . .
C19A N4A C16A C17A -0.1(5) . .
Ni1 N4A C16A C17A 175.2(3) . .
C14A C15A C16A N4A 8.8(7) . .
C14A C15A C16A C17A -159.5(4) . .
N4A C16A C17A C18A -2.0(5) . .
C15A C16A C17A C18A 167.9(4) . .
N4A C16A C17A C6P 178.6(4) . .
C15A C16A C17A C6P -11.5(7) . .
C6P C17A C18A C19A -177.4(5) . .
C16A C17A C18A C19A 3.2(5) . .
C21A C22A C23A C24A -1.8(8) . .
C21A C22A C23A C27A -179.1(6) . .
C22A C23A C24A C25A 1.4(9) . .
C27A C23A C24A C25A 178.7(7) . .
C23A C24A C25A C26A -1.0(9) . .
C23A C24A C25A C31A -171.3(7) . .
C23A C24A C25A C31C 166.8(9) . .
C24A C25A C26A C21A 1.1(8) . .
C31A C25A C26A C21A 170.6(7) . .
C31C C25A C26A C21A -168.6(7) . .
C22A C23A C27A C28A -45.9(13) . .
C24A C23A C27A C28A 136.8(10) . .
C22A C23A C27A C30A 76.9(9) . .
C24A C23A C27A C30A -100.4(10) . .
C22A C23A C27A C29A -173.7(7) . .
C24A C23A C27A C29A 9.0(12) . .
C24A C25A C31A C32A 81.3(9) . .
C26A C25A C31A C32A -87.8(10) . .
C31C C25A C31A C32A -152(3) . .
C24A C25A C31A C34A -41.0(12) . .
C26A C25A C31A C34A 149.9(7) . .
C31C C25A C31A C34A 86(3) . .
C24A C25A C31A C33A -156.8(8) . .
C26A C25A C31A C33A 34.1(12) . .
C31C C25A C31A C33A -30(2) . .
C24A C25A C31C C32C -71.0(14) . .
C26A C25A C31C C32C 96.8(12) . .
C31A C25A C31C C32C -136(3) . .
C24A C25A C31C C34C 165.4(9) . .
C26A C25A C31C C34C -26.7(14) . .
C31A C25A C31C C34C 100(3) . .
C24A C25A C31C C33C 47.5(15) . .
C26A C25A C31C C33C -144.6(10) . .
C31A C25A C31C C33C -17.9(19) . .
C40A C35A C36A C37A 2.7(7) . .
C20A C35A C36A C37A 178.5(4) . .
C35A C36A C37A C38A -3.2(7) . .
C35A C36A C37A C41A -168.5(8) . .
C35A C36A C37A C41C 166.9(7) . .
C36A C37A C38A C39A 2.1(8) . .
C41A C37A C38A C39A 169.0(7) . .
C41C C37A C38A C39A -166.9(8) . .
C37A C38A C39A C40A -0.3(8) . .
C37A C38A C39A C45A -178.8(5) . .
C38A C39A C40A C35A -0.3(7) . .
C45A C39A C40A C35A 178.2(5) . .
C36A C35A C40A C39A -0.9(7) . .
C20A C35A C40A C39A -176.7(4) . .
C36A C37A C41A C43A 87.1(9) . .
C38A C37A C41A C43A -78.7(9) . .
C41C C37A C41A C43A 157(2) . .
C36A C37A C41A C42A -32.1(14) . .
C38A C37A C41A C42A 162.1(9) . .
C41C C37A C41A C42A 37.6(17) . .
C36A C37A C41A C44A -151.2(7) . .
C38A C37A C41A C44A 43.0(11) . .
C41C C37A C41A C44A -82(2) . .
C36A C37A C41C C43C 147.7(8) . .
C38A C37A C41C C43C -43.0(12) . .
C41A C37A C41C C43C 24.8(15) . .
C36A C37A C41C C44C 26.8(14) . .
C38A C37A C41C C44C -163.9(11) . .
C41A C37A C41C C44C -96(2) . .
C36A C37A C41C C42C -95.4(10) . .
C38A C37A C41C C42C 73.9(12) . .
C41A C37A C41C C42C 142(3) . .
C40A C39A C45A C48A -69.7(7) . .
C38A C39A C45A C48A 108.7(7) . .
C40A C39A C45A C47A 48.6(8) . .
C38A C39A C45A C47A -132.9(6) . .
C40A C39A C45A C46A 172.1(5) . .
C38A C39A C45A C46A -9.5(8) . .
C4B N1B C1B C20B 167.0(4) . .
Ni2 N1B C1B C20B -13.3(6) . .
C4B N1B C1B C2B -2.0(5) . .
Ni2 N1B C1B C2B 177.8(3) . .
N1B C1B C2B C3B 2.2(5) . .
C20B C1B C2B C3B -166.8(4) . .
C1B C2B C3B C4B -1.4(5) . .
C1B C2B C3B C10P 174.2(5) . .
C1B N1B C4B C5B 168.0(5) . .
Ni2 N1B C4B C5B -11.8(7) . .
C1B N1B C4B C3B 1.0(5) . .
Ni2 N1B C4B C3B -178.7(3) . .
C2B C3B C4B C5B -166.4(5) . .
C10P C3B C4B C5B 17.9(8) . .
C2B C3B C4B N1B 0.3(5) . .
C10P C3B C4B N1B -175.4(5) . .
N1B C4B C5B C6B -9.2(8) . .
C3B C4B C5B C6B 156.0(5) . .
C4B C5B C6B N2B 11.5(9) . .
C4B C5B C6B C7B -161.5(5) . .
C9B N2B C6B C5B -172.0(5) . .
Ni2 N2B C6B C5B 7.2(7) . .
C9B N2B C6B C7B 2.0(6) . .
Ni2 N2B C6B C7B -178.8(3) . .
C5B C6B C7B C8B 169.8(5) . .
N2B C6B C7B C8B -4.2(6) . .
C5B C6B C7B C5P -13.2(9) . .
N2B C6B C7B C5P 172.8(5) . .
C6B C7B C8B C9B 4.5(6) . .
C5P C7B C8B C9B -172.4(6) . .
C6B N2B C9B C10B -168.0(5) . .
Ni2 N2B C9B C10B 12.8(7) . .
C6B N2B C9B C8B 0.8(5) . .
Ni2 N2B C9B C8B -178.4(3) . .
C7B C8B C9B N2B -3.5(6) . .
C7B C8B C9B C10B 165.7(5) . .
N2B C9B C10B C11B 4.0(8) . .
C8B C9B C10B C11B -163.3(5) . .
N2B C9B C10B C21B -179.7(5) . .
C8B C9B C10B C21B 12.9(7) . .
C9B C10B C11B N3B -5.3(7) . .
C21B C10B C11B N3B 178.6(4) . .
C9B C10B C11B C12B 171.2(5) . .
C21B C10B C11B C12B -4.9(8) . .
C14B N3B C11B C10B 175.2(4) . .
Ni2 N3B C11B C10B -10.4(6) . .
C14B N3B C11B C12B -1.8(5) . .
Ni2 N3B C11B C12B 172.6(3) . .
C10B C11B C12B C13B -173.6(5) . .
N3B C11B C12B C13B 3.3(6) . .
C11B C12B C13B C14B -3.3(6) . .
C11B C12B C13B C11P 174.8(5) . .
C11B N3B C14B C15B 170.4(4) . .
Ni2 N3B C14B C15B -4.2(7) . .
C11B N3B C14B C13B -0.2(5) . .
Ni2 N3B C14B C13B -174.9(3) . .
C12B C13B C14B C15B -168.6(4) . .
C11P C13B C14B C15B 13.4(8) . .
C12B C13B C14B N3B 2.2(5) . .
C11P C13B C14B N3B -175.9(5) . .
N3B C14B C15B C16B -10.1(7) . .
C13B C14B C15B C16B 159.2(5) . .
C19B N4B C16B C15B -169.6(4) . .
Ni2 N4B C16B C15B 5.9(6) . .
C19B N4B C16B C17B 0.1(5) . .
Ni2 N4B C16B C17B 175.6(3) . .
C14B C15B C16B N4B 9.2(7) . .
C14B C15B C16B C17B -159.3(4) . .
N4B C16B C17B C18B -2.0(5) . .
C15B C16B C17B C18B 167.7(4) . .
N4B C16B C17B C16P 179.8(4) . .
C15B C16B C17B C16P -10.5(7) . .
C16B C17B C18B C19B 3.0(5) . .
C16P C17B C18B C19B -178.8(4) . .
C16B N4B C19B C20B -174.4(4) . .
Ni2 N4B C19B C20B 10.2(6) . .
C16B N4B C19B C18B 1.8(5) . .
Ni2 N4B C19B C18B -173.6(3) . .
C17B C18B C19B N4B -3.1(5) . .
C17B C18B C19B C20B 173.0(4) . .
N1B C1B C20B C19B -4.9(7) . .
C2B C1B C20B C19B 162.7(4) . .
N1B C1B C20B C35B 179.7(4) . .
C2B C1B C20B C35B -12.7(7) . .
N4B C19B C20B C1B 6.3(7) . .
C18B C19B C20B C1B -169.4(4) . .
N4B C19B C20B C35B -178.4(4) . .
C18B C19B C20B C35B 5.9(7) . .
C11B C10B C21B C26B -114.5(6) . .
C9B C10B C21B C26B 69.3(6) . .
C11B C10B C21B C22B 69.3(6) . .
C9B C10B C21B C22B -106.9(6) . .
C26B C21B C22B C23B 1.2(7) . .
C10B C21B C22B C23B 177.4(5) . .
C21B C22B C23B C24B -1.2(8) . .
C21B C22B C23B C27B -178.7(6) . .
C22B C23B C24B C25B 0.8(9) . .
C27B C23B C24B C25B 178.3(7) . .
C23B C24B C25B C26B -0.3(8) . .
C23B C24B C25B C31B -170.4(8) . .
C23B C24B C25B C31D 167.8(10) . .
C22B C21B C26B C25B -0.7(7) . .
C10B C21B C26B C25B -176.9(4) . .
C24B C25B C26B C21B 0.3(7) . .
C31B C25B C26B C21B 169.4(8) . .
C31D C25B C26B C21B -169.5(8) . .
C22B C23B C27B C28B -41.7(13) . .
C24B C23B C27B C28B 140.8(10) . .
C22B C23B C27B C30B -172.2(7) . .
C24B C23B C27B C30B 10.3(11) . .
C22B C23B C27B C29B 78.4(9) . .
C24B C23B C27B C29B -99.0(10) . .
C24B C25B C31B C33B 81.8(11) . .
C26B C25B C31B C33B -87.2(12) . .
C31D C25B C31B C33B -151(4) . .
C24B C25B C31B C34B -41.1(13) . .
C26B C25B C31B C34B 149.9(8) . .
C31D C25B C31B C34B 87(3) . .
C24B C25B C31B C32B -154.1(9) . .
C26B C25B C31B C32B 36.9(14) . .
C31D C25B C31B C32B -26(2) . .
C24B C25B C31D C34D 45.2(17) . .
C26B C25B C31D C34D -146.6(12) . .
C31B C25B C31D C34D -19(2) . .
C24B C25B C31D C32D -72.2(14) . .
C26B C25B C31D C32D 96.0(12) . .
C31B C25B C31D C32D -137(3) . .
C24B C25B C31D C33D 166.9(10) . .
C26B C25B C31D C33D -24.9(16) . .
C31B C25B C31D C33D 103(3) . .
C1B C20B C35B C40B -71.1(6) . .
C19B C20B C35B C40B 113.4(5) . .
C1B C20B C35B C36B 105.5(5) . .
C19B C20B C35B C36B -70.0(6) . .
C40B C35B C36B C37B 0.8(7) . .
C20B C35B C36B C37B -175.8(4) . .
C35B C36B C37B C38B -1.4(7) . .
C35B C36B C37B C41B 178.1(5) . .
C36B C37B C38B C39B -0.7(8) . .
C41B C37B C38B C39B 179.8(5) . .
C37B C38B C39B C40B 3.3(8) . .
C37B C38B C39B C45B 167.8(8) . .
C37B C38B C39B C45D -167.9(8) . .
C36B C35B C40B C39B 2.0(7) . .
C20B C35B C40B C39B 178.5(4) . .
C38B C39B C40B C35B -3.9(7) . .
C45B C39B C40B C35B -166.2(8) . .
C45D C39B C40B C35B 168.5(7) . .
C36B C37B C41B C43B 171.9(5) . .
C38B C37B C41B C43B -8.6(8) . .
C36B C37B C41B C42B 47.1(8) . .
C38B C37B C41B C42B -133.4(6) . .
C36B C37B C41B C44B -68.9(7) . .
C38B C37B C41B C44B 110.7(7) . .
C40B C39B C45B C47B -36.1(16) . .
C38B C39B C45B C47B 161.3(11) . .
C45D C39B C45B C47B 30.7(17) . .
C40B C39B C45B C46B 83.5(11) . .
C38B C39B C45B C46B -79.1(10) . .
C45D C39B C45B C46B 150(2) . .
C40B C39B C45B C48B -152.2(8) . .
C38B C39B C45B C48B 45.2(13) . .
C45D C39B C45B C48B -85(2) . .
C40B C39B C45D C47D 148.2(9) . .
C38B C39B C45D C47D -40.5(14) . .
C45B C39B C45D C47D 21.9(16) . .
C40B C39B C45D C48D 24.2(17) . .
C38B C39B C45D C48D -164.4(13) . .
C45B C39B C45D C48D -102(3) . .
C40B C39B C45D C46D -98.3(10) . .
C38B C39B C45D C46D 73.0(13) . .
C45B C39B C45D C46D 135(3) . .
C5P N1P C1P C2P -3.5(7) . .
C5P N1P C1P C13A 170.6(4) . .
C12A C13A C1P N1P -127.5(5) . .
C14A C13A C1P N1P 51.7(7) . .
C12A C13A C1P C2P 46.7(8) . .
C14A C13A C1P C2P -134.0(5) . .
N1P C1P C2P C3P 4.0(8) . .
C13A C1P C2P C3P -169.8(5) . .
C1P C2P C3P C4P -2.8(8) . .
C2P C3P C4P C5P 1.3(8) . .
C1P N1P C5P C4P 1.8(7) . .
C1P N1P C5P C7B -173.1(4) . .
C3P C4P C5P N1P -0.7(8) . .
C3P C4P C5P C7B 174.0(5) . .
C8B C7B C5P N1P 127.0(6) . .
C6B C7B C5P N1P -49.3(8) . .
C8B C7B C5P C4P -47.9(9) . .
C6B C7B C5P C4P 135.7(6) . .
C10P N2P C6P C7P 2.8(6) . .
C10P N2P C6P C17A -170.9(4) . .
C18A C17A C6P N2P 127.4(5) . .
C16A C17A C6P N2P -53.3(6) . .
C18A C17A C6P C7P -46.3(7) . .
C16A C17A C6P C7P 133.0(5) . .
N2P C6P C7P C8P -0.2(7) . .
C17A C6P C7P C8P 173.1(4) . .
C6P C7P C8P C9P -3.1(7) . .
C7P C8P C9P C10P 3.8(7) . .
C8P C9P C10P N2P -1.1(8) . .
C8P C9P C10P C3B -176.4(4) . .
C6P N2P C10P C9P -2.2(7) . .
C6P N2P C10P C3B 173.5(4) . .
C2B C3B C10P C9P 49.4(8) . .
C4B C3B C10P C9P -135.8(5) . .
C2B C3B C10P N2P -126.3(5) . .
C4B C3B C10P N2P 48.4(7) . .
C15P N3P C11P C12P -0.7(7) . .
C15P N3P C11P C13B 172.7(4) . .
C12B C13B C11P N3P -126.4(5) . .
C14B C13B C11P N3P 51.3(7) . .
C12B C13B C11P C12P 47.2(7) . .
C14B C13B C11P C12P -135.0(5) . .
N3P C11P C12P C13P 2.6(8) . .
C13B C11P C12P C13P -170.5(4) . .
C11P C12P C13P C14P -2.3(8) . .
C12P C13P C14P C15P 0.2(8) . .
C18B C17B C16P N4P 127.7(5) . .
C16B C17B C16P N4P -54.5(6) . .
C18B C17B C16P C17P -45.2(7) . .
C16B C17B C16P C17P 132.6(5) . .
N4P C16P C17P C18P 1.3(7) . .
C17B C16P C17P C18P 173.6(4) . .
C16P C17P C18P C19P -4.8(7) . .
C17P C18P C19P C20P 5.0(7) . .
C6A N2A Ni1 N4A -59(10) . .
C9A N2A Ni1 N4A 120(10) . .
C6A N2A Ni1 N3A 160.8(4) . .
C9A N2A Ni1 N3A -19.8(4) . .
C6A N2A Ni1 N1A -19.6(4) . .
C9A N2A Ni1 N1A 159.8(4) . .
C16A N4A Ni1 N2A -154(10) . .
C19A N4A Ni1 N2A 20(11) . .
C16A N4A Ni1 N3A -14.2(3) . .
C19A N4A Ni1 N3A 159.8(4) . .
C16A N4A Ni1 N1A 166.3(4) . .
C19A N4A Ni1 N1A -19.7(4) . .
C14A N3A Ni1 N2A -167.1(4) . .
C11A N3A Ni1 N2A 19.6(3) . .
C14A N3A Ni1 N4A 13.5(4) . .
C11A N3A Ni1 N4A -159.8(3) . .
C14A N3A Ni1 N1A 132(33) . .
C11A N3A Ni1 N1A -41(23) . .
C4A N1A Ni1 N2A 22.0(4) . .
C1A N1A Ni1 N2A -158.1(4) . .
C4A N1A Ni1 N4A -158.6(4) . .
C1A N1A Ni1 N4A 21.3(4) . .
C4A N1A Ni1 N3A 83(22) . .
C1A N1A Ni1 N3A -97(22) . .
C1B N1B Ni2 N2B -157.8(4) . .
C4B N1B Ni2 N2B 21.9(4) . .
C1B N1B Ni2 N3B -132(13) . .
C4B N1B Ni2 N3B 48(13) . .
C1B N1B Ni2 N4B 21.2(4) . .
C4B N1B Ni2 N4B -159.1(4) . .
C9B N2B Ni2 N1B 159.6(4) . .
C6B N2B Ni2 N1B -19.4(4) . .
C9B N2B Ni2 N3B -20.1(4) . .
C6B N2B Ni2 N3B 160.9(4) . .
C9B N2B Ni2 N4B 84(10) . .
C6B N2B Ni2 N4B -95(10) . .
C14B N3B Ni2 N1B 167(100) . .
C11B N3B Ni2 N1B -7(13) . .
C14B N3B Ni2 N2B -167.6(4) . .
C11B N3B Ni2 N2B 19.1(4) . .
C14B N3B Ni2 N4B 13.4(4) . .
C11B N3B Ni2 N4B -159.9(4) . .
C16B N4B Ni2 N1B 166.0(4) . .
C19B N4B Ni2 N1B -19.6(4) . .
C16B N4B Ni2 N2B -118(10) . .
C19B N4B Ni2 N2B 56(10) . .
C16B N4B Ni2 N3B -14.3(3) . .
C19B N4B Ni2 N3B 160.1(4) . .
C11G C1G C2G C7G 7(2) . .
C5G C1G C2G C7G 154(2) . .
C11G C1G C2G C3G -146.8(17) . .
C5G C1G C2G C3G 0.0 . .
C7G C2G C3G C27G -11(2) . .
C1G C2G C3G C27G 144(2) . .
C7G C2G C3G C4G -155(2) . .
C1G C2G C3G C4G 0.0 . .
C27G C3G C4G C5G -146.1(19) . .
C2G C3G C4G C5G 0.0 . .
C27G C3G C4G C32G -8(3) . .
C2G C3G C4G C32G 138(2) . .
C3G C4G C5G C18G 140(2) . .
C32G C4G C5G C18G -1(3) . .
C3G C4G C5G C1G 0.0 . .
C32G C4G C5G C1G -141(2) . .
C11G C1G C5G C18G -4(2) . .
C2G C1G C5G C18G -146.4(18) . .
C11G C1G C5G C4G 143(2) . .
C2G C1G C5G C4G 0.0 . .
C17P C16P N4P C20P 2.1(6) . .
C17B C16P N4P C20P -170.7(4) . .
C3G C2G C7G C6G 142.3(16) . .
C1G C2G C7G C6G -8(3) . .
C3G C2G C7G C8G 12(2) . .
C1G C2G C7G C8G -137.8(18) . .
C12G C6G C7G C2G 1(2) . .
C10G C6G C7G C2G -132(2) . .
C12G C6G C7G C8G 133.7(17) . .
C10G C6G C7G C8G 0.0 . .
C2G C7G C8G C26G -11(2) . .
C6G C7G C8G C26G -146.3(19) . .
C2G C7G C8G C9G 135.4(18) . .
C6G C7G C8G C9G 0.0 . .
C26G C8G C9G C10G 149.2(17) . .
C7G C8G C9G C10G 0.0 . .
C26G C8G C9G C60G 1(2) . .
C7G C8G C9G C60G -148(2) . .
C8G C9G C10G C6G 0.0 . .
C60G C9G C10G C6G 147(2) . .
C8G C9G C10G C38G -145.4(18) . .
C60G C9G C10G C38G 2(2) . .
C12G C6G C10G C9G -132.2(17) . .
C7G C6G C10G C9G 0.0 . .
C12G C6G C10G C38G 3(3) . .
C7G C6G C10G C38G 135(2) . .
C2G C1G C11G C12G 1(2) . .
C5G C1G C11G C12G -139.2(16) . .
C2G C1G C11G C15G 138.6(14) . .
C5G C1G C11G C15G -1(2) . .
C7G C6G C12G C11G 6(2) . .
C10G C6G C12G C11G 135.2(16) . .
C7G C6G C12G C13G -140.4(14) . .
C10G C6G C12G C13G -11(2) . .
C1G C11G C12G C6G -7(2) . .
C15G C11G C12G C6G -149.9(19) . .
C1G C11G C12G C13G 142.4(18) . .
C15G C11G C12G C13G 0.0 . .
C6G C12G C13G C14G 151.6(17) . .
C11G C12G C13G C14G 0.0 . .
C6G C12G C13G C37G 10(2) . .
C11G C12G C13G C37G -141.6(15) . .
C12G C13G C14G C15G 0.0 . .
C37G C13G C14G C15G 140.7(17) . .
C12G C13G C14G C22G -139.8(16) . .
C37G C13G C14G C22G 0.9(17) . .
C1G C11G C15G C14G -141.9(18) . .
C12G C11G C15G C14G 0.0 . .
C1G C11G C15G C17G 2.5(17) . .
C12G C11G C15G C17G 144.4(15) . .
C13G C14G C15G C11G 0.0 . .
C22G C14G C15G C11G 139.3(15) . .
C13G C14G C15G C17G -140.6(15) . .
C22G C14G C15G C17G -1.3(18) . .
C9A C10A C11A N3A -4.0(7) . .
C21A C10A C11A N3A 179.5(4) . .
C9A C10A C11A C12A 170.2(4) . .
C21A C10A C11A C12A -6.4(7) . .
C14A N3A C11A C10A 173.8(4) . .
Ni1 N3A C11A C10A -11.8(6) . .
C14A N3A C11A C12A -1.2(5) . .
Ni1 N3A C11A C12A 173.2(3) . .
C13A C12A C11A C10A -171.8(4) . .
C13A C12A C11A N3A 3.2(5) . .
C20G C16G C17G C18G 0.0 . .
C23G C16G C17G C18G -147.0(19) . .
C20G C16G C17G C15G 141.9(14) . .
C23G C16G C17G C15G -5.1(18) . .
C11G C15G C17G C18G 1.9(17) . .
C14G C15G C17G C18G 139.8(14) . .
C11G C15G C17G C16G -135.2(12) . .
C14G C15G C17G C16G 2.8(17) . .
C4G C5G C18G C19G 2(2) . .
C1G C5G C18G C19G 140.2(14) . .
C4G C5G C18G C17G -130.2(19) . .
C1G C5G C18G C17G 8(2) . .
C16G C17G C18G C5G 133.2(18) . .
C15G C17G C18G C5G -8(2) . .
C16G C17G C18G C19G 0.0 . .
C15G C17G C18G C19G -141.1(15) . .
C5G C18G C19G C33G -1(2) . .
C17G C18G C19G C33G 139(2) . .
C5G C18G C19G C20G -139.3(18) . .
C17G C18G C19G C20G 0.0 . .
C33G C19G C20G C16G -144.8(18) . .
C18G C19G C20G C16G 0.0 . .
C33G C19G C20G C47G -5(3) . .
C18G C19G C20G C47G 139.8(19) . .
C17G C16G C20G C19G 0.0 . .
C23G C16G C20G C19G 144(2) . .
C17G C16G C20G C47G -152.5(13) . .
C23G C16G C20G C47G -8.3(17) . .
C36G C21G C22G C23G -145.1(12) . .
C25G C21G C22G C23G 0.0 . .
C36G C21G C22G C14G -3(2) . .
C25G C21G C22G C14G 142.5(13) . .
C13G C14G C22G C21G -1(2) . .
C15G C14G C22G C21G -136.6(18) . .
C13G C14G C22G C23G 137.8(15) . .
C15G C14G C22G C23G 2.6(17) . .
C21G C22G C23G C24G 0.0 . .
C14G C22G C23G C24G -144.9(12) . .
C21G C22G C23G C16G 140(2) . .
C14G C22G C23G C16G -5(2) . .
C17G C16G C23G C22G 7(2) . .
C20G C16G C23G C22G -134.4(17) . .
C17G C16G C23G C24G 143.0(14) . .
C20G C16G C23G C24G 2(2) . .
C22G C23G C24G C46G 143(2) . .
C16G C23G C24G C46G 1(2) . .
C22G C23G C24G C25G 0.0 . .
C16G C23G C24G C25G -141.9(19) . .
C46G C24G C25G C21G -146.0(17) . .
C23G C24G C25G C21G 0.0 . .
C46G C24G C25G C43G -7(2) . .
C23G C24G C25G C43G 138.8(19) . .
C36G C21G C25G C24G 141.1(15) . .
C22G C21G C25G C24G 0.0 . .
C36G C21G C25G C43G 3(3) . .
C22G C21G C25G C43G -138(2) . .
C9G C8G C26G C30G -1(2) . .
C7G C8G C26G C30G 142.7(17) . .
C9G C8G C26G C27G -137.2(18) . .
C7G C8G C26G C27G 6(2) . .
C2G C3G C27G C28G -132.6(19) . .
C4G C3G C27G C28G 8(3) . .
C2G C3G C27G C26G 5(2) . .
C4G C3G C27G C26G 145.6(17) . .
C8G C26G C27G C3G -3(2) . .
C30G C26G C27G C3G -144(2) . .
C8G C26G C27G C28G 141(2) . .
C30G C26G C27G C28G 0.0 . .
C3G C27G C28G C29G 140(2) . .
C26G C27G C28G C29G 0.0 . .
C3G C27G C28G C31G -8(2) . .
C26G C27G C28G C31G -148.4(13) . .
C27G C28G C29G C30G 0.0 . .
C31G C28G C29G C30G 143.2(14) . .
C27G C28G C29G C53G -145.2(10) . .
C31G C28G C29G C53G -2.0(18) . .
C8G C26G C30G C56G -2(2) . .
C27G C26G C30G C56G 138(2) . .
C8G C26G C30G C29G -141(2) . .
C27G C26G C30G C29G 0.0 . .
C28G C29G C30G C56G -143(3) . .
C53G C29G C30G C56G -4(2) . .
C28G C29G C30G C26G 0.0 . .
C53G C29G C30G C26G 139.0(13) . .
C27G C28G C31G C32G 9(3) . .
C29G C28G C31G C32G -132(3) . .
C27G C28G C31G C35G 139.5(17) . .
C29G C28G C31G C35G -2(2) . .
C35G C31G C32G C33G 8(3) . .
C28G C31G C32G C33G 140(3) . .
C35G C31G C32G C4G -141(2) . .
C28G C31G C32G C4G -9(4) . .
C5G C4G C32G C31G 144(2) . .
C3G C4G C32G C31G 9(4) . .
C5G C4G C32G C33G -1(4) . .
C3G C4G C32G C33G -136(3) . .
C31G C32G C33G C19G -146(3) . .
C4G C32G C33G C19G 2(4) . .
C31G C32G C33G C34G -8(3) . .
C4G C32G C33G C34G 140(3) . .
C18G C19G C33G C32G -1(3) . .
C20G C19G C33G C32G 136(3) . .
C18G C19G C33G C34G -136(2) . .
C20G C19G C33G C34G 1(3) . .
C32G C33G C34G C48G -136(2) . .
C19G C33G C34G C48G 2(3) . .
C32G C33G C34G C35G 5(3) . .
C19G C33G C34G C35G 142(2) . .
C32G C31G C35G C54G 138(3) . .
C28G C31G C35G C54G 2(3) . .
C32G C31G C35G C34G -5(3) . .
C28G C31G C35G C34G -141.1(19) . .
C48G C34G C35G C54G -10(3) . .
C33G C34G C35G C54G -146(2) . .
C48G C34G C35G C31G 137(2) . .
C33G C34G C35G C31G 0(2) . .
C11A C10A C9A N2A 4.0(8) . .
C21A C10A C9A N2A -179.4(4) . .
C11A C10A C9A C8A -164.1(5) . .
C21A C10A C9A C8A 12.5(7) . .
C6A N2A C9A C10A -168.3(5) . .
Ni1 N2A C9A C10A 12.2(7) . .
C6A N2A C9A C8A 1.1(5) . .
Ni1 N2A C9A C8A -178.3(3) . .
C7A C8A C9A C10A 167.5(5) . .
C7A C8A C9A N2A -2.4(6) . .
C22G C21G C36G C40G 145.5(18) . .
C25G C21G C36G C40G 7(2) . .
C22G C21G C36G C37G 8(2) . .
C25G C21G C36G C37G -131(2) . .
C21G C36G C37G C38G 138.7(19) . .
C40G C36G C37G C38G 0.0 . .
C21G C36G C37G C13G -8.3(19) . .
C40G C36G C37G C13G -147.0(17) . .
C14G C13G C37G C38G -136.1(16) . .
C12G C13G C37G C38G 1(2) . .
C14G C13G C37G C36G 3.3(17) . .
C12G C13G C37G C36G 140.0(13) . .
C36G C37G C38G C39G 0.0 . .
C13G C37G C38G C39G 141.2(18) . .
C36G C37G C38G C10G -148.9(15) . .
C13G C37G C38G C10G -8(2) . .
C9G C10G C38G C37G 141.3(13) . .
C6G C10G C38G C37G 6(2) . .
C9G C10G C38G C39G 5(2) . .
C6G C10G C38G C39G -130(2) . .
C37G C38G C39G C59G -142.0(19) . .
C10G C38G C39G C59G -7(2) . .
C37G C38G C39G C40G 0.0 . .
C10G C38G C39G C40G 135(2) . .
C21G C36G C40G C39G -146.1(15) . .
C37G C36G C40G C39G 0.0 . .
C21G C36G C40G C42G -15(2) . .
C37G C36G C40G C42G 130.8(17) . .
C59G C39G C40G C36G 129(2) . .
C38G C39G C40G C36G 0.0 . .
C59G C39G C40G C42G -14(2) . .
C38G C39G C40G C42G -142.8(15) . .
N1A C1A C20A C19A -6.0(7) . .
C2A C1A C20A C19A 162.1(4) . .
N1A C1A C20A C35A 179.7(4) . .
C2A C1A C20A C35A -12.2(6) . .
C36A C35A C20A C1A -71.0(6) . .
C40A C35A C20A C1A 104.9(5) . .
C36A C35A C20A C19A 114.6(5) . .
C40A C35A C20A C19A -69.5(6) . .
C45G C41G C42G C43G 0.0 . .
C58G C41G C42G C43G -136.2(18) . .
C45G C41G C42G C40G 142(2) . .
C58G C41G C42G C40G 6(3) . .
C36G C40G C42G C41G -129(2) . .
C39G C40G C42G C41G 2(2) . .
C36G C40G C42G C43G 12(2) . .
C39G C40G C42G C43G 143.2(14) . .
C41G C42G C43G C44G 0.0 . .
C40G C42G C43G C44G -150.6(16) . .
C41G C42G C43G C25G 151(2) . .
C40G C42G C43G C25G 0(2) . .
C24G C25G C43G C44G 6(2) . .
C21G C25G C43G C44G 140.0(18) . .
C24G C25G C43G C42G -140.9(18) . .
C21G C25G C43G C42G -7(3) . .
C42G C43G C44G C50G 147.5(19) . .
C25G C43G C44G C50G -3(2) . .
C42G C43G C44G C45G 0.0 . .
C25G C43G C44G C45G -151(2) . .
C42G C41G C45G C51G -136(2) . .
C58G C41G C45G C51G -7(2) . .
C42G C41G C45G C44G 0.0 . .
C58G C41G C45G C44G 128(2) . .
C50G C44G C45G C51G -2(3) . .
C43G C44G C45G C51G 139.1(18) . .
C50G C44G C45G C41G -141(2) . .
C43G C44G C45G C41G 0.0 . .
C25A C26A C21A C22A -1.6(7) . .
C25A C26A C21A C10A -176.7(5) . .
C23A C22A C21A C26A 1.9(7) . .
C23A C22A C21A C10A 177.1(5) . .
C9A C10A C21A C26A 69.4(6) . .
C11A C10A C21A C26A -114.0(6) . .
C9A C10A C21A C22A -105.7(6) . .
C11A C10A C21A C22A 70.9(6) . .
C25G C24G C46G C50G 7(2) . .
C23G C24G C46G C50G -133.0(19) . .
C25G C24G C46G C47G 144.7(14) . .
C23G C24G C46G C47G 5(2) . .
C24G C46G C47G C48G -144.1(16) . .
C50G C46G C47G C48G 0.0 . .
C24G C46G C47G C20G -15(2) . .
C50G C46G C47G C20G 129.2(16) . .
C19G C20G C47G C48G 6(2) . .
C16G C20G C47G C48G 146.1(10) . .
C19G C20G C47G C46G -125(2) . .
C16G C20G C47G C46G 15.7(17) . .
C35G C34G C48G C49G 10(2) . .
C33G C34G C48G C49G 138.3(18) . .
C35G C34G C48G C47G -129.1(19) . .
C33G C34G C48G C47G -1(3) . .
C46G C47G C48G C34G 140.2(19) . .
C20G C47G C48G C34G -2(2) . .
C46G C47G C48G C49G 0.0 . .
C20G C47G C48G C49G -142.4(13) . .
C34G C48G C49G C55G -2.7(18) . .
C47G C48G C49G C55G 144.7(16) . .
C34G C48G C49G C50G -147.5(15) . .
C47G C48G C49G C50G 0.0 . .
C43G C44G C50G C49G -140.4(14) . .
C45G C44G C50G C49G -1(2) . .
C43G C44G C50G C46G 3(2) . .
C45G C44G C50G C46G 141.9(19) . .
C55G C49G C50G C44G 1.5(18) . .
C48G C49G C50G C44G 149.2(18) . .
C55G C49G C50G C46G -147.8(14) . .
C48G C49G C50G C46G 0.0 . .
C24G C46G C50G C44G -5(2) . .
C47G C46G C50G C44G -145.6(19) . .
C24G C46G C50G C49G 140.8(17) . .
C47G C46G C50G C49G 0.0 . .
C16A N4A C19A C18A 2.2(5) . .
Ni1 N4A C19A C18A -172.8(3) . .
C16A N4A C19A C20A -175.5(4) . .
Ni1 N4A C19A C20A 9.5(6) . .
C17A C18A C19A N4A -3.6(5) . .
C17A C18A C19A C20A 174.1(4) . .
C1A C20A C19A N4A 7.8(7) . .
C35A C20A C19A N4A -178.2(4) . .
C1A C20A C19A C18A -169.6(4) . .
C35A C20A C19A C18A 4.4(7) . .
C41G C45G C51G C55G 137.0(18) . .
C44G C45G C51G C55G 4(2) . .
C41G C45G C51G C52G -5(2) . .
C44G C45G C51G C52G -137.9(15) . .
C45G C51G C52G C53G 147(2) . .
C55G C51G C52G C53G 0.0 . .
C45G C51G C52G C57G 11(2) . .
C55G C51G C52G C57G -135.9(17) . .
C51G C52G C53G C54G 0.0 . .
C57G C52G C53G C54G 139.8(16) . .
C51G C52G C53G C29G -141.9(11) . .
C57G C52G C53G C29G -2.1(17) . .
C30G C29G C53G C52G 4.4(17) . .
C28G C29G C53G C52G 141.8(16) . .
C30G C29G C53G C54G -131.7(18) . .
C28G C29G C53G C54G 5.7(18) . .
C31G C35G C54G C55G -140(2) . .
C34G C35G C54G C55G 2(2) . .
C31G C35G C54G C53G 1(3) . .
C34G C35G C54G C53G 142.8(15) . .
C52G C53G C54G C35G -145(2) . .
C29G C53G C54G C35G -6(2) . .
C52G C53G C54G C55G 0.0 . .
C29G C53G C54G C55G 139.2(14) . .
C48G C49G C55G C51G -141.2(14) . .
C50G C49G C55G C51G 0.6(16) . .
C48G C49G C55G C54G -4(2) . .
C50G C49G C55G C54G 137.8(13) . .
C45G C51G C55G C49G -4(2) . .
C52G C51G C55G C49G 141.7(13) . .
C45G C51G C55G C54G -145(2) . .
C52G C51G C55G C54G 0.0 . .
C35G C54G C55G C49G 4(2) . .
C53G C54G C55G C49G -141.4(15) . .
C35G C54G C55G C51G 145.6(19) . .
C53G C54G C55G C51G 0.0 . .
C16P N4P C20P C19P -2.0(7) . .
C16P N4P C20P C3A 173.5(4) . 2_656
C18P C19P C20P N4P -1.5(7) . .
C18P C19P C20P C3A -176.7(4) . 2_656
C26G C30G C56G C57G -133.9(18) . .
C29G C30G C56G C57G 2(3) . .
C26G C30G C56G C60G 4(3) . .
C29G C30G C56G C60G 140.7(17) . .
C30G C56G C57G C58G 141(3) . .
C60G C56G C57G C58G 0.0 . .
C30G C56G C57G C52G -1(3) . .
C60G C56G C57G C52G -142(2) . .
C53G C52G C57G C58G -138.7(15) . .
C51G C52G C57G C58G -5(2) . .
C53G C52G C57G C56G 1(2) . .
C51G C52G C57G C56G 134.0(17) . .
C56G C57G C58G C59G 0.0 . .
C52G C57G C58G C59G 145.6(17) . .
C56G C57G C58G C41G -152(2) . .
C52G C57G C58G C41G -6(2) . .
C42G C41G C58G C57G 140.7(17) . .
C45G C41G C58G C57G 13(2) . .
C42G C41G C58G C59G -4(2) . .
C45G C41G C58G C59G -132(2) . .
C38G C39G C59G C60G 2(3) . .
C40G C39G C59G C60G -128(3) . .
C38G C39G C59G C58G 145.7(14) . .
C40G C39G C59G C58G 16(3) . .
C57G C58G C59G C39G -152(2) . .
C41G C58G C59G C39G -5(2) . .
C57G C58G C59G C60G 0.0 . .
C41G C58G C59G C60G 147(3) . .
C39G C59G C60G C56G 145(3) . .
C58G C59G C60G C56G 0.0 . .
C39G C59G C60G C9G 4(3) . .
C58G C59G C60G C9G -141(2) . .
C30G C56G C60G C59G -144(3) . .
C57G C56G C60G C59G 0.0 . .
C30G C56G C60G C9G -4(2) . .
C57G C56G C60G C9G 141(2) . .
C8G C9G C60G C59G 138(2) . .
C10G C9G C60G C59G -6(3) . .
C8G C9G C60G C56G 1(3) . .
C10G C9G C60G C56G -142.4(18) . .
C11P N3P C15P C14P -1.7(7) . .
C11P N3P C15P C7A -174.3(4) . 2_656
C13P C14P C15P N3P 1.9(8) . .
C13P C14P C15P C7A 174.3(5) . 2_656
C7F C1F C2F C50F -3(2) . .
C5F C1F C2F C50F -143.5(18) . .
C7F C1F C2F C3F 140.6(16) . .
C5F C1F C2F C3F 0.0 . .
C50F C2F C3F C4F 140(2) . .
C1F C2F C3F C4F 0.0 . .
C50F C2F C3F C22F 6(2) . .
C1F C2F C3F C22F -133.9(18) . .
C2F C3F C4F C5F 0.0 . .
C22F C3F C4F C5F 137.9(16) . .
C2F C3F C4F C16F -142.4(13) . .
C22F C3F C4F C16F -4.5(17) . .
C3F C4F C5F C1F 0.0 . .
C16F C4F C5F C1F 140.0(16) . .
C3F C4F C5F C12F -145.7(18) . .
C16F C4F C5F C12F -5.7(19) . .
C7F C1F C5F C4F -144.3(16) . .
C2F C1F C5F C4F 0.0 . .
C7F C1F C5F C12F 3(2) . .
C2F C1F C5F C12F 147.7(16) . .
C2F C1F C7F C6F 2.6(19) . .
C5F C1F C7F C6F 140.6(14) . .
C2F C1F C7F C8F -139.7(17) . .
C5F C1F C7F C8F -2(2) . .
C46F C6F C7F C1F -5(2) . .
C10F C6F C7F C1F -150.0(16) . .
C46F C6F C7F C8F 145(2) . .
C10F C6F C7F C8F 0.0 . .
C1F C7F C8F C11F 2(2) . .
C6F C7F C8F C11F -142.3(17) . .
C1F C7F C8F C9F 144(2) . .
C6F C7F C8F C9F 0.0 . .
C11F C8F C9F C10F 140.0(18) . .
C7F C8F C9F C10F 0.0 . .
C11F C8F C9F C39F 1(2) . .
C7F C8F C9F C39F -138.6(16) . .
C8F C9F C10F C45F -146.7(17) . .
C39F C9F C10F C45F -12(2) . .
C8F C9F C10F C6F 0.0 . .
C39F C9F C10F C6F 134.7(17) . .
C46F C6F C10F C45F -5(2) . .
C7F C6F C10F C45F 143.9(18) . .
C46F C6F C10F C9F -149.2(18) . .
C7F C6F C10F C9F 0.0 . .
C33F C56F C57F C58F 138(2) . .
C60F C56F C57F C58F -9(3) . .
C33F C56F C57F C43F 7(3) . .
C60F C56F C57F C43F -140(2) . .
C9F C8F C11F C15F -3(2) . .
C7F C8F C11F C15F 133.9(17) . .
C9F C8F C11F C12F -140.0(16) . .
C7F C8F C11F C12F -3(2) . .
C8F C11F C12F C13F 141.8(17) . .
C15F C11F C12F C13F 0.0 . .
C8F C11F C12F C5F 5.2(19) . .
C15F C11F C12F C5F -136.6(16) . .
C4F C5F C12F C13F 3.9(19) . .
C1F C5F C12F C13F -138.4(14) . .
C4F C5F C12F C11F 137.0(14) . .
C1F C5F C12F C11F -5.3(19) . .
C11F C12F C13F C14F 0.0 . .
C5F C12F C13F C14F 138.3(17) . .
C11F C12F C13F C20F -140.3(14) . .
C5F C12F C13F C20F -1.9(17) . .
C12F C13F C14F C51F -147.8(18) . .
C20F C13F C14F C51F -7.0(19) . .
C12F C13F C14F C15F 0.0 . .
C20F C13F C14F C15F 140.8(15) . .
C8F C11F C15F C38F 3(2) . .
C12F C11F C15F C38F 144.4(17) . .
C8F C11F C15F C14F -141.5(18) . .
C12F C11F C15F C14F 0.0 . .
C51F C14F C15F C38F 1(2) . .
C13F C14F C15F C38F -146.8(19) . .
C51F C14F C15F C11F 147.9(18) . .
C13F C14F C15F C11F 0.0 . .
C56F C57F C58F C36F -139(2) . .
C43F C57F C58F C36F -2(3) . .
C56F C57F C58F C59F 7(2) . .
C43F C57F C58F C59F 143.9(17) . .
C5F C4F C16F C20F 5.2(17) . .
C3F C4F C16F C20F 141.9(15) . .
C5F C4F C16F C17F -131.1(16) . .
C3F C4F C16F C17F 5.6(16) . .
C20F C16F C17F C23F -148(2) . .
C4F C16F C17F C23F -9(2) . .
C20F C16F C17F C18F 0.0 . .
C4F C16F C17F C18F 138.5(12) . .
C23F C17F C18F C27F 0(2) . .
C16F C17F C18F C27F -144(2) . .
C23F C17F C18F C19F 144(2) . .
C16F C17F C18F C19F 0.0 . .
C27F C18F C19F C20F 148(2) . .
C17F C18F C19F C20F 0.0 . .
C27F C18F C19F C52F 6(2) . .
C17F C18F C19F C52F -141.1(17) . .
C18F C19F C20F C16F 0.0 . .
C52F C19F C20F C16F 141.0(18) . .
C18F C19F C20F C13F -143.2(11) . .
C52F C19F C20F C13F -2.2(19) . .
C17F C16F C20F C19F 0.0 . .
C4F C16F C20F C19F -143.2(10) . .
C17F C16F C20F C13F 139.9(12) . .
C4F C16F C20F C13F -3.4(16) . .
C14F C13F C20F C19F 2.9(16) . .
C12F C13F C20F C19F 139.1(13) . .
C14F C13F C20F C16F -134.0(18) . .
C12F C13F C20F C16F 2.1(17) . .
C36F C58F C59F C54F 7(2) . .
C57F C58F C59F C54F -143(2) . .
C36F C58F C59F C60F 146.6(17) . .
C57F C58F C59F C60F -3(2) . .
C25F C21F C22F C23F 0.0 . .
C49F C21F C22F C23F -156(2) . .
C25F C21F C22F C3F 151.7(18) . .
C49F C21F C22F C3F -4(2) . .
C2F C3F C22F C23F 139.8(17) . .
C4F C3F C22F C23F 8(2) . .
C2F C3F C22F C21F -6(2) . .
C4F C3F C22F C21F -137.9(16) . .
C18F C17F C23F C24F 4(2) . .
C16F C17F C23F C24F 145.2(16) . .
C18F C17F C23F C22F -129.7(19) . .
C16F C17F C23F C22F 12(3) . .
C21F C22F C23F C17F 136(2) . .
C3F C22F C23F C17F -12(3) . .
C21F C22F C23F C24F 0.0 . .
C3F C22F C23F C24F -149.0(19) . .
C17F C23F C24F C26F -6(2) . .
C22F C23F C24F C26F 133(2) . .
C17F C23F C24F C25F -139(2) . .
C22F C23F C24F C25F 0.0 . .
C26F C24F C25F C35F 10(3) . .
C23F C24F C25F C35F 139(2) . .
C26F C24F C25F C21F -129(2) . .
C23F C24F C25F C21F 0.0 . .
C22F C21F C25F C35F -146(2) . .
C49F C21F C25F C35F 3(2) . .
C22F C21F C25F C24F 0.0 . .
C49F C21F C25F C24F 149(3) . .
C23F C24F C26F C27F 6(3) . .
C25F C24F C26F C27F 134(2) . .
C23F C24F C26F C30F -143.2(15) . .
C25F C24F C26F C30F -16(2) . .
C19F C18F C27F C28F -3(3) . .
C17F C18F C27F C28F 138.7(19) . .
C19F C18F C27F C26F -142.3(14) . .
C17F C18F C27F C26F -1(2) . .
C24F C26F C27F C18F -3(3) . .
C30F C26F C27F C18F 148.7(18) . .
C24F C26F C27F C28F -151(2) . .
C30F C26F C27F C28F 0.0 . .
C18F C27F C28F C29F -141(2) . .
C26F C27F C28F C29F 0.0 . .
C18F C27F C28F C53F -6(3) . .
C26F C27F C28F C53F 134.6(17) . .
C27F C28F C29F C30F 0.0 . .
C53F C28F C29F C30F -133.5(19) . .
C27F C28F C29F C60F 136.8(18) . .
C53F C28F C29F C60F 3(2) . .
C28F C29F C30F C26F 0.0 . .
C60F C29F C30F C26F -139.1(16) . .
C28F C29F C30F C34F 143.4(19) . .
C60F C29F C30F C34F 4.4(19) . .
C24F C26F C30F C29F 155.9(19) . .
C27F C26F C30F C29F 0.0 . .
C24F C26F C30F C34F 12.2(19) . .
C27F C26F C30F C34F -143.7(19) . .
C35F C31F C32F C33F 0.0 . .
C48F C31F C32F C33F 146.5(19) . .
C35F C31F C32F C42F -146.8(16) . .
C48F C31F C32F C42F 0(2) . .
C60F C56F C33F C34F 2(3) . .
C57F C56F C33F C34F -143(2) . .
C60F C56F C33F C32F 141.7(17) . .
C57F C56F C33F C32F -3(3) . .
C31F C32F C33F C56F -146(2) . .
C42F C32F C33F C56F 0(2) . .
C31F C32F C33F C34F 0.0 . .
C42F C32F C33F C34F 146.0(16) . .
C56F C33F C34F C35F 143(2) . .
C32F C33F C34F C35F 0.0 . .
C56F C33F C34F C30F 4(2) . .
C32F C33F C34F C30F -139.4(16) . .
C29F C30F C34F C33F -7(2) . .
C26F C30F C34F C33F 132.6(15) . .
C29F C30F C34F C35F -140.8(16) . .
C26F C30F C34F C35F -2(2) . .
C24F C25F C35F C31F -135(2) . .
C21F C25F C35F C31F 2(2) . .
C24F C25F C35F C34F 1(3) . .
C21F C25F C35F C34F 138.8(16) . .
C32F C31F C35F C25F 139(2) . .
C48F C31F C35F C25F -6(2) . .
C32F C31F C35F C34F 0.0 . .
C48F C31F C35F C34F -145(2) . .
C33F C34F C35F C25F -143(2) . .
C30F C34F C35F C25F -5(2) . .
C33F C34F C35F C31F 0.0 . .
C30F C34F C35F C31F 137.7(18) . .
C57F C58F C36F C40F 4(2) . .
C59F C58F C36F C40F -139.7(16) . .
C57F C58F C36F C37F 139(2) . .
C59F C58F C36F C37F -5(2) . .
C58F C36F C37F C55F 0(3) . .
C40F C36F C37F C55F 139(2) . .
C58F C36F C37F C38F -139.3(16) . .
C40F C36F C37F C38F 0.0 . .
C11F C15F C38F C39F -1(2) . .
C14F C15F C38F C39F 139.7(16) . .
C11F C15F C38F C37F -139.4(18) . .
C14F C15F C38F C37F 2(2) . .
C55F C37F C38F C15F -6(2) . .
C36F C37F C38F C15F 140(2) . .
C55F C37F C38F C39F -146.5(17) . .
C36F C37F C38F C39F 0.0 . .
C15F C38F C39F C40F -145.0(14) . .
C37F C38F C39F C40F 0.0 . .
C15F C38F C39F C9F 0(2) . .
C37F C38F C39F C9F 144.9(19) . .
C10F C9F C39F C40F 10(2) . .
C8F C9F C39F C40F 142.2(14) . .
C10F C9F C39F C38F -132.2(19) . .
C8F C9F C39F C38F 0(2) . .
C38F C39F C40F C36F 0.0 . .
C9F C39F C40F C36F -148.2(18) . .
C38F C39F C40F C44F 147(2) . .
C9F C39F C40F C44F -1.6(18) . .
C58F C36F C40F C39F 139.5(14) . .
C37F C36F C40F C39F 0.0 . .
C58F C36F C40F C44F -6(2) . .
C37F C36F C40F C44F -146(2) . .
C47F C41F C42F C43F -147(3) . .
C45F C41F C42F C43F 0.0 . .
C47F C41F C42F C32F -3(3) . .
C45F C41F C42F C32F 143.8(16) . .
C33F C32F C42F C43F 1(2) . .
C31F C32F C42F C43F 143(2) . .
C33F C32F C42F C41F -138.0(18) . .
C31F C32F C42F C41F 4(2) . .
C41F C42F C43F C44F 0.0 . .
C32F C42F C43F C44F -142.8(13) . .
C41F C42F C43F C57F 144.7(15) . .
C32F C42F C43F C57F 2(2) . .
C56F C57F C43F C42F -5(3) . .
C58F C57F C43F C42F -136(2) . .
C56F C57F C43F C44F 132(2) . .
C58F C57F C43F C44F 2(3) . .
C42F C43F C44F C45F 0.0 . .
C57F C43F C44F C45F -140.2(14) . .
C42F C43F C44F C40F 136(3) . .
C57F C43F C44F C40F -4(3) . .
C39F C40F C44F C45F -4(2) . .
C36F C40F C44F C45F 137.7(18) . .
C39F C40F C44F C43F -135.6(16) . .
C36F C40F C44F C43F 6(3) . .
C9F C10F C45F C44F 6(2) . .
C6F C10F C45F C44F -135(2) . .
C9F C10F C45F C41F 140.8(16) . .
C6F C10F C45F C41F 0(2) . .
C43F C44F C45F C10F 137(2) . .
C40F C44F C45F C10F 2(2) . .
C43F C44F C45F C41F 0.0 . .
C40F C44F C45F C41F -135(2) . .
C47F C41F C45F C10F 3(2) . .
C42F C41F C45F C10F -142(2) . .
C47F C41F C45F C44F 145(3) . .
C42F C41F C45F C44F 0.0 . .
C7F C6F C46F C47F -135(2) . .
C10F C6F C46F C47F 8(2) . .
C7F C6F C46F C50F 6(3) . .
C10F C6F C46F C50F 149.0(15) . .
C42F C41F C47F C46F 141(2) . .
C45F C41F C47F C46F -1(3) . .
C42F C41F C47F C48F -1(3) . .
C45F C41F C47F C48F -143(2) . .
C6F C46F C47F C41F -5(3) . .
C50F C46F C47F C41F -149(2) . .
C6F C46F C47F C48F 143(2) . .
C50F C46F C47F C48F 0.0 . .
C41F C47F C48F C49F 144(3) . .
C46F C47F C48F C49F 0.0 . .
C41F C47F C48F C31F 5(3) . .
C46F C47F C48F C31F -139.4(19) . .
C35F C31F C48F C49F 4(2) . .
C32F C31F C48F C49F -137.2(18) . .
C35F C31F C48F C47F 137.9(17) . .
C32F C31F C48F C47F -4(2) . .
C47F C48F C49F C50F 0.0 . .
C31F C48F C49F C50F 136.5(19) . .
C47F C48F C49F C21F -135.9(17) . .
C31F C48F C49F C21F 1(2) . .
C22F C21F C49F C50F 16(2) . .
C25F C21F C49F C50F -132(2) . .
C22F C21F C49F C48F 143.4(16) . .
C25F C21F C49F C48F -5(3) . .
C3F C2F C50F C49F 5(2) . .
C1F C2F C50F C49F 142.5(16) . .
C3F C2F C50F C46F -132.9(17) . .
C1F C2F C50F C46F 4(2) . .
C48F C49F C50F C2F -144(2) . .
C21F C49F C50F C2F -17(2) . .
C48F C49F C50F C46F 0.0 . .
C21F C49F C50F C46F 126.8(18) . .
C6F C46F C50F C2F -6(2) . .
C47F C46F C50F C2F 141(2) . .
C6F C46F C50F C49F -147(2) . .
C47F C46F C50F C49F 0.0 . .
C13F C14F C51F C52F 10(2) . .
C15F C14F C51F C52F -133.5(16) . .
C13F C14F C51F C55F 144.7(14) . .
C15F C14F C51F C55F 1(2) . .
C14F C51F C52F C53F 138.2(17) . .
C55F C51F C52F C53F 0.0 . .
C14F C51F C52F C19F -9(2) . .
C55F C51F C52F C19F -147.6(18) . .
C18F C19F C52F C51F 142.0(16) . .
C20F C19F C52F C51F 5(2) . .
C18F C19F C52F C53F -1.8(19) . .
C20F C19F C52F C53F -138.4(15) . .
C51F C52F C53F C54F 0.0 . .
C19F C52F C53F C54F 148.6(18) . .
C51F C52F C53F C28F -155.1(18) . .
C19F C52F C53F C28F -6.6(19) . .
C27F C28F C53F C54F -138.9(17) . .
C29F C28F C53F C54F -9(2) . .
C27F C28F C53F C52F 10.0(19) . .
C29F C28F C53F C52F 140.0(15) . .
C58F C59F C54F C53F 134.0(16) . .
C60F C59F C54F C53F 2(2) . .
C58F C59F C54F C55F -4(2) . .
C60F C59F C54F C55F -136(2) . .
C52F C53F C54F C59F -145.3(16) . .
C28F C53F C54F C59F 6(2) . .
C52F C53F C54F C55F 0.0 . .
C28F C53F C54F C55F 151(2) . .
C38F C37F C55F C54F 141.1(14) . .
C36F C37F C55F C54F 3(2) . .
C38F C37F C55F C51F 9(2) . .
C36F C37F C55F C51F -129(2) . .
C59F C54F C55F C37F -0.8(19) . .
C53F C54F C55F C37F -140.9(16) . .
C59F C54F C55F C51F 140.1(18) . .
C53F C54F C55F C51F 0.0 . .
C14F C51F C55F C37F -7(2) . .
C52F C51F C55F C37F 133.1(19) . .
C14F C51F C55F C54F -139.8(16) . .
C52F C51F C55F C54F 0.0 . .
C33F C56F C60F C29F -4(3) . .
C57F C56F C60F C29F 145(2) . .
C33F C56F C60F C59F -142.6(19) . .
C57F C56F C60F C59F 6(2) . .
C30F C29F C60F C56F 1(2) . .
C28F C29F C60F C56F -132(2) . .
C30F C29F C60F C59F 136.9(16) . .
C28F C29F C60F C59F 3(2) . .
C54F C59F C60F C56F 136.6(19) . .
C58F C59F C60F C56F -1.8(19) . .
C54F C59F C60F C29F -7(3) . .
C58F C59F C60F C29F -145.0(16) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.329 0.500 0.103 6884.7 2972.6
2 0.750 0.749 0.250 22.6 -4.1
3 0.750 0.251 0.250 21.0 -3.4
4 0.250 0.842 0.250 18.3 -6.7
5 0.250 0.250 0.750 22.6 -4.2
6 0.750 0.158 0.750 18.4 -6.8
7 0.250 0.749 0.750 21.0 -3.3
