#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/12/7101237.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_7101237
loop_
_publ_author_name
'A. L. Balch'
'Claudia M. Cardona'
'Christopher J. Chancellor'
'Luis Echegoyen'
'Bevan Elliott'
'Marylin Olmstead'
'Jose Rivera'
_publ_section_title
;
X-ray Crystallographic and EPR Spectroscopic
Characterization of a Pyrrolidine Adduct of Y3N@C80
;
_journal_issue                   25
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b604011j
_journal_year                    2006
_chemical_formula_moiety         'Y3N@C80(CH2N(CH2CH3)CH2) . 2.5 CS2'
_chemical_formula_sum            'C86.5 H9 N2 S5 Y3'
_chemical_formula_weight         1502.99
_chemical_name_common
'Y3N@N-ethyl-3,4-fullero[80]pyrrolidine (5,6 isomer)'
_chemical_name_systematic
;
?
;
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.949(2)
_cell_length_b                   14.949(2)
_cell_length_c                   41.966(8)
_cell_measurement_reflns_used    7050
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.1
_cell_volume                     9378(3)
_computing_cell_refinement       SAINT
_computing_data_collection       APEX2
_computing_data_reduction        SAINT
_computing_molecular_graphics
'XP, SHELXTL 5.1(Sheldrick, 1994), ORTEP-3 for Windows(Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  APEXII
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1043
_diffrn_reflns_av_sigmaI/netI    0.0678
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_number            98411
_diffrn_reflns_theta_full        29.75
_diffrn_reflns_theta_max         29.75
_diffrn_reflns_theta_min         1.67
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.975
_exptl_absorpt_correction_T_max  0.7766
_exptl_absorpt_correction_T_min  0.3919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    2.129
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             5912
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.879
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.154
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.014(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.810
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     928
_refine_ls_number_reflns         13176
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.810
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.163
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0854P)²+79.5222P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1412
_refine_ls_wR_factor_ref         0.1507
_reflns_number_gt                10805
_reflns_number_total             13176
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b604011j.txt
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C86.50 H9 N2 S5 Y3'
_cod_database_code               7101237
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+1/4'
'y+1/2, -x+1/2, z+3/4'
'-x+1/2, y+1/2, -z+1/4'
'x+1/2, -y+1/2, -z+3/4'
'y, x, -z'
'-y, -x, -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
Y1 Y 0.09614(4) 0.49914(4) 0.232738(13) 0.01432(12) Uani 0.8855(17) 1 d P A 1
Y2 Y 0.11056(4) 0.26510(4) 0.237030(14) 0.01420(12) Uani 0.8855(17) 1 d P A 1
Y3 Y 0.14112(4) 0.37578(4) 0.162619(13) 0.01758(13) Uani 0.8855(17) 1 d P A 1
Y4 Y 0.0890(9) 0.3527(11) 0.2565(3) 0.052(4) Uani 0.0717(19) 1 d P A 2
Y5 Y 0.2437(7) 0.3412(10) 0.1951(3) 0.050(4) Uani 0.0717(19) 1 d P A 2
Y6 Y 0.0331(9) 0.4510(9) 0.1830(4) 0.056(4) Uani 0.0717(19) 1 d P A 2
Y7 Y 0.1522(12) 0.3432(11) 0.2573(3) 0.028(4) Uani 0.0428(17) 1 d P A 3
Y8 Y 0.2070(13) 0.4443(12) 0.1841(4) 0.040(5) Uani 0.0428(17) 1 d P A 3
Y9 Y -0.0085(10) 0.3466(11) 0.1977(4) 0.028(4) Uani 0.0428(17) 1 d P A 3
N1 N 0.1250(4) 0.3793(3) 0.21043(10) 0.0240(11) Uani 1 1 d . . .
N2 N -0.1371(3) 0.3873(3) 0.33757(11) 0.0200(9) Uani 1 1 d . A .
C1 C -0.0750(4) 0.4383(4) 0.28891(13) 0.0177(11) Uani 1 1 d . A .
C2 C 0.0208(4) 0.4707(4) 0.29512(12) 0.0159(10) Uani 1 1 d . . .
C3 C 0.0770(4) 0.3956(4) 0.30328(12) 0.0190(11) Uani 1 1 d . A .
C4 C 0.0295(4) 0.3111(4) 0.29887(13) 0.0193(11) Uani 1 1 d . . .
C5 C -0.0660(4) 0.3282(4) 0.29118(13) 0.0193(11) Uani 1 1 d . A .
C6 C -0.0886(4) 0.2775(4) 0.26122(14) 0.0204(12) Uani 1 1 d . . .
C7 C -0.1329(4) 0.3181(4) 0.23675(15) 0.0234(13) Uani 1 1 d . A .
C8 C -0.1393(4) 0.4170(4) 0.23425(15) 0.0216(12) Uani 1 1 d . . .
C9 C -0.1009(4) 0.4737(4) 0.25654(13) 0.0209(12) Uani 1 1 d . A .
C10 C -0.0634(4) 0.5581(4) 0.24571(14) 0.0207(11) Uani 1 1 d . . .
C11 C 0.0091(4) 0.6067(4) 0.26075(13) 0.0226(12) Uani 1 1 d . A .
C12 C 0.0576(4) 0.5550(4) 0.28530(13) 0.0216(12) Uani 1 1 d . A .
C13 C 0.1540(4) 0.5620(4) 0.28377(14) 0.0234(12) Uani 1 1 d . . .
C14 C 0.2097(4) 0.4838(4) 0.29274(12) 0.0230(13) Uani 1 1 d . A .
C15 C 0.1715(4) 0.4020(4) 0.30249(13) 0.0225(12) Uani 1 1 d . . .
C16 C 0.2200(5) 0.3204(5) 0.29687(14) 0.0256(13) Uani 1 1 d . A .
C17 C 0.1751(4) 0.2361(4) 0.29199(14) 0.0241(12) Uani 1 1 d . . .
C18 C 0.0789(4) 0.2295(4) 0.29289(13) 0.0227(12) Uani 1 1 d . A .
C19 C 0.0358(4) 0.1632(4) 0.27165(15) 0.0229(12) Uani 1 1 d . . .
C20 C -0.0406(5) 0.1945(4) 0.25510(14) 0.0228(12) Uani 1 1 d . A .
C21 C -0.0388(4) 0.1618(4) 0.22267(14) 0.0230(13) Uani 1 1 d . . .
C22 C -0.0835(4) 0.2058(4) 0.19775(14) 0.0250(13) Uani 1 1 d . A .
C23 C -0.1324(4) 0.2835(5) 0.20559(14) 0.0259(13) Uani 1 1 d . . .
C24 C -0.1393(4) 0.3566(5) 0.18327(16) 0.0291(14) Uani 1 1 d . A .
C25 C -0.1426(4) 0.4393(5) 0.20110(15) 0.0252(13) Uani 1 1 d . A .
C26 C -0.1039(4) 0.5176(4) 0.18985(14) 0.0247(13) Uani 1 1 d . . .
C27 C -0.0651(4) 0.5766(4) 0.21255(14) 0.0222(12) Uani 1 1 d . A .
C28 C 0.0103(5) 0.6340(4) 0.20551(15) 0.0284(14) Uani 1 1 d . . .
C29 C 0.0574(4) 0.6531(4) 0.23508(16) 0.0265(13) Uani 1 1 d . A .
C30 C 0.1549(5) 0.6530(4) 0.23318(17) 0.0295(14) Uani 1 1 d . . .
C31 C 0.2030(4) 0.6087(4) 0.25888(14) 0.0241(12) Uani 1 1 d . A .
C32 C 0.2839(4) 0.5590(4) 0.25352(15) 0.0245(13) Uani 1 1 d . . .
C33 C 0.2890(4) 0.4850(5) 0.27484(14) 0.0248(13) Uani 1 1 d . A .
C34 C 0.3361(4) 0.4043(5) 0.26652(14) 0.0261(13) Uani 1 1 d . . .
C35 C 0.3001(4) 0.3208(5) 0.27900(16) 0.0315(15) Uani 1 1 d . A .
C36 C 0.3055(4) 0.2414(4) 0.26162(16) 0.0267(14) Uani 1 1 d . . .
C37 C 0.2298(5) 0.1846(4) 0.26957(16) 0.0273(13) Uani 1 1 d . A .
C38 C 0.1892(5) 0.1254(4) 0.24657(15) 0.0281(14) Uani 1 1 d . . .
C39 C 0.0912(5) 0.1121(4) 0.24837(15) 0.0277(13) Uani 1 1 d . A .
C40 C 0.0432(5) 0.1116(4) 0.21900(15) 0.0268(13) Uani 1 1 d . A .
C41 C 0.1975(5) 0.6430(4) 0.20208(16) 0.0274(14) Uani 1 1 d . A .
C42 C 0.2817(4) 0.5978(4) 0.19782(15) 0.0256(13) Uani 1 1 d . . .
C43 C 0.3250(4) 0.5542(4) 0.22204(16) 0.0267(14) Uani 1 1 d . A .
C44 C 0.3756(4) 0.4749(5) 0.21517(16) 0.0282(14) Uani 1 1 d . . .
C45 C 0.3807(4) 0.4029(5) 0.23687(16) 0.0284(13) Uani 1 1 d . A .
C46 C 0.3857(4) 0.3194(5) 0.21925(16) 0.0278(13) Uani 1 1 d . . .
C47 C 0.3461(4) 0.2406(5) 0.23060(15) 0.0276(14) Uani 1 1 d . A .
C48 C 0.3080(4) 0.1803(4) 0.20812(15) 0.0249(13) Uani 1 1 d . . .
C49 C 0.2294(5) 0.1276(4) 0.21571(16) 0.0295(14) Uani 1 1 d . A .
C50 C 0.1792(5) 0.1193(4) 0.18698(16) 0.0269(13) Uani 1 1 d . . .
C51 C 0.0853(5) 0.1145(4) 0.18762(16) 0.0298(14) Uani 1 1 d . A .
C52 C 0.0375(5) 0.1556(4) 0.16229(15) 0.0260(13) Uani 1 1 d . . .
C53 C -0.0452(5) 0.2004(5) 0.16668(15) 0.0274(14) Uani 1 1 d . A .
C54 C -0.0511(4) 0.2719(5) 0.14474(14) 0.0276(14) Uani 1 1 d . . .
C55 C -0.0968(4) 0.3545(5) 0.15316(14) 0.0303(15) Uani 1 1 d . A .
C56 C -0.0608(4) 0.4344(5) 0.14021(14) 0.0282(14) Uani 1 1 d . . .
C57 C -0.0649(4) 0.5167(5) 0.15822(15) 0.0258(13) Uani 1 1 d . A .
C58 C 0.0120(4) 0.5691(5) 0.15140(15) 0.0278(14) Uani 1 1 d . . .
C59 C 0.0530(4) 0.6253(4) 0.17473(15) 0.0252(13) Uani 1 1 d . A .
C60 C 0.1472(5) 0.6332(4) 0.17349(15) 0.0262(13) Uani 1 1 d . . .
C61 C 0.1991(5) 0.5816(4) 0.15094(15) 0.0268(13) Uani 1 1 d . A .
C62 C 0.2829(4) 0.5609(4) 0.16590(15) 0.0229(12) Uani 1 1 d . A .
C63 C 0.3281(4) 0.4804(4) 0.15913(15) 0.0240(13) Uani 1 1 d . . .
C64 C 0.3763(4) 0.4400(4) 0.18336(14) 0.0222(12) Uani 1 1 d . A .
C65 C 0.3828(4) 0.3431(5) 0.18608(16) 0.0284(14) Uani 1 1 d . A .
C66 C 0.3404(4) 0.2854(4) 0.16371(15) 0.0237(12) Uani 1 1 d . . .
C67 C 0.3047(4) 0.2049(4) 0.17479(16) 0.0258(13) Uani 1 1 d . A .
C68 C 0.2260(4) 0.1670(4) 0.16185(15) 0.0249(13) Uani 1 1 d . A .
C69 C 0.1794(5) 0.2094(4) 0.13598(15) 0.0254(13) Uani 1 1 d . . .
C70 C 0.0855(5) 0.2028(4) 0.13703(15) 0.0270(14) Uani 1 1 d . A .
C71 C 0.0290(5) 0.2745(5) 0.12547(13) 0.0274(14) Uani 1 1 d . A .
C72 C 0.0670(5) 0.3566(5) 0.11226(14) 0.0287(14) Uani 1 1 d . . .
C73 C 0.0183(4) 0.4361(5) 0.12119(13) 0.0271(14) Uani 1 1 d . A .
C74 C 0.0655(4) 0.5201(4) 0.12809(14) 0.0252(13) Uani 1 1 d . A .
C75 C 0.1589(5) 0.5236(4) 0.12756(15) 0.0261(13) Uani 1 1 d . . .
C76 C 0.2097(4) 0.4457(4) 0.11700(13) 0.0212(12) Uani 1 1 d . A .
C77 C 0.2894(4) 0.4237(4) 0.13425(14) 0.0219(12) Uani 1 1 d . A .
C78 C 0.2954(4) 0.3276(4) 0.13659(14) 0.0235(12) Uani 1 1 d . A .
C79 C 0.2195(4) 0.2889(4) 0.12169(15) 0.0245(13) Uani 1 1 d . A .
C80 C 0.1632(4) 0.3615(5) 0.10833(13) 0.0265(14) Uani 1 1 d . A .
C81 C -0.1425(4) 0.4599(4) 0.31520(14) 0.0208(11) Uani 1 1 d . . .
H81A H -0.1273 0.5172 0.3257 0.025 Uiso 1 1 calc R A .
H81B H -0.2036 0.4645 0.3063 0.025 Uiso 1 1 calc R . .
C82 C -0.1351(4) 0.3065(4) 0.31811(14) 0.0208(12) Uani 1 1 d . . .
H82A H -0.1949 0.2938 0.3090 0.025 Uiso 1 1 calc R A .
H82B H -0.1155 0.2543 0.3308 0.025 Uiso 1 1 calc R . .
C83 C -0.2142(4) 0.3869(4) 0.35953(13) 0.0221(11) Uani 1 1 d . . .
H83A H -0.2700 0.3812 0.3470 0.027 Uiso 1 1 calc R A .
H83B H -0.2164 0.4448 0.3710 0.027 Uiso 1 1 calc R . .
C84 C -0.2097(4) 0.3106(5) 0.38395(14) 0.0263(13) Uani 1 1 d . A .
H84A H -0.2600 0.3158 0.3988 0.040 Uiso 1 1 calc R . .
H84B H -0.1533 0.3144 0.3958 0.040 Uiso 1 1 calc R . .
H84C H -0.2129 0.2530 0.3729 0.040 Uiso 1 1 calc R . .
C85 C -0.3680(5) 0.5209(5) 0.14205(16) 0.0330(15) Uani 1 1 d . . .
S1 S -0.44110(14) 0.57710(14) 0.15823(4) 0.0385(4) Uani 1 1 d . . .
S2 S -0.29425(14) 0.46215(15) 0.12668(5) 0.0412(5) Uani 1 1 d . . .
C86 C 0.0840(5) 0.8812(4) 0.18662(16) 0.0278(13) Uani 1 1 d . . .
S4 S -0.00048(12) 0.88177(15) 0.16516(5) 0.0408(4) Uani 1 1 d . . .
S5 S 0.16907(13) 0.88285(12) 0.20752(4) 0.0323(4) Uani 1 1 d . . .
C87 C -0.3852(5) 0.3852(5) 0.2500 0.0313(19) Uani 1 2 d S . .
S6 S -0.37272(13) 0.39875(15) 0.21396(4) 0.0403(4) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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
N1 Y1 C29 155.4(2) .
N1 Y1 C11 157.5(2) .
C29 Y1 C11 36.0(2) .
N1 Y1 C12 139.39(19) .
C29 Y1 C12 64.6(2) .
C11 Y1 C12 35.8(2) .
N1 Y1 C30 137.6(2) .
C29 Y1 C30 35.1(2) .
C11 Y1 C30 63.9(2) .
C12 Y1 C30 75.9(2) .
N1 Y1 C13 130.0(2) .
C29 Y1 C13 71.6(2) .
C11 Y1 C13 60.7(2) .
C12 Y1 C13 34.1(2) .
C30 Y1 C13 61.2(2) .
N1 Y1 C31 128.6(2) .
C29 Y1 C31 60.7(2) .
C11 Y1 C31 72.2(2) .
C12 Y1 C31 62.2(2) .
C30 Y1 C31 33.8(2) .
C13 Y1 C31 33.59(19) .
N1 Y1 C10 125.5(2) .
C29 Y1 C10 55.9(2) .
C11 Y1 C10 33.5(2) .
C12 Y1 C10 58.4(2) .
C30 Y1 C10 90.5(2) .
C13 Y1 C10 90.6(2) .
C31 Y1 C10 105.6(2) .
N1 Y1 C28 124.4(2) .
C29 Y1 C28 33.1(2) .
C11 Y1 C28 55.52(19) .
C12 Y1 C28 90.9(2) .
C30 Y1 C28 57.7(2) .
C13 Y1 C28 104.6(2) .
C31 Y1 C28 90.0(2) .
C10 Y1 C28 52.28(19) .
N1 Y1 C27 113.6(2) .
C29 Y1 C27 53.4(2) .
C11 Y1 C27 53.2(2) .
C12 Y1 C27 85.9(2) .
C30 Y1 C27 85.6(2) .
C13 Y1 C27 113.7(2) .
C31 Y1 C27 113.9(2) .
C10 Y1 C27 30.14(17) .
C28 Y1 C27 30.6(2) .
N1 Y1 C2 111.42(17) .
C29 Y1 C2 90.57(19) .
C11 Y1 C2 55.74(17) .
C12 Y1 C2 29.85(18) .
C30 Y1 C2 105.69(19) .
C13 Y1 C2 53.90(18) .
C31 Y1 C2 87.05(17) .
C10 Y1 C2 60.09(17) .
C28 Y1 C2 108.36(17) .
C27 Y1 C2 89.97(16) .
N1 Y1 C41 109.24(19) .
C29 Y1 C41 55.4(2) .
C11 Y1 C41 90.21(19) .
C12 Y1 C41 105.6(2) .
C30 Y1 C41 29.8(2) .
C13 Y1 C41 85.46(19) .
C31 Y1 C41 52.41(19) .
C10 Y1 C41 108.53(19) .
C28 Y1 C41 60.1(2) .
C27 Y1 C41 90.52(19) .
C2 Y1 C41 135.21(17) .
N1 Y2 C39 158.7(2) .
N1 Y2 C19 156.0(2) .
C39 Y2 C19 36.7(2) .
N1 Y2 C38 138.9(2) .
C39 Y2 C38 36.0(2) .
C19 Y2 C38 65.0(2) .
N1 Y2 C18 136.21(19) .
C39 Y2 C18 64.6(2) .
C19 Y2 C18 35.7(2) .
C38 Y2 C18 75.5(2) .
N1 Y2 C17 126.6(2) .
C39 Y2 C17 72.4(2) .
C19 Y2 C17 61.0(2) .
C38 Y2 C17 61.3(2) .
C18 Y2 C17 33.5(2) .
N1 Y2 C37 127.7(2) .
C39 Y2 C37 61.2(2) .
C19 Y2 C37 72.5(2) .
C38 Y2 C37 33.6(2) .
C18 Y2 C37 61.3(2) .
C17 Y2 C37 33.5(2) .
N1 Y2 C20 125.9(2) .
C39 Y2 C20 56.0(2) .
C19 Y2 C20 32.6(2) .
C38 Y2 C20 91.4(2) .
C18 Y2 C20 57.8(2) .
C17 Y2 C20 89.8(2) .
C37 Y2 C20 105.0(2) .
N1 Y2 C40 127.8(2) .
C39 Y2 C40 32.8(2) .
C19 Y2 C40 55.6(2) .
C38 Y2 C40 58.7(2) .
C18 Y2 C40 90.7(2) .
C17 Y2 C40 105.0(2) .
C37 Y2 C40 90.6(2) .
C20 Y2 C40 52.83(19) .
N1 Y2 C21 115.4(2) .
C39 Y2 C21 53.5(2) .
C19 Y2 C21 53.2(2) .
C38 Y2 C21 86.9(2) .
C18 Y2 C21 86.1(2) .
C17 Y2 C21 114.0(2) .
C37 Y2 C21 114.6(2) .
C20 Y2 C21 30.94(17) .
C40 Y2 C21 30.9(2) .
N1 Y2 C49 111.25(19) .
C39 Y2 C49 56.0(2) .
C19 Y2 C49 91.3(2) .
C38 Y2 C49 29.93(19) .
C18 Y2 C49 105.2(2) .
C17 Y2 C49 85.7(2) .
C37 Y2 C49 52.7(2) .
C20 Y2 C49 109.8(2) .
C40 Y2 C49 61.2(2) .
C21 Y2 C49 91.8(2) .
N1 Y2 C4 109.17(17) .
C39 Y2 C4 89.90(19) .
C19 Y2 C4 54.52(19) .
C38 Y2 C4 104.76(18) .
C18 Y2 C4 29.35(18) .
C17 Y2 C4 52.81(18) .
C37 Y2 C4 85.77(19) .
C20 Y2 C4 58.77(17) .
C40 Y2 C4 107.53(18) .
C21 Y2 C4 89.45(17) .
C49 Y2 C4 134.35(17) .
N1 Y3 C80 175.9(2) .
N1 Y3 C72 145.2(2) .
C80 Y3 C72 35.7(2) .
N1 Y3 C76 145.9(2) .
C80 Y3 C76 36.5(2) .
C72 Y3 C76 63.2(2) .
N1 Y3 C79 140.0(2) .
C80 Y3 C79 36.1(2) .
C72 Y3 C79 62.7(2) .
C76 Y3 C79 58.0(2) .
N1 Y3 C77 123.1(2) .
C80 Y3 C77 57.0(2) .
C72 Y3 C77 91.3(2) .
C76 Y3 C77 32.8(2) .
C79 Y3 C77 54.6(2) .
N1 Y3 C78 121.3(2) .
C80 Y3 C78 56.3(2) .
C72 Y3 C78 90.4(2) .
C76 Y3 C78 54.6(2) .
C79 Y3 C78 32.0(2) .
C77 Y3 C78 31.78(19) .
N1 Y3 C75 122.5(2) .
C80 Y3 C75 61.2(2) .
C72 Y3 C75 70.1(2) .
C76 Y3 C75 32.9(2) .
C79 Y3 C75 90.3(2) .
C77 Y3 C75 55.8(2) .
C78 Y3 C75 84.9(2) .
N1 Y3 C73 123.6(2) .
C80 Y3 C73 59.4(2) .
C72 Y3 C73 32.4(2) .
C76 Y3 C73 68.3(2) .
C79 Y3 C73 92.9(2) .
C77 Y3 C73 101.1(2) .
C78 Y3 C73 114.79(19) .
C75 Y3 C73 55.4(2) .
N1 Y3 C71 120.4(2) .
C80 Y3 C71 58.4(2) .
C72 Y3 C71 32.1(2) .
C76 Y3 C71 92.7(2) .
C79 Y3 C71 66.5(2) .
C77 Y3 C71 114.2(2) .
C78 Y3 C71 98.5(2) .
C75 Y3 C71 101.8(2) .
C73 Y3 C71 53.1(2) .
N1 Y3 C69 116.47(19) .
C80 Y3 C69 59.5(2) .
C72 Y3 C69 68.6(2) .
C76 Y3 C69 88.9(2) .
C79 Y3 C69 31.5(2) .
C77 Y3 C69 83.6(2) .
C78 Y3 C69 54.1(2) .
C75 Y3 C69 119.8(2) .
C73 Y3 C69 100.4(2) .
C71 Y3 C69 53.5(2) .
N1 Y3 C74 116.14(19) .
C80 Y3 C74 67.9(2) .
C72 Y3 C74 57.1(2) .
C76 Y3 C74 55.5(2) .
C79 Y3 C74 103.6(2) .
C77 Y3 C74 84.08(19) .
C78 Y3 C74 110.06(19) .
C75 Y3 C74 29.23(19) .
C73 Y3 C74 30.7(2) .
C71 Y3 C74 83.4(2) .
C69 Y3 C74 123.79(19) .
N1 Y4 C3 149.0(9) .
N1 Y4 C4 167.7(8) .
C3 Y4 C4 41.2(3) .
N1 Y4 C18 140.1(8) .
C3 Y4 C18 68.2(4) .
C4 Y4 C18 36.9(3) .
N1 Y4 C15 124.3(7) .
C3 Y4 C15 35.9(3) .
C4 Y4 C15 68.0(4) .
C18 Y4 C15 75.9(4) .
N1 Y4 C2 124.0(7) .
C3 Y4 C2 33.6(3) .
C4 Y4 C2 60.2(4) .
C18 Y4 C2 95.7(4) .
C15 Y4 C2 59.6(4) .
N1 Y4 C17 122.3(6) .
C3 Y4 C17 73.2(4) .
C4 Y4 C17 61.8(4) .
C18 Y4 C17 32.9(3) .
C15 Y4 C17 59.8(4) .
C2 Y4 C17 106.7(4) .
N1 Y4 C16 116.6(6) .
C3 Y4 C16 60.8(4) .
C4 Y4 C16 73.4(4) .
C18 Y4 C16 59.7(4) .
C15 Y4 C16 32.8(3) .
C2 Y4 C16 90.8(4) .
C17 Y4 C16 31.8(3) .
N1 Y4 C5 138.2(6) .
C3 Y4 C5 58.0(4) .
C4 Y4 C5 32.0(3) .
C18 Y4 C5 60.7(4) .
C15 Y4 C5 92.7(4) .
C2 Y4 C5 55.5(3) .
C17 Y4 C5 91.4(4) .
C16 Y4 C5 105.1(4) .
N1 Y4 C6 112.5(6) .
C3 Y4 C6 88.6(5) .
C4 Y4 C6 55.5(4) .
C18 Y4 C6 66.4(4) .
C15 Y4 C6 122.3(5) .
C2 Y4 C6 82.0(4) .
C17 Y4 C6 98.8(5) .
C16 Y4 C6 124.6(5) .
C5 Y4 C6 30.8(2) .
N1 Y4 C19 116.9(6) .
C3 Y4 C19 93.9(5) .
C4 Y4 C19 55.0(4) .
C18 Y4 C19 29.1(3) .
C15 Y4 C19 104.7(5) .
C2 Y4 C19 113.8(4) .
C17 Y4 C19 52.1(3) .
C16 Y4 C19 83.6(4) .
C5 Y4 C19 62.8(3) .
C6 Y4 C19 51.5(3) .
N1 Y4 Y5 29.7(3) .
C3 Y4 Y5 140.9(7) .
C4 Y4 Y5 154.7(7) .
C18 Y4 Y5 118.5(6) .
C15 Y4 Y5 105.6(5) .
C2 Y4 Y5 139.2(6) .
C17 Y4 Y5 93.5(5) .
C16 Y4 Y5 88.4(4) .
C5 Y4 Y5 161.0(6) .
C6 Y4 Y5 130.1(5) .
C19 Y4 Y5 106.6(5) .
N1 Y5 C65 160.1(9) .
N1 Y5 C66 158.0(7) .
C65 Y5 C66 39.2(3) .
N1 Y5 C46 134.9(6) .
C65 Y5 C46 36.8(3) .
C66 Y5 C46 66.6(4) .
N1 Y5 C67 134.9(7) .
C65 Y5 C67 64.7(4) .
C66 Y5 C67 35.4(3) .
C46 Y5 C67 72.2(4) .
N1 Y5 C64 127.0(7) .
C65 Y5 C64 35.3(3) .
C66 Y5 C64 64.8(4) .
C46 Y5 C64 57.4(4) .
C67 Y5 C64 97.4(4) .
N1 Y5 C78 127.0(6) .
C65 Y5 C78 62.4(4) .
C66 Y5 C78 34.5(3) .
C46 Y5 C78 97.3(4) .
C67 Y5 C78 58.6(4) .
C64 Y5 C78 67.9(4) .
N1 Y5 C47 120.5(6) .
C65 Y5 C47 62.2(4) .
C66 Y5 C47 74.3(4) .
C46 Y5 C47 32.2(3) .
C67 Y5 C47 59.3(4) .
C64 Y5 C47 89.3(4) .
C78 Y5 C47 108.8(5) .
N1 Y5 C48 121.5(7) .
C65 Y5 C48 72.1(4) .
C66 Y5 C48 61.6(4) .
C46 Y5 C48 57.5(4) .
C67 Y5 C48 32.9(3) .
C64 Y5 C48 106.7(4) .
C78 Y5 C48 90.9(4) .
C47 Y5 C48 31.4(3) .
N1 Y5 C45 110.7(6) .
C65 Y5 C45 53.0(4) .
C66 Y5 C45 91.1(4) .
C46 Y5 C45 30.6(3) .
C67 Y5 C45 102.8(4) .
C64 Y5 C45 50.6(3) .
C78 Y5 C45 113.3(5) .
C47 Y5 C45 54.2(3) .
C48 Y5 C45 84.6(4) .
N1 Y5 C63 111.0(6) .
C65 Y5 C63 57.5(4) .
C66 Y5 C63 70.0(4) .
C46 Y5 C63 86.1(4) .
C67 Y5 C63 105.3(5) .
C64 Y5 C63 28.9(3) .
C78 Y5 C63 54.8(3) .
C47 Y5 C63 117.5(5) .
C48 Y5 C63 127.5(4) .
C45 Y5 C63 76.8(4) .
N1 Y5 C77 111.9(6) .
C65 Y5 C77 66.9(4) .
C66 Y5 C77 57.6(4) .
C46 Y5 C77 102.8(5) .
C67 Y5 C77 87.6(4) .
C64 Y5 C77 52.9(3) .
C78 Y5 C77 29.6(2) .
C47 Y5 C77 127.3(4) .
C48 Y5 C77 118.7(5) .
C45 Y5 C77 103.5(5) .
C63 Y5 C77 29.3(2) .
C57 Y6 N1 175.4(9) .
C57 Y6 C58 38.5(3) .
N1 Y6 C58 145.8(8) .
C57 Y6 C56 38.4(3) .
N1 Y6 C56 141.2(7) .
C58 Y6 C56 62.2(4) .
C57 Y6 C26 38.5(3) .
N1 Y6 C26 137.7(8) .
C58 Y6 C26 66.7(4) .
C56 Y6 C26 66.4(4) .
C57 Y6 C74 59.1(4) .
N1 Y6 C74 125.2(7) .
C58 Y6 C74 34.5(3) .
C56 Y6 C74 57.1(4) .
C26 Y6 C74 96.1(5) .
C57 Y6 C73 58.4(4) .
N1 Y6 C73 124.0(7) .
C58 Y6 C73 57.7(4) .
C56 Y6 C73 33.0(3) .
C26 Y6 C73 94.9(5) .
C74 Y6 C73 32.9(3) .
C57 Y6 C59 62.7(4) .
N1 Y6 C59 120.3(6) .
C58 Y6 C59 32.7(3) .
C56 Y6 C59 94.2(5) .
C26 Y6 C59 71.9(4) .
C74 Y6 C59 57.7(4) .
C73 Y6 C59 87.9(5) .
C57 Y6 C27 60.5(4) .
N1 Y6 C27 117.6(7) .
C58 Y6 C27 69.1(4) .
C56 Y6 C27 95.9(5) .
C26 Y6 C27 31.9(3) .
C74 Y6 C27 103.6(5) .
C73 Y6 C27 118.1(5) .
C59 Y6 C27 55.5(3) .
C57 Y6 C55 60.7(4) .
N1 Y6 C55 116.8(6) .
C58 Y6 C55 92.6(5) .
C56 Y6 C55 31.4(3) .
C26 Y6 C55 69.6(4) .
C74 Y6 C55 86.3(5) .
C73 Y6 C55 55.8(3) .
C59 Y6 C55 122.8(5) .
C27 Y6 C55 101.1(5) .
C57 Y6 C25 59.0(4) .
N1 Y6 C25 116.4(7) .
C58 Y6 C25 94.6(5) .
C56 Y6 C25 67.9(4) .
C26 Y6 C25 30.4(3) .
C74 Y6 C25 117.1(5) .
C73 Y6 C25 100.9(4) .
C59 Y6 C25 101.9(5) .
C27 Y6 C25 52.6(3) .
C55 Y6 C25 53.9(3) .
C57 Y6 C28 68.3(4) .
N1 Y6 C28 112.3(6) .
C58 Y6 C28 55.5(4) .
C56 Y6 C28 106.5(5) .
C26 Y6 C28 56.5(4) .
C74 Y6 C28 86.3(4) .
C73 Y6 C28 113.1(5) .
C59 Y6 C28 29.6(2) .
C27 Y6 C28 29.6(2) .
C55 Y6 C28 124.3(5) .
C25 Y6 C28 81.8(4) .
C16 Y7 N1 160.1(10) .
C16 Y7 C15 41.1(4) .
N1 Y7 C15 140.2(9) .
C16 Y7 C17 40.1(4) .
N1 Y7 C17 148.1(9) .
C15 Y7 C17 71.6(5) .
C16 Y7 C3 67.4(5) .
N1 Y7 C3 126.3(9) .
C15 Y7 C3 36.3(3) .
C17 Y7 C3 76.9(5) .
C16 Y7 C35 35.8(4) .
N1 Y7 C35 124.9(8) .
C15 Y7 C35 66.0(5) .
C17 Y7 C35 60.3(5) .
C3 Y7 C35 99.9(5) .
C16 Y7 C18 66.9(5) .
N1 Y7 C18 130.7(8) .
C15 Y7 C18 78.8(5) .
C17 Y7 C18 34.8(3) .
C3 Y7 C18 62.1(4) .
C35 Y7 C18 94.6(6) .
C16 Y7 C4 76.3(5) .
N1 Y7 C4 123.4(8) .
C15 Y7 C4 64.3(4) .
C17 Y7 C4 61.7(4) .
C3 Y7 C4 34.0(3) .
C35 Y7 C4 111.7(5) .
C18 Y7 C4 33.0(3) .
C16 Y7 C37 57.7(5) .
N1 Y7 C37 119.6(7) .
C15 Y7 C37 97.8(6) .
C17 Y7 C37 33.0(3) .
C3 Y7 C37 109.9(5) .
C35 Y7 C37 53.8(4) .
C18 Y7 C37 58.5(4) .
C4 Y7 C37 90.8(5) .
C16 Y7 C14 60.7(5) .
N1 Y7 C14 112.3(7) .
C15 Y7 C14 30.9(3) .
C17 Y7 C14 98.7(5) .
C3 Y7 C14 56.4(4) .
C35 Y7 C14 67.1(5) .
C18 Y7 C14 109.6(5) .
C4 Y7 C14 89.9(5) .
C37 Y7 C14 116.1(6) .
C16 Y7 C36 54.7(5) .
N1 Y7 C36 111.6(7) .
C15 Y7 C36 93.2(6) .
C17 Y7 C36 54.8(5) .
C3 Y7 C36 121.6(6) .
C35 Y7 C36 30.4(3) .
C18 Y7 C36 87.1(5) .
C4 Y7 C36 116.4(6) .
C37 Y7 C36 30.9(3) .
C14 Y7 C36 97.3(5) .
C16 Y7 C34 57.3(5) .
N1 Y7 C34 103.2(6) .
C15 Y7 C34 67.8(5) .
C17 Y7 C34 89.6(6) .
C3 Y7 C34 103.6(5) .
C35 Y7 C34 29.8(3) .
C18 Y7 C34 122.8(6) .
C4 Y7 C34 129.6(5) .
C37 Y7 C34 81.0(5) .
C14 Y7 C34 52.2(3) .
C36 Y7 C34 51.8(4) .
N1 Y8 C63 160.5(13) .
N1 Y8 C62 157.8(10) .
C63 Y8 C62 37.5(3) .
N1 Y8 C77 138.7(9) .
C63 Y8 C77 36.4(3) .
C62 Y8 C77 63.1(4) .
N1 Y8 C61 135.5(11) .
C63 Y8 C61 64.0(5) .
C62 Y8 C61 35.0(4) .
C77 Y8 C61 69.5(5) .
N1 Y8 C64 129.3(11) .
C63 Y8 C64 33.2(4) .
C62 Y8 C64 60.3(5) .
C77 Y8 C64 58.9(4) .
C61 Y8 C64 93.6(5) .
N1 Y8 C42 126.2(8) .
C63 Y8 C42 61.9(5) .
C62 Y8 C42 33.6(3) .
C77 Y8 C42 94.8(5) .
C61 Y8 C42 54.5(4) .
C64 Y8 C42 66.3(5) .
N1 Y8 C75 123.4(10) .
C63 Y8 C75 72.1(5) .
C62 Y8 C75 59.8(5) .
C77 Y8 C75 56.5(4) .
C61 Y8 C75 31.5(3) .
C64 Y8 C75 105.2(5) .
C42 Y8 C75 85.6(6) .
N1 Y8 C76 126.2(9) .
C63 Y8 C76 60.1(4) .
C62 Y8 C76 69.1(5) .
C77 Y8 C76 30.6(3) .
C61 Y8 C76 55.5(4) .
C64 Y8 C76 88.5(5) .
C42 Y8 C76 102.0(6) .
C75 Y8 C76 30.4(3) .
N1 Y8 C44 112.3(9) .
C63 Y8 C44 56.3(5) .
C62 Y8 C44 65.3(5) .
C77 Y8 C44 88.1(6) .
C61 Y8 C44 99.5(6) .
C64 Y8 C44 29.9(3) .
C42 Y8 C44 52.1(4) .
C75 Y8 C44 123.6(6) .
C76 Y8 C44 116.1(6) .
N1 Y8 C43 111.1(8) .
C63 Y8 C43 67.3(5) .
C62 Y8 C43 55.2(4) .
C77 Y8 C43 103.6(6) .
C61 Y8 C43 82.4(5) .
C64 Y8 C43 53.9(4) .
C42 Y8 C43 28.2(3) .
C75 Y8 C43 113.0(6) .
C76 Y8 C43 122.6(5) .
C44 Y8 C43 28.8(3) .
N1 Y8 C78 112.0(8) .
C63 Y8 C78 56.4(5) .
C62 Y8 C78 90.2(5) .
C77 Y8 C78 29.0(3) .
C61 Y8 C78 97.6(5) .
C64 Y8 C78 62.0(4) .
C42 Y8 C78 118.3(6) .
C75 Y8 C78 77.9(5) .
C76 Y8 C78 47.5(3) .
C44 Y8 C78 90.4(6) .
C43 Y8 C78 115.7(7) .
C24 Y9 C23 40.6(4) .
C24 Y9 N1 162.4(10) .
C23 Y9 N1 152.9(9) .
C24 Y9 C55 37.5(4) .
C23 Y9 C55 69.2(5) .
N1 Y9 C55 137.4(8) .
C24 Y9 C22 67.5(5) .
C23 Y9 C22 35.9(4) .
N1 Y9 C22 130.1(8) .
C55 Y9 C22 77.0(5) .
C24 Y9 C25 36.2(4) .
C23 Y9 C25 61.5(5) .
N1 Y9 C25 128.8(8) .
C55 Y9 C25 63.0(5) .
C22 Y9 C25 96.6(6) .
C24 Y9 C7 60.0(4) .
C23 Y9 C7 34.0(3) .
N1 Y9 C7 124.7(7) .
C55 Y9 C7 96.5(6) .
C22 Y9 C7 60.1(4) .
C25 Y9 C7 56.7(4) .
C24 Y9 C54 62.6(5) .
C23 Y9 C54 73.9(5) .
N1 Y9 C54 123.5(7) .
C55 Y9 C54 34.2(3) .
C22 Y9 C54 60.0(4) .
C25 Y9 C54 95.4(6) .
C7 Y9 C54 107.9(6) .
C24 Y9 C53 73.3(5) .
C23 Y9 C53 61.1(5) .
N1 Y9 C53 121.2(7) .
C55 Y9 C53 60.9(5) .
C22 Y9 C53 32.9(3) .
C25 Y9 C53 109.5(6) .
C7 Y9 C53 91.6(5) .
C54 Y9 C53 31.7(3) .
C24 Y9 C8 56.5(4) .
C23 Y9 C8 56.5(4) .
N1 Y9 C8 116.6(7) .
C55 Y9 C8 91.5(5) .
C22 Y9 C8 90.1(5) .
C25 Y9 C8 31.8(3) .
C7 Y9 C8 32.8(3) .
C54 Y9 C8 118.8(6) .
C53 Y9 C8 117.3(6) .
C24 Y9 C56 57.1(4) .
C23 Y9 C56 95.7(6) .
N1 Y9 C56 111.4(6) .
C55 Y9 C56 29.5(3) .
C22 Y9 C56 106.2(6) .
C25 Y9 C56 64.2(4) .
C7 Y9 C56 115.2(6) .
C54 Y9 C56 53.2(4) .
C53 Y9 C56 84.6(5) .
C8 Y9 C56 95.9(5) .
C24 Y9 C26 56.1(5) .
C23 Y9 C26 88.9(6) .
N1 Y9 C26 106.5(6) .
C55 Y9 C26 65.5(5) .
C22 Y9 C26 122.6(6) .
C25 Y9 C26 27.9(3) .
C7 Y9 C26 82.0(5) .
C54 Y9 C26 99.3(5) .
C53 Y9 C26 124.8(6) .
C8 Y9 C26 51.3(3) .
C56 Y9 C26 51.3(3) .
Y8 N1 Y5 51.9(8) .
Y8 N1 Y3 50.5(6) .
Y5 N1 Y3 64.0(4) .
Y8 N1 Y4 144.4(8) .
Y5 N1 Y4 119.3(6) .
Y3 N1 Y4 164.6(5) .
Y8 N1 Y2 143.5(7) .
Y5 N1 Y2 91.8(5) .
Y3 N1 Y2 122.1(2) .
Y4 N1 Y2 45.3(5) .
Y8 N1 Y1 87.4(6) .
Y5 N1 Y1 125.9(5) .
Y3 N1 Y1 119.8(2) .
Y4 N1 Y1 71.7(5) .
Y2 N1 Y1 116.9(2) .
Y8 N1 Y7 123.6(8) .
Y5 N1 Y7 93.3(7) .
Y3 N1 Y7 155.3(6) .
Y4 N1 Y7 26.8(5) .
Y2 N1 Y7 44.8(5) .
Y1 N1 Y7 80.6(5) .
Y8 N1 Y6 80.9(8) .
Y5 N1 Y6 124.1(6) .
Y3 N1 Y6 62.9(5) .
Y4 N1 Y6 116.6(7) .
Y2 N1 Y6 131.1(5) .
Y1 N1 Y6 70.6(4) .
Y7 N1 Y6 141.6(7) .
Y8 N1 Y9 124.9(8) .
Y5 N1 Y9 134.2(6) .
Y3 N1 Y9 81.7(5) .
Y4 N1 Y9 86.9(6) .
Y2 N1 Y9 81.2(5) .
Y1 N1 Y9 96.7(5) .
Y7 N1 Y9 111.3(7) .
Y6 N1 Y9 50.3(6) .
C81 N2 C82 105.1(4) .
C81 N2 C83 111.5(5) .
C82 N2 C83 111.3(5) .
C9 C1 C81 114.0(5) .
C9 C1 C2 106.4(5) .
C81 C1 C2 115.3(5) .
C9 C1 C5 114.9(5) .
C81 C1 C5 102.8(4) .
C2 C1 C5 103.2(4) .
C12 C2 C3 121.8(5) .
C12 C2 C1 125.9(5) .
C3 C2 C1 109.8(5) .
C12 C2 Y4 105.4(5) .
C3 C2 Y4 52.6(4) .
C1 C2 Y4 92.6(4) .
C12 C2 Y1 57.3(3) .
C3 C2 Y1 95.9(3) .
C1 C2 Y1 104.9(3) .
Y4 C2 Y1 51.8(3) .
C15 C3 C2 121.5(5) .
C15 C3 C4 122.7(5) .
C2 C3 C4 111.1(5) .
C15 C3 Y4 85.0(5) .
C2 C3 Y4 93.8(5) .
C4 C3 Y4 69.8(5) .
C15 C3 Y7 61.9(5) .
C2 C3 Y7 109.9(5) .
C4 C3 Y7 80.9(5) .
Y4 C3 Y7 23.7(5) .
C18 C4 C3 120.1(5) .
C18 C4 C5 126.7(6) .
C3 C4 C5 110.3(5) .
C18 C4 Y4 83.4(5) .
C3 C4 Y4 69.1(5) .
C5 C4 Y4 100.0(5) .
C18 C4 Y7 71.1(5) .
C3 C4 Y7 65.1(5) .
C5 C4 Y7 120.3(5) .
Y4 C4 Y7 20.4(5) .
C18 C4 Y2 56.0(3) .
C3 C4 Y2 96.5(3) .
C5 C4 Y2 104.1(3) .
Y4 C4 Y2 30.9(4) .
Y7 C4 Y2 32.2(3) .
C4 C5 C6 108.0(5) .
C4 C5 C82 116.2(5) .
C6 C5 C82 110.5(4) .
C4 C5 C1 105.2(5) .
C6 C5 C1 115.8(5) .
C82 C5 C1 101.2(4) .
C4 C5 Y4 48.0(4) .
C6 C5 Y4 79.3(4) .
C82 C5 Y4 164.2(5) .
C1 C5 Y4 84.6(4) .
C7 C6 C20 119.1(5) .
C7 C6 C5 120.8(5) .
C20 C6 C5 117.8(6) .
C7 C6 Y4 102.8(4) .
C20 C6 Y4 82.3(5) .
C5 C6 Y4 69.9(4) .
C6 C7 C23 122.2(6) .
C6 C7 C8 121.8(5) .
C23 C7 C8 107.5(6) .
C6 C7 Y9 101.9(5) .
C23 C7 Y9 56.8(5) .
C8 C7 Y9 80.4(5) .
C9 C8 C25 121.8(6) .
C9 C8 C7 122.3(6) .
C25 C8 C7 107.6(5) .
C9 C8 Y9 108.8(5) .
C25 C8 Y9 64.0(5) .
C7 C8 Y9 66.8(5) .
C8 C9 C10 118.6(5) .
C8 C9 C1 120.0(5) .
C10 C9 C1 119.1(5) .
C27 C10 C11 110.0(5) .
C27 C10 C9 118.0(5) .
C11 C10 C9 126.0(5) .
C27 C10 Y1 82.9(3) .
C11 C10 Y1 64.8(3) .
C9 C10 Y1 97.2(3) .
C10 C11 C29 106.5(5) .
C10 C11 C12 114.1(5) .
C29 C11 C12 121.1(6) .
C10 C11 Y1 81.7(3) .
C29 C11 Y1 71.8(3) .
C12 C11 Y1 73.9(3) .
C2 C12 C13 117.3(6) .
C2 C12 C11 118.1(5) .
C13 C12 C11 114.8(5) .
C2 C12 Y1 92.8(3) .
C13 C12 Y1 75.4(3) .
C11 C12 Y1 70.3(3) .
C12 C13 C31 124.7(6) .
C12 C13 C14 119.4(5) .
C31 C13 C14 106.1(5) .
C12 C13 Y1 70.4(3) .
C31 C13 Y1 74.9(3) .
C14 C13 Y1 96.6(3) .
C33 C14 C15 120.6(6) .
C33 C14 C13 109.2(5) .
C15 C14 C13 121.9(6) .
C33 C14 Y7 89.1(5) .
C15 C14 Y7 50.2(4) .
C13 C14 Y7 107.0(5) .
C33 C14 Y1 91.6(3) .
C15 C14 Y1 94.5(3) .
C13 C14 Y1 54.4(3) .
Y7 C14 Y1 55.1(3) .
C14 C15 C3 118.0(6) .
C14 C15 C16 118.9(6) .
C3 C15 C16 116.7(6) .
C14 C15 Y7 98.9(6) .
C3 C15 Y7 81.8(6) .
C16 C15 Y7 64.4(6) .
C14 C15 Y4 103.9(5) .
C3 C15 Y4 59.1(4) .
C16 C15 Y4 82.4(5) .
Y7 C15 Y4 23.3(5) .
C35 C16 C15 120.7(6) .
C35 C16 C17 108.8(6) .
C15 C16 C17 121.9(6) .
C35 C16 Y7 89.3(6) .
C15 C16 Y7 74.5(6) .
C17 C16 Y7 78.0(6) .
C35 C16 Y4 106.8(5) .
C15 C16 Y4 64.9(4) .
C17 C16 Y4 73.9(5) .
Y7 C16 Y4 17.5(5) .
C18 C17 C16 121.4(6) .
C18 C17 C37 122.5(6) .
C16 C17 C37 106.9(6) .
C18 C17 Y7 84.9(6) .
C16 C17 Y7 61.9(5) .
C37 C17 Y7 92.5(6) .
C18 C17 Y2 69.9(3) .
C16 C17 Y2 99.0(4) .
C37 C17 Y2 73.6(3) .
Y7 C17 Y2 38.0(4) .
C18 C17 Y4 64.7(4) .
C16 C17 Y4 74.3(5) .
C37 C17 Y4 105.0(5) .
Y7 C17 Y4 20.4(5) .
Y2 C17 Y4 35.5(3) .
C17 C18 C4 117.1(6) .
C17 C18 C19 117.7(6) .
C4 C18 C19 116.5(6) .
C17 C18 Y4 82.4(5) .
C4 C18 Y4 59.7(4) .
C19 C18 Y4 99.1(5) .
C17 C18 Y2 76.6(3) .
C4 C18 Y2 94.7(3) .
C19 C18 Y2 69.7(3) .
Y4 C18 Y2 37.9(3) .
C17 C18 Y7 60.2(5) .
C4 C18 Y7 75.9(5) .
C19 C18 Y7 106.5(5) .
Y4 C18 Y7 22.3(4) .
Y2 C18 Y7 36.9(3) .
C20 C19 C18 115.1(5) .
C20 C19 C39 107.2(5) .
C18 C19 C39 119.7(6) .
C20 C19 Y2 82.4(3) .
C18 C19 Y2 74.6(3) .
C39 C19 Y2 70.6(3) .
C20 C19 Y4 78.3(4) .
C18 C19 Y4 51.8(4) .
C39 C19 Y4 101.4(4) .
Y2 C19 Y4 31.3(2) .
C19 C20 C21 109.5(6) .
C19 C20 C6 126.4(5) .
C21 C20 C6 117.6(6) .
C19 C20 Y2 65.0(3) .
C21 C20 Y2 81.2(3) .
C6 C20 Y2 97.7(3) .
C22 C21 C40 124.6(6) .
C22 C21 C20 122.2(6) .
C40 C21 C20 107.0(6) .
C22 C21 Y2 106.5(4) .
C40 C21 Y2 68.3(3) .
C20 C21 Y2 67.9(3) .
C22 C21 Y9 51.5(4) .
C40 C21 Y9 108.3(5) .
C20 C21 Y9 91.2(4) .
Y2 C21 Y9 56.0(3) .
C21 C22 C23 117.3(5) .
C21 C22 C53 117.5(6) .
C23 C22 C53 117.9(6) .
C21 C22 Y9 101.0(5) .
C23 C22 Y9 61.2(5) .
C53 C22 Y9 81.9(5) .
C7 C23 C22 121.5(6) .
C7 C23 C24 108.9(6) .
C22 C23 C24 120.6(6) .
C7 C23 Y9 89.3(6) .
C22 C23 Y9 82.9(6) .
C24 C23 Y9 67.7(5) .
C55 C24 C23 122.0(6) .
C55 C24 C25 119.8(6) .
C23 C24 C25 108.3(5) .
C55 C24 Y9 80.4(6) .
C23 C24 Y9 71.7(6) .
C25 C24 Y9 86.7(6) .
C55 C24 Y6 67.3(5) .
C23 C24 Y6 107.7(4) .
C25 C24 Y6 67.8(4) .
Y9 C24 Y6 36.9(5) .
C26 C25 C8 120.8(6) .
C26 C25 C24 122.1(6) .
C8 C25 C24 107.7(6) .
C26 C25 Y9 96.7(5) .
C8 C25 Y9 84.1(5) .
C24 C25 Y9 57.1(5) .
C26 C25 Y6 56.8(4) .
C8 C25 Y6 104.6(5) .
C24 C25 Y6 83.0(4) .
Y9 C25 Y6 39.9(5) .
C25 C26 C27 117.7(5) .
C25 C26 C57 118.1(6) .
C27 C26 C57 117.1(6) .
C25 C26 Y6 92.8(5) .
C27 C26 Y6 89.4(5) .
C57 C26 Y6 61.5(5) .
C25 C26 Y9 55.4(4) .
C27 C26 Y9 105.4(5) .
C57 C26 Y9 84.2(4) .
Y6 C26 Y9 37.4(5) .
C10 C27 C26 122.9(6) .
C10 C27 C28 107.6(6) .
C26 C27 C28 123.3(5) .
C10 C27 Y6 107.9(5) .
C26 C27 Y6 58.7(4) .
C28 C27 Y6 84.0(5) .
C10 C27 Y1 66.9(3) .
C26 C27 Y1 107.3(4) .
C28 C27 Y1 68.7(3) .
Y6 C27 Y1 51.8(3) .
C59 C28 C27 118.1(6) .
C59 C28 C29 124.5(6) .
C27 C28 C29 108.6(5) .
C59 C28 Y1 95.9(4) .
C27 C28 Y1 80.7(3) .
C29 C28 Y1 63.0(3) .
C59 C28 Y6 64.8(5) .
C27 C28 Y6 66.4(4) .
C29 C28 Y6 113.8(5) .
Y1 C28 Y6 50.9(3) .
C28 C29 C30 115.9(6) .
C28 C29 C11 107.2(5) .
C30 C29 C11 122.0(6) .
C28 C29 Y1 83.9(4) .
C30 C29 Y1 75.7(4) .
C11 C29 Y1 72.1(3) .
C31 C30 C41 113.6(6) .
C31 C30 C29 117.0(6) .
C41 C30 C29 119.0(7) .
C31 C30 Y1 75.9(3) .
C41 C30 Y1 93.1(4) .
C29 C30 Y1 69.2(3) .
C32 C31 C13 106.8(6) .
C32 C31 C30 122.3(5) .
C13 C31 C30 120.1(6) .
C32 C31 Y1 97.4(4) .
C13 C31 Y1 71.6(3) .
C30 C31 Y1 70.2(3) .
C33 C32 C31 110.4(5) .
C33 C32 C43 120.5(6) .
C31 C32 C43 121.4(6) .
C14 C33 C32 107.5(6) .
C14 C33 C34 122.1(6) .
C32 C33 C34 121.7(6) .
C14 C33 Y7 63.4(4) .
C32 C33 Y7 110.7(5) .
C34 C33 Y7 71.7(5) .
C45 C34 C33 117.1(6) .
C45 C34 C35 118.7(6) .
C33 C34 C35 116.8(6) .
C45 C34 Y7 108.9(5) .
C33 C34 Y7 80.5(5) .
C35 C34 Y7 55.5(4) .
C36 C35 C16 108.8(7) .
C36 C35 C34 121.3(6) .
C16 C35 C34 120.5(6) .
C36 C35 Y7 88.5(6) .
C16 C35 Y7 54.9(5) .
C34 C35 Y7 94.8(5) .
C35 C36 C47 120.4(6) .
C35 C36 C37 109.4(6) .
C47 C36 C37 122.1(6) .
C35 C36 Y7 61.2(5) .
C47 C36 Y7 107.2(4) .
C37 C36 Y7 72.0(5) .
C38 C37 C36 122.2(6) .
C38 C37 C17 121.1(6) .
C36 C37 C17 106.0(6) .
C38 C37 Y2 68.7(3) .
C36 C37 Y2 98.4(4) .
C17 C37 Y2 72.8(3) .
C38 C37 Y7 103.3(5) .
C36 C37 Y7 77.1(5) .
C17 C37 Y7 54.5(4) .
Y2 C37 Y7 34.8(3) .
C49 C38 C37 114.6(6) .
C49 C38 C39 117.8(6) .
C37 C38 C39 117.7(6) .
C49 C38 Y2 92.0(4) .
C37 C38 Y2 77.7(4) .
C39 C38 Y2 69.2(3) .
C40 C39 C38 117.0(5) .
C40 C39 C19 106.9(6) .
C38 C39 C19 120.9(6) .
C40 C39 Y2 83.8(4) .
C38 C39 Y2 74.8(3) .
C19 C39 Y2 72.7(3) .
C39 C40 C21 109.4(5) .
C39 C40 C51 124.2(6) .
C21 C40 C51 116.5(6) .
C39 C40 Y2 63.4(3) .
C21 C40 Y2 80.8(3) .
C51 C40 Y2 93.9(4) .
C60 C41 C42 108.0(6) .
C60 C41 C30 122.2(6) .
C42 C41 C30 122.7(6) .
C60 C41 Y1 91.2(4) .
C42 C41 Y1 99.3(3) .
C30 C41 Y1 57.1(3) .
C43 C42 C41 122.9(6) .
C43 C42 C62 120.0(6) .
C41 C42 C62 107.7(6) .
C43 C42 Y8 87.0(6) .
C41 C42 Y8 93.8(6) .
C62 C42 Y8 57.8(5) .
C42 C43 C44 119.5(6) .
C42 C43 C32 116.8(6) .
C44 C43 C32 116.4(6) .
C42 C43 Y8 64.7(5) .
C44 C43 Y8 75.0(5) .
C32 C43 Y8 105.7(5) .
C45 C44 C64 108.8(6) .
C45 C44 C43 121.9(6) .
C64 C44 C43 119.4(6) .
C45 C44 Y8 102.7(5) .
C64 C44 Y8 61.7(5) .
C43 C44 Y8 76.1(5) .
C45 C44 Y5 72.7(4) .
C64 C44 Y5 59.3(4) .
C43 C44 Y5 105.4(4) .
Y8 C44 Y5 34.1(5) .
C44 C45 C34 122.2(6) .
C44 C45 C46 109.2(6) .
C34 C45 C46 119.0(6) .
C44 C45 Y5 79.1(5) .
C34 C45 Y5 101.9(4) .
C46 C45 Y5 56.3(4) .
C47 C46 C65 121.6(6) .
C47 C46 C45 121.9(6) .
C65 C46 C45 106.2(6) .
C47 C46 Y5 83.3(5) .
C65 C46 Y5 61.7(4) .
C45 C46 Y5 93.1(5) .
C46 C47 C48 118.4(6) .
C46 C47 C36 118.6(6) .
C48 C47 C36 115.9(6) .
C46 C47 Y5 64.5(4) .
C48 C47 Y5 75.6(5) .
C36 C47 Y5 105.3(4) .
C47 C48 C67 119.6(6) .
C47 C48 C49 121.5(6) .
C67 C48 C49 108.8(6) .
C47 C48 Y5 73.0(4) .
C67 C48 Y5 63.8(4) .
C49 C48 Y5 104.2(5) .
C50 C49 C38 122.9(6) .
C50 C49 C48 106.8(6) .
C38 C49 C48 123.5(7) .
C50 C49 Y2 90.0(4) .
C38 C49 Y2 58.1(3) .
C48 C49 Y2 100.4(4) .
C51 C50 C49 121.0(6) .
C51 C50 C68 121.3(6) .
C49 C50 C68 108.5(6) .
C50 C51 C52 117.8(6) .
C50 C51 C40 116.7(6) .
C52 C51 C40 118.1(6) .
C53 C52 C51 123.1(6) .
C53 C52 C70 107.1(6) .
C51 C52 C70 120.3(6) .
C54 C53 C52 109.1(6) .
C54 C53 C22 121.8(6) .
C52 C53 C22 119.7(6) .
C54 C53 Y9 72.8(5) .
C52 C53 Y9 106.2(5) .
C22 C53 Y9 65.2(5) .
C53 C54 C71 109.4(6) .
C53 C54 C55 120.9(6) .
C71 C54 C55 120.2(6) .
C53 C54 Y9 75.5(5) .
C71 C54 Y9 105.4(5) .
C55 C54 Y9 62.4(5) .
C24 C55 C56 119.6(7) .
C24 C55 C54 116.6(6) .
C56 C55 C54 116.3(6) .
C24 C55 Y9 62.1(5) .
C56 C55 Y9 97.8(6) .
C54 C55 Y9 83.3(6) .
C24 C55 Y6 84.1(5) .
C56 C55 Y6 57.3(4) .
C54 C55 Y6 103.1(5) .
Y9 C55 Y6 40.7(5) .
C55 C56 C73 123.0(7) .
C55 C56 C57 120.0(6) .
C73 C56 C57 108.2(6) .
C55 C56 Y6 91.4(5) .
C73 C56 Y6 85.9(5) .
C57 C56 Y6 61.6(5) .
C55 C56 Y9 52.7(4) .
C73 C56 Y9 104.7(5) .
C57 C56 Y9 87.8(5) .
Y6 C56 Y9 38.8(5) .
C58 C57 C56 109.2(6) .
C58 C57 C26 120.3(6) .
C56 C57 C26 120.2(6) .
C58 C57 Y6 77.7(5) .
C56 C57 Y6 80.0(5) .
C26 C57 Y6 80.1(6) .
C57 C58 C59 122.2(6) .
C57 C58 C74 107.6(6) .
C59 C58 C74 121.3(6) .
C57 C58 Y6 63.8(5) .
C59 C58 Y6 89.9(5) .
C74 C58 Y6 85.6(5) .
C60 C59 C58 116.8(6) .
C60 C59 C28 117.6(6) .
C58 C59 C28 118.5(6) .
C60 C59 Y6 101.5(5) .
C58 C59 Y6 57.5(4) .
C28 C59 Y6 85.6(5) .
C59 C60 C41 120.3(6) .
C59 C60 C61 120.9(6) .
C41 C60 C61 108.8(6) .
C59 C60 Y8 102.3(5) .
C41 C60 Y8 79.3(5) .
C61 C60 Y8 55.5(4) .
C62 C61 C75 122.2(6) .
C62 C61 C60 107.3(6) .
C75 C61 C60 122.8(6) .
C62 C61 Y8 62.3(6) .
C75 C61 Y8 84.5(6) .
C60 C61 Y8 95.8(5) .
C63 C62 C61 121.0(6) .
C63 C62 C42 121.1(6) .
C61 C62 C42 108.2(6) .
C63 C62 Y8 69.1(6) .
C61 C62 Y8 82.7(7) .
C42 C62 Y8 88.6(6) .
C64 C63 C62 118.3(6) .
C64 C63 C77 118.4(6) .
C62 C63 C77 116.7(6) .
C64 C63 Y8 88.4(7) .
C62 C63 Y8 73.4(6) .
C77 C63 Y8 82.5(6) .
C64 C63 Y5 61.6(4) .
C62 C63 Y5 107.7(4) .
C77 C63 Y5 77.4(4) .
Y8 C63 Y5 36.3(6) .
C63 C64 C44 121.4(6) .
C63 C64 C65 121.8(6) .
C44 C64 C65 106.8(6) .
C63 C64 Y5 89.4(5) .
C44 C64 Y5 91.4(5) .
C65 C64 Y5 56.9(4) .
C63 C64 Y8 58.5(5) .
C44 C64 Y8 88.4(5) .
C65 C64 Y8 95.3(6) .
Y5 C64 Y8 39.4(5) .
C66 C65 C46 120.2(6) .
C66 C65 C64 121.4(6) .
C46 C65 C64 108.9(6) .
C66 C65 Y5 70.9(5) .
C46 C65 Y5 81.5(5) .
C64 C65 Y5 87.8(6) .
C66 C65 Y8 84.1(5) .
C46 C65 Y8 100.1(5) .
C64 C65 Y8 56.2(4) .
Y5 C65 Y8 32.8(5) .
C67 C66 C65 118.2(6) .
C67 C66 C78 117.0(6) .
C65 C66 C78 117.1(6) .
C67 C66 Y5 82.6(5) .
C65 C66 Y5 69.9(5) .
C78 C66 Y5 90.0(5) .
C66 C67 C68 122.4(6) .
C66 C67 C48 121.9(6) .
C68 C67 C48 107.3(6) .
C66 C67 Y5 62.0(4) .
C68 C67 Y5 99.3(5) .
C48 C67 Y5 83.3(5) .
C67 C68 C69 121.1(6) .
C67 C68 C50 108.6(6) .
C69 C68 C50 122.1(6) .
C67 C68 Y5 52.7(4) .
C69 C68 Y5 90.7(4) .
C50 C68 Y5 97.6(4) .
C70 C69 C68 115.4(6) .
C70 C69 C79 118.7(6) .
C68 C69 C79 118.1(6) .
C70 C69 Y3 81.1(4) .
C68 C69 Y3 101.0(4) .
C79 C69 Y3 61.5(3) .
C69 C70 C71 121.2(6) .
C69 C70 C52 123.1(7) .
C71 C70 C52 108.3(6) .
C69 C70 Y3 70.4(4) .
C71 C70 Y3 68.5(3) .
C52 C70 Y3 107.5(4) .
C54 C71 C70 106.0(6) .
C54 C71 C72 123.8(7) .
C70 C71 C72 121.5(6) .
C54 C71 Y3 101.7(4) .
C70 C71 Y3 82.1(3) .
C72 C71 Y3 61.0(3) .
C73 C72 C80 119.3(6) .
C73 C72 C71 113.4(6) .
C80 C72 C71 118.1(6) .
C73 C72 Y3 84.6(3) .
C80 C72 Y3 68.7(3) .
C71 C72 Y3 86.9(3) .
C56 C73 C72 123.3(7) .
C56 C73 C74 107.6(6) .
C72 C73 C74 120.8(6) .
C56 C73 Y6 61.1(4) .
C72 C73 Y6 106.6(5) .
C74 C73 Y6 72.0(4) .
C56 C73 Y3 101.4(4) .
C72 C73 Y3 63.0(3) .
C74 C73 Y3 80.3(3) .
Y6 C73 Y3 47.7(3) .
C75 C74 C58 122.6(7) .
C75 C74 C73 120.6(6) .
C58 C74 C73 107.4(6) .
C75 C74 Y6 102.6(5) .
C58 C74 Y6 59.9(4) .
C73 C74 Y6 75.1(4) .
C75 C74 Y3 68.8(3) .
C58 C74 Y3 104.9(3) .
C73 C74 Y3 69.0(3) .
Y6 C74 Y3 46.4(3) .
C74 C75 C61 115.4(6) .
C74 C75 C76 119.6(6) .
C61 C75 C76 118.0(6) .
C74 C75 Y3 82.0(4) .
C61 C75 Y3 99.4(4) .
C76 C75 Y3 63.8(3) .
C74 C75 Y8 103.4(5) .
C61 C75 Y8 64.0(5) .
C76 C75 Y8 77.4(5) .
Y3 C75 Y8 36.2(4) .
C77 C76 C75 117.6(5) .
C77 C76 C80 108.6(6) .
C75 C76 C80 120.5(6) .
C77 C76 Y3 81.5(3) .
C75 C76 Y3 83.3(3) .
C80 C76 Y3 68.1(3) .
C77 C76 Y8 60.3(5) .
C75 C76 Y8 72.2(5) .
C80 C76 Y8 103.4(5) .
Y3 C76 Y8 36.5(3) .
C76 C77 C78 108.4(6) .
C76 C77 C63 123.8(6) .
C78 C77 C63 120.2(6) .
C76 C77 Y8 89.1(6) .
C78 C77 Y8 95.7(6) .
C63 C77 Y8 61.1(5) .
C76 C77 Y3 65.7(3) .
C78 C77 Y3 75.5(3) .
C63 C77 Y3 99.7(3) .
Y8 C77 Y3 38.6(4) .
C76 C77 Y5 110.2(4) .
C78 C77 Y5 62.2(4) .
C63 C77 Y5 73.3(4) .
Y8 C77 Y5 35.6(6) .
Y3 C77 Y5 44.6(2) .
C79 C78 C77 109.0(6) .
C79 C78 C66 122.3(6) .
C77 C78 C66 120.7(6) .
C79 C78 Y5 102.2(5) .
C77 C78 Y5 88.2(5) .
C66 C78 Y5 55.4(4) .
C79 C78 Y3 66.2(3) .
C77 C78 Y3 72.7(3) .
C66 C78 Y3 101.3(4) .
Y5 C78 Y3 47.7(3) .
C79 C78 Y8 100.3(5) .
C77 C78 Y8 55.3(4) .
C66 C78 Y8 86.3(5) .
Y5 C78 Y8 34.9(5) .
Y3 C78 Y8 34.3(4) .
C78 C79 C69 118.6(6) .
C78 C79 C80 108.8(6) .
C69 C79 C80 121.2(6) .
C78 C79 Y3 81.8(3) .
C69 C79 Y3 87.0(3) .
C80 C79 Y3 66.8(3) .
C72 C80 C79 118.9(6) .
C72 C80 C76 118.7(6) .
C79 C80 C76 105.2(5) .
C72 C80 Y3 75.6(3) .
C79 C80 Y3 77.1(3) .
C76 C80 Y3 75.3(3) .
N2 C81 C1 106.0(5) .
N2 C81 H81A 110.5 .
C1 C81 H81A 110.5 .
N2 C81 H81B 110.5 .
C1 C81 H81B 110.5 .
H81A C81 H81B 108.7 .
N2 C82 C5 104.3(4) .
N2 C82 H82A 110.9 .
C5 C82 H82A 110.9 .
N2 C82 H82B 110.9 .
C5 C82 H82B 110.9 .
H82A C82 H82B 108.9 .
N2 C83 C84 112.7(5) .
N2 C83 H83A 109.1 .
C84 C83 H83A 109.1 .
N2 C83 H83B 109.0 .
C84 C83 H83B 109.0 .
H83A C83 H83B 107.8 .
C83 C84 H84A 109.5 .
C83 C84 H84B 109.5 .
H84A C84 H84B 109.5 .
C83 C84 H84C 109.5 .
H84A C84 H84C 109.5 .
H84B C84 H84C 109.5 .
S1 C85 S2 178.1(5) .
S5 C86 S4 178.4(5) .
S6 C87 S6 179.2(8) 8
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 N1 2.067(5) .
Y1 C29 2.375(6) .
Y1 C11 2.379(6) .
Y1 C12 2.428(5) .
Y1 C30 2.462(6) .
Y1 C13 2.494(6) .
Y1 C31 2.538(6) .
Y1 C10 2.600(6) .
Y1 C28 2.649(6) .
Y1 C27 2.805(6) .
Y1 C2 2.881(5) .
Y1 C41 2.929(6) .
Y2 N1 2.051(5) .
Y2 C39 2.354(6) .
Y2 C19 2.383(6) .
Y2 C38 2.429(6) .
Y2 C18 2.450(5) .
Y2 C17 2.537(6) .
Y2 C37 2.548(6) .
Y2 C20 2.607(6) .
Y2 C40 2.618(6) .
Y2 C21 2.780(6) .
Y2 C49 2.861(6) .
Y2 C4 2.946(6) .
Y3 N1 2.022(4) .
Y3 C80 2.312(6) .
Y3 C72 2.403(6) .
Y3 C76 2.411(6) .
Y3 C79 2.451(6) .
Y3 C77 2.616(6) .
Y3 C78 2.652(6) .
Y3 C75 2.668(6) .
Y3 C73 2.684(6) .
Y3 C71 2.744(6) .
Y3 C69 2.786(6) .
Y3 C74 2.834(6) .
Y4 N1 2.046(12) .
Y4 C3 2.074(13) .
Y4 C4 2.083(13) .
Y4 C18 2.397(15) .
Y4 C15 2.406(14) .
Y4 C2 2.603(15) .
Y4 C17 2.629(15) .
Y4 C16 2.635(15) .
Y4 C5 2.761(14) .
Y4 C6 2.889(15) .
Y4 C19 3.010(16) .
Y4 Y5 3.466(17) .
Y5 N1 1.971(12) .
Y5 C65 2.114(12) .
Y5 C66 2.127(12) .
Y5 C46 2.374(13) .
Y5 C67 2.389(15) .
Y5 C64 2.521(15) .
Y5 C78 2.583(14) .
Y5 C47 2.611(14) .
Y5 C48 2.646(15) .
Y5 C45 2.849(14) .
Y5 C63 2.865(16) .
Y5 C77 2.918(14) .
Y6 C57 2.048(13) .
Y6 N1 2.089(13) .
Y6 C58 2.230(15) .
Y6 C56 2.292(14) .
Y6 C26 2.296(15) .
Y6 C74 2.570(17) .
Y6 C73 2.612(16) .
Y6 C59 2.645(15) .
Y6 C27 2.687(16) .
Y6 C55 2.724(14) .
Y6 C25 2.740(16) .
Y6 C28 2.915(15) .
Y7 C16 1.976(15) .
Y7 N1 2.078(14) .
Y7 C15 2.111(15) .
Y7 C17 2.191(16) .
Y7 C3 2.368(17) .
Y7 C35 2.416(18) .
Y7 C18 2.514(16) .
Y7 C4 2.577(17) .
Y7 C37 2.690(19) .
Y7 C14 2.715(17) .
Y7 C36 2.757(19) .
Y7 C34 2.923(18) .
Y8 N1 1.916(15) .
Y8 C63 2.159(16) .
Y8 C62 2.215(16) .
Y8 C77 2.446(17) .
Y8 C61 2.48(2) .
Y8 C64 2.53(2) .
Y8 C42 2.617(18) .
Y8 C75 2.75(2) .
Y8 C76 2.815(19) .
Y8 C44 2.88(2) .
Y8 C43 2.89(2) .
Y8 C78 2.960(19) .
Y9 C24 2.052(15) .
Y9 C23 2.105(15) .
Y9 N1 2.123(15) .
Y9 C55 2.290(16) .
Y9 C22 2.385(17) .
Y9 C25 2.441(17) .
Y9 C7 2.517(16) .
Y9 C54 2.566(17) .
Y9 C53 2.601(17) .
Y9 C8 2.700(16) .
Y9 C56 2.854(17) .
Y9 C26 2.945(18) .
N2 C81 1.437(7) .
N2 C82 1.458(7) .
N2 C83 1.475(7) .
C1 C9 1.508(8) .
C1 C81 1.529(8) .
C1 C2 1.534(8) .
C1 C5 1.654(8) .
C2 C12 1.436(8) .
C2 C3 1.443(8) .
C3 C15 1.416(8) .
C3 C4 1.461(8) .
C4 C18 1.449(9) .
C4 C5 1.486(8) .
C5 C6 1.507(8) .
C5 C82 1.565(8) .
C6 C7 1.365(9) .
C6 C20 1.455(9) .
C7 C23 1.406(8) .
C7 C8 1.485(9) .
C8 C9 1.386(9) .
C8 C25 1.431(9) .
C9 C10 1.453(9) .
C10 C27 1.419(8) .
C10 C11 1.450(9) .
C11 C29 1.470(8) .
C11 C12 1.478(9) .
C12 C13 1.446(9) .
C13 C31 1.454(8) .
C13 C14 1.484(10) .
C14 C33 1.404(9) .
C14 C15 1.410(9) .
C15 C16 1.439(9) .
C16 C35 1.413(9) .
C16 C17 1.442(10) .
C17 C18 1.441(9) .
C17 C37 1.466(9) .
C18 C19 1.481(9) .
C19 C20 1.417(9) .
C19 C39 1.490(9) .
C20 C21 1.447(8) .
C21 C22 1.406(9) .
C21 C40 1.445(10) .
C22 C23 1.410(10) .
C22 C53 1.427(8) .
C23 C24 1.443(10) .
C24 C55 1.414(9) .
C24 C25 1.445(10) .
C25 C26 1.388(10) .
C26 C27 1.422(9) .
C26 C57 1.450(8) .
C27 C28 1.448(9) .
C28 C59 1.446(8) .
C28 C29 1.455(10) .
C29 C30 1.460(10) .
C30 C31 1.455(10) .
C30 C41 1.460(9) .
C31 C32 1.436(10) .
C32 C33 1.425(9) .
C32 C43 1.459(9) .
C33 C34 1.440(10) .
C34 C45 1.412(9) .
C34 C35 1.456(10) .
C35 C36 1.395(10) .
C36 C47 1.436(9) .
C36 C37 1.453(10) .
C37 C38 1.443(10) .
C38 C49 1.428(9) .
C38 C39 1.481(10) .
C39 C40 1.426(10) .
C40 C51 1.460(9) .
C41 C60 1.424(10) .
C41 C42 1.440(9) .
C42 C43 1.369(10) .
C42 C62 1.449(9) .
C43 C44 1.436(10) .
C44 C45 1.411(10) .
C44 C64 1.434(8) .
C45 C46 1.454(10) .
C46 C47 1.401(10) .
C46 C65 1.437(9) .
C47 C48 1.423(10) .
C48 C67 1.447(9) .
C48 C49 1.450(10) .
C49 C50 1.426(10) .
C50 C51 1.405(10) .
C50 C68 1.453(9) .
C51 C52 1.420(10) .
C52 C53 1.418(10) .
C52 C70 1.462(9) .
C53 C54 1.413(10) .
C54 C71 1.446(9) .
C54 C55 1.454(10) .
C55 C56 1.419(10) .
C56 C73 1.426(9) .
C56 C57 1.446(10) .
C57 C58 1.421(10) .
C58 C59 1.428(10) .
C58 C74 1.460(9) .
C59 C60 1.415(9) .
C60 C61 1.447(9) .
C61 C62 1.434(9) .
C61 C75 1.441(10) .
C62 C63 1.408(9) .
C63 C64 1.386(9) .
C63 C77 1.464(9) .
C64 C65 1.456(9) .
C65 C66 1.424(9) .
C66 C67 1.396(10) .
C66 C78 1.465(9) .
C67 C68 1.415(10) .
C68 C69 1.437(9) .
C69 C70 1.407(9) .
C69 C79 1.460(9) .
C70 C71 1.449(11) .
C71 C72 1.461(10) .
C72 C73 1.443(10) .
C72 C80 1.449(9) .
C73 C74 1.469(10) .
C74 C75 1.397(9) .
C75 C76 1.459(9) .
C76 C77 1.432(9) .
C76 C80 1.484(9) .
C77 C78 1.443(9) .
C78 C79 1.419(9) .
C79 C80 1.483(9) .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C82 H82A 0.9900 .
C82 H82B 0.9900 .
C83 C84 1.535(9) .
C83 H83A 0.9900 .
C83 H83B 0.9900 .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 S1 1.537(8) .
C85 S2 1.550(8) .
C86 S5 1.545(7) .
C86 S4 1.551(7) .
C87 S6 1.5374(19) .
C87 S6 1.5374(19) 8
