#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:14:26 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178806 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/60/4106023.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_4106023
loop_
_publ_author_name
'Hua Yang'
'Hongxiao Jin'
'Hongyu Zhen'
'Zhimin Wang'
'Ziyang Liu'
'Christine M. Beavers'
'Brandon Q. Mercado'
'Marilyn M. Olmstead'
'Alan L. Balch'
_publ_section_title
;
 Isolation and Crystallographic Identification of Four Isomers of Sm@C90
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6299
_journal_page_last               6306
_journal_paper_doi               10.1021/ja111465n
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C90 Sm, C36 H44 N4 Ni, 2(C6 H5 Cl)'
_chemical_formula_sum            'C138 H54 Cl2 N4 Ni Sm'
_chemical_formula_weight         2047.81
_chemical_name_common            Sm@C2(40)-C90.Ni(OEP).2chlorobenzene
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.899(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.283(2)
_cell_length_b                   15.3956(12)
_cell_length_c                   20.7739(17)
_cell_measurement_reflns_used    9692
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.1
_cell_measurement_theta_min      8.9
_cell_volume                     8056.6(11)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'Apex2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART ApexII'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  silicon(111)
_diffrn_radiation_source         'Beamline 11.3.1, ALS'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            129476
_diffrn_reflns_theta_full        31.50
_diffrn_reflns_theta_max         31.50
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    1.094
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.701
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             4136
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.208
_refine_diff_density_min         -0.881
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1175
_refine_ls_number_reflns         10693
_refine_ls_number_restraints     3169
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1010P)²+25.5180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1809
_refine_ls_wR_factor_ref         0.1824
_reflns_number_gt                10255
_reflns_number_total             10693
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja111465n_si_001.cif
_cod_data_source_block           cb120
_cod_original_cell_volume        8056.7(11)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4106023
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 0.63481(6) 0.55913(11) 0.11720(6) 0.0487(3) Uani 0.13 1 d PU . .
Sm2 Sm 0.72338(5) 0.58350(8) 0.26214(5) 0.0443(3) Uani 0.13 1 d PU . .
Sm3 Sm 0.69114(9) 0.62541(10) 0.23254(10) 0.0436(5) Uani 0.08 1 d PU . .
Sm4 Sm 0.74600(10) 0.5000 0.27337(11) 0.0660(8) Uani 0.10 2 d SPU . .
Sm5 Sm 0.65926(10) 0.61635(17) 0.14179(14) 0.0344(5) Uani 0.05 1 d PU . .
Sm6 Sm 0.61832(13) 0.5230(3) 0.13362(19) 0.0393(10) Uani 0.04 1 d PU . .
Sm7 Sm 0.6602(4) 0.6243(7) 0.2068(5) 0.0226(18) Uiso 0.01 1 d PU . .
Sm8 Sm 0.6414(5) 0.6022(8) 0.1640(6) 0.026(2) Uiso 0.01 1 d PU . .
C1_1 C 0.6596(4) 0.7831(6) 0.1228(4) 0.047(2) Uani 0.46 1 d PDU . -1
C2_1 C 0.6082(6) 0.7421(10) 0.1162(6) 0.051(3) Uani 0.46 1 d PDU . -1
C3_1 C 0.5836(4) 0.6919(6) 0.0689(4) 0.050(2) Uani 0.46 1 d PDU . -1
C4_1 C 0.6187(4) 0.6663(5) 0.0202(3) 0.065(2) Uani 0.46 1 d PDU . -1
C5_1 C 0.6730(5) 0.6936(5) 0.0289(4) 0.076(4) Uani 0.46 1 d PDU . -1
C6_1 C 0.6936(4) 0.7477(7) 0.0759(4) 0.076(4) Uani 0.46 1 d PDU . -1
C7_1 C 0.7438(4) 0.7371(8) 0.0940(4) 0.050(2) Uani 0.46 1 d PDU . -1
C8_1 C 0.7644(4) 0.7543(7) 0.1618(5) 0.0359(17) Uani 0.46 1 d PDU . -1
C9_1 C 0.7325(4) 0.7762(9) 0.2081(5) 0.051(3) Uani 0.46 1 d PDU . -1
C10_1 C 0.6792(4) 0.7953(6) 0.1897(5) 0.041(2) Uani 0.46 1 d PDU . -1
C11_1 C 0.6386(3) 0.7767(4) 0.2278(4) 0.061(2) Uani 0.46 1 d PDU . -1
C12_1 C 0.5909(4) 0.7436(7) 0.1835(5) 0.057(3) Uani 0.46 1 d PDU . -1
C13_1 C 0.5608(4) 0.6781(7) 0.1970(4) 0.066(3) Uani 0.46 1 d PDU . -1
C14_1 C 0.5416(7) 0.6262(8) 0.1552(7) 0.071(4) Uani 0.46 1 d PDU . -1
C15_1 C 0.5480(4) 0.6356(7) 0.0842(5) 0.064(3) Uani 0.46 1 d PDU . -1
C16_1 C 0.5400(3) 0.5464(6) 0.0594(4) 0.070(2) Uani 0.46 1 d PDU . -1
C17_1 C 0.5718(3) 0.5222(5) 0.0143(4) 0.062(3) Uani 0.46 1 d PDU . -1
C18_1 C 0.6083(4) 0.5805(7) -0.0056(4) 0.066(3) Uani 0.46 1 d PDU . -1
C19_1 C 0.6542(4) 0.5405(6) -0.0182(4) 0.0600(10) Uani 0.46 1 d PDU . -1
C20_1 C 0.6945(5) 0.6139(7) -0.0009(5) 0.090(3) Uani 0.46 1 d PDU . -1
C21_1 C 0.7427(5) 0.5986(6) 0.0244(5) 0.073(3) Uani 0.46 1 d PDU . -1
C22_1 C 0.7627(5) 0.6562(6) 0.0614(5) 0.047(2) Uani 0.46 1 d PDU . -1
C23_1 C 0.8087(4) 0.6390(5) 0.1158(4) 0.071(3) Uani 0.46 1 d PDU . -1
C24_1 C 0.8078(3) 0.6971(4) 0.1697(4) 0.0404(15) Uani 0.46 1 d PDU . -1
C25_1 C 0.8252(4) 0.6720(5) 0.2371(5) 0.052(2) Uani 0.46 1 d PDU . -1
C26_1 C 0.7920(4) 0.6968(6) 0.2891(5) 0.059(3) Uani 0.46 1 d PDU . -1
C27_1 C 0.7441(3) 0.7505(6) 0.2758(5) 0.052(2) Uani 0.46 1 d PDU . -1
C28_1 C 0.6983(4) 0.7422(5) 0.3102(4) 0.060(2) Uani 0.46 1 d PDU . -1
C29_1 C 0.6470(4) 0.7424(6) 0.2873(5) 0.064(3) Uani 0.46 1 d PDU . -1
C30_1 C 0.6086(2) 0.6724(3) 0.3030(3) 0.0391(13) Uani 0.46 1 d PDU . -1
C31_1 C 0.5738(6) 0.6389(6) 0.2588(4) 0.0600(10) Uani 0.46 1 d PDU . -1
C32_1 C 0.56767(19) 0.5572(5) 0.2755(2) 0.058(2) Uani 0.46 1 d PDU . -1
C33_1 C 0.5386(2) 0.5061(8) 0.2219(4) 0.072(2) Uani 0.46 1 d PDU . -1
C34_1 C 0.5239(2) 0.5299(5) 0.1633(4) 0.073(3) Uani 0.46 1 d PDU . -1
C35_1 C 0.5253(2) 0.4849(6) 0.1040(4) 0.061(3) Uani 0.46 1 d PDU . -1
C36_1 C 0.5392(3) 0.3925(6) 0.1029(4) 0.052(2) Uani 0.46 1 d PDU . -1
C37_1 C 0.5718(3) 0.3642(7) 0.0529(4) 0.067(3) Uani 0.46 1 d PDU . -1
C38_1 C 0.5862(4) 0.4319(7) 0.0091(4) 0.071(3) Uani 0.46 1 d PDU . -1
C39_1 C 0.6361(4) 0.4087(8) -0.0083(3) 0.075(3) Uani 0.46 1 d PDU . -1
C40_1 C 0.6746(3) 0.4613(6) -0.0223(4) 0.0600(10) Uani 0.46 1 d PDU . -1
C41_1 C 0.7288(4) 0.4440(6) 0.0068(4) 0.085(3) Uani 0.46 1 d PDU . -1
C42_1 C 0.7595(3) 0.5089(8) 0.0291(3) 0.064(2) Uani 0.46 1 d PDU . -1
C43_1 C 0.7978(3) 0.4871(5) 0.0745(4) 0.057(2) Uani 0.46 1 d PDU . -1
C44_1 C 0.8242(3) 0.5563(5) 0.1182(4) 0.0581(19) Uani 0.46 1 d PDU . -1
C45_1 C 0.8522(5) 0.5388(7) 0.1830(5) 0.060(3) Uani 0.46 1 d PDU . -1
C46_1 C 0.8512(2) 0.5919(4) 0.2433(4) 0.0449(16) Uani 0.46 1 d PDU . -1
C47_1 C 0.8495(3) 0.5394(6) 0.3039(4) 0.0426(17) Uani 0.46 1 d PDU . -1
C48_1 C 0.8192(3) 0.5634(6) 0.3524(4) 0.059(2) Uani 0.46 1 d PDU . -1
C49_1 C 0.7900(3) 0.6460(5) 0.3470(4) 0.0535(17) Uani 0.46 1 d PDU . -1
C50_1 C 0.7376(5) 0.6358(11) 0.3745(8) 0.074(5) Uani 0.46 1 d PDU . -1
C51_1 C 0.6961(3) 0.6768(5) 0.3598(4) 0.059(2) Uani 0.46 1 d PDU . -1
C52_1 C 0.6435(4) 0.6406(6) 0.3482(5) 0.038(2) Uani 0.46 1 d PDU . -1
C53_1 C 0.6416(3) 0.5441(6) 0.3632(3) 0.081(3) Uani 0.46 1 d PDU . -1
C54_1 C 0.5962(2) 0.4977(11) 0.3202(3) 0.0478(14) Uani 0.93 2 d SPDU . -1
C55_1 C 0.6048(3) 0.4021(6) 0.3217(4) 0.074(2) Uani 0.46 1 d PDU . -1
C56_1 C 0.5772(5) 0.3573(7) 0.2750(4) 0.0600(10) Uani 0.46 1 d PDU . -1
C57_1 C 0.54148(17) 0.4099(4) 0.2192(3) 0.0368(12) Uani 0.46 1 d PDU . -1
C58_1 C 0.5408(5) 0.3526(7) 0.1624(5) 0.051(3) Uani 0.46 1 d PDU . -1
C59_1 C 0.5790(4) 0.2802(6) 0.1741(4) 0.043(2) Uani 0.46 1 d PDU . -1
C60_1 C 0.6074(6) 0.2425(11) 0.1286(7) 0.058(3) Uani 0.46 1 d PDU . -1
C61_1 C 0.6059(4) 0.2924(7) 0.0685(6) 0.076(4) Uani 0.46 1 d PDU . -1
C62_1 C 0.6604(5) 0.2798(10) 0.0490(7) 0.110(4) Uani 0.46 1 d PDU . -1
C63_1 C 0.6711(5) 0.3391(10) 0.0134(5) 0.093(4) Uani 0.46 1 d PDU . -1
C64_1 C 0.7266(4) 0.3614(6) 0.0234(5) 0.068(3) Uani 0.46 1 d PDU . -1
C65_1 C 0.7681(6) 0.3257(8) 0.0726(8) 0.073(4) Uani 0.46 1 d PDU . -1
C66_1 C 0.8053(4) 0.3990(6) 0.1006(6) 0.071(3) Uani 0.46 1 d PDU . -1
C67_1 C 0.8319(3) 0.3793(5) 0.1657(6) 0.089(3) Uani 0.46 1 d PDU . -1
C68_1 C 0.8540(6) 0.4385(9) 0.2085(6) 0.088(4) Uani 0.46 1 d PDU . -1
C69_1 C 0.8519(4) 0.4480(6) 0.2833(4) 0.049(2) Uani 0.46 1 d PDU . -1
C70_1 C 0.8250(3) 0.3848(5) 0.3200(4) 0.061(2) Uani 0.46 1 d PDU . -1
C71_1 C 0.7906(4) 0.4091(6) 0.3691(4) 0.069(2) Uani 0.46 1 d PDU . -1
C72_1 C 0.7882(3) 0.4961(12) 0.3856(3) 0.0580(17) Uani 0.46 1 d PDU . -1
C73_1 C 0.7366(3) 0.5367(6) 0.3996(3) 0.064(2) Uani 0.46 1 d PDU . -1
C74_1 C 0.6874(3) 0.4953(10) 0.3912(3) 0.067(2) Uani 0.46 1 d PDU . -1
C75_1 C 0.6951(5) 0.4105(4) 0.3854(3) 0.072(3) Uani 0.46 1 d PDU . -1
C76_1 C 0.6507(5) 0.3620(10) 0.3547(8) 0.066(4) Uani 0.46 1 d PDU . -1
C77_1 C 0.6736(4) 0.2813(4) 0.3213(3) 0.0449(15) Uani 0.46 1 d PDU . -1
C78_1 C 0.6502(3) 0.2420(6) 0.2643(5) 0.051(2) Uani 0.46 1 d PDU . -1
C79_1 C 0.59977(19) 0.2767(3) 0.2414(3) 0.0397(13) Uani 0.46 1 d PDU . -1
C80_1 C 0.8125(4) 0.3107(7) 0.2817(6) 0.065(3) Uani 0.46 1 d PDU . -1
C81_1 C 0.8159(4) 0.3110(6) 0.2071(7) 0.064(3) Uani 0.46 1 d PDU . -1
C82_1 C 0.7740(6) 0.2537(11) 0.1801(6) 0.072(4) Uani 0.46 1 d PDU . -1
C83_1 C 0.7542(6) 0.2609(10) 0.1194(7) 0.084(4) Uani 0.46 1 d PDU . -1
C84_1 C 0.7022(4) 0.2368(6) 0.1024(6) 0.086(4) Uani 0.46 1 d PDU . -1
C85_1 C 0.6636(4) 0.2187(7) 0.1513(7) 0.058(3) Uani 0.46 1 d PDU . -1
C86_1 C 0.6842(4) 0.2161(8) 0.2152(5) 0.058(3) Uani 0.46 1 d PDU . -1
C87_1 C 0.7388(4) 0.2219(9) 0.2270(5) 0.042(2) Uani 0.46 1 d PDU . -1
C88_1 C 0.7448(4) 0.3640(7) 0.3789(7) 0.041(2) Uani 0.46 1 d PDU . -1
C89_1 C 0.7299(3) 0.2879(4) 0.3351(4) 0.0506(15) Uani 0.46 1 d PDU . -1
C90_1 C 0.7642(4) 0.2624(7) 0.2875(5) 0.053(3) Uani 0.46 1 d PDU . -1
C1_2 C 0.6992 0.2338 0.2642 0.049 Uiso 0.04 1 d PU . -2
C2_2 C 0.6962 0.2827 0.3205 0.036 Uiso 0.04 1 d PU . -2
C3_2 C 0.7337 0.3324 0.3571 0.047 Uiso 0.04 1 d PU . -2
C4_2 C 0.7841 0.3334 0.3308 0.055 Uiso 0.04 1 d PU . -2
C5_2 C 0.7878 0.2892 0.2728 0.061 Uiso 0.04 1 d PU . -2
C6_2 C 0.7493 0.2393 0.2375 0.050 Uiso 0.04 1 d PU . -2
C7_2 C 0.7524 0.2418 0.1752 0.070 Uiso 0.04 1 d PU . -2
C8_2 C 0.7041 0.2330 0.1326 0.073 Uiso 0.04 1 d PU . -2
C9_2 C 0.6526 0.2294 0.1532 0.068 Uiso 0.04 1 d PU . -2
C10_2 C 0.6529 0.2278 0.2233 0.063 Uiso 0.04 1 d PU . -2
C11_2 C 0.6140 0.2645 0.2533 0.030 Uiso 0.04 1 d PU . -2
C12_2 C 0.6378 0.3038 0.3179 0.064 Uiso 0.04 1 d PU . -2
C13_2 C 0.6260 0.3841 0.3421 0.075 Uiso 0.04 1 d PU . -2
C14_2 C 0.6647 0.4247 0.3753 0.050 Uiso 0.04 1 d PU . -2
C15_2 C 0.7172 0.4008 0.3857 0.029 Uiso 0.04 1 d PU . -2
C16_2 C 0.7442 0.4834 0.3940 0.048 Uiso 0.04 1 d PU . -2
C17_2 C 0.7943 0.4872 0.3707 0.052 Uiso 0.04 1 d PU . -2
C18_2 C 0.8126 0.4101 0.3399 0.057 Uiso 0.04 1 d PU . -2
C19_2 C 0.8415 0.4314 0.2921 0.060 Uiso 0.04 1 d PU . -2
C20_2 C 0.8277 0.3513 0.2488 0.065 Uiso 0.04 1 d PU . -2
C21_2 C 0.8252 0.3598 0.1828 0.086 Uiso 0.04 1 d PU . -2
C22_2 C 0.7927 0.2982 0.1617 0.074 Uiso 0.04 1 d PU . -2
C23_2 C 0.7662 0.3202 0.0869 0.086 Uiso 0.04 1 d PU . -2
C24_2 C 0.7141 0.2745 0.0761 0.083 Uiso 0.04 1 d PU . -2
C25_2 C 0.6694 0.3079 0.0343 0.086 Uiso 0.04 1 d PU . -2
C26_2 C 0.6138 0.3041 0.0555 0.073 Uiso 0.04 1 d PU . -2
C27_2 C 0.6065 0.2664 0.1189 0.061 Uiso 0.04 1 d PU . -2
C28_2 C 0.5657 0.3028 0.1587 0.054 Uiso 0.04 1 d PU . -2
C29_2 C 0.5727 0.3067 0.2258 0.063 Uiso 0.04 1 d PU . -2
C30_2 C 0.5570 0.3931 0.2538 0.066 Uiso 0.04 1 d PU . -2
C31_2 C 0.5846 0.4323 0.3051 0.071 Uiso 0.04 1 d PU . -2
C32_2 C 0.5813 0.5137 0.2967 0.050 Uiso 0.04 1 d PU . -2
C33_2 C 0.6226 0.5600 0.3415 0.056 Uiso 0.04 1 d PU . -2
C34_2 C 0.6602 0.5324 0.3780 0.054 Uiso 0.04 1 d PU . -2
C35_2 C 0.7162 0.5595 0.3908 0.030 Uiso 0.04 1 d PU . -2
C36_2 C 0.7301 0.6447 0.3673 0.051 Uiso 0.04 1 d PU . -2
C37_2 C 0.7841 0.6483 0.3431 0.060 Uiso 0.04 1 d PU . -2
C38_2 C 0.8138 0.5668 0.3475 0.053 Uiso 0.04 1 d PU . -2
C39_2 C 0.8464 0.5760 0.2925 0.051 Uiso 0.04 1 d PU . -2
C40_2 C 0.8584 0.4996 0.2618 0.070 Uiso 0.07 2 d SPU . -2
C41_2 C 0.8534 0.5128 0.1897 0.065 Uiso 0.04 1 d PU . -2
C42_2 C 0.8362 0.4428 0.1537 0.069 Uiso 0.04 1 d PU . -2
C43_2 C 0.8134 0.4560 0.0973 0.066 Uiso 0.04 1 d PU . -2
C44_2 C 0.7763 0.3915 0.0609 0.082 Uiso 0.04 1 d PU . -2
C45_2 C 0.7356 0.4144 0.0081 0.078 Uiso 0.04 1 d PU . -2
C46_2 C 0.6825 0.3816 -0.0058 0.075 Uiso 0.04 1 d PU . -2
C47_2 C 0.6412 0.4412 -0.0260 0.072 Uiso 0.04 1 d PU . -2
C48_2 C 0.5904 0.4400 -0.0050 0.061 Uiso 0.04 1 d PU . -2
C49_2 C 0.5766 0.3697 0.0362 0.076 Uiso 0.04 1 d PU . -2
C50_2 C 0.5356 0.4119 0.0818 0.059 Uiso 0.04 1 d PU . -2
C51_2 C 0.5357 0.3742 0.1383 0.044 Uiso 0.04 1 d PU . -2
C52_2 C 0.5357 0.4240 0.2005 0.023 Uiso 0.04 1 d PU . -2
C53_2 C 0.5352 0.5225 0.1903 0.053 Uiso 0.04 1 d PU . -2
C54_2 C 0.5609 0.5676 0.2454 0.049 Uiso 0.04 1 d PU . -2
C55_2 C 0.5729 0.6591 0.2255 0.075 Uiso 0.04 1 d PU . -2
C56_2 C 0.6112 0.7048 0.2647 0.047 Uiso 0.04 1 d PU . -2
C57_2 C 0.6369 0.6512 0.3303 0.017 Uiso 0.04 1 d PU . -2
C58_2 C 0.6861 0.6961 0.3385 0.040 Uiso 0.04 1 d PU . -2
C59_2 C 0.6986 0.7551 0.2904 0.065 Uiso 0.04 1 d PU . -2
C60_2 C 0.7481 0.7688 0.2682 0.046 Uiso 0.04 1 d PU . -2
C61_2 C 0.7893 0.7110 0.2943 0.019 Uiso 0.04 1 d PU . -2
C62_2 C 0.8200 0.7095 0.2301 0.038 Uiso 0.04 1 d PU . -2
C63_2 C 0.8446 0.6363 0.2432 0.055 Uiso 0.04 1 d PU . -2
C64_2 C 0.8498 0.5945 0.1785 0.060 Uiso 0.04 1 d PU . -2
C65_2 C 0.8261 0.6164 0.1104 0.075 Uiso 0.04 1 d PU . -2
C66_2 C 0.8082 0.5421 0.0730 0.070 Uiso 0.04 1 d PU . -2
C67_2 C 0.7666 0.5702 0.0209 0.077 Uiso 0.04 1 d PU . -2
C68_2 C 0.7276 0.5192 -0.0140 0.085 Uiso 0.04 1 d PU . -2
C69_2 C 0.6695 0.5263 -0.0327 0.090 Uiso 0.04 1 d PU . -2
C70_2 C 0.6389 0.6030 -0.0205 0.076 Uiso 0.04 1 d PU . -2
C71_2 C 0.5898 0.6014 0.0030 0.068 Uiso 0.04 1 d PU . -2
C72_2 C 0.5642 0.5259 0.0112 0.069 Uiso 0.04 1 d PU . -2
C73_2 C 0.5334 0.5081 0.0675 0.062 Uiso 0.04 1 d PU . -2
C74_2 C 0.5317 0.5605 0.1212 0.058 Uiso 0.04 1 d PU . -2
C75_2 C 0.5490 0.6361 0.1010 0.059 Uiso 0.04 1 d PU . -2
C76_2 C 0.5647 0.6909 0.1593 0.068 Uiso 0.04 1 d PU . -2
C77_2 C 0.6085 0.7555 0.1394 0.054 Uiso 0.04 1 d PU . -2
C78_2 C 0.6568 0.7902 0.1776 0.040 Uiso 0.04 1 d PU . -2
C79_2 C 0.6510 0.7670 0.2436 0.059 Uiso 0.04 1 d PU . -2
C80_2 C 0.6782 0.6720 0.0014 0.081 Uiso 0.04 1 d PU . -2
C81_2 C 0.7385 0.6531 0.0189 0.069 Uiso 0.04 1 d PU . -2
C82_2 C 0.7521 0.7213 0.0693 0.064 Uiso 0.04 1 d PU . -2
C83_2 C 0.7957 0.7036 0.1069 0.061 Uiso 0.04 1 d PU . -2
C84_2 C 0.7945 0.7422 0.1664 0.060 Uiso 0.04 1 d PU . -2
C85_2 C 0.7490 0.7827 0.1955 0.037 Uiso 0.04 1 d PU . -2
C86_2 C 0.7056 0.7943 0.1540 0.051 Uiso 0.04 1 d PU . -2
C87_2 C 0.7046 0.7669 0.0863 0.058 Uiso 0.04 1 d PU . -2
C88_2 C 0.5797 0.6696 0.0498 0.062 Uiso 0.04 1 d PU . -2
C89_2 C 0.6136 0.7349 0.0728 0.053 Uiso 0.04 1 d PU . -2
C90_2 C 0.6623 0.7365 0.0463 0.087 Uiso 0.04 1 d PU . -2
Ni1 Ni 0.518848(12) 0.5000 0.419791(15) 0.01457(10) Uani 1 2 d S . .
N1 N 0.46253(8) 0.5000 0.34897(11) 0.0169(4) Uani 1 2 d SU . .
N2 N 0.51981(6) 0.37248(11) 0.41858(7) 0.0170(3) Uani 1 1 d U . .
N3 N 0.57658(8) 0.5000 0.48888(10) 0.0167(4) Uani 1 2 d SU . .
C91 C 0.39980(7) 0.45579(13) 0.26620(9) 0.0198(3) Uani 1 1 d U . .
C92 C 0.43847(7) 0.42925(12) 0.31785(9) 0.0180(3) Uani 1 1 d U . .
C93 C 0.44980(7) 0.34359(12) 0.33238(9) 0.0191(3) Uani 1 1 d U . .
H93 H 0.4298 0.3001 0.3088 0.023 Uiso 1 1 calc R . .
C94 C 0.48847(7) 0.31727(12) 0.37924(9) 0.0180(3) Uani 1 1 d U . .
C95 C 0.50144(7) 0.22707(12) 0.39259(9) 0.0201(3) Uani 1 1 d U . .
C96 C 0.54137(7) 0.22724(12) 0.44122(9) 0.0200(3) Uani 1 1 d U . .
C97 C 0.55219(7) 0.31742(12) 0.45684(9) 0.0179(3) Uani 1 1 d U . .
C98 C 0.59063(7) 0.34397(13) 0.50360(9) 0.0186(3) Uani 1 1 d U . .
H98 H 0.6103 0.3005 0.5277 0.022 Uiso 1 1 calc R . .
C99 C 0.60242(7) 0.42926(12) 0.51768(9) 0.0176(3) Uani 1 1 d U . .
C100 C 0.64534(7) 0.45591(13) 0.56459(9) 0.0193(3) Uani 1 1 d U . .
C101 C 0.36869(8) 0.39524(14) 0.22079(10) 0.0232(4) Uani 1 1 d U . .
H10A H 0.3380 0.4269 0.1994 0.028 Uiso 1 1 calc R . .
H10B H 0.3548 0.3470 0.2459 0.028 Uiso 1 1 calc R . .
C102 C 0.40191(9) 0.35751(16) 0.16891(10) 0.0291(4) Uani 1 1 d U . .
H10C H 0.3792 0.3221 0.1387 0.044 Uiso 1 1 calc R . .
H10D H 0.4304 0.3214 0.1896 0.044 Uiso 1 1 calc R . .
H10E H 0.4174 0.4050 0.1453 0.044 Uiso 1 1 calc R . .
C103 C 0.47545(8) 0.15125(13) 0.35737(10) 0.0250(4) Uani 1 1 d U . .
H10F H 0.4367 0.1618 0.3510 0.030 Uiso 1 1 calc R . .
H10G H 0.4811 0.0986 0.3844 0.030 Uiso 1 1 calc R . .
C104 C 0.49660(11) 0.13461(17) 0.29161(12) 0.0385(5) Uani 1 1 d U . .
H10H H 0.4774 0.0858 0.2703 0.058 Uiso 1 1 calc R . .
H10I H 0.5345 0.1207 0.2977 0.058 Uiso 1 1 calc R . .
H10J H 0.4915 0.1867 0.2647 0.058 Uiso 1 1 calc R . .
C105 C 0.57031(8) 0.15169(13) 0.47348(10) 0.0249(4) Uani 1 1 d U . .
H10K H 0.5491 0.0983 0.4647 0.030 Uiso 1 1 calc R . .
H10L H 0.5736 0.1612 0.5208 0.030 Uiso 1 1 calc R . .
C106 C 0.62597(10) 0.13802(16) 0.45066(13) 0.0351(5) Uani 1 1 d U . .
H10M H 0.6422 0.0863 0.4716 0.053 Uiso 1 1 calc R . .
H10N H 0.6481 0.1889 0.4622 0.053 Uiso 1 1 calc R . .
H10P H 0.6231 0.1302 0.4037 0.053 Uiso 1 1 calc R . .
C107 C 0.68390(7) 0.39512(14) 0.60000(9) 0.0234(4) Uani 1 1 d U . .
H10Q H 0.6646 0.3434 0.6140 0.028 Uiso 1 1 calc R . .
H10R H 0.7004 0.4244 0.6391 0.028 Uiso 1 1 calc R . .
C108 C 0.72745(8) 0.36607(17) 0.55763(11) 0.0315(5) Uani 1 1 d U . .
H11A H 0.7531 0.3294 0.5831 0.047 Uiso 1 1 calc R . .
H11B H 0.7456 0.4173 0.5421 0.047 Uiso 1 1 calc R . .
H11C H 0.7115 0.3330 0.5206 0.047 Uiso 1 1 calc R . .
Cl1 Cl 0.95637(9) 0.33443(15) 0.08537(13) 0.0764(6) Uani 0.50 1 d P A -1
C109 C 0.9565(2) 0.4477(5) 0.0764(3) 0.0516(15) Uani 0.50 1 d PU A -1
C110 C 0.9826(2) 0.494(4) 0.1223(3) 0.062(4) Uani 0.50 1 d PU A -1
H11D H 1.0005 0.4677 0.1592 0.074 Uiso 0.50 1 calc PR A -1
C111 C 0.9825(3) 0.5941(7) 0.1131(3) 0.073(3) Uani 0.50 1 d PU A -1
H11F H 1.0004 0.6320 0.1438 0.088 Uiso 0.50 1 calc PR A -1
C112 C 0.9556(4) 0.6239(6) 0.0588(4) 0.066(2) Uani 0.50 1 d PU A -1
H11G H 0.9558 0.6848 0.0515 0.079 Uiso 0.50 1 calc PR A -1
C113 C 0.9286(3) 0.5743(6) 0.0141(3) 0.0527(16) Uani 0.50 1 d PU A -1
H11H H 0.9095 0.6000 -0.0223 0.063 Uiso 0.50 1 calc PR A -1
C114 C 0.9290(2) 0.4828(5) 0.0222(3) 0.047(3) Uani 0.50 1 d PU A -1
H11I H 0.9107 0.4463 -0.0091 0.056 Uiso 0.50 1 calc PR A -1
Cl2 Cl 0.68265(6) -0.0004(7) 0.33127(6) 0.0359(4) Uani 0.32 1 d PGU B -1
C115 C 0.67913(7) -0.0038(11) 0.24885(6) 0.0254(13) Uani 0.32 1 d PGU B -1
C116 C 0.63023(8) -0.005(2) 0.21313(8) 0.026(2) Uani 0.32 1 d PGU B -1
H11E H 0.5982 -0.0040 0.2347 0.031 Uiso 0.32 1 d PG B -1
C117 C 0.62761(12) -0.007(3) 0.14608(9) 0.030(4) Uani 0.32 1 d PGU B -1
H11J H 0.5937 -0.0073 0.1214 0.036 Uiso 0.32 1 d PG B -1
C118 C 0.67386(15) 0.000(3) 0.11470(6) 0.0329(11) Uani 0.32 1 d PGU B -1
H11K H 0.6720 0.0021 0.0684 0.040 Uiso 0.32 1 d PG B -1
C119 C 0.72300(12) -0.007(3) 0.15064(9) 0.025(4) Uani 0.32 1 d PGU B -1
H11L H 0.7550 -0.0074 0.1291 0.030 Uiso 0.32 1 d PG B -1
C120 C 0.72550(8) -0.005(2) 0.21762(9) 0.025(2) Uani 0.32 1 d PGU B -1
H12A H 0.7593 -0.0041 0.2423 0.030 Uiso 0.32 1 d PG B -1
Cl3 Cl 0.72840(14) 0.0032(12) 0.12766(16) 0.0458(14) Uani 0.18 1 d PGU C -2
C121 C 0.69141(12) 0.0013(11) 0.19218(14) 0.0282(16) Uiso 0.18 1 d PGU C -2
C122 C 0.71596(16) -0.003(2) 0.25431(15) 0.032(2) Uiso 0.18 1 d PGU C -2
H12B H 0.7538 -0.0048 0.2609 0.038 Uiso 0.18 1 d PG C -2
C123 C 0.6858(2) 0.006(2) 0.30720(15) 0.039(4) Uiso 0.18 1 d PGU C -2
H12C H 0.7029 0.0064 0.3503 0.047 Uiso 0.18 1 d PG C -2
C124 C 0.6305(2) -0.002(2) 0.2972(2) 0.0312(18) Uiso 0.18 1 d PGU C -2
H12D H 0.6092 -0.0028 0.3334 0.037 Uiso 0.18 1 d PG C -2
C125 C 0.60622(15) 0.002(3) 0.2352(2) 0.033(2) Uiso 0.18 1 d PGU C -2
H12E H 0.5684 0.0168 0.2290 0.040 Uiso 0.18 1 d PG C -2
C126 C 0.63660(12) 0.004(2) 0.18268(19) 0.028(2) Uiso 0.18 1 d PGU C -2
H12F H 0.6196 0.0069 0.1397 0.034 Uiso 0.18 1 d PG C -2
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'
Ni Ni 0.3279 1.2288 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.2440 3.4602 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1682 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C37_1 Sm1 C49_2 9.1(3) 6_565 6_565
C37_1 Sm1 C75_2 28.7(2) 6_565 .
C49_2 Sm1 C75_2 37.536(16) 6_565 .
C37_1 Sm1 C38_1 35.1(3) 6_565 6_565
C49_2 Sm1 C38_1 27.2(3) 6_565 6_565
C75_2 Sm1 C38_1 59.1(3) . 6_565
C37_1 Sm1 C26_2 33.7(2) 6_565 6_565
C49_2 Sm1 C26_2 33.521(18) 6_565 6_565
C75_2 Sm1 C26_2 51.68(2) . 6_565
C38_1 Sm1 C26_2 54.5(2) 6_565 6_565
C37_1 Sm1 C36_1 34.4(2) 6_565 6_565
C49_2 Sm1 C36_1 42.18(17) 6_565 6_565
C75_2 Sm1 C36_1 11.62(19) . 6_565
C38_1 Sm1 C36_1 58.6(3) 6_565 6_565
C26_2 Sm1 C36_1 62.05(17) 6_565 6_565
C3_2 Sm2 C36_2 10.325(4) 6_565 .
C3_2 Sm2 C4_2 35.095(14) 6_565 6_565
C36_2 Sm2 C4_2 40.715(17) . 6_565
C3_2 Sm2 C37_2 33.323(14) 6_565 .
C36_2 Sm2 C37_2 36.583(15) . .
C4_2 Sm2 C37_2 9.129(4) 6_565 .
C3_2 Sm2 C50_1 14.3(4) 6_565 .
C36_2 Sm2 C50_1 6.0(3) . .
C4_2 Sm2 C50_1 38.9(3) 6_565 .
C37_2 Sm2 C50_1 33.6(3) . .
C3_2 Sm2 C26_1 53.2(2) 6_565 .
C36_2 Sm2 C26_1 61.4(2) . .
C4_2 Sm2 C26_1 24.0(2) 6_565 .
C37_2 Sm2 C26_1 32.6(2) . .
C50_1 Sm2 C26_1 61.0(4) . .
C3_2 Sm2 C89_1 19.34(18) 6_565 6_565
C36_2 Sm2 C89_1 29.28(18) . 6_565
C4_2 Sm2 C89_1 36.99(18) 6_565 6_565
C37_2 Sm2 C89_1 40.23(19) . 6_565
C50_1 Sm2 C89_1 33.7(4) . 6_565
C26_1 Sm2 C89_1 45.4(3) . 6_565
C3_2 Sm2 C2_2 33.035(15) 6_565 6_565
C36_2 Sm2 C2_2 39.805(17) . 6_565
C4_2 Sm2 C2_2 57.24(2) 6_565 6_565
C37_2 Sm2 C2_2 60.37(2) . 6_565
C50_1 Sm2 C2_2 45.6(3) . 6_565
C26_1 Sm2 C2_2 62.1(2) . 6_565
C89_1 Sm2 C2_2 20.31(18) 6_565 6_565
C3_2 Sm2 C49_1 35.42(18) 6_565 .
C36_2 Sm2 C49_1 38.18(19) . .
C4_2 Sm2 C49_1 10.65(18) 6_565 .
C37_2 Sm2 C49_1 2.54(17) . .
C50_1 Sm2 C49_1 34.8(3) . .
C26_1 Sm2 C49_1 33.4(3) . .
C89_1 Sm2 C49_1 42.8(3) 6_565 .
C2_2 Sm2 C49_1 62.88(17) 6_565 .
C1_2 Sm3 C2_2 35.56(2) 6_565 6_565
C1_2 Sm3 C59_2 14.199(10) 6_565 .
C2_2 Sm3 C59_2 21.365(15) 6_565 .
C1_2 Sm3 C78_1 30.7(2) 6_565 6_565
C2_2 Sm3 C78_1 42.1(2) 6_565 6_565
C59_2 Sm3 C78_1 31.7(2) . 6_565
C1_2 Sm3 C77_1 39.30(19) 6_565 6_565
C2_2 Sm3 C77_1 13.8(2) 6_565 6_565
C59_2 Sm3 C77_1 26.6(2) . 6_565
C78_1 Sm3 C77_1 34.1(2) 6_565 6_565
C1_2 Sm3 C28_1 25.1(2) 6_565 .
C2_2 Sm3 C28_1 10.5(2) 6_565 .
C59_2 Sm3 C28_1 10.9(2) . .
C78_1 Sm3 C28_1 36.2(3) 6_565 .
C77_1 Sm3 C28_1 18.4(2) 6_565 .
C1_2 Sm3 C79_2 30.82(2) 6_565 .
C2_2 Sm3 C79_2 50.81(3) 6_565 .
C59_2 Sm3 C79_2 36.49(2) . .
C78_1 Sm3 C79_2 10.8(2) 6_565 .
C77_1 Sm3 C79_2 44.33(17) 6_565 .
C28_1 Sm3 C79_2 43.4(2) . .
C1_2 Sm3 C29_1 36.5(2) 6_565 .
C2_2 Sm3 C29_1 34.7(3) 6_565 .
C59_2 Sm3 C29_1 31.8(2) . .
C78_1 Sm3 C29_1 12.9(2) 6_565 .
C77_1 Sm3 C29_1 23.8(3) 6_565 .
C28_1 Sm3 C29_1 32.0(3) . .
C79_2 Sm3 C29_1 23.6(2) . .
C17_2 Sm4 C17_2 9.936(9) 6_565 .
C17_2 Sm4 C38_2 26.70(2) 6_565 .
C17_2 Sm4 C38_2 34.90(3) . .
C17_2 Sm4 C38_2 34.90(3) 6_565 6_565
C17_2 Sm4 C38_2 26.70(2) . 6_565
C38_2 Sm4 C38_2 50.03(4) . 6_565
C17_2 Sm4 C72_1 9.5(3) 6_565 .
C17_2 Sm4 C72_1 7.9(2) . .
C38_2 Sm4 C72_1 36.1(3) . .
C38_2 Sm4 C72_1 34.1(3) 6_565 .
C17_2 Sm4 C72_1 7.9(2) 6_565 6_565
C17_2 Sm4 C72_1 9.5(3) . 6_565
C38_2 Sm4 C72_1 34.1(3) . 6_565
C38_2 Sm4 C72_1 36.1(3) 6_565 6_565
C72_1 Sm4 C72_1 2.8(8) . 6_565
C17_2 Sm4 C18_2 34.71(3) 6_565 6_565
C17_2 Sm4 C18_2 43.43(3) . 6_565
C38_2 Sm4 C18_2 8.894(6) . 6_565
C38_2 Sm4 C18_2 58.64(5) 6_565 6_565
C72_1 Sm4 C18_2 43.9(4) . 6_565
C72_1 Sm4 C18_2 41.6(4) 6_565 6_565
C17_2 Sm4 C18_2 43.43(3) 6_565 .
C17_2 Sm4 C18_2 34.71(3) . .
C38_2 Sm4 C18_2 58.64(5) . .
C38_2 Sm4 C18_2 8.894(6) 6_565 .
C72_1 Sm4 C18_2 41.6(4) . .
C72_1 Sm4 C18_2 43.9(4) 6_565 .
C18_2 Sm4 C18_2 67.14(5) 6_565 .
C27_2 Sm5 C2_1 3.0(3) 6_565 .
C27_2 Sm5 C26_2 36.61(3) 6_565 6_565
C2_1 Sm5 C26_2 35.9(3) . 6_565
C27_2 Sm5 C9_2 35.61(4) 6_565 6_565
C2_1 Sm5 C9_2 33.6(3) . 6_565
C26_2 Sm5 C9_2 62.03(5) 6_565 6_565
C27_2 Sm5 C61_1 27.6(3) 6_565 6_565
C2_1 Sm5 C61_1 27.2(4) . 6_565
C26_2 Sm5 C61_1 9.4(3) 6_565 6_565
C9_2 Sm5 C61_1 56.1(3) 6_565 6_565
C27_2 Sm5 C77_2 11.902(14) 6_565 .
C2_1 Sm5 C77_2 12.0(3) . .
C26_2 Sm5 C77_2 47.94(4) 6_565 .
C9_2 Sm5 C77_2 27.12(3) 6_565 .
C61_1 Sm5 C77_2 39.2(3) 6_565 .
C74_2 Sm6 C35_1 19.5(2) . 6_565
C74_2 Sm6 C36_1 20.45(19) . 6_565
C35_1 Sm6 C36_1 35.5(3) 6_565 6_565
C74_2 Sm6 C16_1 32.8(2) . .
C35_1 Sm6 C16_1 27.3(3) 6_565 .
C36_1 Sm6 C16_1 31.2(3) 6_565 .
C56_2 Sm7 C10_2 45.9(2) . 6_565
C56_2 Sm7 C79_1 15.26(17) . 6_565
C10_2 Sm7 C79_1 40.8(2) 6_565 6_565
C56_2 Sm7 C11_2 13.12(6) . 6_565
C10_2 Sm7 C11_2 33.45(15) 6_565 6_565
C79_1 Sm7 C11_2 11.33(16) 6_565 6_565
C56_2 Sm7 C55_2 35.91(17) . .
C10_2 Sm7 C55_2 70.2(3) 6_565 .
C79_1 Sm7 C55_2 30.6(2) 6_565 .
C11_2 Sm7 C55_2 41.20(18) 6_565 .
C56_2 Sm7 C79_2 37.99(18) . .
C10_2 Sm7 C79_2 10.73(5) 6_565 .
C79_1 Sm7 C79_2 36.5(2) 6_565 .
C11_2 Sm7 C79_2 26.95(12) 6_565 .
C55_2 Sm7 C79_2 67.0(3) . .
C27_2 Sm8 C76_2 38.25(18) 6_565 .
C27_2 Sm8 C28_2 36.28(17) 6_565 6_565
C76_2 Sm8 C28_2 2.284(12) . 6_565
C27_2 Sm8 C55_2 68.8(3) 6_565 .
C76_2 Sm8 C55_2 35.59(18) . .
C28_2 Sm8 C55_2 36.45(18) 6_565 .
C27_2 Sm8 C59_1 34.1(3) 6_565 6_565
C76_2 Sm8 C59_1 15.2(2) . 6_565
C28_2 Sm8 C59_1 13.4(2) 6_565 6_565
C55_2 Sm8 C59_1 34.7(3) . 6_565
C27_2 Sm8 C2_1 2.2(3) 6_565 .
C76_2 Sm8 C2_1 40.3(4) . .
C28_2 Sm8 C2_1 38.3(4) 6_565 .
C55_2 Sm8 C2_1 70.3(4) . .
C59_1 Sm8 C2_1 35.7(4) 6_565 .
C2_1 C1_1 C10_1 112.4(8) . .
C2_1 C1_1 C6_1 110.6(10) . .
C10_1 C1_1 C6_1 121.1(8) . .
C2_1 C1_1 Sm5 64.3(8) . .
C10_1 C1_1 Sm5 89.3(5) . .
C6_1 C1_1 Sm5 75.0(6) . .
C2_1 C1_1 Sm8 56.9(8) . .
C10_1 C1_1 Sm8 83.9(6) . .
C6_1 C1_1 Sm8 87.5(6) . .
Sm5 C1_1 Sm8 12.5(2) . .
C2_1 C1_1 Sm7 70.0(7) . .
C10_1 C1_1 Sm7 64.1(5) . .
C6_1 C1_1 Sm7 96.3(6) . .
C3_1 C2_1 C1_1 132.3(12) . .
C3_1 C2_1 C12_1 121.9(11) . .
C1_1 C2_1 C12_1 103.7(9) . .
C3_1 C2_1 Sm5 84.5(8) . .
C1_1 C2_1 Sm5 82.4(8) . .
C12_1 C2_1 Sm5 90.0(8) . .
C3_1 C2_1 Sm8 85.1(8) . .
C1_1 C2_1 Sm8 94.1(9) . .
C12_1 C2_1 Sm8 75.9(8) . .
C3_1 C2_1 Sm7 105.8(9) . .
C1_1 C2_1 Sm7 81.7(8) . .
C12_1 C2_1 Sm7 63.2(7) . .
C3_1 C2_1 Sm1 62.9(7) . .
C1_1 C2_1 Sm1 102.7(9) . .
C12_1 C2_1 Sm1 95.4(8) . .
C15_1 C3_1 C2_1 119.0(9) . .
C15_1 C3_1 C4_1 117.5(9) . .
C2_1 C3_1 C4_1 112.8(10) . .
C15_1 C3_1 Sm1 73.3(5) . .
C2_1 C3_1 Sm1 89.1(8) . .
C4_1 C3_1 Sm1 74.9(4) . .
C15_1 C3_1 Sm5 92.8(6) . .
C2_1 C3_1 Sm5 64.2(8) . .
C4_1 C3_1 Sm5 79.8(4) . .
Sm1 C3_1 Sm5 26.02(10) . .
C15_1 C3_1 Sm8 80.0(6) . .
C2_1 C3_1 Sm8 65.2(8) . .
C4_1 C3_1 Sm8 92.6(5) . .
C15_1 C3_1 Sm6 60.1(5) . .
C2_1 C3_1 Sm6 94.0(8) . .
C4_1 C3_1 Sm6 84.5(4) . .
C5_1 C4_1 C18_1 117.2(7) . .
C5_1 C4_1 C3_1 117.9(8) . .
C18_1 C4_1 C3_1 113.9(9) . .
C5_1 C4_1 Sm1 90.2(5) . .
C18_1 C4_1 Sm1 73.7(5) . .
C3_1 C4_1 Sm1 72.5(4) . .
C5_1 C4_1 Sm5 71.8(5) . .
C18_1 C4_1 Sm5 97.3(5) . .
C3_1 C4_1 Sm5 68.9(4) . .
C6_1 C5_1 C4_1 125.2(9) . .
C6_1 C5_1 C20_1 132.2(12) . .
C4_1 C5_1 C20_1 94.9(8) . .
C6_1 C5_1 Sm5 73.3(6) . .
C4_1 C5_1 Sm5 77.6(5) . .
C20_1 C5_1 Sm5 94.4(6) . .
C6_1 C5_1 Sm1 96.2(6) . .
C4_1 C5_1 Sm1 61.1(4) . .
C20_1 C5_1 Sm1 80.4(5) . .
C7_1 C6_1 C5_1 115.9(11) . .
C7_1 C6_1 C1_1 118.0(8) . .
C5_1 C6_1 C1_1 119.9(10) . .
C7_1 C6_1 Sm5 96.3(8) . .
C5_1 C6_1 Sm5 77.2(6) . .
C1_1 C6_1 Sm5 72.6(5) . .
C6_1 C7_1 C8_1 120.4(9) . .
C6_1 C7_1 C22_1 108.1(10) . .
C8_1 C7_1 C22_1 118.2(9) . .
C6_1 C7_1 Sm5 58.7(7) . .
C8_1 C7_1 Sm5 90.0(7) . .
C22_1 C7_1 Sm5 84.4(8) . .
C9_1 C8_1 C24_1 125.5(9) . .
C9_1 C8_1 C7_1 122.5(9) . .
C24_1 C8_1 C7_1 101.9(7) . .
C8_1 C9_1 C10_1 118.6(9) . .
C8_1 C9_1 C27_1 122.2(10) . .
C10_1 C9_1 C27_1 115.3(9) . .
C8_1 C9_1 Sm3 101.0(8) . .
C10_1 C9_1 Sm3 81.3(7) . .
C27_1 C9_1 Sm3 68.0(6) . .
C8_1 C9_1 Sm7 101.7(8) . .
C10_1 C9_1 Sm7 65.5(7) . .
C27_1 C9_1 Sm7 82.5(6) . .
C11_1 C10_1 C9_1 123.1(9) . .
C11_1 C10_1 C1_1 108.2(8) . .
C9_1 C10_1 C1_1 118.5(8) . .
C11_1 C10_1 Sm7 64.7(5) . .
C9_1 C10_1 Sm7 86.4(7) . .
C1_1 C10_1 Sm7 87.1(6) . .
C11_1 C10_1 Sm3 71.7(5) . .
C9_1 C10_1 Sm3 68.8(7) . .
C1_1 C10_1 Sm3 101.8(6) . .
C11_1 C10_1 Sm5 83.4(5) . .
C9_1 C10_1 Sm5 91.6(7) . .
C1_1 C10_1 Sm5 61.4(5) . .
C29_1 C11_1 C10_1 122.8(9) . .
C29_1 C11_1 C12_1 118.2(9) . .
C10_1 C11_1 C12_1 108.1(8) . .
C29_1 C11_1 Sm7 76.5(6) . .
C10_1 C11_1 Sm7 84.8(5) . .
C12_1 C11_1 Sm7 75.6(5) . .
C29_1 C11_1 Sm3 65.5(5) . .
C10_1 C11_1 Sm3 79.1(5) . .
C12_1 C11_1 Sm3 95.4(5) . .
C29_1 C11_1 Sm8 92.6(6) . .
C10_1 C11_1 Sm8 83.4(6) . .
C12_1 C11_1 Sm8 59.1(5) . .
C13_1 C12_1 C2_1 114.2(9) . .
C13_1 C12_1 C11_1 124.6(10) . .
C2_1 C12_1 C11_1 106.5(9) . .
C13_1 C12_1 Sm7 78.9(7) . .
C2_1 C12_1 Sm7 85.1(8) . .
C11_1 C12_1 Sm7 68.6(5) . .
C13_1 C12_1 Sm8 71.8(6) . .
C2_1 C12_1 Sm8 69.6(8) . .
C11_1 C12_1 Sm8 90.0(6) . .
C13_1 C12_1 Sm5 85.0(6) . .
C2_1 C12_1 Sm5 57.6(7) . .
C11_1 C12_1 Sm5 86.8(5) . .
C14_1 C13_1 C12_1 122.9(10) . .
C14_1 C13_1 C31_1 113.6(11) . .
C12_1 C13_1 C31_1 115.1(10) . .
C14_1 C13_1 Sm8 77.7(9) . .
C12_1 C13_1 Sm8 78.3(7) . .
C31_1 C13_1 Sm8 85.3(7) . .
C14_1 C13_1 Sm7 99.4(9) . .
C12_1 C13_1 Sm7 72.0(7) . .
C31_1 C13_1 Sm7 69.8(7) . .
C14_1 C13_1 Sm5 79.4(8) . .
C12_1 C13_1 Sm5 69.1(6) . .
C31_1 C13_1 Sm5 94.3(6) . .
C13_1 C14_1 C15_1 123.6(11) . .
C13_1 C14_1 C34_1 129.2(12) . .
C15_1 C14_1 C34_1 104.6(10) . .
C13_1 C14_1 Sm8 73.7(8) . .
C15_1 C14_1 Sm8 84.0(8) . .
C34_1 C14_1 Sm8 98.4(8) . .
C13_1 C14_1 Sm6 105.3(10) . .
C15_1 C14_1 Sm6 75.1(7) . .
C34_1 C14_1 Sm6 70.1(6) . .
C13_1 C14_1 Sm1 98.6(9) . .
C15_1 C14_1 Sm1 65.7(6) . .
C34_1 C14_1 Sm1 86.2(6) . .
C13_1 C14_1 Sm5 76.7(8) . .
C15_1 C14_1 Sm5 74.0(7) . .
C34_1 C14_1 Sm5 104.8(7) . .
C3_1 C15_1 C16_1 127.6(10) . .
C3_1 C15_1 C14_1 115.8(9) . .
C16_1 C15_1 C14_1 103.3(10) . .
C3_1 C15_1 Sm1 77.1(6) . .
C16_1 C15_1 Sm1 75.7(4) . .
C14_1 C15_1 Sm1 81.5(7) . .
C3_1 C15_1 Sm6 94.4(6) . .
C16_1 C15_1 Sm6 65.9(4) . .
C14_1 C15_1 Sm6 71.3(7) . .
C3_1 C15_1 Sm8 72.8(6) . .
C16_1 C15_1 Sm8 96.9(5) . .
C14_1 C15_1 Sm8 63.9(8) . .
C3_1 C15_1 Sm5 61.2(5) . .
C16_1 C15_1 Sm5 98.4(5) . .
C14_1 C15_1 Sm5 76.9(7) . .
C17_1 C16_1 C35_1 119.0(8) . .
C17_1 C16_1 C15_1 115.5(9) . .
C35_1 C16_1 C15_1 115.8(9) . .
C17_1 C16_1 Sm6 84.1(4) . .
C35_1 C16_1 Sm6 74.1(4) . .
C15_1 C16_1 Sm6 80.6(4) . .
C17_1 C16_1 Sm1 76.0(4) . .
C35_1 C16_1 Sm1 91.8(4) . .
C15_1 C16_1 Sm1 70.9(4) . .
C17_1 C16_1 Sm6 80.2(5) . 6_565
C35_1 C16_1 Sm6 64.2(4) . 6_565
C15_1 C16_1 Sm6 95.7(5) . 6_565
C17_1 C16_1 Sm1 68.2(4) . 6_565
C35_1 C16_1 Sm1 67.8(4) . 6_565
C15_1 C16_1 Sm1 106.1(4) . 6_565
C16_1 C17_1 C18_1 119.2(8) . .
C16_1 C17_1 C38_1 119.5(8) . .
C18_1 C17_1 C38_1 115.0(9) . .
C16_1 C17_1 Sm1 74.3(4) . .
C18_1 C17_1 Sm1 74.1(5) . .
C38_1 C17_1 Sm1 97.5(5) . .
C16_1 C17_1 Sm6 65.8(4) . .
C18_1 C17_1 Sm6 91.3(5) . .
C38_1 C17_1 Sm6 88.8(5) . .
C16_1 C17_1 Sm6 71.1(4) . 6_565
C18_1 C17_1 Sm6 100.9(5) . 6_565
C38_1 C17_1 Sm6 74.5(5) . 6_565
C16_1 C17_1 Sm1 85.9(5) . 6_565
C18_1 C17_1 Sm1 99.5(5) . 6_565
C38_1 C17_1 Sm1 60.3(5) . 6_565
C19_1 C18_1 C17_1 111.7(9) . .
C19_1 C18_1 C4_1 110.8(9) . .
C17_1 C18_1 C4_1 126.2(9) . .
C19_1 C18_1 Sm1 88.8(6) . .
C17_1 C18_1 Sm1 75.3(5) . .
C4_1 C18_1 Sm1 74.2(4) . .
C19_1 C18_1 Sm6 92.8(6) . .
C17_1 C18_1 Sm6 61.5(5) . .
C4_1 C18_1 Sm6 85.1(5) . .
C40_1 C19_1 C18_1 140.4(8) . .
C40_1 C19_1 C20_1 115.7(9) . .
C18_1 C19_1 C20_1 100.5(8) . .
C40_1 C19_1 Sm1 104.5(7) . .
C18_1 C19_1 Sm1 63.4(5) . .
C20_1 C19_1 Sm1 82.2(5) . .
C21_1 C20_1 C5_1 109.9(11) . .
C21_1 C20_1 C19_1 122.5(10) . .
C5_1 C20_1 C19_1 116.2(10) . .
C22_1 C21_1 C20_1 115.8(11) . .
C22_1 C21_1 C42_1 122.2(11) . .
C20_1 C21_1 C42_1 117.3(10) . .
C21_1 C22_1 C7_1 136.9(12) . .
C21_1 C22_1 C23_1 124.0(9) . .
C7_1 C22_1 C23_1 93.4(8) . .
C44_1 C23_1 C24_1 126.2(9) . .
C44_1 C23_1 C22_1 112.6(8) . .
C24_1 C23_1 C22_1 113.3(8) . .
C8_1 C24_1 C23_1 111.3(8) . .
C8_1 C24_1 C25_1 116.1(7) . .
C23_1 C24_1 C25_1 123.5(8) . .
C46_1 C25_1 C26_1 116.9(8) . .
C46_1 C25_1 C24_1 114.6(9) . .
C26_1 C25_1 C24_1 118.9(8) . .
C46_1 C25_1 Sm2 89.3(5) . .
C26_1 C25_1 Sm2 55.9(4) . .
C24_1 C25_1 Sm2 95.3(6) . .
C49_1 C26_1 C25_1 122.4(8) . .
C49_1 C26_1 C27_1 111.9(9) . .
C25_1 C26_1 C27_1 121.2(8) . .
C49_1 C26_1 Sm2 74.5(4) . .
C25_1 C26_1 Sm2 94.7(5) . .
C27_1 C26_1 Sm2 78.7(5) . .
C49_1 C26_1 Sm3 92.2(5) . .
C25_1 C26_1 Sm3 98.0(5) . .
C27_1 C26_1 Sm3 57.4(4) . .
C28_1 C27_1 C9_1 113.8(9) . .
C28_1 C27_1 C26_1 123.3(10) . .
C9_1 C27_1 C26_1 115.1(9) . .
C28_1 C27_1 Sm3 70.9(4) . .
C9_1 C27_1 Sm3 78.7(6) . .
C26_1 C27_1 Sm3 92.4(5) . .
C28_1 C27_1 Sm2 78.6(5) . .
C9_1 C27_1 Sm2 97.9(6) . .
C26_1 C27_1 Sm2 68.0(5) . .
C29_1 C28_1 C27_1 128.7(10) . .
C29_1 C28_1 C51_1 99.2(8) . .
C27_1 C28_1 C51_1 120.4(9) . .
C29_1 C28_1 Sm3 75.5(5) . .
C27_1 C28_1 Sm3 75.4(4) . .
C51_1 C28_1 Sm3 87.2(4) . .
C29_1 C28_1 Sm2 96.8(5) . .
C27_1 C28_1 Sm2 70.8(5) . .
C51_1 C28_1 Sm2 70.2(4) . .
C29_1 C28_1 Sm7 59.4(5) . .
C27_1 C28_1 Sm7 85.2(5) . .
C51_1 C28_1 Sm7 93.5(4) . .
C28_1 C29_1 C11_1 113.6(9) . .
C28_1 C29_1 C30_1 122.8(9) . .
C11_1 C29_1 C30_1 115.3(8) . .
C28_1 C29_1 C52_1 82.5(8) . .
C11_1 C29_1 C52_1 150.3(8) . .
C30_1 C29_1 C52_1 41.0(4) . .
C28_1 C29_1 Sm3 72.5(5) . .
C11_1 C29_1 Sm3 84.5(6) . .
C30_1 C29_1 Sm3 84.4(5) . .
C52_1 C29_1 Sm3 76.5(4) . .
C28_1 C29_1 Sm7 93.3(7) . .
C11_1 C29_1 Sm7 72.1(6) . .
C30_1 C29_1 Sm7 75.5(5) . .
C52_1 C29_1 Sm7 82.6(5) . .
C52_1 C30_1 C31_1 135.3(7) . .
C52_1 C30_1 C29_1 90.9(7) . .
C31_1 C30_1 C29_1 122.2(7) . .
C52_1 C30_1 Sm7 95.4(5) . .
C31_1 C30_1 Sm7 72.7(6) . .
C29_1 C30_1 Sm7 70.1(5) . .
C52_1 C30_1 Sm3 77.9(5) . .
C31_1 C30_1 Sm3 91.1(6) . .
C29_1 C30_1 Sm3 62.6(4) . .
C30_1 C31_1 C32_1 106.1(8) . .
C30_1 C31_1 C13_1 123.1(9) . .
C32_1 C31_1 C13_1 128.0(8) . .
C30_1 C31_1 Sm7 77.4(7) . .
C32_1 C31_1 Sm7 98.8(8) . .
C13_1 C31_1 Sm7 78.1(6) . .
C30_1 C31_1 Sm8 99.0(8) . .
C32_1 C31_1 Sm8 94.9(7) . .
C13_1 C31_1 Sm8 63.7(5) . .
C30_1 C31_1 Sm3 63.4(6) . .
C32_1 C31_1 Sm3 96.9(7) . .
C13_1 C31_1 Sm3 91.2(6) . .
C31_1 C32_1 C54_1 135.1(9) . .
C31_1 C32_1 C33_1 111.5(7) . .
C54_1 C32_1 C33_1 109.1(8) . .
C31_1 C32_1 Sm7 55.7(6) . .
C54_1 C32_1 Sm7 99.0(4) . .
C33_1 C32_1 Sm7 100.3(4) . .
C34_1 C33_1 C57_1 104.9(8) . .
C34_1 C33_1 C32_1 129.1(9) . .
C57_1 C33_1 C32_1 121.8(6) . .
C34_1 C33_1 Sm6 62.0(3) . .
C57_1 C33_1 Sm6 91.5(4) . .
C32_1 C33_1 Sm6 95.8(4) . .
C34_1 C33_1 Sm6 66.7(4) . 6_565
C57_1 C33_1 Sm6 77.3(4) . 6_565
C32_1 C33_1 Sm6 103.2(3) . 6_565
C33_1 C34_1 C35_1 130.8(8) . .
C33_1 C34_1 C14_1 107.9(8) . .
C35_1 C34_1 C14_1 110.1(9) . .
C33_1 C34_1 Sm6 91.0(4) . .
C35_1 C34_1 Sm6 70.9(4) . .
C14_1 C34_1 Sm6 74.2(6) . .
C33_1 C34_1 Sm6 86.6(4) . 6_565
C35_1 C34_1 Sm6 63.7(3) . 6_565
C14_1 C34_1 Sm6 89.7(7) . 6_565
C16_1 C35_1 C34_1 105.9(8) . .
C16_1 C35_1 C36_1 124.7(8) . .
C34_1 C35_1 C36_1 120.8(7) . .
C16_1 C35_1 Sm6 83.9(4) . 6_565
C34_1 C35_1 Sm6 84.1(3) . 6_565
C36_1 C35_1 Sm6 73.8(4) . 6_565
C16_1 C35_1 Sm6 72.6(4) . .
C34_1 C35_1 Sm6 76.1(4) . .
C36_1 C35_1 Sm6 90.5(4) . .
C16_1 C35_1 Sm1 85.1(4) . 6_565
C34_1 C35_1 Sm1 97.4(3) . 6_565
C36_1 C35_1 Sm1 62.4(4) . 6_565
C16_1 C35_1 Sm1 60.3(4) . .
C34_1 C35_1 Sm1 79.9(4) . .
C36_1 C35_1 Sm1 98.7(4) . .
C58_1 C36_1 C37_1 122.4(9) . .
C58_1 C36_1 C35_1 114.0(7) . .
C37_1 C36_1 C35_1 117.1(8) . .
C58_1 C36_1 Sm6 92.5(7) . 6_565
C37_1 C36_1 Sm6 81.0(5) . 6_565
C35_1 C36_1 Sm6 70.6(4) . 6_565
C58_1 C36_1 Sm1 94.1(7) . 6_565
C37_1 C36_1 Sm1 64.9(4) . 6_565
C35_1 C36_1 Sm1 86.6(4) . 6_565
C58_1 C36_1 Sm8 69.5(7) . 6_565
C37_1 C36_1 Sm8 76.9(6) . 6_565
C35_1 C36_1 Sm8 100.3(5) . 6_565
C58_1 C36_1 Sm6 98.4(7) . .
C37_1 C36_1 Sm6 86.7(5) . .
C35_1 C36_1 Sm6 58.7(4) . .
C61_1 C37_1 C36_1 116.2(9) . .
C61_1 C37_1 C38_1 121.4(9) . .
C36_1 C37_1 C38_1 115.1(8) . .
C61_1 C37_1 Sm1 83.7(5) . 6_565
C36_1 C37_1 Sm1 80.7(4) . 6_565
C38_1 C37_1 Sm1 78.3(5) . 6_565
C61_1 C37_1 Sm6 98.0(5) . 6_565
C36_1 C37_1 Sm6 66.0(4) . 6_565
C38_1 C37_1 Sm6 78.6(5) . 6_565
C61_1 C37_1 Sm5 59.9(5) . 6_565
C36_1 C37_1 Sm5 87.7(5) . 6_565
C38_1 C37_1 Sm5 96.3(5) . 6_565
C61_1 C37_1 Sm8 68.5(6) . 6_565
C36_1 C37_1 Sm8 73.2(5) . 6_565
C38_1 C37_1 Sm8 102.0(6) . 6_565
C39_1 C38_1 C17_1 120.7(11) . .
C39_1 C38_1 C37_1 105.1(9) . .
C17_1 C38_1 C37_1 124.4(8) . .
C39_1 C38_1 Sm1 81.9(5) . 6_565
C17_1 C38_1 Sm1 89.2(5) . 6_565
C37_1 C38_1 Sm1 66.5(4) . 6_565
C39_1 C38_1 Sm6 96.2(6) . 6_565
C17_1 C38_1 Sm6 74.9(5) . 6_565
C37_1 C38_1 Sm6 70.1(4) . 6_565
C39_1 C38_1 Sm6 99.2(6) . .
C17_1 C38_1 Sm6 62.3(4) . .
C37_1 C38_1 Sm6 81.8(4) . .
C40_1 C39_1 C38_1 127.1(12) . .
C40_1 C39_1 C63_1 94.6(9) . .
C38_1 C39_1 C63_1 131.4(10) . .
C40_1 C39_1 Sm1 100.0(6) . 6_565
C38_1 C39_1 Sm1 67.0(5) . 6_565
C63_1 C39_1 Sm1 83.7(6) . 6_565
C39_1 C40_1 C19_1 104.6(8) . .
C39_1 C40_1 C41_1 118.5(8) . .
C19_1 C40_1 C41_1 119.5(9) . .
C39_1 C40_1 C63_1 45.0(6) . .
C19_1 C40_1 C63_1 143.0(6) . .
C41_1 C40_1 C63_1 75.5(6) . .
C64_1 C41_1 C42_1 132.2(12) . .
C64_1 C41_1 C40_1 102.9(9) . .
C42_1 C41_1 C40_1 120.2(10) . .
C41_1 C42_1 C43_1 115.1(12) . .
C41_1 C42_1 C21_1 122.4(10) . .
C43_1 C42_1 C21_1 118.7(9) . .
C42_1 C43_1 C66_1 123.8(9) . .
C42_1 C43_1 C44_1 120.1(9) . .
C66_1 C43_1 C44_1 113.0(9) . .
C23_1 C44_1 C45_1 108.8(9) . .
C23_1 C44_1 C43_1 122.4(9) . .
C45_1 C44_1 C43_1 124.4(8) . .
C44_1 C45_1 C46_1 128.0(9) . .
C44_1 C45_1 C68_1 117.6(9) . .
C46_1 C45_1 C68_1 104.3(9) . .
C25_1 C46_1 C47_1 120.4(7) . .
C25_1 C46_1 C45_1 116.5(8) . .
C47_1 C46_1 C45_1 114.3(7) . .
C48_1 C47_1 C69_1 120.8(8) . .
C48_1 C47_1 C46_1 122.0(8) . .
C69_1 C47_1 C46_1 105.4(7) . .
C48_1 C47_1 Sm4 69.0(4) . .
C69_1 C47_1 Sm4 77.3(7) . .
C46_1 C47_1 Sm4 91.2(4) . .
C47_1 C48_1 C49_1 119.1(8) . .
C47_1 C48_1 C72_1 119.9(9) . .
C49_1 C48_1 C72_1 110.7(9) . .
C47_1 C48_1 Sm4 81.0(5) . .
C49_1 C48_1 Sm4 87.1(4) . .
C72_1 C48_1 Sm4 69.8(3) . .
C47_1 C48_1 Sm2 92.4(5) . .
C49_1 C48_1 Sm2 58.7(3) . .
C72_1 C48_1 Sm2 86.1(4) . .
C26_1 C49_1 C48_1 118.7(8) . .
C26_1 C49_1 C50_1 118.2(9) . .
C48_1 C49_1 C50_1 109.6(9) . .
C26_1 C49_1 Sm2 72.1(4) . .
C48_1 C49_1 Sm2 91.4(4) . .
C50_1 C49_1 Sm2 70.5(7) . .
C26_1 C49_1 Sm4 91.2(4) . .
C48_1 C49_1 Sm4 62.3(3) . .
C50_1 C49_1 Sm4 78.9(7) . .
C51_1 C50_1 C49_1 127.7(14) . .
C51_1 C50_1 C73_1 121.6(12) . .
C49_1 C50_1 C73_1 105.2(9) . .
C51_1 C50_1 Sm2 83.2(9) . .
C49_1 C50_1 Sm2 74.6(7) . .
C73_1 C50_1 Sm2 89.6(7) . .
C51_1 C50_1 Sm4 107.1(10) . .
C49_1 C50_1 Sm4 71.7(6) . .
C73_1 C50_1 Sm4 64.5(6) . .
C50_1 C51_1 C52_1 126.4(11) . .
C50_1 C51_1 C28_1 116.5(10) . .
C52_1 C51_1 C28_1 103.9(7) . .
C50_1 C51_1 Sm2 68.8(8) . .
C52_1 C51_1 Sm2 87.6(4) . .
C28_1 C51_1 Sm2 78.6(4) . .
C50_1 C51_1 Sm3 93.3(8) . .
C52_1 C51_1 Sm3 76.3(5) . .
C28_1 C51_1 Sm3 61.1(3) . .
C30_1 C52_1 C51_1 121.6(8) . .
C30_1 C52_1 C53_1 118.4(7) . .
C51_1 C52_1 C53_1 112.8(8) . .
C30_1 C52_1 C29_1 48.1(5) . .
C51_1 C52_1 C29_1 73.5(6) . .
C53_1 C52_1 C29_1 153.0(7) . .
C30_1 C52_1 Sm3 74.4(5) . .
C51_1 C52_1 Sm3 73.6(5) . .
C53_1 C52_1 Sm3 96.8(4) . .
C29_1 C52_1 Sm3 58.7(4) . .
C30_1 C52_1 Sm2 97.4(5) . .
C51_1 C52_1 Sm2 63.1(4) . .
C53_1 C52_1 Sm2 82.4(4) . .
C29_1 C52_1 Sm2 77.4(4) . .
C30_1 C52_1 Sm7 58.7(5) . .
C51_1 C52_1 Sm7 89.5(5) . .
C53_1 C52_1 Sm7 97.4(5) . .
C29_1 C52_1 Sm7 55.7(4) . .
C74_1 C53_1 C52_1 123.3(9) . .
C74_1 C53_1 C54_1 120.7(10) . .
C52_1 C53_1 C54_1 111.3(7) . .
C32_1 C54_1 C55_1 134.6(9) . .
C32_1 C54_1 C53_1 112.1(11) . .
C55_1 C54_1 C53_1 109.9(7) . .
C56_1 C55_1 C76_1 118.3(10) . .
C56_1 C55_1 C54_1 115.4(9) . .
C76_1 C55_1 C54_1 123.2(9) . .
C56_1 C55_1 Sm7 65.8(7) . 6_565
C76_1 C55_1 Sm7 84.5(8) . 6_565
C54_1 C55_1 Sm7 101.6(4) . 6_565
C56_1 C55_1 Sm3 80.9(7) . 6_565
C76_1 C55_1 Sm3 68.5(8) . 6_565
C54_1 C55_1 Sm3 103.8(4) . 6_565
C55_1 C56_1 C79_1 123.3(10) . .
C55_1 C56_1 C57_1 118.9(8) . .
C79_1 C56_1 C57_1 106.2(5) . .
C55_1 C56_1 Sm7 86.8(7) . 6_565
C79_1 C56_1 Sm7 60.4(5) . 6_565
C57_1 C56_1 Sm7 88.9(5) . 6_565
C55_1 C56_1 Sm8 99.6(7) . 6_565
C79_1 C56_1 Sm8 64.9(5) . 6_565
C57_1 C56_1 Sm8 69.6(4) . 6_565
C58_1 C57_1 C33_1 129.1(7) . .
C58_1 C57_1 C56_1 103.9(6) . .
C33_1 C57_1 C56_1 119.8(6) . .
C58_1 C57_1 Sm8 65.9(6) . 6_565
C33_1 C57_1 Sm8 97.4(4) . 6_565
C56_1 C57_1 Sm8 78.4(5) . 6_565
C58_1 C57_1 Sm6 71.8(6) . 6_565
C33_1 C57_1 Sm6 73.1(3) . 6_565
C56_1 C57_1 Sm6 104.6(5) . 6_565
C36_1 C58_1 C59_1 116.8(8) . .
C36_1 C58_1 C57_1 116.7(8) . .
C59_1 C58_1 C57_1 110.9(8) . .
C36_1 C58_1 Sm8 81.2(7) . 6_565
C59_1 C58_1 Sm8 65.3(7) . 6_565
C57_1 C58_1 Sm8 83.5(7) . 6_565
C36_1 C58_1 Sm6 58.5(6) . 6_565
C59_1 C58_1 Sm6 95.2(7) . 6_565
C57_1 C58_1 Sm6 78.6(6) . 6_565
C36_1 C58_1 Sm1 58.2(6) . 6_565
C59_1 C58_1 Sm1 82.4(7) . 6_565
C57_1 C58_1 Sm1 91.4(6) . 6_565
C60_1 C59_1 C79_1 118.8(9) . .
C60_1 C59_1 C58_1 125.5(9) . .
C79_1 C59_1 C58_1 111.2(7) . .
C60_1 C59_1 Sm8 82.6(10) . 6_565
C79_1 C59_1 Sm8 85.7(6) . 6_565
C58_1 C59_1 Sm8 81.0(8) . 6_565
C60_1 C59_1 Sm7 88.3(10) . 6_565
C79_1 C59_1 Sm7 63.3(5) . 6_565
C58_1 C59_1 Sm7 96.1(8) . 6_565
C60_1 C59_1 Sm5 68.2(9) . 6_565
C79_1 C59_1 Sm5 92.4(5) . 6_565
C58_1 C59_1 Sm5 90.5(7) . 6_565
C59_1 C60_1 C61_1 112.9(11) . .
C59_1 C60_1 C85_1 115.3(12) . .
C61_1 C60_1 C85_1 110.6(11) . .
C59_1 C60_1 Sm5 81.9(10) . 6_565
C61_1 C60_1 Sm5 67.6(8) . 6_565
C85_1 C60_1 Sm5 73.2(8) . 6_565
C59_1 C60_1 Sm8 66.3(9) . 6_565
C61_1 C60_1 Sm8 75.2(8) . 6_565
C85_1 C60_1 Sm8 81.8(9) . 6_565
C59_1 C60_1 Sm7 63.4(8) . 6_565
C61_1 C60_1 Sm7 94.9(9) . 6_565
C85_1 C60_1 Sm7 67.5(8) . 6_565
C37_1 C61_1 C60_1 125.1(10) . .
C37_1 C61_1 C62_1 126.8(12) . .
C60_1 C61_1 C62_1 101.9(11) . .
C37_1 C61_1 Sm5 89.3(5) . 6_565
C60_1 C61_1 Sm5 78.1(9) . 6_565
C62_1 C61_1 Sm5 76.4(6) . 6_565
C37_1 C61_1 Sm1 63.1(5) . 6_565
C60_1 C61_1 Sm1 98.3(9) . 6_565
C62_1 C61_1 Sm1 89.1(6) . 6_565
C37_1 C61_1 Sm8 81.7(6) . 6_565
C60_1 C61_1 Sm8 72.6(9) . 6_565
C62_1 C61_1 Sm8 91.2(7) . 6_565
C63_1 C62_1 C61_1 109.1(15) . .
C63_1 C62_1 C84_1 124.1(11) . .
C61_1 C62_1 C84_1 115.9(11) . .
C63_1 C62_1 Sm5 90.4(8) . 6_565
C61_1 C62_1 Sm5 68.5(5) . 6_565
C84_1 C62_1 Sm5 77.4(5) . 6_565
C63_1 C62_1 Sm1 74.4(8) . 6_565
C61_1 C62_1 Sm1 60.8(6) . 6_565
C84_1 C62_1 Sm1 100.0(6) . 6_565
C62_1 C63_1 C64_1 110.7(11) . .
C62_1 C63_1 C39_1 125.8(13) . .
C64_1 C63_1 C39_1 115.8(12) . .
C62_1 C63_1 C40_1 159.3(11) . .
C64_1 C63_1 C40_1 76.2(9) . .
C39_1 C63_1 C40_1 40.4(6) . .
C62_1 C63_1 Sm5 63.7(7) . 6_565
C64_1 C63_1 Sm5 89.2(6) . 6_565
C39_1 C63_1 Sm5 90.1(6) . 6_565
C40_1 C63_1 Sm5 97.6(6) . 6_565
C62_1 C63_1 Sm1 81.5(8) . 6_565
C64_1 C63_1 Sm1 97.5(6) . 6_565
C39_1 C63_1 Sm1 66.5(5) . 6_565
C40_1 C63_1 Sm1 78.2(5) . 6_565
C41_1 C64_1 C63_1 104.7(11) . .
C41_1 C64_1 C65_1 119.1(11) . .
C63_1 C64_1 C65_1 128.7(11) . .
C83_1 C65_1 C64_1 120.7(13) . .
C83_1 C65_1 C66_1 114.8(13) . .
C64_1 C65_1 C66_1 110.9(9) . .
C43_1 C66_1 C67_1 123.9(9) . .
C43_1 C66_1 C65_1 118.5(10) . .
C67_1 C66_1 C65_1 114.0(9) . .
C68_1 C67_1 C81_1 102.7(11) . .
C68_1 C67_1 C66_1 125.9(10) . .
C81_1 C67_1 C66_1 124.3(9) . .
C67_1 C68_1 C69_1 131.7(11) . .
C67_1 C68_1 C45_1 115.0(10) . .
C69_1 C68_1 C45_1 103.4(9) . .
C70_1 C69_1 C47_1 117.3(7) . .
C70_1 C69_1 C68_1 121.3(8) . .
C47_1 C69_1 C68_1 112.5(8) . .
C70_1 C69_1 Sm4 75.0(5) . .
C47_1 C69_1 Sm4 71.6(7) . .
C68_1 C69_1 Sm4 93.9(7) . .
C80_1 C70_1 C69_1 109.9(9) . .
C80_1 C70_1 C71_1 119.2(9) . .
C69_1 C70_1 C71_1 122.5(8) . .
C80_1 C70_1 Sm2 75.2(4) . 6_565
C69_1 C70_1 Sm2 96.4(5) . 6_565
C71_1 C70_1 Sm2 70.7(4) . 6_565
C80_1 C70_1 Sm4 101.5(5) . .
C69_1 C70_1 Sm4 75.0(5) . .
C71_1 C70_1 Sm4 67.8(3) . .
C88_1 C71_1 C72_1 113.3(8) . .
C88_1 C71_1 C70_1 122.5(9) . .
C72_1 C71_1 C70_1 117.8(9) . .
C88_1 C71_1 Sm4 93.9(7) . .
C72_1 C71_1 Sm4 69.2(3) . .
C70_1 C71_1 Sm4 81.3(4) . .
C88_1 C71_1 Sm2 70.3(7) . 6_565
C72_1 C71_1 Sm2 97.2(4) . 6_565
C70_1 C71_1 Sm2 78.7(4) . 6_565
C71_1 C72_1 C73_1 120.6(9) . .
C71_1 C72_1 C48_1 121.2(9) . .
C73_1 C72_1 C48_1 107.4(12) . .
C71_1 C72_1 Sm4 79.4(4) . .
C73_1 C72_1 Sm4 82.0(3) . .
C48_1 C72_1 Sm4 75.6(4) . .
C74_1 C73_1 C72_1 124.6(10) . .
C74_1 C73_1 C50_1 115.4(9) . .
C72_1 C73_1 C50_1 107.1(8) . .
C74_1 C73_1 Sm4 86.3(4) . .
C72_1 C73_1 Sm4 64.9(3) . .
C50_1 C73_1 Sm4 83.1(6) . .
C74_1 C73_1 Sm2 88.0(3) . .
C72_1 C73_1 Sm2 86.7(4) . .
C50_1 C73_1 Sm2 57.1(6) . .
C75_1 C74_1 C73_1 108.9(9) . .
C75_1 C74_1 C53_1 126.1(11) . .
C73_1 C74_1 C53_1 118.9(12) . .
C75_1 C74_1 Sm4 82.0(4) . .
C73_1 C74_1 Sm4 65.7(3) . .
C53_1 C74_1 Sm4 95.3(3) . .
C74_1 C75_1 C76_1 115.6(10) . .
C74_1 C75_1 C88_1 128.6(10) . .
C76_1 C75_1 C88_1 110.3(8) . .
C74_1 C75_1 Sm2 96.0(4) . 6_565
C76_1 C75_1 Sm2 81.9(7) . 6_565
C88_1 C75_1 Sm2 68.4(7) . 6_565
C55_1 C76_1 C75_1 123.5(12) . .
C55_1 C76_1 C77_1 116.5(10) . .
C75_1 C76_1 C77_1 107.6(9) . .
C55_1 C76_1 Sm3 83.2(8) . 6_565
C75_1 C76_1 Sm3 91.9(8) . 6_565
C77_1 C76_1 Sm3 58.5(6) . 6_565
C55_1 C76_1 Sm2 95.2(9) . 6_565
C75_1 C76_1 Sm2 68.3(7) . 6_565
C77_1 C76_1 Sm2 69.8(6) . 6_565
C78_1 C77_1 C89_1 122.4(8) . .
C78_1 C77_1 C76_1 124.7(9) . .
C89_1 C77_1 C76_1 104.8(7) . .
C78_1 C77_1 Sm3 72.9(5) . 6_565
C89_1 C77_1 Sm3 82.3(4) . 6_565
C76_1 C77_1 Sm3 88.0(7) . 6_565
C78_1 C77_1 Sm2 97.1(5) . 6_565
C89_1 C77_1 Sm2 63.5(3) . 6_565
C76_1 C77_1 Sm2 78.4(7) . 6_565
C78_1 C77_1 Sm7 59.7(6) . 6_565
C89_1 C77_1 Sm7 100.4(5) . 6_565
C76_1 C77_1 Sm7 86.6(7) . 6_565
C79_1 C78_1 C77_1 114.7(8) . .
C79_1 C78_1 C86_1 115.9(9) . .
C77_1 C78_1 C86_1 118.6(8) . .
C79_1 C78_1 Sm7 69.0(5) . 6_565
C77_1 C78_1 Sm7 89.8(6) . 6_565
C86_1 C78_1 Sm7 78.0(7) . 6_565
C79_1 C78_1 Sm3 89.1(5) . 6_565
C77_1 C78_1 Sm3 73.0(5) . 6_565
C86_1 C78_1 Sm3 75.3(6) . 6_565
C78_1 C79_1 C59_1 125.1(6) . .
C78_1 C79_1 C56_1 120.1(7) . .
C59_1 C79_1 C56_1 106.7(6) . .
C78_1 C79_1 Sm7 75.8(5) . 6_565
C59_1 C79_1 Sm7 82.6(6) . 6_565
C56_1 C79_1 Sm7 83.8(6) . 6_565
C78_1 C79_1 Sm8 94.2(5) . 6_565
C59_1 C79_1 Sm8 62.2(5) . 6_565
C56_1 C79_1 Sm8 84.0(6) . 6_565
C78_1 C79_1 Sm3 60.0(4) . 6_565
C59_1 C79_1 Sm3 98.7(5) . 6_565
C56_1 C79_1 Sm3 86.4(5) . 6_565
C70_1 C80_1 C90_1 121.3(10) . .
C70_1 C80_1 C81_1 122.0(12) . .
C90_1 C80_1 C81_1 101.7(7) . .
C70_1 C80_1 Sm2 75.4(4) . 6_565
C90_1 C80_1 Sm2 68.4(5) . 6_565
C81_1 C80_1 Sm2 88.0(5) . 6_565
C67_1 C81_1 C82_1 116.5(11) . .
C67_1 C81_1 C80_1 129.7(11) . .
C82_1 C81_1 C80_1 106.3(8) . .
C83_1 C82_1 C81_1 121.4(13) . .
C83_1 C82_1 C87_1 117.6(12) . .
C81_1 C82_1 C87_1 114.3(10) . .
C82_1 C83_1 C84_1 119.7(13) . .
C82_1 C83_1 C65_1 127.0(14) . .
C84_1 C83_1 C65_1 106.9(13) . .
C83_1 C84_1 C85_1 122.6(12) . .
C83_1 C84_1 C62_1 128.4(10) . .
C85_1 C84_1 C62_1 96.7(10) . .
C83_1 C84_1 Sm5 95.6(8) . 6_565
C85_1 C84_1 Sm5 69.1(6) . 6_565
C62_1 C84_1 Sm5 66.5(5) . 6_565
C86_1 C85_1 C84_1 116.3(10) . .
C86_1 C85_1 C60_1 125.1(10) . .
C84_1 C85_1 C60_1 113.4(12) . .
C86_1 C85_1 Sm5 96.5(7) . 6_565
C84_1 C85_1 Sm5 77.7(6) . 6_565
C60_1 C85_1 Sm5 72.5(8) . 6_565
C86_1 C85_1 Sm7 68.7(6) . 6_565
C84_1 C85_1 Sm7 99.8(6) . 6_565
C60_1 C85_1 Sm7 81.4(8) . 6_565
C86_1 C85_1 Sm8 90.0(7) . 6_565
C84_1 C85_1 Sm8 91.6(7) . 6_565
C60_1 C85_1 Sm8 66.6(8) . 6_565
C86_1 C85_1 Sm3 55.2(6) . 6_565
C84_1 C85_1 Sm3 95.7(5) . 6_565
C60_1 C85_1 Sm3 98.6(8) . 6_565
C87_1 C86_1 C85_1 117.0(10) . .
C87_1 C86_1 C78_1 120.1(9) . .
C85_1 C86_1 C78_1 118.2(9) . .
C87_1 C86_1 Sm3 81.5(8) . 6_565
C85_1 C86_1 Sm3 97.3(8) . 6_565
C78_1 C86_1 Sm3 70.3(6) . 6_565
C87_1 C86_1 Sm7 100.3(9) . 6_565
C85_1 C86_1 Sm7 80.7(7) . 6_565
C78_1 C86_1 Sm7 68.1(6) . 6_565
C87_1 C86_1 Sm5 101.2(8) . 6_565
C85_1 C86_1 Sm5 56.5(6) . 6_565
C78_1 C86_1 Sm5 90.5(7) . 6_565
C86_1 C87_1 C82_1 124.0(11) . .
C86_1 C87_1 C90_1 121.6(9) . .
C82_1 C87_1 C90_1 100.3(9) . .
C86_1 C87_1 Sm3 67.3(7) . 6_565
C82_1 C87_1 Sm3 92.1(9) . 6_565
C90_1 C87_1 Sm3 76.0(6) . 6_565
C71_1 C88_1 C75_1 120.4(9) . .
C71_1 C88_1 C89_1 118.1(9) . .
C75_1 C88_1 C89_1 105.3(8) . .
C71_1 C88_1 Sm2 79.3(7) . 6_565
C75_1 C88_1 Sm2 79.6(7) . 6_565
C89_1 C88_1 Sm2 69.8(6) . 6_565
C71_1 C88_1 Sm4 59.1(6) . .
C75_1 C88_1 Sm4 77.9(6) . .
C89_1 C88_1 Sm4 96.7(7) . .
C90_1 C89_1 C77_1 119.7(8) . .
C90_1 C89_1 C88_1 119.8(9) . .
C77_1 C89_1 C88_1 111.6(7) . .
C90_1 C89_1 Sm2 79.0(5) . 6_565
C77_1 C89_1 Sm2 85.5(4) . 6_565
C88_1 C89_1 Sm2 75.5(6) . 6_565
C90_1 C89_1 Sm3 77.6(5) . 6_565
C77_1 C89_1 Sm3 65.1(3) . 6_565
C88_1 C89_1 Sm3 98.7(6) . 6_565
C89_1 C90_1 C80_1 119.0(10) . .
C89_1 C90_1 C87_1 117.0(9) . .
C80_1 C90_1 C87_1 116.7(9) . .
C89_1 C90_1 Sm2 68.7(4) . 6_565
C80_1 C90_1 Sm2 80.7(5) . 6_565
C87_1 C90_1 Sm2 94.3(7) . 6_565
C89_1 C90_1 Sm3 71.5(4) . 6_565
C80_1 C90_1 Sm3 100.8(6) . 6_565
C87_1 C90_1 Sm3 71.6(6) . 6_565
C10_2 C1_2 C2_2 116.4 . .
C10_2 C1_2 C6_2 119.7 . .
C2_2 C1_2 C6_2 114.0 . .
C10_2 C1_2 Sm3 80.58(6) . 6_565
C2_2 C1_2 Sm3 73.66(5) . 6_565
C6_2 C1_2 Sm3 83.79(5) . 6_565
C10_2 C1_2 Sm7 61.0(2) . 6_565
C2_2 C1_2 Sm7 83.6(2) . 6_565
C6_2 C1_2 Sm7 94.9(2) . 6_565
C10_2 C1_2 Sm2 103.00(2) . 6_565
C2_2 C1_2 Sm2 60.89(2) . 6_565
C6_2 C1_2 Sm2 74.94(2) . 6_565
C3_2 C2_2 C1_2 132.0 . .
C3_2 C2_2 C12_2 121.3 . .
C1_2 C2_2 C12_2 102.1 . .
C3_2 C2_2 Sm3 94.87(6) . 6_565
C1_2 C2_2 Sm3 70.78(5) . 6_565
C12_2 C2_2 Sm3 81.49(5) . 6_565
C3_2 C2_2 Sm2 67.18(3) . 6_565
C1_2 C2_2 Sm2 90.07(3) . 6_565
C12_2 C2_2 Sm2 96.51(3) . 6_565
C3_2 C2_2 Sm7 109.4(2) . 6_565
C1_2 C2_2 Sm7 67.2(2) . 6_565
C12_2 C2_2 Sm7 67.6(2) . 6_565
C15_2 C3_2 C2_2 117.7 . .
C15_2 C3_2 C4_2 120.0 . .
C2_2 C3_2 C4_2 112.6 . .
C15_2 C3_2 Sm2 85.38(3) . 6_565
C2_2 C3_2 Sm2 79.79(4) . 6_565
C4_2 C3_2 Sm2 73.27(3) . 6_565
C15_2 C3_2 Sm3 96.96(3) . 6_565
C2_2 C3_2 Sm3 55.33(4) . 6_565
C4_2 C3_2 Sm3 85.89(4) . 6_565
C18_2 C4_2 C5_2 117.5 . .
C18_2 C4_2 C3_2 115.3 . .
C5_2 C4_2 C3_2 117.0 . .
C18_2 C4_2 Sm2 85.77(4) . 6_565
C5_2 C4_2 Sm2 80.35(3) . 6_565
C3_2 C4_2 Sm2 71.64(3) . 6_565
C18_2 C4_2 Sm4 57.66(4) . .
C5_2 C4_2 Sm4 96.84(4) . .
C3_2 C4_2 Sm4 83.92(5) . .
C18_2 C4_2 Sm3 106.11(3) . 6_565
C5_2 C4_2 Sm3 68.15(3) . 6_565
C3_2 C4_2 Sm3 66.23(3) . 6_565
C4_2 C5_2 C6_2 128.8 . .
C4_2 C5_2 C20_2 94.1 . .
C6_2 C5_2 C20_2 129.2 . .
C4_2 C5_2 Sm2 66.99(3) . 6_565
C6_2 C5_2 Sm2 88.02(3) . 6_565
C20_2 C5_2 Sm2 85.64(3) . 6_565
C4_2 C5_2 Sm3 84.73(4) . 6_565
C6_2 C5_2 Sm3 63.65(4) . 6_565
C20_2 C5_2 Sm3 101.12(3) . 6_565
C7_2 C6_2 C5_2 114.0 . .
C7_2 C6_2 C1_2 121.2 . .
C5_2 C6_2 C1_2 115.5 . .
C7_2 C6_2 Sm3 91.15(4) . 6_565
C5_2 C6_2 Sm3 86.89(5) . 6_565
C1_2 C6_2 Sm3 62.34(4) . 6_565
C7_2 C6_2 Sm2 100.62(2) . 6_565
C5_2 C6_2 Sm2 62.76(3) . 6_565
C1_2 C6_2 Sm2 76.27(3) . 6_565
C6_2 C7_2 C22_2 109.1 . .
C6_2 C7_2 C8_2 118.9 . .
C22_2 C7_2 C8_2 121.9 . .
C6_2 C7_2 Sm3 61.98(4) . 6_565
C22_2 C7_2 Sm3 93.90(4) . 6_565
C8_2 C7_2 Sm3 82.21(5) . 6_565
C24_2 C8_2 C9_2 121.3 . .
C24_2 C8_2 C7_2 105.7 . .
C9_2 C8_2 C7_2 124.8 . .
C24_2 C8_2 Sm5 76.19(7) . 6_565
C9_2 C8_2 Sm5 65.83(6) . 6_565
C7_2 C8_2 Sm5 102.83(5) . 6_565
C24_2 C8_2 Sm7 101.8(2) . 6_565
C9_2 C8_2 Sm7 58.1(2) . 6_565
C7_2 C8_2 Sm7 87.0(2) . 6_565
C24_2 C8_2 Sm3 106.65(3) . 6_565
C9_2 C8_2 Sm3 70.38(4) . 6_565
C7_2 C8_2 Sm3 69.63(4) . 6_565
C8_2 C9_2 C27_2 124.7 . .
C8_2 C9_2 C10_2 112.2 . .
C27_2 C9_2 C10_2 116.0 . .
C8_2 C9_2 Sm5 81.75(7) . 6_565
C27_2 C9_2 Sm5 67.45(6) . 6_565
C10_2 C9_2 Sm5 96.96(7) . 6_565
C8_2 C9_2 Sm7 93.6(2) . 6_565
C27_2 C9_2 Sm7 83.7(3) . 6_565
C10_2 C9_2 Sm7 65.0(2) . 6_565
C8_2 C9_2 Sm8 95.6(3) . 6_565
C27_2 C9_2 Sm8 63.8(2) . 6_565
C10_2 C9_2 Sm8 85.5(3) . 6_565
C8_2 C9_2 Sm3 82.39(4) . 6_565
C27_2 C9_2 Sm3 101.28(4) . 6_565
C10_2 C9_2 Sm3 58.04(3) . 6_565
C11_2 C10_2 C1_2 107.6 . .
C11_2 C10_2 C9_2 121.2 . .
C1_2 C10_2 C9_2 122.9 . .
C11_2 C10_2 Sm7 73.9(3) . 6_565
C1_2 C10_2 Sm7 87.2(3) . 6_565
C9_2 C10_2 Sm7 80.2(3) . 6_565
C11_2 C10_2 Sm3 82.82(4) . 6_565
C1_2 C10_2 Sm3 65.55(5) . 6_565
C9_2 C10_2 Sm3 91.80(5) . 6_565
C11_2 C10_2 Sm8 76.4(3) . 6_565
C1_2 C10_2 Sm8 104.4(2) . 6_565
C9_2 C10_2 Sm8 64.4(3) . 6_565
C11_2 C10_2 Sm5 90.11(6) . 6_565
C1_2 C10_2 Sm5 102.29(5) . 6_565
C9_2 C10_2 Sm5 53.69(5) . 6_565
C29_2 C11_2 C10_2 126.5 . .
C29_2 C11_2 C12_2 114.7 . .
C10_2 C11_2 C12_2 108.8 . .
C29_2 C11_2 Sm7 82.2(3) . 6_565
C10_2 C11_2 Sm7 72.6(3) . 6_565
C12_2 C11_2 Sm7 84.3(3) . 6_565
C29_2 C11_2 Sm3 100.45(4) . 6_565
C10_2 C11_2 Sm3 67.15(4) . 6_565
C12_2 C11_2 Sm3 69.73(5) . 6_565
C29_2 C11_2 Sm8 66.2(3) . 6_565
C10_2 C11_2 Sm8 76.9(3) . 6_565
C12_2 C11_2 Sm8 100.5(2) . 6_565
C13_2 C12_2 C2_2 115.0 . .
C13_2 C12_2 C11_2 125.9 . .
C2_2 C12_2 C11_2 104.7 . .
C13_2 C12_2 Sm3 90.76(4) . 6_565
C2_2 C12_2 Sm3 62.88(5) . 6_565
C11_2 C12_2 Sm3 75.76(5) . 6_565
C13_2 C12_2 Sm7 90.6(2) . 6_565
C2_2 C12_2 Sm7 80.8(2) . 6_565
C11_2 C12_2 Sm7 60.4(2) . 6_565
C14_2 C13_2 C12_2 116.4 . .
C14_2 C13_2 C31_2 120.7 . .
C12_2 C13_2 C31_2 115.8 . .
C14_2 C13_2 Sm3 89.31(5) . 6_565
C12_2 C13_2 Sm3 61.16(3) . 6_565
C31_2 C13_2 Sm3 92.44(4) . 6_565
C14_2 C13_2 Sm7 104.5(2) . 6_565
C12_2 C13_2 Sm7 62.2(2) . 6_565
C31_2 C13_2 Sm7 77.2(2) . 6_565
C13_2 C14_2 C15_2 128.6 . .
C13_2 C14_2 C34_2 116.3 . .
C15_2 C14_2 C34_2 109.3 . .
C13_2 C14_2 Sm2 87.89(3) . 6_565
C15_2 C14_2 Sm2 63.93(2) . 6_565
C34_2 C14_2 Sm2 96.49(2) . 6_565
C3_2 C15_2 C14_2 119.3 . .
C3_2 C15_2 C16_2 127.0 . .
C14_2 C15_2 C16_2 102.9 . .
C3_2 C15_2 Sm2 64.77(2) . 6_565
C14_2 C15_2 Sm2 87.64(3) . 6_565
C16_2 C15_2 Sm2 88.21(3) . 6_565
C3_2 C15_2 Sm4 86.98(3) . .
C14_2 C15_2 Sm4 92.17(5) . .
C16_2 C15_2 Sm4 59.36(3) . .
C35_2 C16_2 C17_2 115.4 . .
C35_2 C16_2 C15_2 120.7 . .
C17_2 C16_2 C15_2 115.4 . .
C35_2 C16_2 Sm4 85.32(3) . .
C17_2 C16_2 Sm4 63.78(6) . .
C15_2 C16_2 Sm4 91.09(3) . .
C35_2 C16_2 Sm2 101.84(2) . 6_565
C17_2 C16_2 Sm2 77.73(3) . 6_565
C15_2 C16_2 Sm2 62.25(3) . 6_565
C16_2 C17_2 C38_2 120.3 . .
C16_2 C17_2 C18_2 117.0 . .
C38_2 C17_2 C18_2 115.2 . .
C16_2 C17_2 Sm4 82.92(7) . .
C38_2 C17_2 Sm4 78.43(4) . .
C18_2 C17_2 Sm4 81.13(4) . .
C16_2 C17_2 Sm2 74.90(2) . 6_565
C38_2 C17_2 Sm2 105.26(2) . 6_565
C18_2 C17_2 Sm2 63.71(2) . 6_565
C19_2 C18_2 C4_2 114.9 . .
C19_2 C18_2 C17_2 110.3 . .
C4_2 C18_2 C17_2 125.3 . .
C19_2 C18_2 Sm4 80.61(6) . .
C4_2 C18_2 Sm4 94.41(3) . .
C17_2 C18_2 Sm4 64.16(4) . .
C19_2 C18_2 Sm2 91.62(3) . 6_565
C4_2 C18_2 Sm2 62.90(3) . 6_565
C17_2 C18_2 Sm2 87.23(3) . 6_565
C40_2 C19_2 C18_2 141.2 . .
C40_2 C19_2 C20_2 115.2 . .
C18_2 C19_2 C20_2 97.3 . .
C40_2 C19_2 Sm4 86.51(4) . .
C18_2 C19_2 Sm4 69.66(5) . .
C20_2 C19_2 Sm4 94.30(3) . .
C40_2 C19_2 Sm2 108.58(2) . 6_565
C18_2 C19_2 Sm2 62.26(2) . 6_565
C20_2 C19_2 Sm2 69.39(2) . 6_565
C21_2 C20_2 C5_2 114.6 . .
C21_2 C20_2 C19_2 119.5 . .
C5_2 C20_2 C19_2 116.0 . .
C21_2 C20_2 Sm2 95.71(2) . 6_565
C5_2 C20_2 Sm2 62.68(3) . 6_565
C19_2 C20_2 Sm2 80.15(3) . 6_565
C22_2 C21_2 C20_2 103.8 . .
C22_2 C21_2 C42_2 129.6 . .
C20_2 C21_2 C42_2 120.4 . .
C21_2 C22_2 C7_2 147.2 . .
C21_2 C22_2 C23_2 110.8 . .
C7_2 C22_2 C23_2 94.1 . .
C44_2 C23_2 C24_2 123.7 . .
C44_2 C23_2 C22_2 119.7 . .
C24_2 C23_2 C22_2 108.7 . .
C8_2 C24_2 C25_2 118.7 . .
C8_2 C24_2 C23_2 108.3 . .
C25_2 C24_2 C23_2 123.5 . .
C8_2 C24_2 Sm5 73.26(7) . 6_565
C25_2 C24_2 Sm5 70.60(6) . 6_565
C23_2 C24_2 Sm5 96.79(5) . 6_565
C24_2 C25_2 C46_2 114.2 . .
C24_2 C25_2 C26_2 120.4 . .
C46_2 C25_2 C26_2 117.3 . .
C24_2 C25_2 Sm5 76.72(7) . 6_565
C46_2 C25_2 Sm5 100.86(6) . 6_565
C26_2 C25_2 Sm5 66.20(6) . 6_565
C24_2 C25_2 Sm1 98.89(3) . 6_565
C46_2 C25_2 Sm1 83.30(3) . 6_565
C26_2 C25_2 Sm1 60.77(2) . 6_565
C49_2 C26_2 C27_2 113.8 . .
C49_2 C26_2 C25_2 120.2 . .
C27_2 C26_2 C25_2 118.1 . .
C49_2 C26_2 Sm5 96.42(7) . 6_565
C27_2 C26_2 Sm5 67.47(7) . 6_565
C25_2 C26_2 Sm5 78.43(7) . 6_565
C49_2 C26_2 Sm1 69.53(4) . 6_565
C27_2 C26_2 Sm1 84.82(3) . 6_565
C25_2 C26_2 Sm1 87.45(4) . 6_565
C49_2 C26_2 Sm8 88.5(3) . 6_565
C27_2 C26_2 Sm8 60.5(2) . 6_565
C25_2 C26_2 Sm8 92.4(3) . 6_565
C9_2 C27_2 C26_2 116.4 . .
C9_2 C27_2 C28_2 116.6 . .
C26_2 C27_2 C28_2 119.9 . .
C9_2 C27_2 Sm5 76.94(8) . 6_565
C26_2 C27_2 Sm5 75.93(8) . 6_565
C28_2 C27_2 Sm5 90.44(7) . 6_565
C9_2 C27_2 Sm8 83.3(3) . 6_565
C26_2 C27_2 Sm8 86.9(3) . 6_565
C28_2 C27_2 Sm8 73.2(3) . 6_565
C9_2 C27_2 Sm7 65.1(2) . 6_565
C26_2 C27_2 Sm7 105.2(2) . 6_565
C28_2 C27_2 Sm7 74.2(2) . 6_565
C9_2 C27_2 Sm1 101.07(3) . 6_565
C26_2 C27_2 Sm1 63.52(3) . 6_565
C28_2 C27_2 Sm1 80.52(4) . 6_565
C51_2 C28_2 C29_2 107.0 . .
C51_2 C28_2 C27_2 121.1 . .
C29_2 C28_2 C27_2 122.7 . .
C51_2 C28_2 Sm8 86.8(3) . 6_565
C29_2 C28_2 Sm8 84.0(3) . 6_565
C27_2 C28_2 Sm8 70.5(3) . 6_565
C51_2 C28_2 Sm5 93.25(6) . 6_565
C29_2 C28_2 Sm5 94.14(6) . 6_565
C27_2 C28_2 Sm5 56.48(5) . 6_565
C51_2 C28_2 Sm7 103.0(2) . 6_565
C29_2 C28_2 Sm7 65.6(2) . 6_565
C27_2 C28_2 Sm7 74.5(2) . 6_565
C51_2 C28_2 Sm1 69.97(4) . 6_565
C29_2 C28_2 Sm1 103.62(2) . 6_565
C27_2 C28_2 Sm1 69.45(4) . 6_565
C51_2 C28_2 Sm6 59.02(7) . 6_565
C29_2 C28_2 Sm6 96.45(7) . 6_565
C27_2 C28_2 Sm6 84.40(8) . 6_565
C11_2 C29_2 C28_2 116.1 . .
C11_2 C29_2 C30_2 119.3 . .
C28_2 C29_2 C30_2 114.0 . .
C11_2 C29_2 Sm7 66.5(3) . 6_565
C28_2 C29_2 Sm7 84.2(2) . 6_565
C30_2 C29_2 Sm7 87.2(2) . 6_565
C11_2 C29_2 Sm8 86.7(3) . 6_565
C28_2 C29_2 Sm8 64.5(3) . 6_565
C30_2 C29_2 Sm8 85.7(3) . 6_565
C52_2 C30_2 C31_2 131.3 . .
C52_2 C30_2 C29_2 95.7 . .
C31_2 C30_2 C29_2 123.7 . .
C52_2 C30_2 Sm7 93.9(2) . 6_565
C31_2 C30_2 Sm7 83.6(2) . 6_565
C29_2 C30_2 Sm7 60.9(2) . 6_565
C52_2 C30_2 Sm8 73.6(2) . 6_565
C31_2 C30_2 Sm8 97.7(2) . 6_565
C29_2 C30_2 Sm8 63.5(2) . 6_565
C32_2 C31_2 C30_2 107.9 . .
C32_2 C31_2 C13_2 127.9 . .
C30_2 C31_2 C13_2 119.1 . .
C32_2 C31_2 Sm7 103.2(2) . 6_565
C30_2 C31_2 Sm7 69.9(2) . 6_565
C13_2 C31_2 Sm7 75.1(2) . 6_565
C31_2 C32_2 C54_2 134.3 . .
C31_2 C32_2 C33_2 110.3 . .
C54_2 C32_2 C33_2 112.0 . .
C34_2 C33_2 C57_2 103.7 . .
C34_2 C33_2 C32_2 131.9 . .
C57_2 C33_2 C32_2 121.1 . .
C33_2 C34_2 C35_2 133.3 . .
C33_2 C34_2 C14_2 111.9 . .
C35_2 C34_2 C14_2 102.7 . .
C16_2 C35_2 C36_2 130.6 . .
C16_2 C35_2 C34_2 104.5 . .
C36_2 C35_2 C34_2 116.7 . .
C16_2 C35_2 Sm2 94.91(3) . .
C36_2 C35_2 Sm2 60.59(2) . .
C34_2 C35_2 Sm2 90.26(3) . .
C16_2 C35_2 Sm4 65.17(3) . .
C36_2 C35_2 Sm4 84.90(2) . .
C34_2 C35_2 Sm4 94.38(5) . .
C58_2 C36_2 C35_2 115.6 . .
C58_2 C36_2 C37_2 122.0 . .
C35_2 C36_2 C37_2 113.6 . .
C58_2 C36_2 Sm2 81.06(4) . .
C35_2 C36_2 Sm2 87.16(3) . .
C37_2 C36_2 Sm2 72.61(3) . .
C58_2 C36_2 Sm3 58.20(4) . .
C35_2 C36_2 Sm3 99.20(3) . .
C37_2 C36_2 Sm3 85.65(4) . .
C58_2 C36_2 Sm4 106.01(4) . .
C35_2 C36_2 Sm4 66.38(4) . .
C37_2 C36_2 Sm4 68.51(5) . .
C61_2 C37_2 C38_2 123.6 . .
C61_2 C37_2 C36_2 114.1 . .
C38_2 C37_2 C36_2 115.2 . .
C61_2 C37_2 Sm2 82.72(3) . .
C38_2 C37_2 Sm2 88.91(3) . .
C36_2 C37_2 Sm2 70.81(3) . .
C61_2 C37_2 Sm4 103.39(4) . .
C38_2 C37_2 Sm4 59.29(4) . .
C36_2 C37_2 Sm4 82.00(6) . .
C17_2 C38_2 C37_2 124.9 . .
C17_2 C38_2 C39_2 125.4 . .
C37_2 C38_2 C39_2 100.8 . .
C17_2 C38_2 Sm4 66.67(4) . .
C37_2 C38_2 Sm4 89.62(3) . .
C39_2 C38_2 Sm4 87.67(7) . .
C17_2 C38_2 Sm2 90.36(2) . .
C37_2 C38_2 Sm2 59.43(2) . .
C39_2 C38_2 Sm2 88.85(2) . .
C63_2 C39_2 C40_2 103.0 . .
C63_2 C39_2 C38_2 130.9 . .
C40_2 C39_2 C38_2 115.9 . .
C63_2 C39_2 Sm4 101.79(4) . .
C40_2 C39_2 Sm4 79.09(4) . .
C38_2 C39_2 Sm4 60.53(5) . .
C19_2 C40_2 C39_2 111.5 . .
C19_2 C40_2 C41_2 125.6 . .
C39_2 C40_2 C41_2 109.9 . .
C19_2 C40_2 Sm4 66.29(2) . .
C39_2 C40_2 Sm4 72.70(2) . .
C41_2 C40_2 Sm4 94.87(5) . .
C64_2 C41_2 C42_2 131.4 . .
C64_2 C41_2 C40_2 108.2 . .
C42_2 C41_2 C40_2 115.8 . .
C43_2 C42_2 C41_2 118.5 . .
C43_2 C42_2 C21_2 115.8 . .
C41_2 C42_2 C21_2 122.1 . .
C42_2 C43_2 C66_2 119.7 . .
C42_2 C43_2 C44_2 124.2 . .
C66_2 C43_2 C44_2 113.5 . .
C23_2 C44_2 C45_2 111.8 . .
C23_2 C44_2 C43_2 119.7 . .
C45_2 C44_2 C43_2 124.9 . .
C46_2 C45_2 C44_2 129.9 . .
C46_2 C45_2 C68_2 101.1 . .
C44_2 C45_2 C68_2 119.3 . .
C47_2 C46_2 C45_2 118.6 . .
C47_2 C46_2 C25_2 118.1 . .
C45_2 C46_2 C25_2 114.2 . .
C47_2 C46_2 Sm1 73.91(3) . 6_565
C45_2 C46_2 Sm1 98.90(2) . 6_565
C25_2 C46_2 Sm1 68.32(3) . 6_565
C48_2 C47_2 C46_2 124.8 . .
C48_2 C47_2 C69_2 120.0 . .
C46_2 C47_2 C69_2 104.2 . .
C48_2 C47_2 Sm1 63.76(3) . 6_565
C46_2 C47_2 Sm1 78.85(4) . 6_565
C69_2 C47_2 Sm1 99.15(3) . 6_565
C47_2 C48_2 C49_2 118.3 . .
C47_2 C48_2 C72_2 119.1 . .
C49_2 C48_2 C72_2 112.8 . .
C47_2 C48_2 Sm1 88.52(3) . 6_565
C49_2 C48_2 Sm1 62.97(3) . 6_565
C72_2 C48_2 Sm1 86.64(4) . 6_565
C47_2 C48_2 Sm6 98.81(7) . 6_565
C49_2 C48_2 Sm6 67.46(8) . 6_565
C72_2 C48_2 Sm6 72.00(8) . 6_565
C26_2 C49_2 C48_2 121.0 . .
C26_2 C49_2 C50_2 124.9 . .
C48_2 C49_2 C50_2 104.4 . .
C26_2 C49_2 Sm1 76.95(5) . 6_565
C48_2 C49_2 Sm1 84.74(3) . 6_565
C50_2 C49_2 Sm1 77.87(4) . 6_565
C26_2 C49_2 Sm6 90.95(8) . 6_565
C48_2 C49_2 Sm6 83.61(9) . 6_565
C50_2 C49_2 Sm6 63.15(8) . 6_565
C26_2 C49_2 Sm5 54.60(5) . 6_565
C48_2 C49_2 Sm5 101.40(5) . 6_565
C50_2 C49_2 Sm5 89.09(6) . 6_565
C26_2 C49_2 Sm8 63.7(3) . 6_565
C48_2 C49_2 Sm8 105.8(2) . 6_565
C50_2 C49_2 Sm8 75.7(3) . 6_565
C51_2 C50_2 C73_2 127.5 . .
C51_2 C50_2 C49_2 113.5 . .
C73_2 C50_2 C49_2 107.3 . .
C51_2 C50_2 Sm6 81.59(10) . 6_565
C73_2 C50_2 Sm6 72.84(9) . 6_565
C49_2 C50_2 Sm6 81.73(10) . 6_565
C51_2 C50_2 Sm1 83.94(3) . 6_565
C73_2 C50_2 Sm1 84.61(4) . 6_565
C49_2 C50_2 Sm1 65.02(4) . 6_565
C51_2 C50_2 Sm6 89.01(8) . .
C73_2 C50_2 Sm6 59.89(7) . .
C49_2 C50_2 Sm6 88.59(8) . .
C51_2 C50_2 Sm8 62.2(2) . 6_565
C73_2 C50_2 Sm8 101.3(2) . 6_565
C49_2 C50_2 Sm8 73.8(3) . 6_565
C50_2 C51_2 C28_2 126.0 . .
C50_2 C51_2 C52_2 123.0 . .
C28_2 C51_2 C52_2 100.4 . .
C50_2 C51_2 Sm6 68.93(8) . 6_565
C28_2 C51_2 Sm6 94.20(8) . 6_565
C52_2 C51_2 Sm6 77.41(9) . 6_565
C50_2 C51_2 Sm8 92.5(3) . 6_565
C28_2 C51_2 Sm8 62.5(3) . 6_565
C52_2 C51_2 Sm8 80.4(3) . 6_565
C50_2 C51_2 Sm1 68.12(3) . 6_565
C28_2 C51_2 Sm1 82.15(4) . 6_565
C52_2 C51_2 Sm1 90.71(3) . 6_565
C30_2 C52_2 C51_2 121.6 . .
C30_2 C52_2 C53_2 119.0 . .
C51_2 C52_2 C53_2 112.8 . .
C30_2 C52_2 Sm6 105.53(7) . 6_565
C51_2 C52_2 Sm6 70.09(7) . 6_565
C53_2 C52_2 Sm6 68.39(8) . 6_565
C30_2 C52_2 Sm8 81.0(2) . 6_565
C51_2 C52_2 Sm8 68.5(2) . 6_565
C53_2 C52_2 Sm8 95.8(2) . 6_565
C30_2 C52_2 Sm6 109.22(6) . .
C51_2 C52_2 Sm6 79.13(8) . .
C53_2 C52_2 Sm6 55.59(7) . .
C54_2 C53_2 C52_2 111.7 . .
C54_2 C53_2 C74_2 122.7 . .
C52_2 C53_2 C74_2 120.1 . .
C54_2 C53_2 Sm6 91.88(9) . .
C52_2 C53_2 Sm6 93.98(9) . .
C74_2 C53_2 Sm6 62.87(8) . .
C54_2 C53_2 Sm6 99.36(7) . 6_565
C52_2 C53_2 Sm6 78.27(9) . 6_565
C74_2 C53_2 Sm6 70.36(9) . 6_565
C54_2 C53_2 Sm8 66.7(2) . .
C52_2 C53_2 Sm8 115.2(2) . .
C74_2 C53_2 Sm8 70.3(2) . .
C32_2 C54_2 C53_2 115.2 . .
C32_2 C54_2 C55_2 133.3 . .
C53_2 C54_2 C55_2 108.7 . .
C32_2 C54_2 Sm8 109.2(2) . .
C53_2 C54_2 Sm8 85.1(2) . .
C55_2 C54_2 Sm8 58.9(2) . .
C32_2 C54_2 Sm7 96.8(2) . .
C53_2 C54_2 Sm7 105.8(2) . .
C55_2 C54_2 Sm7 55.3(2) . .
C32_2 C54_2 Sm6 106.70(6) . .
C53_2 C54_2 Sm6 58.55(7) . .
C55_2 C54_2 Sm6 82.94(8) . .
C56_2 C55_2 C76_2 114.5 . .
C56_2 C55_2 C54_2 117.2 . .
C76_2 C55_2 C54_2 123.8 . .
C56_2 C55_2 Sm7 66.1(3) . .
C76_2 C55_2 Sm7 88.8(3) . .
C54_2 C55_2 Sm7 92.7(3) . .
C56_2 C55_2 Sm8 89.9(3) . .
C76_2 C55_2 Sm8 70.8(3) . .
C54_2 C55_2 Sm8 88.7(3) . .
C56_2 C55_2 Sm5 86.84(6) . .
C76_2 C55_2 Sm5 64.85(4) . .
C54_2 C55_2 Sm5 97.38(5) . .
C56_2 C55_2 Sm3 55.01(3) . .
C76_2 C55_2 Sm3 99.36(4) . .
C54_2 C55_2 Sm3 92.77(3) . .
C55_2 C56_2 C79_2 127.4 . .
C55_2 C56_2 C57_2 115.1 . .
C79_2 C56_2 C57_2 109.4 . .
C55_2 C56_2 Sm7 77.9(3) . .
C79_2 C56_2 Sm7 76.9(3) . .
C57_2 C56_2 Sm7 88.3(3) . .
C55_2 C56_2 Sm3 97.68(5) . .
C79_2 C56_2 Sm3 69.67(4) . .
C57_2 C56_2 Sm3 73.19(5) . .
C55_2 C56_2 Sm8 59.9(3) . .
C79_2 C56_2 Sm8 84.7(3) . .
C57_2 C56_2 Sm8 102.7(3) . .
C58_2 C57_2 C33_2 132.0 . .
C58_2 C57_2 C56_2 97.6 . .
C33_2 C57_2 C56_2 120.9 . .
C58_2 C57_2 Sm3 69.49(5) . .
C33_2 C57_2 Sm3 97.53(4) . .
C56_2 C57_2 Sm3 68.29(5) . .
C58_2 C57_2 Sm7 85.9(2) . .
C33_2 C57_2 Sm7 94.5(2) . .
C56_2 C57_2 Sm7 53.6(2) . .
C58_2 C57_2 Sm2 62.88(2) . .
C33_2 C57_2 Sm2 86.53(2) . .
C56_2 C57_2 Sm2 92.04(3) . .
C59_2 C58_2 C57_2 118.5 . .
C59_2 C58_2 C36_2 115.7 . .
C57_2 C58_2 C36_2 114.6 . .
C59_2 C58_2 Sm3 67.63(4) . .
C57_2 C58_2 Sm3 77.91(5) . .
C36_2 C58_2 Sm3 91.79(5) . .
C59_2 C58_2 Sm2 83.17(3) . .
C57_2 C58_2 Sm2 87.81(3) . .
C36_2 C58_2 Sm2 65.18(3) . .
C59_2 C58_2 Sm7 68.4(2) . .
C57_2 C58_2 Sm7 65.6(2) . .
C36_2 C58_2 Sm7 106.1(2) . .
C60_2 C59_2 C58_2 126.8 . .
C60_2 C59_2 C79_2 117.8 . .
C58_2 C59_2 C79_2 108.9 . .
C60_2 C59_2 Sm3 89.69(5) . .
C58_2 C59_2 Sm3 78.45(5) . .
C79_2 C59_2 Sm3 75.20(6) . .
C60_2 C59_2 Sm7 100.4(2) . .
C58_2 C59_2 Sm7 83.6(2) . .
C79_2 C59_2 Sm7 57.5(2) . .
C60_2 C59_2 Sm2 81.30(2) . .
C58_2 C59_2 Sm2 66.79(2) . .
C79_2 C59_2 Sm2 99.37(3) . .
C59_2 C60_2 C61_2 115.2 . .
C59_2 C60_2 C85_2 116.1 . .
C61_2 C60_2 C85_2 112.8 . .
C59_2 C60_2 Sm3 59.49(4) . .
C61_2 C60_2 Sm3 87.12(5) . .
C85_2 C60_2 Sm3 84.00(4) . .
C59_2 C60_2 Sm2 70.73(3) . .
C61_2 C60_2 Sm2 63.77(3) . .
C85_2 C60_2 Sm2 96.61(2) . .
C37_2 C61_2 C60_2 125.7 . .
C37_2 C61_2 C62_2 131.9 . .
C60_2 C61_2 C62_2 94.8 . .
C37_2 C61_2 Sm2 64.97(3) . .
C60_2 C61_2 Sm2 86.75(3) . .
C62_2 C61_2 Sm2 96.88(2) . .
C37_2 C61_2 Sm3 83.32(4) . .
C60_2 C61_2 Sm3 64.23(4) . .
C62_2 C61_2 Sm3 94.59(3) . .
C63_2 C62_2 C84_2 129.2 . .
C63_2 C62_2 C61_2 95.5 . .
C84_2 C62_2 C61_2 121.6 . .
C62_2 C63_2 C39_2 136.1 . .
C62_2 C63_2 C64_2 105.1 . .
C39_2 C63_2 C64_2 112.0 . .
C41_2 C64_2 C63_2 105.5 . .
C41_2 C64_2 C65_2 113.7 . .
C63_2 C64_2 C65_2 132.5 . .
C66_2 C65_2 C64_2 114.0 . .
C66_2 C65_2 C83_2 122.4 . .
C64_2 C65_2 C83_2 112.9 . .
C43_2 C66_2 C65_2 122.5 . .
C43_2 C66_2 C67_2 124.1 . .
C65_2 C66_2 C67_2 109.1 . .
C68_2 C67_2 C81_2 98.9 . .
C68_2 C67_2 C66_2 128.6 . .
C81_2 C67_2 C66_2 125.5 . .
C67_2 C68_2 C69_2 136.2 . .
C67_2 C68_2 C45_2 109.3 . .
C69_2 C68_2 C45_2 103.6 . .
C70_2 C69_2 C68_2 123.0 . .
C70_2 C69_2 C47_2 115.4 . .
C68_2 C69_2 C47_2 112.2 . .
C71_2 C70_2 C69_2 124.2 . .
C71_2 C70_2 C80_2 120.0 . .
C69_2 C70_2 C80_2 106.4 . .
C71_2 C70_2 Sm1 62.79(3) . .
C69_2 C70_2 Sm1 92.63(3) . .
C80_2 C70_2 Sm1 86.84(4) . .
C72_2 C71_2 C70_2 121.2 . .
C72_2 C71_2 C88_2 114.9 . .
C70_2 C71_2 C88_2 115.9 . .
C72_2 C71_2 Sm1 81.19(4) . .
C70_2 C71_2 Sm1 89.47(4) . .
C88_2 C71_2 Sm1 70.43(3) . .
C72_2 C71_2 Sm6 67.60(7) . .
C70_2 C71_2 Sm6 100.03(7) . .
C88_2 C71_2 Sm6 74.38(8) . .
C71_2 C72_2 C73_2 123.3 . .
C71_2 C72_2 C48_2 119.8 . .
C73_2 C72_2 C48_2 106.3 . .
C71_2 C72_2 Sm1 69.94(4) . .
C73_2 C72_2 Sm1 75.76(4) . .
C48_2 C72_2 Sm1 94.23(3) . .
C71_2 C72_2 Sm6 85.77(8) . .
C73_2 C72_2 Sm6 61.85(8) . .
C48_2 C72_2 Sm6 89.96(8) . .
C71_2 C72_2 Sm6 98.07(7) . 6_565
C73_2 C72_2 Sm6 59.96(8) . 6_565
C48_2 C72_2 Sm6 77.71(8) . 6_565
C71_2 C72_2 Sm1 101.95(2) . 6_565
C73_2 C72_2 Sm1 70.32(3) . 6_565
C48_2 C72_2 Sm1 62.92(3) . 6_565
C74_2 C73_2 C72_2 125.7 . .
C74_2 C73_2 C50_2 114.6 . .
C72_2 C73_2 C50_2 108.8 . .
C74_2 C73_2 Sm6 65.15(10) . .
C72_2 C73_2 Sm6 85.98(10) . .
C50_2 C73_2 Sm6 88.00(9) . .
C74_2 C73_2 Sm6 75.60(9) . 6_565
C72_2 C73_2 Sm6 89.03(10) . 6_565
C50_2 C73_2 Sm6 71.81(9) . 6_565
C74_2 C73_2 Sm1 68.14(3) . .
C72_2 C73_2 Sm1 73.24(3) . .
C50_2 C73_2 Sm1 100.67(3) . .
C74_2 C73_2 Sm1 90.46(3) . 6_565
C72_2 C73_2 Sm1 80.57(3) . 6_565
C50_2 C73_2 Sm1 63.84(3) . 6_565
C75_2 C74_2 C73_2 102.9 . .
C75_2 C74_2 C53_2 129.2 . .
C73_2 C74_2 C53_2 121.8 . .
C75_2 C74_2 Sm6 85.30(10) . .
C73_2 C74_2 Sm6 81.19(10) . .
C53_2 C74_2 Sm6 79.58(10) . .
C75_2 C74_2 Sm6 99.92(9) . 6_565
C73_2 C74_2 Sm6 72.57(8) . 6_565
C53_2 C74_2 Sm6 74.54(10) . 6_565
C75_2 C74_2 Sm1 68.91(4) . .
C73_2 C74_2 Sm1 82.56(3) . .
C53_2 C74_2 Sm1 92.77(3) . .
C75_2 C74_2 Sm8 64.6(3) . .
C73_2 C74_2 Sm8 106.4(2) . .
C53_2 C74_2 Sm8 79.8(3) . .
C74_2 C75_2 C88_2 138.6 . .
C74_2 C75_2 C76_2 108.0 . .
C88_2 C75_2 C76_2 105.6 . .
C74_2 C75_2 Sm1 81.05(5) . .
C88_2 C75_2 Sm1 75.72(4) . .
C76_2 C75_2 Sm1 89.44(3) . .
C74_2 C75_2 Sm6 63.13(9) . .
C88_2 C75_2 Sm6 92.22(10) . .
C76_2 C75_2 Sm6 92.33(9) . .
C74_2 C75_2 Sm8 88.3(3) . .
C88_2 C75_2 Sm8 85.8(3) . .
C76_2 C75_2 Sm8 63.1(3) . .
C74_2 C75_2 Sm5 98.75(5) . .
C88_2 C75_2 Sm5 71.83(6) . .
C76_2 C75_2 Sm5 68.67(6) . .
C74_2 C75_2 Sm6 54.78(7) . 6_565
C88_2 C75_2 Sm6 96.52(8) . 6_565
C76_2 C75_2 Sm6 99.40(7) . 6_565
C55_2 C76_2 C75_2 125.4 . .
C55_2 C76_2 C77_2 114.5 . .
C75_2 C76_2 C77_2 106.7 . .
C55_2 C76_2 Sm8 73.6(3) . .
C75_2 C76_2 Sm8 82.5(3) . .
C77_2 C76_2 Sm8 77.4(3) . .
C55_2 C76_2 Sm5 85.92(6) . .
C75_2 C76_2 Sm5 80.18(7) . .
C77_2 C76_2 Sm5 65.27(6) . .
C55_2 C76_2 Sm7 58.9(2) . .
C75_2 C76_2 Sm7 104.2(2) . .
C77_2 C76_2 Sm7 73.2(2) . .
C55_2 C76_2 Sm1 90.51(3) . .
C75_2 C76_2 Sm1 59.11(3) . .
C77_2 C76_2 Sm1 84.25(4) . .
C55_2 C76_2 Sm6 81.27(8) . .
C75_2 C76_2 Sm6 57.53(7) . .
C77_2 C76_2 Sm6 99.21(8) . .
C89_2 C77_2 C78_2 117.0 . .
C89_2 C77_2 C76_2 103.7 . .
C78_2 C77_2 C76_2 130.4 . .
C89_2 C77_2 Sm5 75.05(7) . .
C78_2 C77_2 Sm5 84.33(7) . .
C76_2 C77_2 Sm5 79.86(7) . .
C89_2 C77_2 Sm8 86.2(3) . .
C78_2 C77_2 Sm8 89.2(3) . .
C76_2 C77_2 Sm8 65.5(3) . .
C89_2 C77_2 Sm7 104.7(2) . .
C78_2 C77_2 Sm7 70.1(2) . .
C76_2 C77_2 Sm7 73.3(2) . .
C86_2 C78_2 C79_2 121.5 . .
C86_2 C78_2 C77_2 123.1 . .
C79_2 C78_2 C77_2 105.8 . .
C86_2 C78_2 Sm7 96.7(2) . .
C79_2 C78_2 Sm7 62.8(2) . .
C77_2 C78_2 Sm7 77.5(3) . .
C86_2 C78_2 Sm5 84.69(6) . .
C79_2 C78_2 Sm5 91.35(6) . .
C77_2 C78_2 Sm5 63.27(5) . .
C86_2 C78_2 Sm3 86.15(4) . .
C79_2 C78_2 Sm3 57.06(3) . .
C77_2 C78_2 Sm3 95.75(4) . .
C86_2 C78_2 Sm8 97.3(3) . .
C79_2 C78_2 Sm8 79.9(3) . .
C77_2 C78_2 Sm8 60.1(2) . .
C78_2 C79_2 C56_2 124.7 . .
C78_2 C79_2 C59_2 120.7 . .
C56_2 C79_2 C59_2 105.0 . .
C78_2 C79_2 Sm7 84.2(3) . .
C56_2 C79_2 Sm7 65.1(3) . .
C59_2 C79_2 Sm7 90.0(3) . .
C78_2 C79_2 Sm3 93.13(5) . .
C56_2 C79_2 Sm3 75.35(4) . .
C59_2 C79_2 Sm3 68.31(5) . .
C78_2 C79_2 Sm8 72.3(3) . .
C56_2 C79_2 Sm8 66.1(3) . .
C59_2 C79_2 Sm8 106.0(2) . .
C90_2 C80_2 C70_2 118.1 . .
C90_2 C80_2 C81_2 107.3 . .
C70_2 C80_2 C81_2 123.0 . .
C67_2 C81_2 C82_2 120.6 . .
C67_2 C81_2 C80_2 129.2 . .
C82_2 C81_2 C80_2 101.1 . .
C83_2 C82_2 C87_2 128.1 . .
C83_2 C82_2 C81_2 113.4 . .
C87_2 C82_2 C81_2 111.1 . .
C82_2 C83_2 C84_2 111.1 . .
C82_2 C83_2 C65_2 126.3 . .
C84_2 C83_2 C65_2 112.5 . .
C83_2 C84_2 C85_2 128.8 . .
C83_2 C84_2 C62_2 127.2 . .
C85_2 C84_2 C62_2 94.0 . .
C86_2 C85_2 C84_2 114.3 . .
C86_2 C85_2 C60_2 124.9 . .
C84_2 C85_2 C60_2 115.0 . .
C86_2 C85_2 Sm3 83.25(5) . .
C84_2 C85_2 Sm3 100.37(3) . .
C60_2 C85_2 Sm3 65.16(4) . .
C85_2 C86_2 C78_2 118.2 . .
C85_2 C86_2 C87_2 121.6 . .
C78_2 C86_2 C87_2 112.9 . .
C85_2 C86_2 Sm5 102.99(4) . .
C78_2 C86_2 Sm5 68.14(5) . .
C87_2 C86_2 Sm5 71.32(6) . .
C90_2 C87_2 C82_2 107.6 . .
C90_2 C87_2 C86_2 128.7 . .
C82_2 C87_2 C86_2 115.0 . .
C90_2 C87_2 Sm5 69.64(6) . .
C82_2 C87_2 Sm5 94.19(5) . .
C86_2 C87_2 Sm5 79.73(6) . .
C89_2 C88_2 C75_2 110.9 . .
C89_2 C88_2 C71_2 127.8 . .
C75_2 C88_2 C71_2 111.3 . .
C89_2 C88_2 Sm1 90.14(4) . .
C75_2 C88_2 Sm1 70.38(4) . .
C71_2 C88_2 Sm1 76.61(3) . .
C89_2 C88_2 Sm5 65.50(6) . .
C75_2 C88_2 Sm5 78.14(6) . .
C71_2 C88_2 Sm5 95.06(6) . .
C89_2 C88_2 Sm8 72.8(3) . .
C75_2 C88_2 Sm8 64.2(3) . .
C71_2 C88_2 Sm8 100.0(2) . .
C89_2 C88_2 Sm6 100.86(7) . .
C75_2 C88_2 Sm6 58.25(8) . .
C71_2 C88_2 Sm6 77.14(8) . .
C88_2 C89_2 C90_2 114.8 . .
C88_2 C89_2 C77_2 113.0 . .
C90_2 C89_2 C77_2 122.2 . .
C88_2 C89_2 Sm5 84.84(7) . .
C90_2 C89_2 Sm5 81.98(6) . .
C77_2 C89_2 Sm5 71.82(7) . .
C88_2 C89_2 Sm8 79.5(2) . .
C90_2 C89_2 Sm8 95.7(3) . .
C77_2 C89_2 Sm8 63.4(2) . .
C88_2 C89_2 Sm1 61.40(3) . .
C90_2 C89_2 Sm1 89.77(3) . .
C77_2 C89_2 Sm1 85.91(3) . .
C87_2 C90_2 C89_2 115.7 . .
C87_2 C90_2 C80_2 112.3 . .
C89_2 C90_2 C80_2 123.3 . .
C87_2 C90_2 Sm5 81.98(6) . .
C89_2 C90_2 Sm5 67.54(5) . .
C80_2 C90_2 Sm5 91.75(6) . .
N3 Ni1 N1 178.45(9) . .
N3 Ni1 N2 90.01(4) . .
N1 Ni1 N2 89.96(4) . .
N3 Ni1 N2 90.00(4) . 6_565
N1 Ni1 N2 89.97(4) . 6_565
N2 Ni1 N2 177.87(9) . 6_565
C92 N1 C92 104.1(2) . 6_565
C92 N1 Ni1 127.92(10) . .
C92 N1 Ni1 127.93(10) 6_565 .
C94 N2 C97 104.15(16) . .
C94 N2 Ni1 128.01(12) . .
C97 N2 Ni1 127.83(12) . .
C99 N3 C99 104.2(2) 6_565 .
C99 N3 Ni1 127.85(10) 6_565 .
C99 N3 Ni1 127.85(10) . .
C91 C91 C92 106.40(11) 6_565 .
C91 C91 C101 128.41(11) 6_565 .
C92 C91 C101 125.12(17) . .
C93 C92 N1 125.28(16) . .
C93 C92 C91 123.19(17) . .
N1 C92 C91 111.52(17) . .
C92 C93 C94 123.86(17) . .
C92 C93 H93 118.1 . .
C94 C93 H93 118.1 . .
C93 C94 N2 124.93(17) . .
C93 C94 C95 123.49(17) . .
N2 C94 C95 111.58(16) . .
C96 C95 C94 106.31(16) . .
C96 C95 C103 128.90(18) . .
C94 C95 C103 124.79(17) . .
C95 C96 C97 106.34(16) . .
C95 C96 C105 129.06(18) . .
C97 C96 C105 124.59(17) . .
C98 C97 N2 124.88(17) . .
C98 C97 C96 123.50(17) . .
N2 C97 C96 111.61(16) . .
C99 C98 C97 124.19(17) . .
C99 C98 H98 117.9 . .
C97 C98 H98 117.9 . .
C98 C99 N3 125.20(16) . .
C98 C99 C100 123.29(17) . .
N3 C99 C100 111.49(17) . .
C100 C100 C99 106.39(11) 6_565 .
C100 C100 C107 128.65(11) 6_565 .
C99 C100 C107 124.73(17) . .
C91 C101 C102 112.81(16) . .
C91 C101 H10A 109.0 . .
C102 C101 H10A 109.0 . .
C91 C101 H10B 109.0 . .
C102 C101 H10B 109.0 . .
H10A C101 H10B 107.8 . .
C101 C102 H10C 109.5 . .
C101 C102 H10D 109.5 . .
H10C C102 H10D 109.5 . .
C101 C102 H10E 109.5 . .
H10C C102 H10E 109.5 . .
H10D C102 H10E 109.5 . .
C95 C103 C104 113.20(18) . .
C95 C103 H10F 108.9 . .
C104 C103 H10F 108.9 . .
C95 C103 H10G 108.9 . .
C104 C103 H10G 108.9 . .
H10F C103 H10G 107.8 . .
C103 C104 H10H 109.5 . .
C103 C104 H10I 109.5 . .
H10H C104 H10I 109.5 . .
C103 C104 H10J 109.5 . .
H10H C104 H10J 109.5 . .
H10I C104 H10J 109.5 . .
C96 C105 C106 113.11(18) . .
C96 C105 H10K 109.0 . .
C106 C105 H10K 109.0 . .
C96 C105 H10L 109.0 . .
C106 C105 H10L 109.0 . .
H10K C105 H10L 107.8 . .
C105 C106 H10M 109.5 . .
C105 C106 H10N 109.5 . .
H10M C106 H10N 109.5 . .
C105 C106 H10P 109.5 . .
H10M C106 H10P 109.5 . .
H10N C106 H10P 109.5 . .
C100 C107 C108 111.68(16) . .
C100 C107 H10Q 109.3 . .
C108 C107 H10Q 109.3 . .
C100 C107 H10R 109.3 . .
C108 C107 H10R 109.3 . .
H10Q C107 H10R 107.9 . .
C107 C108 H11A 109.5 . .
C107 C108 H11B 109.5 . .
H11A C108 H11B 109.5 . .
C107 C108 H11C 109.5 . .
H11A C108 H11C 109.5 . .
H11B C108 H11C 109.5 . .
C110 C109 C114 124(2) . .
C110 C109 Cl1 118(2) . .
C114 C109 Cl1 118.1(6) . .
C109 C110 C111 117(2) . .
C109 C110 H11D 121.5 . .
C111 C110 H11D 121.5 . .
C112 C111 C110 115.8(7) . .
C112 C111 H11F 122.1 . .
C110 C111 H11F 122.1 . .
C113 C112 C111 125.2(9) . .
C113 C112 H11G 117.4 . .
C111 C112 H11G 117.4 . .
C112 C113 C114 119.0(7) . .
C112 C113 H11H 120.5 . .
C114 C113 H11H 120.5 . .
C109 C114 C113 118.9(7) . .
C109 C114 H11I 120.5 . .
C113 C114 H11I 120.5 . .
C116 C115 C120 120.0 . .
C116 C115 Cl2 120.3 . .
C120 C115 Cl2 119.7 . .
C115 C116 C117 120.1 . .
C116 C117 C118 119.9 . .
C117 C118 C119 119.2 . .
C120 C119 C118 119.7 . .
C115 C120 C119 120.1 . .
C121 Cl3 H11L 124.3 . .
C126 C121 C122 119.9 . .
C126 C121 Cl3 119.9 . .
C122 C121 Cl3 120.2 . .
C121 C122 C123 119.8 . .
C123 C122 H12A 140.4 . .
C121 C122 H12B 119.9 . .
C123 C122 H12B 119.9 . .
C122 C123 C124 118.8 . .
C122 C123 H12C 120.1 . .
C124 C123 H12C 120.3 . .
C125 C124 C123 119.6 . .
C123 C124 H11E 127.1 . .
C125 C124 H12D 119.8 . .
C123 C124 H12D 120.2 . .
C124 C125 C126 120.2 . .
C124 C125 H11E 110.7 . .
C126 C125 H11E 121.7 . .
C124 C125 H12E 119.0 . .
C126 C125 H12E 119.5 . .
C121 C126 C125 120.1 . .
C121 C126 H11E 126.1 . .
C121 C126 H12F 119.9 . .
C125 C126 H12F 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 C37_1 2.314(7) 6_565
Sm1 C49_2 2.4027(11) 6_565
Sm1 C75_2 2.4702(12) .
Sm1 C38_1 2.470(9) 6_565
Sm1 C26_2 2.4985(15) 6_565
Sm1 C36_1 2.522(8) 6_565
Sm2 C3_2 2.3554(10) 6_565
Sm2 C36_2 2.3723(10) .
Sm2 C4_2 2.3767(10) 6_565
Sm2 C37_2 2.3970(10) .
Sm2 C50_1 2.466(17) .
Sm2 C26_1 2.490(8) .
Sm2 C89_1 2.490(6) 6_565
Sm2 C2_2 2.5151(12) 6_565
Sm2 C49_1 2.522(6) .
Sm3 C1_2 2.2685(15) 6_565
Sm3 C2_2 2.3055(17) 6_565
Sm3 C59_2 2.3298(16) .
Sm3 C78_1 2.405(10) 6_565
Sm3 C77_1 2.408(7) 6_565
Sm3 C28_1 2.413(7) .
Sm3 C79_2 2.4240(17) .
Sm3 C29_1 2.449(10) .
Sm4 C17_2 2.280(2) 6_565
Sm4 C17_2 2.280(2) .
Sm4 C38_2 2.4330(18) .
Sm4 C38_2 2.4330(18) 6_565
Sm4 C72_1 2.480(5) .
Sm4 C72_1 2.480(5) 6_565
Sm4 C18_2 2.5035(17) 6_565
Sm4 C18_2 2.5035(17) .
Sm5 C27_2 2.269(2) 6_565
Sm5 C2_1 2.362(17) .
Sm5 C26_2 2.383(2) 6_565
Sm5 C9_2 2.394(3) 6_565
Sm5 C61_1 2.400(10) 6_565
Sm5 C77_2 2.495(2) .
Sm6 C74_2 2.258(3) .
Sm6 C35_1 2.382(7) 6_565
Sm6 C36_1 2.425(9) 6_565
Sm6 C16_1 2.431(7) .
Sm7 C56_2 2.184(10) .
Sm7 C10_2 2.312(11) 6_565
Sm7 C79_1 2.314(11) 6_565
Sm7 C11_2 2.328(10) 6_565
Sm7 C55_2 2.335(11) .
Sm7 C79_2 2.345(11) .
Sm8 C27_2 2.367(12) 6_565
Sm8 C76_2 2.367(12) .
Sm8 C28_2 2.404(12) 6_565
Sm8 C55_2 2.404(13) .
Sm8 C59_1 2.423(16) 6_565
Sm8 C2_1 2.49(2) .
C1_1 C2_1 1.439(14) .
C1_1 C10_1 1.448(10) .
C1_1 C6_1 1.459(11) .
C2_1 C3_1 1.359(12) .
C2_1 C12_1 1.502(12) .
C3_1 C15_1 1.307(13) .
C3_1 C4_1 1.456(10) .
C4_1 C5_1 1.434(14) .
C4_1 C18_1 1.441(10) .
C5_1 C6_1 1.354(12) .
C5_1 C20_1 1.497(12) .
C6_1 C7_1 1.301(13) .
C7_1 C8_1 1.483(11) .
C7_1 C22_1 1.515(13) .
C8_1 C9_1 1.349(11) .
C8_1 C24_1 1.406(10) .
C9_1 C10_1 1.399(12) .
C9_1 C27_1 1.467(12) .
C10_1 C11_1 1.378(10) .
C11_1 C29_1 1.345(10) .
C11_1 C12_1 1.541(12) .
C12_1 C13_1 1.308(13) .
C13_1 C14_1 1.247(13) .
C13_1 C31_1 1.432(11) .
C14_1 C15_1 1.506(13) .
C14_1 C34_1 1.562(13) .
C15_1 C16_1 1.474(11) .
C16_1 C17_1 1.337(11) .
C16_1 C35_1 1.398(10) .
C16_1 Sm6 2.631(8) 6_565
C16_1 Sm1 3.057(7) 6_565
C17_1 C18_1 1.376(12) .
C17_1 C38_1 1.445(12) .
C17_1 Sm6 2.741(8) 6_565
C17_1 Sm1 2.845(7) 6_565
C18_1 C19_1 1.357(10) .
C19_1 C40_1 1.331(10) .
C19_1 C20_1 1.543(12) .
C20_1 C21_1 1.306(13) .
C21_1 C22_1 1.252(13) .
C21_1 C42_1 1.446(12) .
C22_1 C23_1 1.573(14) .
C23_1 C44_1 1.332(9) .
C23_1 C24_1 1.435(9) .
C24_1 C25_1 1.481(10) .
C25_1 C46_1 1.397(9) .
C25_1 C26_1 1.473(10) .
C26_1 C49_1 1.439(11) .
C26_1 C27_1 1.475(10) .
C27_1 C28_1 1.418(11) .
C28_1 C29_1 1.341(11) .
C28_1 C51_1 1.445(12) .
C29_1 C30_1 1.506(10) .
C29_1 C52_1 2.021(14) .
C30_1 C52_1 1.325(10) .
C30_1 C31_1 1.321(11) .
C31_1 C32_1 1.316(10) .
C32_1 C54_1 1.451(11) .
C32_1 C33_1 1.504(10) .
C33_1 C34_1 1.295(9) .
C33_1 C57_1 1.484(13) .
C33_1 Sm6 2.874(7) 6_565
C34_1 C35_1 1.415(9) .
C34_1 Sm6 2.643(7) 6_565
C35_1 C36_1 1.467(10) .
C35_1 Sm6 2.382(7) 6_565
C35_1 Sm1 2.841(6) 6_565
C36_1 C58_1 1.377(11) .
C36_1 C37_1 1.445(9) .
C36_1 Sm6 2.425(9) 6_565
C36_1 Sm1 2.522(8) 6_565
C36_1 Sm8 2.781(14) 6_565
C37_1 C61_1 1.422(11) .
C37_1 C38_1 1.452(11) .
C37_1 Sm1 2.314(7) 6_565
C37_1 Sm6 2.623(8) 6_565
C37_1 Sm5 2.774(8) 6_565
C37_1 Sm8 2.829(13) 6_565
C38_1 C39_1 1.386(11) .
C38_1 Sm1 2.470(9) 6_565
C38_1 Sm6 2.735(9) 6_565
C39_1 C40_1 1.318(11) .
C39_1 C63_1 1.437(13) .
C39_1 Sm1 2.656(8) 6_565
C40_1 C41_1 1.474(11) .
C40_1 C63_1 2.026(17) .
C41_1 C64_1 1.320(10) .
C41_1 C42_1 1.326(12) .
C42_1 C43_1 1.336(10) .
C43_1 C66_1 1.468(10) .
C43_1 C44_1 1.517(10) .
C44_1 C45_1 1.491(13) .
C45_1 C46_1 1.499(10) .
C45_1 C68_1 1.632(11) .
C46_1 C47_1 1.500(9) .
C47_1 C48_1 1.367(11) .
C47_1 C69_1 1.473(8) .
C48_1 C49_1 1.470(10) .
C48_1 C72_1 1.501(15) .
C49_1 C50_1 1.494(14) .
C50_1 C51_1 1.240(14) .
C50_1 C73_1 1.614(17) .
C51_1 C52_1 1.443(11) .
C52_1 C53_1 1.519(10) .
C53_1 C74_1 1.458(9) .
C53_1 C54_1 1.567(13) .
C54_1 C55_1 1.487(16) .
C55_1 C56_1 1.337(12) .
C55_1 C76_1 1.436(12) .
C55_1 Sm7 2.897(13) 6_565
C55_1 Sm3 3.011(7) 6_565
C56_1 C79_1 1.555(11) .
C56_1 C57_1 1.625(11) .
C56_1 Sm7 2.646(16) 6_565
C56_1 Sm8 2.998(17) 6_565
C57_1 C58_1 1.473(9) .
C57_1 Sm8 2.869(15) 6_565
C57_1 Sm6 2.931(6) 6_565
C58_1 C59_1 1.481(10) .
C58_1 Sm8 2.635(18) 6_565
C58_1 Sm6 2.840(14) 6_565
C58_1 Sm1 2.959(13) 6_565
C59_1 C60_1 1.364(12) .
C59_1 C79_1 1.453(9) .
C59_1 Sm8 2.423(16) 6_565
C59_1 Sm7 2.569(15) 6_565
C59_1 Sm5 2.709(11) 6_565
C60_1 C61_1 1.464(11) .
C60_1 C85_1 1.502(15) .
C60_1 Sm5 2.540(18) 6_565
C60_1 Sm8 2.62(2) 6_565
C60_1 Sm7 2.87(2) 6_565
C61_1 C62_1 1.484(13) .
C61_1 Sm5 2.400(10) 6_565
C61_1 Sm1 2.580(10) 6_565
C61_1 Sm8 2.659(16) 6_565
C62_1 C63_1 1.220(15) .
C62_1 C84_1 1.608(17) .
C62_1 Sm5 2.507(10) 6_565
C62_1 Sm1 2.955(12) 6_565
C63_1 C64_1 1.441(11) .
C63_1 Sm5 2.795(12) 6_565
C63_1 Sm1 2.879(12) 6_565
C64_1 C65_1 1.503(10) .
C65_1 C83_1 1.458(11) .
C65_1 C66_1 1.551(13) .
C66_1 C67_1 1.488(16) .
C67_1 C68_1 1.360(12) .
C67_1 C81_1 1.439(12) .
C68_1 C69_1 1.566(11) .
C69_1 C70_1 1.442(10) .
C70_1 C80_1 1.412(9) .
C70_1 C71_1 1.446(11) .
C70_1 Sm2 2.786(6) 6_565
C71_1 C88_1 1.380(13) .
C71_1 C72_1 1.385(16) .
C71_1 Sm2 2.682(7) 6_565
C72_1 C73_1 1.496(12) .
C73_1 C74_1 1.396(13) .
C74_1 C75_1 1.328(16) .
C75_1 C76_1 1.451(14) .
C75_1 C88_1 1.462(13) .
C75_1 Sm2 2.718(6) 6_565
C76_1 C77_1 1.558(14) .
C76_1 Sm3 2.822(17) 6_565
C76_1 Sm2 2.895(17) 6_565
C77_1 C78_1 1.412(9) .
C77_1 C89_1 1.432(10) .
C77_1 Sm3 2.408(7) 6_565
C77_1 Sm2 2.773(6) 6_565
C77_1 Sm7 2.783(13) 6_565
C78_1 C79_1 1.427(9) .
C78_1 C86_1 1.444(12) .
C78_1 Sm7 2.404(15) 6_565
C78_1 Sm3 2.405(10) 6_565
C79_1 Sm7 2.314(11) 6_565
C79_1 Sm8 2.731(13) 6_565
C79_1 Sm3 2.777(5) 6_565
C80_1 C90_1 1.444(10) .
C80_1 C81_1 1.560(14) .
C80_1 Sm2 2.783(8) 6_565
C81_1 C82_1 1.454(14) .
C82_1 C83_1 1.320(16) .
C82_1 C87_1 1.459(13) .
C83_1 C84_1 1.382(13) .
C84_1 C85_1 1.495(12) .
C84_1 Sm5 2.667(10) 6_565
C85_1 C86_1 1.386(15) .
C85_1 Sm5 2.549(12) 6_565
C85_1 Sm7 2.684(14) 6_565
C85_1 Sm8 2.831(17) 6_565
C85_1 Sm3 2.983(9) 6_565
C86_1 C87_1 1.385(13) .
C86_1 Sm3 2.471(11) 6_565
C86_1 Sm7 2.534(16) 6_565
C86_1 Sm5 3.036(14) 6_565
C87_1 C90_1 1.497(12) .
C87_1 Sm3 2.649(14) 6_565
C88_1 C89_1 1.511(11) .
C88_1 Sm2 2.570(16) 6_565
C89_1 C90_1 1.425(13) .
C89_1 Sm2 2.490(6) 6_565
C89_1 Sm3 2.631(7) 6_565
C90_1 Sm2 2.623(9) 6_565
C90_1 Sm3 2.709(9) 6_565
C1_2 C10_2 1.3889 .
C1_2 C2_2 1.3974 .
C1_2 C6_2 1.4273 .
C1_2 Sm3 2.2685(15) 6_565
C1_2 Sm7 2.639(11) 6_565
C1_2 Sm2 2.8787(13) 6_565
C2_2 C3_2 1.3931 .
C2_2 C12_2 1.5093 .
C2_2 Sm3 2.3054(17) 6_565
C2_2 Sm2 2.5151(12) 6_565
C2_2 Sm7 2.845(11) 6_565
C3_2 C15_2 1.2960 .
C3_2 C4_2 1.4268 .
C3_2 Sm2 2.3554(10) 6_565
C3_2 Sm3 2.793(2) 6_565
C4_2 C18_2 1.3883 .
C4_2 C5_2 1.3935 .
C4_2 Sm2 2.3767(10) 6_565
C4_2 Sm3 3.044(2) 6_565
C5_2 C6_2 1.3977 .
C5_2 C20_2 1.5048 .
C5_2 Sm2 2.5457(10) 6_565
C5_2 Sm3 2.837(2) 6_565
C6_2 C7_2 1.3037 .
C6_2 Sm3 2.5462(17) 6_565
C6_2 Sm2 2.8616(12) 6_565
C7_2 C22_2 1.3850 .
C7_2 C8_2 1.4514 .
C7_2 Sm3 2.8837(17) 6_565
C8_2 C24_2 1.3783 .
C8_2 C9_2 1.4065 .
C8_2 Sm5 2.597(3) 6_565
C8_2 Sm7 2.955(11) 6_565
C8_2 Sm3 3.0476(19) 6_565
C9_2 C27_2 1.4309 .
C9_2 C10_2 1.4559 .
C9_2 Sm5 2.394(3) 6_565
C9_2 Sm7 2.513(11) 6_565
C9_2 Sm8 2.619(13) 6_565
C9_2 Sm3 2.896(2) 6_565
C10_2 C11_2 1.3354 .
C10_2 Sm7 2.312(11) 6_565
C10_2 Sm3 2.4584(19) 6_565
C10_2 Sm8 2.896(12) 6_565
C10_2 Sm5 2.949(3) 6_565
C11_2 C29_2 1.3174 .
C11_2 C12_2 1.5470 .
C11_2 Sm7 2.328(10) 6_565
C11_2 Sm3 2.6469(19) 6_565
C11_2 Sm8 2.890(12) 6_565
C12_2 C13_2 1.3766 .
C12_2 Sm3 2.5618(16) 6_565
C12_2 Sm7 2.664(10) 6_565
C13_2 C14_2 1.3081 .
C13_2 C31_2 1.4492 .
C13_2 Sm3 2.9243(17) 6_565
C13_2 Sm7 3.012(10) 6_565
C14_2 C15_2 1.3756 .
C14_2 C34_2 1.6641 .
C14_2 Sm2 2.8867(11) 6_565
C15_2 C16_2 1.4457 .
C15_2 Sm2 2.5953(11) 6_565
C16_2 C35_2 1.3690 .
C16_2 C17_2 1.3953 .
C16_2 Sm2 2.9311(12) 6_565
C17_2 C38_2 1.4208 .
C17_2 C18_2 1.4428 .
C17_2 Sm2 2.9665(14) 6_565
C18_2 C19_2 1.3243 .
C18_2 Sm2 2.6627(13) 6_565
C19_2 C40_2 1.3149 .
C19_2 C20_2 1.5472 .
C19_2 Sm2 3.0072(14) 6_565
C20_2 C21_2 1.3751 .
C20_2 Sm2 2.8569(12) 6_565
C21_2 C22_2 1.3060 .
C21_2 C42_2 1.4506 .
C22_2 C23_2 1.6740 .
C23_2 C44_2 1.2580 .
C23_2 C24_2 1.4921 .
C24_2 C25_2 1.4606 .
C24_2 Sm5 2.633(3) 6_565
C25_2 C46_2 1.4626 .
C25_2 C26_2 1.5080 .
C25_2 Sm5 2.552(3) 6_565
C25_2 Sm1 2.8602(19) 6_565
C26_2 C49_2 1.4162 .
C26_2 C27_2 1.4651 .
C26_2 Sm5 2.383(2) 6_565
C26_2 Sm1 2.4985(15) 6_565
C26_2 Sm8 2.716(13) 6_565
C27_2 C28_2 1.4857 .
C27_2 Sm5 2.269(2) 6_565
C27_2 Sm8 2.367(12) 6_565
C27_2 Sm7 2.753(11) 6_565
C27_2 Sm1 2.7799(15) 6_565
C28_2 C51_2 1.3822 .
C28_2 C29_2 1.3911 .
C28_2 Sm8 2.404(12) 6_565
C28_2 Sm5 2.722(2) 6_565
C28_2 Sm7 2.748(11) 6_565
C28_2 Sm1 2.9283(13) 6_565
C28_2 Sm6 3.059(4) 6_565
C29_2 C30_2 1.5164 .
C29_2 Sm7 2.515(11) 6_565
C29_2 Sm8 2.648(13) 6_565
C30_2 C52_2 1.2800 .
C30_2 C31_2 1.3632 .
C30_2 Sm7 2.873(11) 6_565
C30_2 Sm8 2.952(14) 6_565
C31_2 C32_2 1.2682 .
C31_2 Sm7 3.041(10) 6_565
C32_2 C54_2 1.4133 .
C32_2 C33_2 1.5148 .
C33_2 C34_2 1.2392 .
C33_2 C57_2 1.4736 .
C34_2 C35_2 1.4791 .
C35_2 C36_2 1.4527 .
C36_2 C58_2 1.4525 .
C36_2 C37_2 1.4970 .
C37_2 C61_2 1.4141 .
C37_2 C38_2 1.4611 .
C38_2 C39_2 1.4723 .
C39_2 C63_2 1.3801 .
C39_2 C40_2 1.3827 .
C40_2 C41_2 1.5052 .
C41_2 C64_2 1.2804 .
C41_2 C42_2 1.3628 .
C42_2 C43_2 1.2771 .
C43_2 C66_2 1.4203 .
C43_2 C44_2 1.5218 .
C44_2 C45_2 1.4816 .
C45_2 C46_2 1.4399 .
C45_2 C68_2 1.6848 .
C46_2 C47_2 1.4263 .
C46_2 Sm1 3.0568(17) 6_565
C47_2 C48_2 1.3926 .
C47_2 C69_2 1.5048 .
C47_2 Sm1 2.9936(13) 6_565
C48_2 C49_2 1.4411 .
C48_2 C72_2 1.5282 .
C48_2 Sm1 2.6861(12) 6_565
C48_2 Sm6 2.961(4) 6_565
C49_2 C50_2 1.5994 .
C49_2 Sm1 2.4027(11) 6_565
C49_2 Sm6 2.752(3) 6_565
C49_2 Sm5 2.905(3) 6_565
C49_2 Sm8 3.029(12) 6_565
C50_2 C51_2 1.3086 .
C50_2 C73_2 1.5110 .
C50_2 Sm6 2.481(3) 6_565
C50_2 Sm1 2.5916(13) 6_565
C50_2 Sm8 3.057(12) 6_565
C51_2 C52_2 1.5032 .
C51_2 Sm6 2.630(4) 6_565
C51_2 Sm8 2.706(12) 6_565
C51_2 Sm1 2.7772(13) 6_565
C52_2 C53_2 1.5322 .
C52_2 Sm6 2.730(4) 6_565
C52_2 Sm8 2.868(14) 6_565
C53_2 C54_2 1.4433 .
C53_2 C74_2 1.5466 .
C53_2 Sm6 2.592(4) 6_565
C54_2 C55_2 1.5057 .
C55_2 C56_2 1.4005 .
C55_2 C76_2 1.4587 .
C56_2 C79_2 1.4820 .
C56_2 C57_2 1.6767 .
C57_2 C58_2 1.4200 .
C58_2 C59_2 1.4060 .
C59_2 C60_2 1.3857 .
C59_2 C79_2 1.4911 .
C60_2 C61_2 1.4397 .
C60_2 C85_2 1.5272 .
C61_2 C62_2 1.5990 .
C62_2 C63_2 1.3035 .
C62_2 C84_2 1.5095 .
C63_2 C64_2 1.5062 .
C64_2 C65_2 1.5262 .
C65_2 C66_2 1.4342 .
C65_2 C83_2 1.5452 .
C66_2 C67_2 1.5065 .
C67_2 C68_2 1.4124 .
C67_2 C81_2 1.4595 .
C68_2 C69_2 1.4900 .
C69_2 C70_2 1.4447 .
C70_2 C71_2 1.3731 .
C70_2 C80_2 1.4985 .
C71_2 C72_2 1.3489 .
C71_2 C88_2 1.4678 .
C72_2 C73_2 1.4849 .
C72_2 Sm6 2.882(4) 6_565
C72_2 Sm1 3.0117(14) 6_565
C73_2 C74_2 1.3794 .
C73_2 Sm6 2.495(3) 6_565
C73_2 Sm1 2.8746(16) 6_565
C74_2 C75_2 1.3253 .
C74_2 Sm6 2.533(4) 6_565
C75_2 C88_2 1.4624 .
C75_2 C76_2 1.5015 .
C75_2 Sm6 3.054(4) 6_565
C76_2 C77_2 1.5703 .
C77_2 C89_2 1.4350 .
C77_2 C78_2 1.4966 .
C78_2 C86_2 1.3680 .
C78_2 C79_2 1.4361 .
C80_2 C90_2 1.4421 .
C80_2 C81_2 1.5650 .
C81_2 C82_2 1.5017 .
C82_2 C83_2 1.3237 .
C82_2 C87_2 1.4603 .
C83_2 C84_2 1.3743 .
C84_2 C85_2 1.4836 .
C85_2 C86_2 1.3475 .
C86_2 C87_2 1.4667 .
C87_2 C90_2 1.3783 .
C88_2 C89_2 1.3795 .
C89_2 C90_2 1.3925 .
Ni1 N3 1.958(2) .
Ni1 N1 1.958(2) .
Ni1 N2 1.9636(17) .
Ni1 N2 1.9636(17) 6_565
N1 C92 1.381(2) .
N1 C92 1.381(2) 6_565
N2 C94 1.381(2) .
N2 C97 1.382(2) .
N3 C99 1.380(2) 6_565
N3 C99 1.380(2) .
C91 C91 1.361(4) 6_565
C91 C92 1.447(2) .
C91 C101 1.500(3) .
C92 C93 1.377(3) .
C93 C94 1.380(2) .
C93 H93 0.9500 .
C94 C95 1.448(3) .
C95 C96 1.366(3) .
C95 C103 1.499(3) .
C96 C97 1.447(3) .
C96 C105 1.501(3) .
C97 C98 1.376(2) .
C98 C99 1.372(3) .
C98 H98 0.9500 .
C99 C100 1.454(2) .
C100 C100 1.358(4) 6_565
C100 C107 1.498(3) .
C101 C102 1.536(3) .
C101 H10A 0.9900 .
C101 H10B 0.9900 .
C102 H10C 0.9800 .
C102 H10D 0.9800 .
C102 H10E 0.9800 .
C103 C104 1.531(3) .
C103 H10F 0.9900 .
C103 H10G 0.9900 .
C104 H10H 0.9800 .
C104 H10I 0.9800 .
C104 H10J 0.9800 .
C105 C106 1.537(3) .
C105 H10K 0.9900 .
C105 H10L 0.9900 .
C106 H10M 0.9800 .
C106 H10N 0.9800 .
C106 H10P 0.9800 .
C107 C108 1.534(3) .
C107 H10Q 0.9900 .
C107 H10R 0.9900 .
C108 H11A 0.9800 .
C108 H11B 0.9800 .
C108 H11C 0.9800 .
Cl1 C109 1.753(8) .
C109 C110 1.32(3) .
C109 C114 1.381(9) .
C110 C111 1.55(6) .
C110 H11D 0.9500 .
C111 C112 1.346(12) .
C111 H11F 0.9500 .
C112 C113 1.342(10) .
C112 H11G 0.9500 .
C113 C114 1.418(11) .
C113 H11H 0.9500 .
C114 H11I 0.9500 .
Cl2 C115 1.7078 .
C115 C116 1.3866 .
C115 C120 1.3876 .
C116 C117 1.3890 .
C116 H11E 0.9587 .
C117 C118 1.3906 .
C117 H11J 0.9612 .
C118 C119 1.3981 .
C118 H11K 0.9600 .
C119 C120 1.3878 .
C119 H11L 0.9590 .
C120 H12A 0.9585 .
C120 H12B 1.0992 .
C121 C126 1.3837 .
C121 C122 1.3851 .
C122 C123 1.3970 .
C122 H12B 0.9548 .
C123 C124 1.3990 .
C123 H12C 0.9597 .
C124 C125 1.3800 .
C124 H12D 0.9613 .
C125 C126 1.3877 .
C125 H12E 0.9785 .
C126 H12F 0.9591 .
