#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/92/4309225.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_4309225
loop_
_publ_author_name
'Marty W. DeGroot'
'Nicholas J. Taylor'
'John F. Corrigan'
_publ_contact_author_address
;Department of Chemistry
The University of Western Ontario
London, Ontario, Canada
N6A 5B7
;
_publ_contact_author_email       corrigan@uwo.ca
_publ_contact_author_fax         (519)661-3022
_publ_contact_author_name        'John F. Corrigan'
_publ_contact_author_phone       (519)661-2111x86387
_publ_section_title
;
Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the
Effects of Metal Ion Distribution on Their Spectral Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5447
_journal_page_last               5458
_journal_paper_doi               10.1021/ic0481576
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C181 H180 Cd17 P2 S30'
_chemical_formula_weight         5108.35
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.239(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.2588(18)
_cell_length_b                   35.9324(19)
_cell_length_c                   35.100(2)
_cell_measurement_temperature    150(2)
_cell_volume                     43208(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0778
_diffrn_reflns_av_sigmaI/netI    0.1280
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            145399
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.40
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.980
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             19296
_exptl_crystal_recrystallization_method
'overlayering reaction solution (toluene) with heptane'
_refine_diff_density_max         3.571
_refine_diff_density_min         -1.728
_refine_diff_density_rms         0.243
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.48(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.328
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     972
_refine_ls_number_reflns         75212
_refine_ls_number_restraints     343
_refine_ls_restrained_S_all      1.337
_refine_ls_R_factor_all          0.1563
_refine_ls_R_factor_gt           0.1067
_refine_ls_shift/su_max          4.090
_refine_ls_shift/su_mean         0.319
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0906P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2538
_refine_ls_wR_factor_ref         0.2758
_reflns_number_gt                45484
_reflns_number_total             75212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0481576si20041230_030536_5.cif
_cod_data_source_block           complex6
_cod_original_sg_symbol_H-M      'I 2'
_cod_original_formula_sum        'C174 H172 Cd17 P2 S30.C7H8'
_cod_database_code               4309225
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -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
Cd1 Cd 0.21762(2) 0.22897(2) 0.76884(2) 0.0274(2) Uani 1 1 d . . .
Cd2 Cd 0.22998(2) 0.11497(2) 0.74743(2) 0.0309(2) Uani 1 1 d . . .
Cd3 Cd 0.21396(3) 0.18962(2) 0.66038(2) 0.0453(3) Uani 1 1 d . . .
Cd4 Cd 0.13419(2) 0.04933(2) 0.72391(2) 0.0314(2) Uani 1 1 d . . .
Cd5 Cd 0.21555(3) 0.07713(2) 0.63938(2) 0.0499(3) Uani 1 1 d . . .
Cd6 Cd 0.24469(3) 0.00312(2) 0.72583(2) 0.0375(2) Uani 1 1 d . . .
Cd7 Cd 0.16254(3) -0.02662(2) 0.64119(2) 0.0431(3) Uani 1 1 d . . .
Cd8 Cd 0.31361(3) 0.13282(3) 0.66817(3) 0.0679(3) Uani 1 1 d . . .
Cd9 Cd 0.12320(2) 0.16416(2) 0.73241(2) 0.0326(2) Uani 1 1 d . . .
Cd10 Cd 0.14400(2) 0.10229(2) 0.82515(2) 0.0322(2) Uani 1 1 d . . .
Cd11 Cd 0.24882(2) 0.04269(2) 0.83387(2) 0.0354(2) Uani 1 1 d . . .
Cd12 Cd 0.13686(3) 0.27372(2) 0.69252(3) 0.0408(3) Uani 1 1 d . . .
Cd13 Cd 0.24588(2) 0.15616(2) 0.85476(2) 0.0344(2) Uani 1 1 d . . .
Cd14 Cd 0.32365(2) 0.18093(2) 0.77416(3) 0.0466(3) Uani 1 1 d . . .
Cd15 Cd 0.33709(3) 0.06612(2) 0.76355(4) 0.0630(4) Uani 1 1 d . . .
Cd16 Cd 0.19664(3) 0.08477(2) 0.92869(2) 0.0514(3) Uani 1 1 d . . .
Cd17 Cd 0.41971(3) 0.13498(3) 0.71999(5) 0.1257(6) Uani 1 1 d . . .
S1 S 0.20606(8) 0.06204(7) 0.70945(7) 0.0290(3) Uiso 1 1 d . . .
S2 S 0.19594(8) 0.17371(7) 0.72934(7) 0.0307(3) Uiso 1 1 d . . .
S3 S 0.30144(9) 0.12241(8) 0.73987(8) 0.0364(4) Uiso 1 1 d . . .
S4 S 0.21661(8) 0.10253(7) 0.81624(8) 0.0322(4) Uiso 1 1 d . . .
S5 S 0.21917(9) -0.04887(9) 0.68434(9) 0.0427(4) Uiso 1 1 d . . .
S6 S 0.18032(9) 0.13691(8) 0.62561(8) 0.0374(4) Uiso 1 1 d . . .
S7 S 0.22278(8) -0.01068(8) 0.79464(8) 0.0332(4) Uiso 1 1 d . . .
S8 S 0.12635(9) 0.03991(8) 0.79467(8) 0.0391(4) Uiso 1 1 d . . .
S9 S 0.28953(9) 0.07672(9) 0.63291(9) 0.0447(5) Uiso 1 1 d . . .
S10 S 0.10824(9) -0.00649(8) 0.68675(8) 0.0415(4) Uiso 1 1 d . . .
S11 S 0.28691(9) 0.19655(9) 0.65644(9) 0.0432(4) Uiso 1 1 d . . .
S12 S 0.10423(9) 0.10793(8) 0.69386(8) 0.0396(4) Uiso 1 1 d . . .
S13 S 0.20227(9) 0.21041(8) 0.83637(8) 0.0416(4) Uiso 1 1 d . . .
S14 S 0.08768(9) 0.22219(8) 0.71206(8) 0.0377(4) Uiso 1 1 d . . .
S15 S 0.31662(9) 0.01743(9) 0.71565(9) 0.0451(5) Uiso 1 1 d . . .
S16 S 0.28817(9) 0.23653(8) 0.75133(8) 0.0372(4) Uiso 1 1 d . . .
S17 S 0.17688(10) 0.24602(9) 0.63871(9) 0.0460(4) Uiso 1 1 d . . .
S18 S 0.11291(9) 0.16018(8) 0.80435(8) 0.0399(4) Uiso 1 1 d . . .
S19 S 0.18922(9) 0.02480(9) 0.59886(8) 0.0426(4) Uiso 1 1 d . . .
S20 S 0.18142(10) 0.28704(9) 0.75114(9) 0.0469(4) Uiso 1 1 d . . .
S21 S 0.31845(11) 0.15956(10) 0.84298(10) 0.0565(5) Uiso 1 1 d . . .
S22 S 0.32110(10) 0.05900(9) 0.83280(10) 0.0523(5) Uiso 1 1 d . . .
S23 S 0.41061(12) 0.07327(11) 0.75431(11) 0.0666(7) Uiso 1 1 d . . .
S24 S 0.13152(11) 0.08968(10) 0.89505(10) 0.0614(6) Uiso 1 1 d . . .
S25 S 0.11088(11) 0.33362(10) 0.66834(10) 0.0560(5) Uiso 1 1 d . . .
S26 S 0.14424(11) -0.08558(10) 0.61063(10) 0.0609(6) Uiso 1 1 d . . .
S27 S 0.38563(12) 0.14165(11) 0.65716(11) 0.0654(7) Uiso 1 1 d . . .
S28 S 0.39694(11) 0.18446(11) 0.76842(11) 0.0634(7) Uiso 1 1 d . . .
S29 S 0.24021(11) 0.03272(10) 0.90461(10) 0.0600(6) Uiso 1 1 d . . .
S30 S 0.23025(10) 0.14624(9) 0.92509(9) 0.0519(5) Uiso 1 1 d . . .
P1 P 0.19027(12) 0.06876(12) 0.99780(15) 0.1031(7) Uiso 1 1 d D . .
P2 P 0.48885(15) 0.14448(12) 0.69305(13) 0.1031(7) Uiso 1 1 d D . .
Cd18 Cd 0.27983(3) 0.26970(3) 0.23193(3) 0.0500(3) Uani 1 1 d . . .
Cd19 Cd 0.26812(3) 0.38294(3) 0.25426(2) 0.0416(3) Uani 1 1 d . . .
Cd20 Cd 0.28911(2) 0.30940(2) 0.33990(2) 0.0337(2) Uani 1 1 d . . .
Cd21 Cd 0.36449(3) 0.44937(2) 0.27225(2) 0.0399(3) Uani 1 1 d . . .
Cd22 Cd 0.28773(2) 0.42196(2) 0.36098(2) 0.0311(2) Uani 1 1 d . . .
Cd23 Cd 0.25320(3) 0.49474(2) 0.27607(2) 0.0361(2) Uani 1 1 d . . .
Cd24 Cd 0.33923(3) 0.52594(2) 0.35617(3) 0.0428(3) Uani 1 1 d . . .
Cd25 Cd 0.18960(3) 0.36645(2) 0.33826(3) 0.0431(3) Uani 1 1 d . . .
Cd26 Cd 0.37602(3) 0.33458(2) 0.26385(2) 0.0374(2) Uani 1 1 d . . .
Cd27 Cd 0.35102(3) 0.39748(3) 0.17180(2) 0.0526(3) Uani 1 1 d . . .
Cd28 Cd 0.24311(3) 0.45487(3) 0.16856(2) 0.0503(3) Uani 1 1 d . . .
Cd29 Cd 0.36436(3) 0.22466(3) 0.30396(3) 0.0432(3) Uani 1 1 d . . .
Cd30 Cd 0.24688(3) 0.34121(3) 0.14859(3) 0.0613(3) Uani 1 1 d . . .
Cd31 Cd 0.17325(3) 0.31702(3) 0.23376(3) 0.0603(3) Uani 1 1 d . . .
Cd32 Cd 0.15922(3) 0.43192(3) 0.24370(3) 0.0439(3) Uani 1 1 d . . .
Cd33 Cd 0.29174(3) 0.41161(4) 0.07070(3) 0.0804(4) Uani 1 1 d . . .
Cd34 Cd 0.08042(3) 0.36202(3) 0.29157(4) 0.0759(4) Uani 1 1 d . . .
S31 S 0.29362(8) 0.43759(8) 0.29092(7) 0.0290(3) Uiso 1 1 d . . .
S32 S 0.30253(8) 0.32508(8) 0.27148(8) 0.0307(3) Uiso 1 1 d . . .
S33 S 0.19751(9) 0.37497(8) 0.26815(8) 0.0364(4) Uiso 1 1 d . . .
S34 S 0.27736(8) 0.39347(8) 0.18496(8) 0.0322(4) Uiso 1 1 d . . .
S35 S 0.28086(9) 0.54802(9) 0.31511(9) 0.0427(4) Uiso 1 1 d . . .
S36 S 0.32499(9) 0.36261(8) 0.37471(8) 0.0374(4) Uiso 1 1 d . . .
S37 S 0.27138(8) 0.50643(8) 0.20747(8) 0.0332(4) Uiso 1 1 d . . .
S38 S 0.36953(9) 0.45855(8) 0.20124(8) 0.0391(4) Uiso 1 1 d . . .
S39 S 0.21497(9) 0.42285(9) 0.37376(9) 0.0447(5) Uiso 1 1 d . . .
S40 S 0.39039(9) 0.50529(9) 0.30762(9) 0.0415(4) Uiso 1 1 d . . .
S41 S 0.21777(9) 0.30069(9) 0.34999(9) 0.0432(4) Uiso 1 1 d . . .
S42 S 0.39540(9) 0.39158(9) 0.30162(8) 0.0396(4) Uiso 1 1 d . . .
S43 S 0.29488(9) 0.28926(9) 0.16348(9) 0.0416(4) Uiso 1 1 d . . .
S44 S 0.41261(9) 0.27519(8) 0.28178(8) 0.0377(4) Uiso 1 1 d . . .
S45 S 0.18361(10) 0.48029(9) 0.29255(9) 0.0451(5) Uiso 1 1 d . . .
S46 S 0.21006(9) 0.26042(8) 0.25719(8) 0.0372(4) Uiso 1 1 d . . .
S47 S 0.32582(10) 0.25198(9) 0.35946(9) 0.0460(4) Uiso 1 1 d . . .
S48 S 0.38358(9) 0.33644(8) 0.19097(8) 0.0399(4) Uiso 1 1 d . . .
S49 S 0.31595(9) 0.47430(9) 0.40187(9) 0.0426(4) Uiso 1 1 d . . .
S50 S 0.31787(10) 0.21097(9) 0.24886(9) 0.0469(4) Uiso 1 1 d . . .
S51 S 0.17677(11) 0.33804(10) 0.16461(10) 0.0565(5) Uiso 1 1 d . . .
S52 S 0.17066(10) 0.43833(10) 0.17452(10) 0.0523(5) Uiso 1 1 d . . .
S53 S 0.08809(12) 0.42478(11) 0.26103(11) 0.0666(7) Uiso 1 1 d . . .
S54 S 0.36169(11) 0.41240(11) 0.10245(11) 0.0614(6) Uiso 1 1 d . . .
S55 S 0.39186(11) 0.16511(10) 0.32549(10) 0.0560(5) Uiso 1 1 d . . .
S56 S 0.36138(11) 0.58448(11) 0.38671(11) 0.0609(6) Uiso 1 1 d . . .
S57 S 0.11919(12) 0.35527(11) 0.35639(11) 0.0654(7) Uiso 1 1 d . . .
S58 S 0.10068(11) 0.31249(11) 0.24612(11) 0.0634(7) Uiso 1 1 d . . .
S59 S 0.25158(11) 0.46627(11) 0.09851(11) 0.0600(6) Uiso 1 1 d . . .
S60 S 0.25796(10) 0.35064(10) 0.07791(10) 0.0519(5) Uiso 1 1 d . . .
P3 P 0.29645(12) 0.42763(12) -0.00020(15) 0.1031(7) Uiso 1 1 d D . .
P4 P 0.00644(15) 0.35666(12) 0.29820(13) 0.1031(7) Uiso 1 1 d D . .
C1 C 0.25759(18) -0.0572(2) 0.65134(17) 0.0509(4) Uiso 1 1 d G . .
C2 C 0.2784(2) -0.0282(2) 0.6347(2) 0.0641(3) Uiso 1 1 d G . .
C3 C 0.3075(3) -0.0360(3) 0.6083(3) 0.0810(4) Uiso 1 1 d G . .
C4 C 0.3157(3) -0.0727(4) 0.5987(3) 0.0811(6) Uiso 1 1 d G . .
C5 C 0.2949(3) -0.1016(3) 0.6153(3) 0.0810(4) Uiso 1 1 d G . .
C6 C 0.2659(3) -0.09382(19) 0.6417(2) 0.0641(3) Uiso 1 1 d G . .
C7 C 0.18559(19) 0.15030(18) 0.57668(18) 0.0509(4) Uiso 1 1 d G . .
C8 C 0.2123(2) 0.1323(2) 0.5534(2) 0.0641(3) Uiso 1 1 d G . .
C9 C 0.2161(3) 0.1428(3) 0.5155(2) 0.0810(4) Uiso 1 1 d G . .
C10 C 0.1931(3) 0.1713(3) 0.5008(2) 0.0811(6) Uiso 1 1 d G . .
C11 C 0.1664(3) 0.1893(3) 0.5241(2) 0.0810(4) Uiso 1 1 d G . .
C12 C 0.1626(2) 0.1788(2) 0.5620(2) 0.0641(3) Uiso 1 1 d G . .
C13 C 0.25008(19) -0.04996(18) 0.80918(19) 0.0509(4) Uiso 1 1 d G . .
C14 C 0.2734(2) -0.0508(2) 0.8417(2) 0.0641(3) Uiso 1 1 d G . .
C15 C 0.2923(3) -0.0835(3) 0.8521(3) 0.0810(4) Uiso 1 1 d G . .
C16 C 0.2879(3) -0.1153(2) 0.8300(3) 0.0811(6) Uiso 1 1 d G . .
C17 C 0.2646(3) -0.1145(2) 0.7975(3) 0.0810(4) Uiso 1 1 d G . .
C18 C 0.2457(2) -0.0818(2) 0.7871(2) 0.0641(3) Uiso 1 1 d G . .
C19 C 0.0759(2) 0.03382(17) 0.80651(19) 0.0509(4) Uiso 1 1 d G . .
C20 C 0.0459(2) 0.0370(2) 0.7798(2) 0.0641(3) Uiso 1 1 d G . .
C21 C 0.0073(2) 0.0332(3) 0.7911(3) 0.0810(4) Uiso 1 1 d G . .
C22 C -0.0014(2) 0.0262(3) 0.8291(3) 0.0811(6) Uiso 1 1 d G . .
C23 C 0.0285(3) 0.0230(3) 0.8558(2) 0.0810(4) Uiso 1 1 d G . .
C24 C 0.0671(2) 0.0268(3) 0.84448(19) 0.0641(3) Uiso 1 1 d G . .
C25 C 0.29546(19) 0.08786(19) 0.58114(18) 0.0509(4) Uiso 1 1 d G . .
C26 C 0.3168(3) 0.1187(2) 0.5695(2) 0.0641(3) Uiso 1 1 d G . .
C27 C 0.3272(3) 0.1225(3) 0.5314(2) 0.0810(4) Uiso 1 1 d G . .
C28 C 0.3163(3) 0.0955(3) 0.50509(19) 0.0811(6) Uiso 1 1 d G . .
C29 C 0.2949(3) 0.0647(3) 0.5168(2) 0.0810(4) Uiso 1 1 d G . .
C30 C 0.2845(3) 0.0609(2) 0.5548(2) 0.0641(3) Uiso 1 1 d G . .
C31 C 0.11247(19) -0.04863(18) 0.71665(18) 0.0509(4) Uiso 1 1 d G . .
C32 C 0.1350(2) -0.0504(2) 0.7496(2) 0.0641(3) Uiso 1 1 d G . .
C33 C 0.1398(3) -0.0842(3) 0.7684(2) 0.0810(4) Uiso 1 1 d G . .
C34 C 0.1220(4) -0.1161(2) 0.7543(3) 0.0811(6) Uiso 1 1 d G . .
C35 C 0.0995(3) -0.11431(19) 0.7213(3) 0.0810(4) Uiso 1 1 d G . .
C36 C 0.0947(2) -0.0806(2) 0.7025(2) 0.0641(3) Uiso 1 1 d G . .
C37 C 0.2967(2) 0.20826(17) 0.60541(18) 0.0509(4) Uiso 1 1 d G . .
C38 C 0.2688(2) 0.2108(2) 0.5767(2) 0.0641(3) Uiso 1 1 d G . .
C39 C 0.2799(3) 0.2209(3) 0.5400(2) 0.0810(4) Uiso 1 1 d G . .
C40 C 0.3188(3) 0.2284(3) 0.5321(2) 0.0811(6) Uiso 1 1 d G . .
C41 C 0.3467(3) 0.2258(3) 0.5609(3) 0.0810(4) Uiso 1 1 d G . .
C42 C 0.3356(2) 0.2158(3) 0.5975(2) 0.0641(3) Uiso 1 1 d G . .
C43 C 0.05110(19) 0.10091(19) 0.70348(18) 0.0509(4) Uiso 1 1 d G . .
C44 C 0.0296(2) 0.1233(2) 0.7279(2) 0.0641(3) Uiso 1 1 d G . .
C45 C -0.0103(2) 0.1176(3) 0.7318(3) 0.0810(4) Uiso 1 1 d G . .
C46 C -0.0287(2) 0.0896(3) 0.7112(3) 0.0811(6) Uiso 1 1 d G . .
C47 C -0.0072(2) 0.0672(3) 0.6868(3) 0.0810(4) Uiso 1 1 d G . .
C48 C 0.0327(2) 0.0728(2) 0.6829(2) 0.0641(3) Uiso 1 1 d G . .
C49 C 0.21496(19) 0.24508(18) 0.86952(18) 0.0509(4) Uiso 1 1 d G . .
C50 C 0.2006(2) 0.2424(2) 0.9064(2) 0.0641(3) Uiso 1 1 d G . .
C51 C 0.2075(3) 0.2708(3) 0.9324(2) 0.0810(4) Uiso 1 1 d G . .
C52 C 0.2288(4) 0.3019(3) 0.9216(3) 0.0811(6) Uiso 1 1 d G . .
C53 C 0.2432(3) 0.3047(2) 0.8847(3) 0.0810(4) Uiso 1 1 d G . .
C54 C 0.2363(2) 0.2762(2) 0.8587(2) 0.0641(3) Uiso 1 1 d G . .
C55 C 0.0645(2) 0.20961(18) 0.67055(18) 0.0509(4) Uiso 1 1 d G . .
C56 C 0.0844(2) 0.1926(2) 0.6408(2) 0.0641(3) Uiso 1 1 d G . .
C57 C 0.0639(3) 0.1788(3) 0.6096(2) 0.0810(4) Uiso 1 1 d G . .
C58 C 0.0235(3) 0.1819(3) 0.6082(2) 0.0811(6) Uiso 1 1 d G . .
C59 C 0.0036(2) 0.1989(3) 0.6379(3) 0.0810(4) Uiso 1 1 d G . .
C60 C 0.0241(2) 0.2128(2) 0.6691(2) 0.0641(3) Uiso 1 1 d G . .
C61 C 0.3459(2) -0.02209(18) 0.72910(18) 0.0509(4) Uiso 1 1 d G . .
C62 C 0.3287(2) -0.0523(2) 0.7472(2) 0.0641(3) Uiso 1 1 d G . .
C63 C 0.3509(3) -0.0835(2) 0.7561(3) 0.0810(4) Uiso 1 1 d G . .
C64 C 0.3904(3) -0.0845(2) 0.7469(3) 0.0811(6) Uiso 1 1 d G . .
C65 C 0.4076(2) -0.0543(3) 0.7288(3) 0.0810(4) Uiso 1 1 d G . .
C66 C 0.3853(2) -0.0231(2) 0.7199(2) 0.0641(3) Uiso 1 1 d G . .
C67 C 0.30277(19) 0.27697(18) 0.77650(18) 0.0509(4) Uiso 1 1 d G . .
C68 C 0.2867(2) 0.3114(2) 0.7677(2) 0.0641(3) Uiso 1 1 d G . .
C69 C 0.2973(3) 0.34270(19) 0.7886(3) 0.0810(4) Uiso 1 1 d G . .
C70 C 0.3239(4) 0.3395(2) 0.8184(3) 0.0811(6) Uiso 1 1 d G . .
C71 C 0.3400(3) 0.3050(3) 0.8273(3) 0.0810(4) Uiso 1 1 d G . .
C72 C 0.3294(2) 0.2737(2) 0.8063(2) 0.0641(3) Uiso 1 1 d G . .
C73 C 0.21434(19) 0.28179(18) 0.62859(19) 0.0509(4) Uiso 1 1 d G . .
C74 C 0.2128(2) 0.3019(2) 0.5948(2) 0.0641(3) Uiso 1 1 d G . .
C75 C 0.2425(3) 0.3267(3) 0.5858(3) 0.0810(4) Uiso 1 1 d G . .
C76 C 0.2738(3) 0.3314(3) 0.6107(4) 0.0811(6) Uiso 1 1 d G . .
C77 C 0.2754(2) 0.3113(3) 0.6445(3) 0.0810(4) Uiso 1 1 d G . .
C78 C 0.2457(2) 0.2865(2) 0.6534(2) 0.0641(3) Uiso 1 1 d G . .
C79 C 0.06224(19) 0.15795(19) 0.81630(17) 0.0509(4) Uiso 1 1 d G . .
C80 C 0.0447(2) 0.1270(2) 0.8327(3) 0.0641(3) Uiso 1 1 d G . .
C81 C 0.0057(2) 0.1284(3) 0.8434(3) 0.0810(4) Uiso 1 1 d G . .
C82 C -0.0158(2) 0.1608(3) 0.8376(3) 0.0811(6) Uiso 1 1 d G . .
C83 C 0.0018(2) 0.1917(3) 0.8212(3) 0.0810(4) Uiso 1 1 d G . .
C84 C 0.0408(2) 0.1903(2) 0.8105(3) 0.0641(3) Uiso 1 1 d G . .
C85 C 0.15038(19) 0.04938(18) 0.57862(19) 0.0509(4) Uiso 1 1 d G . .
C86 C 0.1541(2) 0.0607(2) 0.5409(2) 0.0641(3) Uiso 1 1 d G . .
C87 C 0.1241(3) 0.0805(3) 0.5234(2) 0.0810(4) Uiso 1 1 d G . .
C88 C 0.0905(3) 0.0890(3) 0.5436(3) 0.0811(6) Uiso 1 1 d G . .
C89 C 0.0867(2) 0.0776(3) 0.5813(3) 0.0810(4) Uiso 1 1 d G . .
C90 C 0.1167(2) 0.0579(2) 0.5988(2) 0.0641(3) Uiso 1 1 d G . .
C91 C 0.15239(18) 0.29497(19) 0.78929(18) 0.0509(4) Uiso 1 1 d G . .
C92 C 0.1300(2) 0.2667(2) 0.8050(2) 0.0641(3) Uiso 1 1 d G . .
C93 C 0.1074(3) 0.2736(3) 0.8370(2) 0.0810(4) Uiso 1 1 d G . .
C94 C 0.1072(3) 0.3088(4) 0.8533(2) 0.0811(6) Uiso 1 1 d G . .
C95 C 0.1296(3) 0.3372(3) 0.8376(3) 0.0810(4) Uiso 1 1 d G . .
C96 C 0.1522(3) 0.33022(19) 0.8056(2) 0.0641(3) Uiso 1 1 d G . .
C97 C 0.3375(2) 0.19689(18) 0.87081(18) 0.0509(4) Uiso 1 1 d G . .
C98 C 0.3134(2) 0.2164(2) 0.8955(2) 0.0641(3) Uiso 1 1 d G . .
C99 C 0.3287(3) 0.2446(2) 0.9182(2) 0.0810(4) Uiso 1 1 d G . .
C100 C 0.3682(4) 0.2532(3) 0.9162(3) 0.0811(6) Uiso 1 1 d G . .
C101 C 0.3923(3) 0.2337(3) 0.8916(3) 0.0810(4) Uiso 1 1 d G . .
C102 C 0.3770(2) 0.2056(2) 0.8689(2) 0.0641(3) Uiso 1 1 d G . .
C103 C 0.34931(19) 0.02089(18) 0.84587(19) 0.0509(4) Uiso 1 1 d G . .
C104 C 0.3653(2) -0.0045(2) 0.8204(2) 0.0641(3) Uiso 1 1 d G . .
C105 C 0.3848(3) -0.0358(2) 0.8340(3) 0.0810(4) Uiso 1 1 d G . .
C106 C 0.3883(3) -0.0416(2) 0.8730(3) 0.0811(6) Uiso 1 1 d G . .
C107 C 0.3724(3) -0.0162(3) 0.8984(2) 0.0810(4) Uiso 1 1 d G . .
C108 C 0.3529(3) 0.0150(2) 0.88487(19) 0.0641(3) Uiso 1 1 d G . .
C109 C 0.42928(19) 0.08001(18) 0.80226(18) 0.0509(4) Uiso 1 1 d G . .
C110 C 0.4118(2) 0.1048(2) 0.8274(2) 0.0641(3) Uiso 1 1 d G . .
C111 C 0.4276(3) 0.1103(3) 0.8634(2) 0.0810(4) Uiso 1 1 d G . .
C112 C 0.4610(3) 0.0910(3) 0.8744(2) 0.0811(6) Uiso 1 1 d G . .
C113 C 0.4785(3) 0.0663(3) 0.8493(3) 0.0810(4) Uiso 1 1 d G . .
C114 C 0.4627(2) 0.0608(2) 0.8133(2) 0.0641(3) Uiso 1 1 d G . .
C115 C 0.11237(19) 0.13382(18) 0.91567(18) 0.0509(4) Uiso 1 1 d G . .
C116 C 0.1218(2) 0.1690(2) 0.9019(2) 0.0641(3) Uiso 1 1 d G . .
C117 C 0.1051(3) 0.20042(18) 0.9181(3) 0.0810(4) Uiso 1 1 d G . .
C118 C 0.0788(3) 0.1968(2) 0.9480(3) 0.0811(6) Uiso 1 1 d G . .
C119 C 0.0694(3) 0.1616(3) 0.9617(3) 0.0810(4) Uiso 1 1 d G . .
C120 C 0.0861(2) 0.1302(2) 0.9455(2) 0.0641(3) Uiso 1 1 d G . .
C121 C 0.10592(18) 0.32502(19) 0.61677(18) 0.0509(4) Uiso 1 1 d G . .
C122 C 0.1170(3) 0.3523(2) 0.5909(2) 0.0641(3) Uiso 1 1 d G . .
C123 C 0.1136(3) 0.3457(3) 0.5520(2) 0.0810(4) Uiso 1 1 d G . .
C124 C 0.0992(3) 0.3119(3) 0.53898(19) 0.0811(6) Uiso 1 1 d G . .
C125 C 0.0881(3) 0.2846(3) 0.5648(2) 0.0810(4) Uiso 1 1 d G . .
C126 C 0.0915(3) 0.2912(2) 0.6037(2) 0.0641(3) Uiso 1 1 d G . .
C127 C 0.09236(19) -0.0747(2) 0.58919(17) 0.0509(4) Uiso 1 1 d G . .
C128 C 0.0797(2) -0.03826(19) 0.5842(3) 0.0641(3) Uiso 1 1 d G . .
C129 C 0.0449(3) -0.0311(3) 0.5652(3) 0.0810(4) Uiso 1 1 d G . .
C130 C 0.0227(2) -0.0604(4) 0.5510(3) 0.0811(6) Uiso 1 1 d G . .
C131 C 0.0353(2) -0.0969(3) 0.5560(3) 0.0810(4) Uiso 1 1 d G . .
C132 C 0.0702(2) -0.1040(2) 0.5750(2) 0.0641(3) Uiso 1 1 d G . .
C133 C 0.39782(18) 0.10043(19) 0.63072(18) 0.0509(4) Uiso 1 1 d G . .
C134 C 0.3912(2) 0.0646(2) 0.6441(2) 0.0641(3) Uiso 1 1 d G . .
C135 C 0.4010(3) 0.03407(18) 0.6217(3) 0.0810(4) Uiso 1 1 d G . .
C136 C 0.4175(3) 0.0394(2) 0.5860(3) 0.0811(6) Uiso 1 1 d G . .
C137 C 0.4241(3) 0.0753(3) 0.5727(2) 0.0810(4) Uiso 1 1 d G . .
C138 C 0.4143(2) 0.1058(2) 0.5950(2) 0.0641(3) Uiso 1 1 d G . .
C139 C 0.40598(19) 0.22691(18) 0.74487(18) 0.0509(4) Uiso 1 1 d G . .
C140 C 0.4325(2) 0.2515(2) 0.7613(2) 0.0641(3) Uiso 1 1 d G . .
C141 C 0.4395(3) 0.2858(2) 0.7443(3) 0.0810(4) Uiso 1 1 d G . .
C142 C 0.4201(4) 0.2955(2) 0.7109(3) 0.0811(6) Uiso 1 1 d G . .
C143 C 0.3936(3) 0.2709(3) 0.6945(2) 0.0810(4) Uiso 1 1 d G . .
C144 C 0.3865(2) 0.2366(2) 0.7115(2) 0.0641(3) Uiso 1 1 d G . .
C145 C 0.20651(19) -0.00716(18) 0.90728(18) 0.0509(4) Uiso 1 1 d G . .
C146 C 0.1731(2) -0.0107(2) 0.8850(2) 0.0641(3) Uiso 1 1 d G . .
C147 C 0.1492(2) -0.0417(3) 0.8889(3) 0.0810(4) Uiso 1 1 d G . .
C148 C 0.1588(3) -0.0692(2) 0.9152(3) 0.0811(6) Uiso 1 1 d G . .
C149 C 0.1922(3) -0.0657(2) 0.9375(3) 0.0810(4) Uiso 1 1 d G . .
C150 C 0.2161(2) -0.0347(2) 0.9335(2) 0.0641(3) Uiso 1 1 d G . .
C151 C 0.27732(19) 0.14115(18) 0.94657(18) 0.0509(4) Uiso 1 1 d G . .
C152 C 0.3064(2) 0.1184(2) 0.9319(2) 0.0641(3) Uiso 1 1 d G . .
C153 C 0.3414(2) 0.1139(3) 0.9516(3) 0.0810(4) Uiso 1 1 d G . .
C154 C 0.3472(2) 0.1322(3) 0.9860(3) 0.0811(6) Uiso 1 1 d G . .
C155 C 0.3181(3) 0.1550(3) 1.0008(2) 0.0810(4) Uiso 1 1 d G . .
C156 C 0.2832(2) 0.1594(2) 0.9810(2) 0.0641(3) Uiso 1 1 d G . .
C201 C 0.24323(19) 0.5570(2) 0.35191(18) 0.0509(4) Uiso 1 1 d G . .
C202 C 0.2204(2) 0.5294(2) 0.3684(2) 0.0641(3) Uiso 1 1 d G . .
C203 C 0.1909(3) 0.5390(3) 0.3936(3) 0.0810(4) Uiso 1 1 d G . .
C204 C 0.1842(3) 0.5762(4) 0.4023(3) 0.0811(6) Uiso 1 1 d G . .
C205 C 0.2070(3) 0.6038(3) 0.3858(3) 0.0810(4) Uiso 1 1 d G . .
C206 C 0.2365(3) 0.5941(2) 0.3606(3) 0.0641(3) Uiso 1 1 d G . .
C207 C 0.32082(19) 0.35063(19) 0.42386(18) 0.0509(4) Uiso 1 1 d G . .
C208 C 0.2964(2) 0.3694(2) 0.4489(2) 0.0641(3) Uiso 1 1 d G . .
C209 C 0.2947(3) 0.3587(3) 0.4869(2) 0.0810(4) Uiso 1 1 d G . .
C210 C 0.3175(3) 0.3292(3) 0.4999(2) 0.0811(6) Uiso 1 1 d G . .
C211 C 0.3419(3) 0.3105(3) 0.4748(3) 0.0810(4) Uiso 1 1 d G . .
C212 C 0.3436(3) 0.3212(2) 0.4368(2) 0.0641(3) Uiso 1 1 d G . .
C213 C 0.24567(19) 0.54862(19) 0.19307(19) 0.0509(4) Uiso 1 1 d G . .
C214 C 0.2229(2) 0.5487(2) 0.1602(2) 0.0641(3) Uiso 1 1 d G . .
C215 C 0.2041(3) 0.5812(3) 0.1488(3) 0.0810(4) Uiso 1 1 d G . .
C216 C 0.2080(3) 0.6135(2) 0.1703(3) 0.0811(6) Uiso 1 1 d G . .
C217 C 0.2307(3) 0.6133(2) 0.2031(3) 0.0810(4) Uiso 1 1 d G . .
C218 C 0.2496(3) 0.5809(2) 0.2145(2) 0.0641(3) Uiso 1 1 d G . .
C219 C 0.4196(2) 0.46549(18) 0.18713(19) 0.0509(4) Uiso 1 1 d G . .
C220 C 0.4505(2) 0.4616(3) 0.2127(2) 0.0641(3) Uiso 1 1 d G . .
C221 C 0.4887(2) 0.4645(3) 0.1999(3) 0.0810(4) Uiso 1 1 d G . .
C222 C 0.4961(2) 0.4714(3) 0.1617(3) 0.0811(6) Uiso 1 1 d G . .
C223 C 0.4653(3) 0.4753(3) 0.1361(2) 0.0810(4) Uiso 1 1 d G . .
C224 C 0.4270(2) 0.4724(3) 0.14887(19) 0.0641(3) Uiso 1 1 d G . .
C225 C 0.20325(18) 0.41719(19) 0.42140(18) 0.0509(4) Uiso 1 1 d G . .
C226 C 0.1896(3) 0.3841(2) 0.4369(2) 0.0641(3) Uiso 1 1 d G . .
C227 C 0.1861(3) 0.3804(3) 0.4761(2) 0.0810(4) Uiso 1 1 d G . .
C228 C 0.1963(3) 0.4098(3) 0.49992(18) 0.0811(6) Uiso 1 1 d G . .
C229 C 0.2100(3) 0.4429(3) 0.4844(2) 0.0810(4) Uiso 1 1 d G . .
C230 C 0.2135(3) 0.4466(2) 0.4452(2) 0.0641(3) Uiso 1 1 d G . .
C231 C 0.3860(2) 0.54672(19) 0.28031(19) 0.0509(4) Uiso 1 1 d G . .
C232 C 0.4036(2) 0.5793(2) 0.2931(2) 0.0641(3) Uiso 1 1 d G . .
C233 C 0.3989(3) 0.6122(2) 0.2728(3) 0.0810(4) Uiso 1 1 d G . .
C234 C 0.3765(4) 0.6125(2) 0.2396(3) 0.0811(6) Uiso 1 1 d G . .
C235 C 0.3590(3) 0.5799(3) 0.2268(2) 0.0810(4) Uiso 1 1 d G . .
C236 C 0.3637(2) 0.5470(2) 0.2471(2) 0.0641(3) Uiso 1 1 d G . .
C237 C 0.2078(2) 0.28992(18) 0.39730(18) 0.0509(4) Uiso 1 1 d G . .
C238 C 0.2374(2) 0.2876(3) 0.4243(2) 0.0641(3) Uiso 1 1 d G . .
C239 C 0.2286(3) 0.2789(3) 0.4619(2) 0.0810(4) Uiso 1 1 d G . .
C240 C 0.1902(4) 0.2725(3) 0.4725(2) 0.0811(6) Uiso 1 1 d G . .
C241 C 0.1605(3) 0.2748(3) 0.4455(3) 0.0810(4) Uiso 1 1 d G . .
C242 C 0.1693(2) 0.2835(3) 0.4079(2) 0.0641(3) Uiso 1 1 d G . .
C243 C 0.4462(2) 0.39837(19) 0.29644(19) 0.0509(4) Uiso 1 1 d G . .
C244 C 0.4664(2) 0.3770(2) 0.2700(2) 0.0641(3) Uiso 1 1 d G . .
C245 C 0.5060(2) 0.3830(3) 0.2642(3) 0.0810(4) Uiso 1 1 d G . .
C246 C 0.5254(2) 0.4105(3) 0.2848(3) 0.0811(6) Uiso 1 1 d G . .
C247 C 0.5053(3) 0.4318(3) 0.3112(3) 0.0810(4) Uiso 1 1 d G . .
C248 C 0.4657(2) 0.4258(2) 0.3170(2) 0.0641(3) Uiso 1 1 d G . .
C249 C 0.2802(2) 0.25290(19) 0.13180(19) 0.0509(4) Uiso 1 1 d G . .
C250 C 0.2575(2) 0.2229(2) 0.1434(2) 0.0641(3) Uiso 1 1 d G . .
C251 C 0.2462(3) 0.1960(2) 0.1172(3) 0.0810(4) Uiso 1 1 d G . .
C252 C 0.2575(4) 0.1990(3) 0.0793(3) 0.0811(6) Uiso 1 1 d G . .
C253 C 0.2802(3) 0.2290(3) 0.0677(2) 0.0810(4) Uiso 1 1 d G . .
C254 C 0.2915(3) 0.2559(2) 0.0939(2) 0.0641(3) Uiso 1 1 d G . .
C255 C 0.4376(2) 0.29192(18) 0.32336(19) 0.0509(4) Uiso 1 1 d G . .
C256 C 0.4176(2) 0.3070(2) 0.3541(2) 0.0641(3) Uiso 1 1 d G . .
C257 C 0.4381(3) 0.3212(3) 0.3851(2) 0.0810(4) Uiso 1 1 d G . .
C258 C 0.4787(3) 0.3203(3) 0.3853(3) 0.0811(6) Uiso 1 1 d G . .
C259 C 0.4987(2) 0.3052(3) 0.3546(3) 0.0810(4) Uiso 1 1 d G . .
C260 C 0.4781(2) 0.2910(3) 0.3237(2) 0.0641(3) Uiso 1 1 d G . .
C261 C 0.1566(2) 0.52169(18) 0.28294(18) 0.0509(4) Uiso 1 1 d G . .
C262 C 0.1711(2) 0.5530(2) 0.2646(2) 0.0641(3) Uiso 1 1 d G . .
C263 C 0.1481(3) 0.5847(2) 0.2610(3) 0.0810(4) Uiso 1 1 d G . .
C264 C 0.1105(3) 0.5850(2) 0.2758(3) 0.0811(6) Uiso 1 1 d G . .
C265 C 0.0959(2) 0.5537(3) 0.2941(3) 0.0810(4) Uiso 1 1 d G . .
C266 C 0.1190(2) 0.5220(2) 0.2977(2) 0.0641(3) Uiso 1 1 d G . .
C267 C 0.1938(2) 0.22284(19) 0.22782(19) 0.0509(4) Uiso 1 1 d G . .
C268 C 0.2121(2) 0.1890(2) 0.2345(2) 0.0641(3) Uiso 1 1 d G . .
C269 C 0.2008(3) 0.1575(2) 0.2142(3) 0.0810(4) Uiso 1 1 d G . .
C270 C 0.1710(4) 0.1600(3) 0.1873(3) 0.0811(6) Uiso 1 1 d G . .
C271 C 0.1526(3) 0.1938(3) 0.1806(3) 0.0810(4) Uiso 1 1 d G . .
C272 C 0.1640(2) 0.2253(2) 0.2009(2) 0.0641(3) Uiso 1 1 d G . .
C273 C 0.2891(2) 0.21849(19) 0.37108(19) 0.0509(4) Uiso 1 1 d G . .
C274 C 0.2564(2) 0.2107(2) 0.3489(2) 0.0641(3) Uiso 1 1 d G . .
C275 C 0.2295(2) 0.1843(3) 0.3610(3) 0.0810(4) Uiso 1 1 d G . .
C276 C 0.2353(3) 0.1657(3) 0.3953(4) 0.0811(6) Uiso 1 1 d G . .
C277 C 0.2680(3) 0.1735(3) 0.4175(3) 0.0810(4) Uiso 1 1 d G . .
C278 C 0.2949(3) 0.1999(2) 0.4054(2) 0.0641(3) Uiso 1 1 d G . .
C279 C 0.43466(19) 0.3386(2) 0.18101(18) 0.0509(4) Uiso 1 1 d G . .
C280 C 0.4506(2) 0.3691(2) 0.1622(2) 0.0641(3) Uiso 1 1 d G . .
C281 C 0.4894(3) 0.3684(3) 0.1509(3) 0.0810(4) Uiso 1 1 d G . .
C282 C 0.5123(2) 0.3373(4) 0.1584(3) 0.0811(6) Uiso 1 1 d G . .
C283 C 0.4964(2) 0.3069(3) 0.1773(3) 0.0810(4) Uiso 1 1 d G . .
C284 C 0.4576(2) 0.3075(2) 0.1885(3) 0.0641(3) Uiso 1 1 d G . .
C285 C 0.35906(19) 0.45244(18) 0.4210(2) 0.0509(4) Uiso 1 1 d G . .
C286 C 0.3585(2) 0.4417(2) 0.4590(2) 0.0641(3) Uiso 1 1 d G . .
C287 C 0.3894(3) 0.4214(3) 0.4742(2) 0.0810(4) Uiso 1 1 d G . .
C288 C 0.4209(3) 0.4119(3) 0.4513(3) 0.0811(6) Uiso 1 1 d G . .
C289 C 0.4215(2) 0.4226(3) 0.4133(3) 0.0810(4) Uiso 1 1 d G . .
C290 C 0.3905(2) 0.4429(2) 0.3981(2) 0.0641(3) Uiso 1 1 d G . .
C291 C 0.34853(19) 0.20812(19) 0.20415(18) 0.0509(4) Uiso 1 1 d G . .
C292 C 0.3723(2) 0.2371(2) 0.1920(2) 0.0641(3) Uiso 1 1 d G . .
C293 C 0.3923(3) 0.2342(3) 0.1577(3) 0.0810(4) Uiso 1 1 d G . .
C294 C 0.3884(3) 0.2023(3) 0.1356(2) 0.0811(6) Uiso 1 1 d G . .
C295 C 0.3646(3) 0.1733(3) 0.1477(2) 0.0810(4) Uiso 1 1 d G . .
C296 C 0.3447(3) 0.1763(2) 0.1820(2) 0.0641(3) Uiso 1 1 d G . .
C297 C 0.1577(2) 0.30296(18) 0.13654(18) 0.0509(4) Uiso 1 1 d G . .
C298 C 0.1790(2) 0.2826(2) 0.1101(2) 0.0641(3) Uiso 1 1 d G . .
C299 C 0.1611(3) 0.2541(2) 0.0897(3) 0.0810(4) Uiso 1 1 d G . .
C300 C 0.1219(3) 0.2461(3) 0.0957(3) 0.0811(6) Uiso 1 1 d G . .
C301 C 0.1006(2) 0.2664(3) 0.1221(3) 0.0810(4) Uiso 1 1 d G . .
C302 C 0.1185(2) 0.2949(2) 0.1425(2) 0.0641(3) Uiso 1 1 d G . .
C303 C 0.14752(19) 0.47715(18) 0.1522(2) 0.0509(4) Uiso 1 1 d G . .
C304 C 0.1247(2) 0.5012(2) 0.1737(2) 0.0641(3) Uiso 1 1 d G . .
C305 C 0.1042(3) 0.5298(2) 0.1559(3) 0.0810(4) Uiso 1 1 d G . .
C306 C 0.1065(3) 0.5343(3) 0.1166(3) 0.0811(6) Uiso 1 1 d G . .
C307 C 0.1293(3) 0.5102(3) 0.0951(2) 0.0810(4) Uiso 1 1 d G . .
C308 C 0.1498(3) 0.4816(2) 0.1129(2) 0.0641(3) Uiso 1 1 d G . .
C309 C 0.0667(2) 0.41735(18) 0.21382(18) 0.0509(4) Uiso 1 1 d G . .
C310 C 0.0825(2) 0.3946(2) 0.1858(2) 0.0641(3) Uiso 1 1 d G . .
C311 C 0.0613(3) 0.3872(3) 0.1528(2) 0.0810(4) Uiso 1 1 d G . .
C312 C 0.0243(3) 0.4024(3) 0.1479(2) 0.0811(6) Uiso 1 1 d G . .
C313 C 0.0086(2) 0.4252(3) 0.1760(3) 0.0810(4) Uiso 1 1 d G . .
C314 C 0.0298(2) 0.4326(2) 0.2089(2) 0.0641(3) Uiso 1 1 d G . .
C315 C 0.38695(19) 0.37576(19) 0.08001(18) 0.0509(4) Uiso 1 1 d G . .
C316 C 0.3772(2) 0.3389(2) 0.0875(2) 0.0641(3) Uiso 1 1 d G . .
C317 C 0.3963(3) 0.31033(19) 0.0684(3) 0.0810(4) Uiso 1 1 d G . .
C318 C 0.4251(3) 0.3186(3) 0.0419(3) 0.0811(6) Uiso 1 1 d G . .
C319 C 0.4348(3) 0.3554(3) 0.0345(3) 0.0810(4) Uiso 1 1 d G . .
C320 C 0.4157(2) 0.3840(2) 0.0535(2) 0.0641(3) Uiso 1 1 d G . .
C321 C 0.39533(19) 0.17018(19) 0.37572(18) 0.0509(4) Uiso 1 1 d G . .
C322 C 0.4091(3) 0.2023(2) 0.3933(2) 0.0641(3) Uiso 1 1 d G . .
C323 C 0.4106(3) 0.2044(3) 0.4328(2) 0.0810(4) Uiso 1 1 d G . .
C324 C 0.3985(3) 0.1744(3) 0.45476(18) 0.0811(6) Uiso 1 1 d G . .
C325 C 0.3847(3) 0.1423(3) 0.4372(2) 0.0810(4) Uiso 1 1 d G . .
C326 C 0.3832(3) 0.1402(2) 0.3977(2) 0.0641(3) Uiso 1 1 d G . .
C327 C 0.40183(19) 0.5799(2) 0.40750(17) 0.0509(4) Uiso 1 1 d G . .
C328 C 0.4186(2) 0.54527(19) 0.4141(3) 0.0641(3) Uiso 1 1 d G . .
C329 C 0.4551(3) 0.5428(3) 0.4313(3) 0.0810(4) Uiso 1 1 d G . .
C330 C 0.4749(2) 0.5750(4) 0.4418(3) 0.0811(6) Uiso 1 1 d G . .
C331 C 0.4582(2) 0.6096(3) 0.4352(3) 0.0810(4) Uiso 1 1 d G . .
C332 C 0.4216(2) 0.6121(2) 0.4181(2) 0.0641(3) Uiso 1 1 d G . .
C333 C 0.10879(18) 0.39327(19) 0.38456(18) 0.0509(4) Uiso 1 1 d G . .
C334 C 0.1122(2) 0.4299(2) 0.3722(2) 0.0641(3) Uiso 1 1 d G . .
C335 C 0.1020(3) 0.45898(19) 0.3963(3) 0.0810(4) Uiso 1 1 d G . .
C336 C 0.0884(3) 0.4515(3) 0.4327(3) 0.0811(6) Uiso 1 1 d G . .
C337 C 0.0849(3) 0.4149(3) 0.4451(2) 0.0810(4) Uiso 1 1 d G . .
C338 C 0.0951(2) 0.3858(2) 0.4210(2) 0.0641(3) Uiso 1 1 d G . .
C339 C 0.0955(2) 0.26939(18) 0.27021(18) 0.0509(4) Uiso 1 1 d G . .
C340 C 0.0684(2) 0.2439(2) 0.2563(2) 0.0641(3) Uiso 1 1 d G . .
C341 C 0.0626(3) 0.2104(2) 0.2751(3) 0.0810(4) Uiso 1 1 d G . .
C342 C 0.0838(4) 0.2023(2) 0.3079(3) 0.0811(6) Uiso 1 1 d G . .
C343 C 0.1109(3) 0.2278(3) 0.3219(2) 0.0810(4) Uiso 1 1 d G . .
C344 C 0.1167(2) 0.2613(2) 0.3030(2) 0.0641(3) Uiso 1 1 d G . .
C345 C 0.28181(19) 0.50505(19) 0.09601(18) 0.0509(4) Uiso 1 1 d G . .
C346 C 0.3174(2) 0.5081(2) 0.1150(2) 0.0641(3) Uiso 1 1 d G . .
C347 C 0.3400(2) 0.5399(3) 0.1106(3) 0.0810(4) Uiso 1 1 d G . .
C348 C 0.3271(3) 0.5686(2) 0.0871(3) 0.0811(6) Uiso 1 1 d G . .
C349 C 0.2916(3) 0.5655(2) 0.0681(3) 0.0810(4) Uiso 1 1 d G . .
C350 C 0.2689(2) 0.5338(2) 0.0726(2) 0.0641(3) Uiso 1 1 d G . .
C351 C 0.21200(19) 0.35965(19) 0.05804(18) 0.0509(4) Uiso 1 1 d G . .
C352 C 0.1850(2) 0.3827(2) 0.0757(2) 0.0641(3) Uiso 1 1 d G . .
C353 C 0.1479(2) 0.3871(3) 0.0601(3) 0.0810(4) Uiso 1 1 d G . .
C354 C 0.1378(2) 0.3683(3) 0.0269(3) 0.0811(6) Uiso 1 1 d G . .
C355 C 0.1648(3) 0.3453(3) 0.0092(2) 0.0810(4) Uiso 1 1 d G . .
C356 C 0.2019(2) 0.3409(2) 0.0248(2) 0.0641(3) Uiso 1 1 d G . .
C1S C 0.0383(2) 0.2807(2) 0.0371(2) 0.124(2) Uiso 1 1 d G . .
C2S C 0.0291(3) 0.3119(3) 0.0587(3) 0.124(2) Uiso 1 1 d G . .
C3S C 0.0062(4) 0.3083(4) 0.0911(3) 0.124(2) Uiso 1 1 d G . .
C4S C -0.0076(3) 0.2735(5) 0.1018(3) 0.124(2) Uiso 1 1 d G . .
C5S C 0.0016(4) 0.2423(4) 0.0802(4) 0.124(2) Uiso 1 1 d G . .
C6S C 0.0245(3) 0.2459(2) 0.0479(3) 0.124(2) Uiso 1 1 d G . .
C7S C 0.0673(3) 0.2852(4) 0.0062(3) 0.107(5) Uiso 1 1 d G . .
C8S C 0.5394(2) 0.2265(2) 0.0394(2) 0.124(2) Uiso 1 1 d G . .
C9S C 0.5274(3) 0.2628(2) 0.0460(3) 0.124(2) Uiso 1 1 d G . .
C10S C 0.5054(4) 0.2712(4) 0.0781(4) 0.124(2) Uiso 1 1 d G . .
C11S C 0.4956(4) 0.2432(5) 0.1036(3) 0.124(2) Uiso 1 1 d G . .
C12S C 0.5076(4) 0.2068(4) 0.0970(3) 0.124(2) Uiso 1 1 d G . .
C13S C 0.5295(3) 0.1984(3) 0.0649(3) 0.124(2) Uiso 1 1 d G . .
C14S C 0.5666(3) 0.2166(4) 0.0064(3) 0.103(5) Uiso 1 1 d G . .
C357 C 0.2074(2) 0.1129(2) 1.0060(4) 0.133(2) Uiso 1 1 d D . .
C358 C 0.1665(3) 0.1301(2) 1.0229(4) 0.1282(19) Uiso 1 1 d D . .
C359 C 0.1754(6) 0.1722(3) 1.0078(5) 0.150(2) Uiso 1 1 d D . .
C360 C 0.1451(2) 0.0519(3) 1.0107(3) 0.133(2) Uiso 1 1 d D . .
C361 C 0.1399(2) 0.0243(3) 0.9732(3) 0.1282(19) Uiso 1 1 d D . .
C362 C 0.0983(3) 0.0047(5) 0.9816(6) 0.150(2) Uiso 1 1 d D . .
C363 C 0.22857(18) 0.0413(3) 1.0158(4) 0.133(2) Uiso 1 1 d D . .
C364 C 0.27357(19) 0.0571(3) 1.0081(5) 0.1282(19) Uiso 1 1 d D . .
C365 C 0.3111(3) 0.0292(4) 1.0004(6) 0.150(2) Uiso 1 1 d D . .
C366 C 0.5015(3) 0.1654(2) 0.6516(3) 0.133(2) Uiso 1 1 d D . .
C367 C 0.4742(4) 0.2026(3) 0.6442(2) 0.1282(19) Uiso 1 1 d D . .
C368 C 0.4665(6) 0.2169(5) 0.6008(3) 0.150(2) Uiso 1 1 d D . .
C369 C 0.5181(4) 0.1685(4) 0.72570(19) 0.133(2) Uiso 1 1 d D . .
C370 C 0.5197(5) 0.1582(3) 0.77155(18) 0.1282(19) Uiso 1 1 d D . .
C371 C 0.5373(5) 0.1812(4) 0.8076(3) 0.150(2) Uiso 1 1 d D . .
C372 C 0.5121(3) 0.1010(2) 0.6958(3) 0.133(2) Uiso 1 1 d D . .
C373 C 0.4900(4) 0.07509(19) 0.6630(3) 0.1282(19) Uiso 1 1 d D . .
C374 C 0.4987(6) 0.0319(2) 0.6782(5) 0.150(2) Uiso 1 1 d D . .
C375 C 0.3102(3) 0.3874(2) -0.0248(3) 0.133(2) Uiso 1 1 d D . .
C376 C 0.3407(3) 0.3557(2) -0.0055(3) 0.1282(19) Uiso 1 1 d D . .
C377 C 0.3288(6) 0.3206(3) -0.0325(4) 0.150(2) Uiso 1 1 d D . .
C378 C 0.25814(19) 0.4562(3) -0.0147(5) 0.133(2) Uiso 1 1 d D . .
C379 C 0.2167(2) 0.4363(3) -0.0039(5) 0.1282(19) Uiso 1 1 d D . .
C380 C 0.1820(3) 0.4680(3) -0.0012(7) 0.150(2) Uiso 1 1 d D . .
C381 C 0.3420(2) 0.4475(3) -0.0069(3) 0.133(2) Uiso 1 1 d D . .
C382 C 0.3631(2) 0.4794(3) 0.0203(4) 0.1282(19) Uiso 1 1 d D . .
C383 C 0.4050(3) 0.4997(4) 0.0177(7) 0.150(2) Uiso 1 1 d D . .
C384 C -0.0179(3) 0.3994(2) 0.2990(3) 0.133(2) Uiso 1 1 d D . .
C385 C 0.0039(4) 0.4205(2) 0.3345(3) 0.1282(19) Uiso 1 1 d D . .
C386 C -0.0110(5) 0.4617(3) 0.3444(6) 0.150(2) Uiso 1 1 d D . .
C387 C -0.0176(4) 0.3209(2) 0.2744(2) 0.133(2) Uiso 1 1 d D . .
C388 C -0.0147(5) 0.3463(2) 0.2354(2) 0.1282(19) Uiso 1 1 d D . .
C389 C -0.0276(6) 0.3078(3) 0.2146(5) 0.150(2) Uiso 1 1 d D . .
C390 C 0.0208(4) 0.3420(4) 0.33828(18) 0.133(2) Uiso 1 1 d D . .
C391 C 0.0064(4) 0.3343(3) 0.3807(2) 0.1282(19) Uiso 1 1 d D . .
C392 C 0.0240(5) 0.2970(3) 0.4030(5) 0.150(2) Uiso 1 1 d 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'
P P 0.1023 0.0942 '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'
Cd Cd -0.8075 1.2024 '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
_geom_angle_publ_flag
S20 Cd1 S16 108.98(10) . . ?
S20 Cd1 S13 110.41(10) . . ?
S16 Cd1 S13 117.63(10) . . ?
S20 Cd1 S2 111.96(10) . . ?
S16 Cd1 S2 103.37(9) . . ?
S13 Cd1 S2 104.23(10) . . ?
S1 Cd2 S3 110.62(9) . . ?
S1 Cd2 S2 111.23(9) . . ?
S3 Cd2 S2 110.04(10) . . ?
S1 Cd2 S4 108.86(9) . . ?
S3 Cd2 S4 107.92(10) . . ?
S2 Cd2 S4 108.06(9) . . ?
S17 Cd3 S11 113.92(11) . . ?
S17 Cd3 S6 103.27(10) . . ?
S11 Cd3 S6 119.89(10) . . ?
S17 Cd3 S2 110.04(10) . . ?
S11 Cd3 S2 108.48(10) . . ?
S6 Cd3 S2 100.22(9) . . ?
S8 Cd4 S10 111.08(10) . . ?
S8 Cd4 S1 109.02(9) . . ?
S10 Cd4 S1 111.89(9) . . ?
S8 Cd4 S12 118.07(10) . . ?
S10 Cd4 S12 107.28(10) . . ?
S1 Cd4 S12 98.95(9) . . ?
S6 Cd5 S19 111.03(10) . . ?
S6 Cd5 S1 107.80(9) . . ?
S19 Cd5 S1 109.87(10) . . ?
S6 Cd5 S9 117.77(10) . . ?
S19 Cd5 S9 107.41(10) . . ?
S1 Cd5 S9 102.51(10) . . ?
S5 Cd6 S15 113.71(10) . . ?
S5 Cd6 S1 107.76(10) . . ?
S15 Cd6 S1 107.53(10) . . ?
S5 Cd6 S7 107.26(10) . . ?
S15 Cd6 S7 117.13(10) . . ?
S1 Cd6 S7 102.53(9) . . ?
S26 Cd7 S19 117.61(11) . . ?
S26 Cd7 S10 109.36(12) . . ?
S19 Cd7 S10 115.04(10) . . ?
S26 Cd7 S5 100.30(11) . . ?
S19 Cd7 S5 107.25(10) . . ?
S10 Cd7 S5 105.48(10) . . ?
S11 Cd8 S9 122.46(11) . . ?
S11 Cd8 S27 102.55(12) . . ?
S9 Cd8 S27 110.27(12) . . ?
S11 Cd8 S3 103.48(10) . . ?
S9 Cd8 S3 108.13(10) . . ?
S27 Cd8 S3 109.29(12) . . ?
S14 Cd9 S12 112.92(10) . . ?
S14 Cd9 S2 110.63(10) . . ?
S12 Cd9 S2 109.87(10) . . ?
S14 Cd9 S18 104.97(10) . . ?
S12 Cd9 S18 116.76(10) . . ?
S2 Cd9 S18 100.98(9) . . ?
S18 Cd10 S4 112.99(10) . . ?
S18 Cd10 S24 111.47(11) . . ?
S4 Cd10 S24 107.03(11) . . ?
S18 Cd10 S8 121.25(10) . . ?
S4 Cd10 S8 100.59(10) . . ?
S24 Cd10 S8 102.01(11) . . ?
S4 Cd11 S29 108.23(11) . . ?
S4 Cd11 S7 111.40(9) . . ?
S29 Cd11 S7 112.71(11) . . ?
S4 Cd11 S22 103.15(10) . . ?
S29 Cd11 S22 99.49(12) . . ?
S7 Cd11 S22 120.60(10) . . ?
S25 Cd12 S17 106.24(11) . . ?
S25 Cd12 S14 118.52(11) . . ?
S17 Cd12 S14 105.64(10) . . ?
S25 Cd12 S20 108.66(11) . . ?
S17 Cd12 S20 110.07(11) . . ?
S14 Cd12 S20 107.54(10) . . ?
S21 Cd13 S13 120.02(11) . . ?
S21 Cd13 S30 112.07(12) . . ?
S13 Cd13 S30 103.15(11) . . ?
S21 Cd13 S4 109.52(11) . . ?
S13 Cd13 S4 102.43(10) . . ?
S30 Cd13 S4 108.82(10) . . ?
S16 Cd14 S28 114.96(12) . . ?
S16 Cd14 S3 111.72(10) . . ?
S28 Cd14 S3 107.47(11) . . ?
S16 Cd14 S21 121.09(11) . . ?
S28 Cd14 S21 99.49(12) . . ?
S3 Cd14 S21 100.27(11) . . ?
S3 Cd15 S22 107.23(11) . . ?
S3 Cd15 S15 101.84(10) . . ?
S22 Cd15 S15 120.92(11) . . ?
S3 Cd15 S23 110.90(12) . . ?
S22 Cd15 S23 110.67(12) . . ?
S15 Cd15 S23 104.87(12) . . ?
S30 Cd16 P1 107.13(13) . . ?
S30 Cd16 S24 108.75(12) . . ?
P1 Cd16 S24 112.87(13) . . ?
S30 Cd16 S29 111.30(12) . . ?
P1 Cd16 S29 101.94(13) . . ?
S24 Cd16 S29 114.53(12) . . ?
S27 Cd17 S23 116.31(13) . . ?
S27 Cd17 P2 95.17(15) . . ?
S23 Cd17 P2 113.82(14) . . ?
S27 Cd17 S28 111.90(13) . . ?
S23 Cd17 S28 104.51(14) . . ?
P2 Cd17 S28 115.53(14) . . ?
Cd2 S1 Cd5 108.41(10) . . ?
Cd2 S1 Cd4 110.44(10) . . ?
Cd5 S1 Cd4 110.94(10) . . ?
Cd2 S1 Cd6 110.29(10) . . ?
Cd5 S1 Cd6 109.01(10) . . ?
Cd4 S1 Cd6 107.74(10) . . ?
Cd2 S2 Cd9 109.61(10) . . ?
Cd2 S2 Cd1 112.89(10) . . ?
Cd9 S2 Cd1 111.82(10) . . ?
Cd2 S2 Cd3 108.36(10) . . ?
Cd9 S2 Cd3 108.23(10) . . ?
Cd1 S2 Cd3 105.71(10) . . ?
Cd2 S3 Cd15 111.00(11) . . ?
Cd2 S3 Cd14 109.45(11) . . ?
Cd15 S3 Cd14 111.53(11) . . ?
Cd2 S3 Cd8 106.49(11) . . ?
Cd15 S3 Cd8 111.13(11) . . ?
Cd14 S3 Cd8 107.04(11) . . ?
Cd11 S4 Cd2 108.13(10) . . ?
Cd11 S4 Cd10 113.85(11) . . ?
Cd2 S4 Cd10 107.87(10) . . ?
Cd11 S4 Cd13 110.27(10) . . ?
Cd2 S4 Cd13 107.64(10) . . ?
Cd10 S4 Cd13 108.88(10) . . ?
C1 S5 Cd6 104.1(3) . . ?
C1 S5 Cd7 103.0(2) . . ?
Cd6 S5 Cd7 111.53(12) . . ?
C7 S6 Cd5 111.3(3) . . ?
C7 S6 Cd3 102.3(2) . . ?
Cd5 S6 Cd3 109.29(11) . . ?
C13 S7 Cd11 105.3(2) . . ?
C13 S7 Cd6 105.6(2) . . ?
Cd11 S7 Cd6 105.15(10) . . ?
C19 S8 Cd4 110.6(3) . . ?
C19 S8 Cd10 103.7(2) . . ?
Cd4 S8 Cd10 105.58(11) . . ?
C25 S9 Cd8 105.7(2) . . ?
C25 S9 Cd5 101.4(2) . . ?
Cd8 S9 Cd5 106.10(12) . . ?
C31 S10 Cd4 109.1(2) . . ?
C31 S10 Cd7 93.9(2) . . ?
Cd4 S10 Cd7 106.78(11) . . ?
C37 S11 Cd8 107.3(2) . . ?
C37 S11 Cd3 104.9(3) . . ?
Cd8 S11 Cd3 105.26(12) . . ?
C43 S12 Cd9 105.1(2) . . ?
C43 S12 Cd4 101.7(2) . . ?
Cd9 S12 Cd4 109.63(11) . . ?
C49 S13 Cd1 112.5(3) . . ?
C49 S13 Cd13 103.4(3) . . ?
Cd1 S13 Cd13 108.51(12) . . ?
C55 S14 Cd9 104.1(3) . . ?
C55 S14 Cd12 105.2(3) . . ?
Cd9 S14 Cd12 110.63(11) . . ?
C61 S15 Cd15 102.7(2) . . ?
C61 S15 Cd6 110.0(3) . . ?
Cd15 S15 Cd6 108.25(12) . . ?
C67 S16 Cd14 111.3(3) . . ?
C67 S16 Cd1 103.7(2) . . ?
Cd14 S16 Cd1 107.81(11) . . ?
C73 S17 Cd3 105.6(2) . . ?
C73 S17 Cd12 104.3(2) . . ?
Cd3 S17 Cd12 111.42(12) . . ?
C79 S18 Cd10 108.3(3) . . ?
C79 S18 Cd9 111.8(2) . . ?
Cd10 S18 Cd9 106.31(11) . . ?
C85 S19 Cd5 97.0(2) . . ?
C85 S19 Cd7 109.3(3) . . ?
Cd5 S19 Cd7 109.93(11) . . ?
C91 S20 Cd1 103.6(3) . . ?
C91 S20 Cd12 108.1(3) . . ?
Cd1 S20 Cd12 109.34(12) . . ?
C97 S21 Cd13 107.8(3) . . ?
C97 S21 Cd14 105.4(3) . . ?
Cd13 S21 Cd14 104.07(13) . . ?
C103 S22 Cd15 102.3(3) . . ?
C103 S22 Cd11 110.8(3) . . ?
Cd15 S22 Cd11 104.74(13) . . ?
C109 S23 Cd17 106.2(3) . . ?
C109 S23 Cd15 103.9(3) . . ?
Cd17 S23 Cd15 105.71(14) . . ?
C115 S24 Cd16 100.9(2) . . ?
C115 S24 Cd10 106.6(3) . . ?
Cd16 S24 Cd10 108.23(14) . . ?
C121 S25 Cd12 102.8(3) . . ?
C127 S26 Cd7 103.0(3) . . ?
C133 S27 Cd17 105.5(3) . . ?
C133 S27 Cd8 101.8(3) . . ?
Cd17 S27 Cd8 107.84(15) . . ?
C139 S28 Cd14 104.9(3) . . ?
C139 S28 Cd17 103.5(3) . . ?
Cd14 S28 Cd17 108.75(14) . . ?
C145 S29 Cd11 103.7(3) . . ?
C145 S29 Cd16 100.7(3) . . ?
Cd11 S29 Cd16 107.07(14) . . ?
C151 S30 Cd16 107.7(3) . . ?
C151 S30 Cd13 103.3(3) . . ?
Cd16 S30 Cd13 105.74(12) . . ?
C357 P1 C360 126.1(5) . . ?
C357 P1 C363 101.8(5) . . ?
C360 P1 C363 112.1(5) . . ?
C357 P1 Cd16 85.3(5) . . ?
C360 P1 Cd16 114.7(4) . . ?
C363 P1 Cd16 114.2(5) . . ?
C366 P2 C369 101.3(5) . . ?
C366 P2 C372 108.9(5) . . ?
C369 P2 C372 98.3(6) . . ?
C366 P2 Cd17 127.7(4) . . ?
C369 P2 Cd17 110.5(4) . . ?
C372 P2 Cd17 106.3(4) . . ?
S32 Cd18 S50 111.42(10) . . ?
S32 Cd18 S43 103.59(10) . . ?
S50 Cd18 S43 109.98(11) . . ?
S32 Cd18 S46 101.26(10) . . ?
S50 Cd18 S46 106.67(11) . . ?
S43 Cd18 S46 123.37(10) . . ?
S32 Cd19 S34 107.82(10) . . ?
S32 Cd19 S33 108.64(10) . . ?
S34 Cd19 S33 109.73(10) . . ?
S32 Cd19 S31 111.74(10) . . ?
S34 Cd19 S31 109.78(10) . . ?
S33 Cd19 S31 109.10(10) . . ?
S41 Cd20 S47 110.39(11) . . ?
S41 Cd20 S32 110.36(10) . . ?
S47 Cd20 S32 110.64(10) . . ?
S41 Cd20 S36 119.47(10) . . ?
S47 Cd20 S36 104.04(10) . . ?
S32 Cd20 S36 101.43(10) . . ?
S38 Cd21 S40 110.92(10) . . ?
S38 Cd21 S42 118.48(10) . . ?
S40 Cd21 S42 107.80(10) . . ?
S38 Cd21 S31 110.16(10) . . ?
S40 Cd21 S31 109.81(10) . . ?
S42 Cd21 S31 98.93(10) . . ?
S31 Cd22 S36 109.26(9) . . ?
S31 Cd22 S39 104.58(10) . . ?
S36 Cd22 S39 118.19(10) . . ?
S31 Cd22 S49 110.56(10) . . ?
S36 Cd22 S49 108.91(10) . . ?
S39 Cd22 S49 105.17(10) . . ?
S45 Cd23 S37 119.50(10) . . ?
S45 Cd23 S31 107.71(10) . . ?
S37 Cd23 S31 101.22(9) . . ?
S45 Cd23 S35 112.63(11) . . ?
S37 Cd23 S35 107.26(10) . . ?
S31 Cd23 S35 107.37(10) . . ?
S56 Cd24 S40 108.95(12) . . ?
S56 Cd24 S49 115.86(12) . . ?
S40 Cd24 S49 114.80(10) . . ?
S56 Cd24 S35 102.44(12) . . ?
S40 Cd24 S35 104.36(10) . . ?
S49 Cd24 S35 109.07(11) . . ?
S33 Cd25 S57 112.03(12) . . ?
S33 Cd25 S39 110.41(10) . . ?
S57 Cd25 S39 109.22(12) . . ?
S33 Cd25 S41 103.13(10) . . ?
S57 Cd25 S41 99.82(12) . . ?
S39 Cd25 S41 121.76(11) . . ?
S42 Cd26 S44 114.87(10) . . ?
S42 Cd26 S32 108.07(10) . . ?
S44 Cd26 S32 110.20(10) . . ?
S42 Cd26 S48 118.25(10) . . ?
S44 Cd26 S48 102.44(10) . . ?
S32 Cd26 S48 102.17(10) . . ?
S38 Cd27 S54 100.05(12) . . ?
S38 Cd27 S48 122.32(10) . . ?
S54 Cd27 S48 111.89(12) . . ?
S38 Cd27 S34 102.82(10) . . ?
S54 Cd27 S34 109.38(11) . . ?
S48 Cd27 S34 109.45(10) . . ?
S37 Cd28 S59 111.64(11) . . ?
S37 Cd28 S52 120.11(11) . . ?
S59 Cd28 S52 103.52(12) . . ?
S37 Cd28 S34 109.87(10) . . ?
S59 Cd28 S34 107.80(11) . . ?
S52 Cd28 S34 102.99(11) . . ?
S55 Cd29 S50 107.65(12) . . ?
S55 Cd29 S47 107.40(12) . . ?
S50 Cd29 S47 109.24(11) . . ?
S55 Cd29 S44 117.44(11) . . ?
S50 Cd29 S44 107.84(10) . . ?
S47 Cd29 S44 107.09(10) . . ?
S51 Cd30 S34 108.84(11) . . ?
S51 Cd30 S60 112.24(12) . . ?
S34 Cd30 S60 109.64(11) . . ?
S51 Cd30 S43 123.23(12) . . ?
S34 Cd30 S43 100.28(10) . . ?
S60 Cd30 S43 101.56(11) . . ?
S46 Cd31 S58 112.42(12) . . ?
S46 Cd31 S51 121.56(11) . . ?
S58 Cd31 S51 103.48(12) . . ?
S46 Cd31 S33 110.03(10) . . ?
S58 Cd31 S33 106.89(12) . . ?
S51 Cd31 S33 101.12(11) . . ?
S52 Cd32 S53 113.76(12) . . ?
S52 Cd32 S33 108.58(11) . . ?
S53 Cd32 S33 109.23(12) . . ?
S52 Cd32 S45 122.57(11) . . ?
S53 Cd32 S45 102.63(12) . . ?
S33 Cd32 S45 98.67(10) . . ?
S60 Cd33 P3 109.12(13) . . ?
S60 Cd33 S59 112.38(12) . . ?
P3 Cd33 S59 103.39(13) . . ?
S60 Cd33 S54 112.84(12) . . ?
P3 Cd33 S54 110.32(13) . . ?
S59 Cd33 S54 108.39(13) . . ?
S58 Cd34 S53 109.78(14) . . ?
S58 Cd34 P4 106.50(14) . . ?
S53 Cd34 P4 102.26(14) . . ?
S58 Cd34 S57 110.22(13) . . ?
S53 Cd34 S57 113.39(13) . . ?
P4 Cd34 S57 114.22(14) . . ?
S58 Cd34 C390 114.1(3) . . ?
S53 Cd34 C390 125.1(3) . . ?
P4 Cd34 C390 34.7(2) . . ?
S57 Cd34 C390 80.3(2) . . ?
Cd19 S31 Cd23 109.96(10) . . ?
Cd19 S31 Cd22 107.24(10) . . ?
Cd23 S31 Cd22 109.54(10) . . ?
Cd19 S31 Cd21 109.17(10) . . ?
Cd23 S31 Cd21 109.44(10) . . ?
Cd22 S31 Cd21 111.46(10) . . ?
Cd19 S32 Cd20 109.54(11) . . ?
Cd19 S32 Cd18 112.40(11) . . ?
Cd20 S32 Cd18 106.82(10) . . ?
Cd19 S32 Cd26 109.39(11) . . ?
Cd20 S32 Cd26 108.33(10) . . ?
Cd18 S32 Cd26 110.25(11) . . ?
Cd19 S33 Cd25 108.49(11) . . ?
Cd19 S33 Cd31 108.50(11) . . ?
Cd25 S33 Cd31 109.31(11) . . ?
Cd19 S33 Cd32 109.74(11) . . ?
Cd25 S33 Cd32 111.64(11) . . ?
Cd31 S33 Cd32 109.10(11) . . ?
Cd19 S34 Cd30 109.37(11) . . ?
Cd19 S34 Cd28 106.92(10) . . ?
Cd30 S34 Cd28 110.02(11) . . ?
Cd19 S34 Cd27 108.29(10) . . ?
Cd30 S34 Cd27 111.02(11) . . ?
Cd28 S34 Cd27 111.10(11) . . ?
C201 S35 Cd23 104.3(3) . . ?
C201 S35 Cd24 101.7(2) . . ?
Cd23 S35 Cd24 110.86(12) . . ?
C207 S36 Cd22 110.2(3) . . ?
C207 S36 Cd20 103.9(3) . . ?
Cd22 S36 Cd20 107.19(11) . . ?
C213 S37 Cd28 106.2(2) . . ?
C213 S37 Cd23 106.4(2) . . ?
Cd28 S37 Cd23 107.57(11) . . ?
C219 S38 Cd27 104.3(2) . . ?
C219 S38 Cd21 111.0(3) . . ?
Cd27 S38 Cd21 105.96(11) . . ?
C225 S39 Cd25 107.5(3) . . ?
C225 S39 Cd22 113.7(3) . . ?
Cd25 S39 Cd22 103.81(12) . . ?
C231 S40 Cd21 111.9(3) . . ?
C231 S40 Cd24 93.4(3) . . ?
Cd21 S40 Cd24 108.56(12) . . ?
C237 S41 Cd20 111.2(3) . . ?
C237 S41 Cd25 106.3(3) . . ?
Cd20 S41 Cd25 103.20(12) . . ?
C243 S42 Cd26 108.3(3) . . ?
C243 S42 Cd21 104.7(3) . . ?
Cd26 S42 Cd21 109.91(11) . . ?
C249 S43 Cd30 103.2(3) . . ?
C249 S43 Cd18 109.0(3) . . ?
Cd30 S43 Cd18 105.22(12) . . ?
C255 S44 Cd26 98.8(2) . . ?
C255 S44 Cd29 107.1(2) . . ?
Cd26 S44 Cd29 110.39(11) . . ?
C261 S45 Cd23 106.1(3) . . ?
C261 S45 Cd32 105.6(2) . . ?
Cd23 S45 Cd32 106.97(12) . . ?
C267 S46 Cd31 105.4(3) . . ?
C267 S46 Cd18 100.8(3) . . ?
Cd31 S46 Cd18 104.25(11) . . ?
C273 S47 Cd20 105.3(3) . . ?
C273 S47 Cd29 106.4(3) . . ?
Cd20 S47 Cd29 111.55(12) . . ?
C279 S48 Cd27 109.8(3) . . ?
C279 S48 Cd26 107.3(2) . . ?
Cd27 S48 Cd26 103.82(11) . . ?
C285 S49 Cd22 101.3(2) . . ?
C285 S49 Cd24 106.9(3) . . ?
Cd22 S49 Cd24 107.30(11) . . ?
C291 S50 Cd29 107.0(2) . . ?
C291 S50 Cd18 97.8(2) . . ?
Cd29 S50 Cd18 109.54(13) . . ?
C297 S51 Cd30 105.6(3) . . ?
C297 S51 Cd31 108.0(3) . . ?
Cd30 S51 Cd31 106.29(14) . . ?
C303 S52 Cd32 115.6(3) . . ?
C303 S52 Cd28 102.2(3) . . ?
Cd32 S52 Cd28 105.03(13) . . ?
C309 S53 Cd34 102.3(3) . . ?
C309 S53 Cd32 100.3(3) . . ?
Cd34 S53 Cd32 107.26(15) . . ?
C315 S54 Cd27 110.2(3) . . ?
C315 S54 Cd33 104.5(3) . . ?
Cd27 S54 Cd33 105.69(14) . . ?
C321 S55 Cd29 103.9(3) . . ?
C327 S56 Cd24 112.3(3) . . ?
C333 S57 Cd25 102.6(3) . . ?
C333 S57 Cd34 108.5(3) . . ?
Cd25 S57 Cd34 104.20(14) . . ?
C339 S58 Cd34 106.8(3) . . ?
C339 S58 Cd31 103.8(3) . . ?
Cd34 S58 Cd31 109.91(15) . . ?
C345 S59 Cd28 104.6(3) . . ?
C345 S59 Cd33 105.7(3) . . ?
Cd28 S59 Cd33 108.00(14) . . ?
C351 S60 Cd33 102.4(3) . . ?
C351 S60 Cd30 106.1(3) . . ?
Cd33 S60 Cd30 106.77(13) . . ?
C375 P3 C378 123.1(7) . . ?
C375 P3 C381 91.6(5) . . ?
C378 P3 C381 113.4(5) . . ?
C375 P3 Cd33 108.2(4) . . ?
C378 P3 Cd33 111.5(6) . . ?
C381 P3 Cd33 106.5(5) . . ?
C390 P4 C387 109.0(7) . . ?
C390 P4 C384 115.2(7) . . ?
C387 P4 C384 115.5(6) . . ?
C390 P4 C388 151.4(6) . . ?
C387 P4 C388 44.7(3) . . ?
C384 P4 C388 90.5(5) . . ?
C390 P4 Cd34 78.5(5) . . ?
C387 P4 Cd34 118.8(5) . . ?
C384 P4 Cd34 114.2(4) . . ?
C388 P4 Cd34 103.2(5) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 S5 122.0(4) . . ?
C6 C1 S5 118.0(4) . . ?
C3 C2 C1 120.0 . . ?
C2 C3 C4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C1 120.0 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 S6 120.5(3) . . ?
C12 C7 S6 119.5(3) . . ?
C9 C8 C7 120.0 . . ?
C8 C9 C10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 S7 123.8(4) . . ?
C18 C13 S7 116.1(4) . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C17 C18 C13 120.0 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 S8 122.9(4) . . ?
C24 C19 S8 117.1(3) . . ?
C21 C20 C19 120.0 . . ?
C20 C21 C22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C23 C24 120.0 . . ?
C23 C24 C19 120.0 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 S9 121.1(3) . . ?
C30 C25 S9 117.8(3) . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C30 C29 C28 120.0 . . ?
C29 C30 C25 120.0 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 S10 123.5(3) . . ?
C36 C31 S10 116.2(3) . . ?
C33 C32 C31 120.0 . . ?
C34 C33 C32 120.0 . . ?
C33 C34 C35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C35 C36 C31 120.0 . . ?
C38 C37 C42 120.0 . . ?
C38 C37 S11 125.8(4) . . ?
C42 C37 S11 114.2(4) . . ?
C39 C38 C37 120.0 . . ?
C38 C39 C40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C40 C41 C42 120.0 . . ?
C41 C42 C37 120.0 . . ?
C44 C43 C48 120.0 . . ?
C44 C43 S12 123.5(3) . . ?
C48 C43 S12 116.3(3) . . ?
C43 C44 C45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C46 C47 C48 120.0 . . ?
C47 C48 C43 120.0 . . ?
C50 C49 C54 120.0 . . ?
C50 C49 S13 118.6(4) . . ?
C54 C49 S13 121.2(4) . . ?
C51 C50 C49 120.0 . . ?
C52 C51 C50 120.0 . . ?
C51 C52 C53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C53 C54 C49 120.0 . . ?
C56 C55 C60 120.0 . . ?
C56 C55 S14 121.8(4) . . ?
C60 C55 S14 117.8(4) . . ?
C55 C56 C57 120.0 . . ?
C58 C57 C56 120.0 . . ?
C57 C58 C59 120.0 . . ?
C60 C59 C58 120.0 . . ?
C59 C60 C55 120.0 . . ?
C62 C61 C66 120.0 . . ?
C62 C61 S15 120.0(4) . . ?
C66 C61 S15 120.0(4) . . ?
C63 C62 C61 120.0 . . ?
C62 C63 C64 120.0 . . ?
C65 C64 C63 120.0 . . ?
C64 C65 C66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C68 C67 C72 120.0 . . ?
C68 C67 S16 120.6(4) . . ?
C72 C67 S16 119.3(4) . . ?
C67 C68 C69 120.0 . . ?
C70 C69 C68 120.0 . . ?
C69 C70 C71 120.0 . . ?
C70 C71 C72 120.0 . . ?
C71 C72 C67 120.0 . . ?
C74 C73 C78 120.0 . . ?
C74 C73 S17 120.0(4) . . ?
C78 C73 S17 119.8(4) . . ?
C75 C74 C73 120.0 . . ?
C74 C75 C76 120.0 . . ?
C75 C76 C77 120.0 . . ?
C78 C77 C76 120.0 . . ?
C77 C78 C73 120.0 . . ?
C80 C79 C84 120.0 . . ?
C80 C79 S18 123.7(4) . . ?
C84 C79 S18 116.2(4) . . ?
C81 C80 C79 120.0 . . ?
C80 C81 C82 120.0 . . ?
C83 C82 C81 120.0 . . ?
C84 C83 C82 120.0 . . ?
C83 C84 C79 120.0 . . ?
C86 C85 C90 120.0 . . ?
C86 C85 S19 117.6(4) . . ?
C90 C85 S19 122.4(4) . . ?
C85 C86 C87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C89 C88 C87 120.0 . . ?
C88 C89 C90 120.0 . . ?
C89 C90 C85 120.0 . . ?
C92 C91 C96 120.0 . . ?
C92 C91 S20 121.2(4) . . ?
C96 C91 S20 118.8(4) . . ?
C91 C92 C93 120.0 . . ?
C94 C93 C92 120.0 . . ?
C93 C94 C95 120.0 . . ?
C94 C95 C96 120.0 . . ?
C95 C96 C91 120.0 . . ?
C98 C97 C102 120.0 . . ?
C98 C97 S21 120.2(4) . . ?
C102 C97 S21 119.8(4) . . ?
C97 C98 C99 120.0 . . ?
C100 C99 C98 120.0 . . ?
C101 C100 C99 120.0 . . ?
C100 C101 C102 120.0 . . ?
C101 C102 C97 120.0 . . ?
C104 C103 C108 120.0 . . ?
C104 C103 S22 124.6(4) . . ?
C108 C103 S22 115.2(4) . . ?
C103 C104 C105 120.0 . . ?
C106 C105 C104 120.0 . . ?
C105 C106 C107 120.0 . . ?
C108 C107 C106 120.0 . . ?
C107 C108 C103 120.0 . . ?
C110 C109 C114 120.0 . . ?
C110 C109 S23 121.4(4) . . ?
C114 C109 S23 118.5(4) . . ?
C109 C110 C111 120.0 . . ?
C110 C111 C112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C112 C113 C114 120.0 . . ?
C113 C114 C109 120.0 . . ?
C116 C115 C120 120.0 . . ?
C116 C115 S24 123.7(3) . . ?
C120 C115 S24 116.2(4) . . ?
C115 C116 C117 120.0 . . ?
C116 C117 C118 120.0 . . ?
C119 C118 C117 120.0 . . ?
C120 C119 C118 120.0 . . ?
C119 C120 C115 120.0 . . ?
C122 C121 C126 120.0 . . ?
C122 C121 S25 119.9(4) . . ?
C126 C121 S25 120.1(3) . . ?
C121 C122 C123 120.0 . . ?
C124 C123 C122 120.0 . . ?
C125 C124 C123 120.0 . . ?
C124 C125 C126 120.0 . . ?
C125 C126 C121 120.0 . . ?
C128 C127 C132 120.0 . . ?
C128 C127 S26 121.0(4) . . ?
C132 C127 S26 118.6(4) . . ?
C127 C128 C129 120.0 . . ?
C128 C129 C130 120.0 . . ?
C131 C130 C129 120.0 . . ?
C130 C131 C132 120.0 . . ?
C131 C132 C127 120.0 . . ?
C134 C133 C138 120.0 . . ?
C134 C133 S27 123.4(4) . . ?
C138 C133 S27 116.6(4) . . ?
C133 C134 C135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C135 C136 C137 120.0 . . ?
C136 C137 C138 120.0 . . ?
C137 C138 C133 120.0 . . ?
C140 C139 C144 120.0 . . ?
C140 C139 S28 118.2(4) . . ?
C144 C139 S28 121.8(4) . . ?
C141 C140 C139 120.0 . . ?
C140 C141 C142 120.0 . . ?
C143 C142 C141 120.0 . . ?
C144 C143 C142 120.0 . . ?
C143 C144 C139 120.0 . . ?
C146 C145 C150 120.0 . . ?
C146 C145 S29 123.8(4) . . ?
C150 C145 S29 116.2(4) . . ?
C145 C146 C147 120.0 . . ?
C148 C147 C146 120.0 . . ?
C147 C148 C149 120.0 . . ?
C150 C149 C148 120.0 . . ?
C149 C150 C145 120.0 . . ?
C152 C151 C156 120.0 . . ?
C152 C151 S30 123.4(4) . . ?
C156 C151 S30 116.5(4) . . ?
C153 C152 C151 120.0 . . ?
C154 C153 C152 120.0 . . ?
C153 C154 C155 120.0 . . ?
C156 C155 C154 120.0 . . ?
C155 C156 C151 120.0 . . ?
C202 C201 C206 120.0 . . ?
C202 C201 S35 124.1(4) . . ?
C206 C201 S35 115.8(4) . . ?
C203 C202 C201 120.0 . . ?
C202 C203 C204 120.0 . . ?
C205 C204 C203 120.0 . . ?
C204 C205 C206 120.0 . . ?
C205 C206 C201 120.0 . . ?
C208 C207 C212 120.0 . . ?
C208 C207 S36 123.0(4) . . ?
C212 C207 S36 117.0(4) . . ?
C209 C208 C207 120.0 . . ?
C208 C209 C210 120.0 . . ?
C211 C210 C209 120.0 . . ?
C210 C211 C212 120.0 . . ?
C211 C212 C207 120.0 . . ?
C214 C213 C218 120.0 . . ?
C214 C213 S37 120.1(4) . . ?
C218 C213 S37 119.9(4) . . ?
C215 C214 C213 120.0 . . ?
C214 C215 C216 120.0 . . ?
C217 C216 C215 120.0 . . ?
C218 C217 C216 120.0 . . ?
C217 C218 C213 120.0 . . ?
C220 C219 C224 120.0 . . ?
C220 C219 S38 122.0(4) . . ?
C224 C219 S38 117.8(4) . . ?
C219 C220 C221 120.0 . . ?
C222 C221 C220 120.0 . . ?
C223 C222 C221 120.0 . . ?
C222 C223 C224 120.0 . . ?
C223 C224 C219 120.0 . . ?
C226 C225 C230 120.0 . . ?
C226 C225 S39 123.9(4) . . ?
C230 C225 S39 115.6(4) . . ?
C227 C226 C225 120.0 . . ?
C226 C227 C228 120.0 . . ?
C229 C228 C227 120.0 . . ?
C230 C229 C228 120.0 . . ?
C229 C230 C225 120.0 . . ?
C232 C231 C236 120.0 . . ?
C232 C231 S40 119.7(4) . . ?
C236 C231 S40 120.2(4) . . ?
C233 C232 C231 120.0 . . ?
C232 C233 C234 120.0 . . ?
C233 C234 C235 120.0 . . ?
C234 C235 C236 120.0 . . ?
C235 C236 C231 120.0 . . ?
C238 C237 C242 120.0 . . ?
C238 C237 S41 121.2(4) . . ?
C242 C237 S41 118.8(4) . . ?
C237 C238 C239 120.0 . . ?
C240 C239 C238 120.0 . . ?
C241 C240 C239 120.0 . . ?
C240 C241 C242 120.0 . . ?
C241 C242 C237 120.0 . . ?
C244 C243 C248 120.0 . . ?
C244 C243 S42 119.0(4) . . ?
C248 C243 S42 120.9(4) . . ?
C243 C244 C245 120.0 . . ?
C246 C245 C244 120.0 . . ?
C245 C246 C247 120.0 . . ?
C246 C247 C248 120.0 . . ?
C247 C248 C243 120.0 . . ?
C250 C249 C254 120.0 . . ?
C250 C249 S43 122.7(4) . . ?
C254 C249 S43 117.2(4) . . ?
C251 C250 C249 120.0 . . ?
C250 C251 C252 120.0 . . ?
C253 C252 C251 120.0 . . ?
C254 C253 C252 120.0 . . ?
C253 C254 C249 120.0 . . ?
C256 C255 C260 120.0 . . ?
C256 C255 S44 121.8(4) . . ?
C260 C255 S44 118.1(4) . . ?
C255 C256 C257 120.0 . . ?
C258 C257 C256 120.0 . . ?
C259 C258 C257 120.0 . . ?
C258 C259 C260 120.0 . . ?
C259 C260 C255 120.0 . . ?
C262 C261 C266 120.0 . . ?
C262 C261 S45 125.1(4) . . ?
C266 C261 S45 114.7(4) . . ?
C261 C262 C263 120.0 . . ?
C264 C263 C262 120.0 . . ?
C265 C264 C263 120.0 . . ?
C264 C265 C266 120.0 . . ?
C265 C266 C261 120.0 . . ?
C268 C267 C272 120.0 . . ?
C268 C267 S46 115.1(4) . . ?
C272 C267 S46 124.8(4) . . ?
C267 C268 C269 120.0 . . ?
C270 C269 C268 120.0 . . ?
C269 C270 C271 120.0 . . ?
C272 C271 C270 120.0 . . ?
C271 C272 C267 120.0 . . ?
C274 C273 C278 120.0 . . ?
C274 C273 S47 125.0(4) . . ?
C278 C273 S47 115.0(4) . . ?
C273 C274 C275 120.0 . . ?
C276 C275 C274 120.0 . . ?
C275 C276 C277 120.0 . . ?
C278 C277 C276 120.0 . . ?
C277 C278 C273 120.0 . . ?
C280 C279 C284 120.0 . . ?
C280 C279 S48 121.0(4) . . ?
C284 C279 S48 118.7(4) . . ?
C279 C280 C281 120.0 . . ?
C282 C281 C280 120.0 . . ?
C281 C282 C283 120.0 . . ?
C284 C283 C282 120.0 . . ?
C283 C284 C279 120.0 . . ?
C286 C285 C290 120.0 . . ?
C286 C285 S49 117.7(4) . . ?
C290 C285 S49 122.0(4) . . ?
C287 C286 C285 120.0 . . ?
C288 C287 C286 120.0 . . ?
C287 C288 C289 120.0 . . ?
C288 C289 C290 120.0 . . ?
C289 C290 C285 120.0 . . ?
C292 C291 C296 120.0 . . ?
C292 C291 S50 122.8(4) . . ?
C296 C291 S50 117.1(4) . . ?
C293 C292 C291 120.0 . . ?
C292 C293 C294 120.0 . . ?
C295 C294 C293 120.0 . . ?
C296 C295 C294 120.0 . . ?
C295 C296 C291 120.0 . . ?
C298 C297 C302 120.0 . . ?
C298 C297 S51 124.6(4) . . ?
C302 C297 S51 115.4(4) . . ?
C299 C298 C297 120.0 . . ?
C298 C299 C300 120.0 . . ?
C299 C300 C301 120.0 . . ?
C302 C301 C300 120.0 . . ?
C301 C302 C297 120.0 . . ?
C304 C303 C308 120.0 . . ?
C304 C303 S52 119.9(4) . . ?
C308 C303 S52 120.0(4) . . ?
C305 C304 C303 120.0 . . ?
C304 C305 C306 120.0 . . ?
C307 C306 C305 120.0 . . ?
C308 C307 C306 120.0 . . ?
C307 C308 C303 120.0 . . ?
C310 C309 C314 120.0 . . ?
C310 C309 S53 125.0(4) . . ?
C314 C309 S53 114.5(4) . . ?
C309 C310 C311 120.0 . . ?
C310 C311 C312 120.0 . . ?
C313 C312 C311 120.0 . . ?
C312 C313 C314 120.0 . . ?
C313 C314 C309 120.0 . . ?
C316 C315 C320 120.0 . . ?
C316 C315 S54 120.6(4) . . ?
C320 C315 S54 119.4(4) . . ?
C315 C316 C317 120.0 . . ?
C316 C317 C318 120.0 . . ?
C319 C318 C317 120.0 . . ?
C318 C319 C320 120.0 . . ?
C319 C320 C315 120.0 . . ?
C322 C321 C326 120.0 . . ?
C322 C321 S55 123.2(4) . . ?
C326 C321 S55 116.8(4) . . ?
C321 C322 C323 120.0 . . ?
C324 C323 C322 120.0 . . ?
C323 C324 C325 120.0 . . ?
C324 C325 C326 120.0 . . ?
C325 C326 C321 120.0 . . ?
C328 C327 C332 120.0 . . ?
C328 C327 S56 122.3(4) . . ?
C332 C327 S56 117.7(4) . . ?
C327 C328 C329 120.0 . . ?
C330 C329 C328 120.0 . . ?
C329 C330 C331 120.0 . . ?
C332 C331 C330 120.0 . . ?
C331 C332 C327 120.0 . . ?
C334 C333 C338 120.0 . . ?
C334 C333 S57 123.5(4) . . ?
C338 C333 S57 116.5(4) . . ?
C335 C334 C333 120.0 . . ?
C334 C335 C336 120.0 . . ?
C337 C336 C335 120.0 . . ?
C336 C337 C338 120.0 . . ?
C337 C338 C333 120.0 . . ?
C340 C339 C344 120.0 . . ?
C340 C339 S58 118.4(4) . . ?
C344 C339 S58 121.6(4) . . ?
C339 C340 C341 120.0 . . ?
C342 C341 C340 120.0 . . ?
C341 C342 C343 120.0 . . ?
C344 C343 C342 120.0 . . ?
C343 C344 C339 120.0 . . ?
C346 C345 C350 120.0 . . ?
C346 C345 S59 124.1(4) . . ?
C350 C345 S59 115.9(4) . . ?
C345 C346 C347 120.0 . . ?
C348 C347 C346 120.0 . . ?
C347 C348 C349 120.0 . . ?
C350 C349 C348 120.0 . . ?
C349 C350 C345 120.0 . . ?
C352 C351 C356 120.0 . . ?
C352 C351 S60 122.1(4) . . ?
C356 C351 S60 117.8(4) . . ?
C353 C352 C351 120.0 . . ?
C352 C353 C354 120.0 . . ?
C355 C354 C353 120.0 . . ?
C354 C355 C356 120.0 . . ?
C355 C356 C351 120.0 . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S C7S 117.8 . . ?
C6S C1S C7S 121.7 . . ?
C3S C2S C1S 120.0 . . ?
C4S C3S C2S 120.0 . . ?
C5S C4S C3S 120.0 . . ?
C4S C5S C6S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C9S C8S C13S 120.0 . . ?
C9S C8S C14S 121.7 . . ?
C13S C8S C14S 118.0 . . ?
C10S C9S C8S 120.0 . . ?
C9S C10S C11S 120.0 . . ?
C10S C11S C12S 120.0 . . ?
C13S C12S C11S 120.0 . . ?
C12S C13S C8S 120.0 . . ?
C358 C357 P1 96.6(5) . . ?
C359 C358 C357 94.1(9) . . ?
P1 C360 C361 95.5(5) . . ?
C362 C361 C360 102.0(10) . . ?
C364 C363 P1 116.0(8) . . ?
C365 C364 C363 122.6(8) . . ?
C367 C366 P2 110.3(7) . . ?
C366 C367 C368 119.5(9) . . ?
C370 C369 P2 123.0(8) . . ?
C371 C370 C369 131.0(10) . . ?
C373 C372 P2 104.8(6) . . ?
C374 C373 C372 102.8(9) . . ?
P3 C375 C376 121.9(7) . . ?
C377 C376 C375 98.0(8) . . ?
C379 C378 P3 109.3(7) . . ?
C378 C379 C380 109.8(8) . . ?
C382 C381 P3 126.9(7) . . ?
C383 C382 C381 132.0(11) . . ?
C385 C384 P4 101.7(6) . . ?
C386 C385 C384 116.5(10) . . ?
C388 C387 P4 87.6(6) . . ?
C389 C388 C387 83.3(8) . . ?
C389 C388 P4 129.7(7) . . ?
C387 C388 P4 47.8(4) . . ?
P4 C390 C391 142.4(11) . . ?
P4 C390 Cd34 66.9(4) . . ?
C391 C390 Cd34 147.7(8) . . ?
C390 C391 C392 117.7(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 S20 2.504(3) . ?
Cd1 S16 2.511(3) . ?
Cd1 S13 2.520(3) . ?
Cd1 S2 2.531(3) . ?
Cd2 S1 2.461(3) . ?
Cd2 S3 2.478(3) . ?
Cd2 S2 2.492(3) . ?
Cd2 S4 2.500(3) . ?
Cd3 S17 2.508(3) . ?
Cd3 S11 2.516(3) . ?
Cd3 S6 2.528(3) . ?
Cd3 S2 2.565(3) . ?
Cd4 S8 2.522(3) . ?
Cd4 S10 2.550(3) . ?
Cd4 S1 2.557(3) . ?
Cd4 S12 2.567(3) . ?
Cd5 S6 2.510(3) . ?
Cd5 S19 2.522(3) . ?
Cd5 S1 2.541(3) . ?
Cd5 S9 2.546(3) . ?
Cd6 S5 2.523(3) . ?
Cd6 S15 2.544(3) . ?
Cd6 S1 2.561(3) . ?
Cd6 S7 2.580(3) . ?
Cd7 S26 2.455(4) . ?
Cd7 S19 2.543(3) . ?
Cd7 S10 2.562(3) . ?
Cd7 S5 2.583(3) . ?
Cd8 S11 2.499(3) . ?
Cd8 S9 2.503(3) . ?
Cd8 S27 2.519(4) . ?
Cd8 S3 2.580(3) . ?
Cd9 S14 2.516(3) . ?
Cd9 S12 2.516(3) . ?
Cd9 S2 2.518(3) . ?
Cd9 S18 2.555(3) . ?
Cd10 S18 2.447(3) . ?
Cd10 S4 2.508(3) . ?
Cd10 S24 2.533(4) . ?
Cd10 S8 2.556(3) . ?
Cd11 S4 2.494(3) . ?
Cd11 S29 2.527(4) . ?
Cd11 S7 2.522(3) . ?
Cd11 S22 2.545(4) . ?
Cd12 S25 2.478(4) . ?
Cd12 S17 2.542(3) . ?
Cd12 S14 2.598(3) . ?
Cd12 S20 2.602(3) . ?
Cd13 S21 2.525(4) . ?
Cd13 S13 2.538(3) . ?
Cd13 S30 2.553(3) . ?
Cd13 S4 2.557(3) . ?
Cd14 S16 2.470(3) . ?
Cd14 S28 2.523(4) . ?
Cd14 S3 2.538(3) . ?
Cd14 S21 2.542(4) . ?
Cd15 S3 2.503(3) . ?
Cd15 S22 2.507(4) . ?
Cd15 S15 2.524(3) . ?
Cd15 S23 2.554(4) . ?
Cd16 S30 2.495(4) . ?
Cd16 P1 2.504(5) . ?
Cd16 S24 2.526(4) . ?
Cd16 S29 2.540(4) . ?
Cd17 S27 2.503(4) . ?
Cd17 S23 2.543(4) . ?
Cd17 P2 2.577(5) . ?
Cd17 S28 2.582(4) . ?
S5 C1 1.782(7) . ?
S6 C7 1.794(7) . ?
S7 C13 1.767(7) . ?
S8 C19 1.794(7) . ?
S9 C25 1.873(7) . ?
S10 C31 1.848(7) . ?
S11 C37 1.871(7) . ?
S12 C43 1.870(7) . ?
S13 C49 1.758(7) . ?
S14 C55 1.717(7) . ?
S15 C61 1.800(7) . ?
S16 C67 1.772(7) . ?
S17 C73 1.852(7) . ?
S18 C79 1.789(7) . ?
S19 C85 1.746(7) . ?
S20 C91 1.696(7) . ?
S21 C97 1.782(7) . ?
S22 C103 1.737(7) . ?
S23 C109 1.814(7) . ?
S24 C115 1.864(7) . ?
S25 C121 1.843(7) . ?
S26 C127 1.966(7) . ?
S27 C133 1.798(8) . ?
S28 C139 1.763(7) . ?
S29 C145 1.842(8) . ?
S30 C151 1.787(7) . ?
P1 C357 1.714(8) . ?
P1 C360 1.724(9) . ?
P1 C363 1.758(9) . ?
P2 C366 1.697(9) . ?
P2 C369 1.747(10) . ?
P2 C372 1.756(8) . ?
Cd18 S32 2.546(3) . ?
Cd18 S50 2.549(3) . ?
Cd18 S43 2.558(3) . ?
Cd18 S46 2.575(3) . ?
Cd19 S32 2.464(3) . ?
Cd19 S34 2.483(3) . ?
Cd19 S33 2.486(3) . ?
Cd19 S31 2.503(3) . ?
Cd20 S41 2.491(3) . ?
Cd20 S47 2.510(3) . ?
Cd20 S32 2.511(3) . ?
Cd20 S36 2.578(3) . ?
Cd21 S38 2.521(3) . ?
Cd21 S40 2.521(3) . ?
Cd21 S42 2.547(3) . ?
Cd21 S31 2.553(3) . ?
Cd22 S31 2.531(3) . ?
Cd22 S36 2.531(3) . ?
Cd22 S39 2.535(3) . ?
Cd22 S49 2.553(3) . ?
Cd23 S45 2.510(3) . ?
Cd23 S37 2.525(3) . ?
Cd23 S31 2.530(3) . ?
Cd23 S35 2.535(3) . ?
Cd24 S56 2.479(4) . ?
Cd24 S40 2.560(3) . ?
Cd24 S49 2.581(3) . ?
Cd24 S35 2.585(3) . ?
Cd25 S33 2.496(3) . ?
Cd25 S57 2.530(4) . ?
Cd25 S39 2.531(3) . ?
Cd25 S41 2.585(3) . ?
Cd26 S42 2.527(3) . ?
Cd26 S44 2.553(3) . ?
Cd26 S32 2.556(3) . ?
Cd26 S48 2.573(3) . ?
Cd27 S38 2.506(3) . ?
Cd27 S54 2.521(4) . ?
Cd27 S48 2.550(3) . ?
Cd27 S34 2.571(3) . ?
Cd28 S37 2.495(3) . ?
Cd28 S59 2.511(4) . ?
Cd28 S52 2.562(4) . ?
Cd28 S34 2.563(3) . ?
Cd29 S55 2.456(4) . ?
Cd29 S50 2.548(3) . ?
Cd29 S47 2.554(3) . ?
Cd29 S44 2.578(3) . ?
Cd30 S51 2.472(4) . ?
Cd30 S34 2.497(3) . ?
Cd30 S60 2.534(3) . ?
Cd30 S43 2.540(3) . ?
Cd31 S46 2.529(3) . ?
Cd31 S58 2.531(4) . ?
Cd31 S51 2.545(4) . ?
Cd31 S33 2.545(3) . ?
Cd32 S52 2.472(3) . ?
Cd32 S53 2.527(4) . ?
Cd32 S33 2.576(3) . ?
Cd32 S45 2.578(3) . ?
Cd33 S60 2.491(4) . ?
Cd33 P3 2.560(5) . ?
Cd33 S59 2.591(4) . ?
Cd33 S54 2.639(4) . ?
Cd34 S58 2.491(4) . ?
Cd34 S53 2.511(4) . ?
Cd34 P4 2.553(5) . ?
Cd34 S57 2.641(4) . ?
Cd34 C390 2.720(12) . ?
S35 C201 1.857(7) . ?
S36 C207 1.784(7) . ?
S37 C213 1.823(7) . ?
S38 C219 1.806(8) . ?
S39 C225 1.733(7) . ?
S40 C231 1.777(7) . ?
S41 C237 1.741(7) . ?
S42 C243 1.768(7) . ?
S43 C249 1.787(7) . ?
S44 C255 1.792(7) . ?
S45 C261 1.784(7) . ?
S46 C267 1.787(7) . ?
S47 C273 1.789(8) . ?
S48 C279 1.788(7) . ?
S49 C285 1.800(7) . ?
S50 C291 1.895(7) . ?
S51 C297 1.727(8) . ?
S52 C303 1.784(7) . ?
S53 C309 1.828(7) . ?
S54 C315 1.763(8) . ?
S55 C321 1.776(7) . ?
S56 C327 1.572(7) . ?
S57 C333 1.724(8) . ?
S58 C339 1.774(8) . ?
S59 C345 1.739(8) . ?
S60 C351 1.750(7) . ?
P3 C375 1.749(9) . ?
P3 C378 1.740(9) . ?
P3 C381 1.731(8) . ?
P4 C390 1.580(9) . ?
P4 C387 1.739(9) . ?
P4 C384 1.747(9) . ?
P4 C388 2.346(10) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.3900 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 C39 1.3900 . ?
C39 C40 1.3900 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C47 C48 1.3900 . ?
C49 C50 1.3900 . ?
C49 C54 1.3900 . ?
C50 C51 1.3900 . ?
C51 C52 1.3900 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C55 C56 1.3900 . ?
C55 C60 1.3900 . ?
C56 C57 1.3900 . ?
C57 C58 1.3900 . ?
C58 C59 1.3900 . ?
C59 C60 1.3900 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C62 C63 1.3900 . ?
C63 C64 1.3900 . ?
C64 C65 1.3900 . ?
C65 C66 1.3900 . ?
C67 C68 1.3900 . ?
C67 C72 1.3900 . ?
C68 C69 1.3900 . ?
C69 C70 1.3900 . ?
C70 C71 1.3900 . ?
C71 C72 1.3900 . ?
C73 C74 1.3900 . ?
C73 C78 1.3900 . ?
C74 C75 1.3900 . ?
C75 C76 1.3900 . ?
C76 C77 1.3900 . ?
C77 C78 1.3900 . ?
C79 C80 1.3900 . ?
C79 C84 1.3900 . ?
C80 C81 1.3900 . ?
C81 C82 1.3900 . ?
C82 C83 1.3900 . ?
C83 C84 1.3900 . ?
C85 C86 1.3900 . ?
C85 C90 1.3900 . ?
C86 C87 1.3900 . ?
C87 C88 1.3900 . ?
C88 C89 1.3900 . ?
C89 C90 1.3900 . ?
C91 C92 1.3900 . ?
C91 C96 1.3900 . ?
C92 C93 1.3900 . ?
C93 C94 1.3900 . ?
C94 C95 1.3900 . ?
C95 C96 1.3900 . ?
C97 C98 1.3900 . ?
C97 C102 1.3900 . ?
C98 C99 1.3900 . ?
C99 C100 1.3900 . ?
C100 C101 1.3900 . ?
C101 C102 1.3900 . ?
C103 C104 1.3900 . ?
C103 C108 1.3900 . ?
C104 C105 1.3900 . ?
C105 C106 1.3900 . ?
C106 C107 1.3900 . ?
C107 C108 1.3900 . ?
C109 C110 1.3900 . ?
C109 C114 1.3900 . ?
C110 C111 1.3900 . ?
C111 C112 1.3900 . ?
C112 C113 1.3900 . ?
C113 C114 1.3900 . ?
C115 C116 1.3900 . ?
C115 C120 1.3900 . ?
C116 C117 1.3900 . ?
C117 C118 1.3900 . ?
C118 C119 1.3900 . ?
C119 C120 1.3900 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C122 C123 1.3900 . ?
C123 C124 1.3900 . ?
C124 C125 1.3900 . ?
C125 C126 1.3900 . ?
C127 C128 1.3900 . ?
C127 C132 1.3900 . ?
C128 C129 1.3900 . ?
C129 C130 1.3900 . ?
C130 C131 1.3900 . ?
C131 C132 1.3900 . ?
C133 C134 1.3900 . ?
C133 C138 1.3900 . ?
C134 C135 1.3900 . ?
C135 C136 1.3900 . ?
C136 C137 1.3900 . ?
C137 C138 1.3900 . ?
C139 C140 1.3900 . ?
C139 C144 1.3900 . ?
C140 C141 1.3900 . ?
C141 C142 1.3900 . ?
C142 C143 1.3900 . ?
C143 C144 1.3900 . ?
C145 C146 1.3900 . ?
C145 C150 1.3900 . ?
C146 C147 1.3900 . ?
C147 C148 1.3900 . ?
C148 C149 1.3900 . ?
C149 C150 1.3900 . ?
C151 C152 1.3900 . ?
C151 C156 1.3900 . ?
C152 C153 1.3900 . ?
C153 C154 1.3900 . ?
C154 C155 1.3900 . ?
C155 C156 1.3900 . ?
C201 C202 1.3900 . ?
C201 C206 1.3900 . ?
C202 C203 1.3900 . ?
C203 C204 1.3900 . ?
C204 C205 1.3900 . ?
C205 C206 1.3900 . ?
C207 C208 1.3900 . ?
C207 C212 1.3900 . ?
C208 C209 1.3900 . ?
C209 C210 1.3900 . ?
C210 C211 1.3900 . ?
C211 C212 1.3900 . ?
C213 C214 1.3900 . ?
C213 C218 1.3900 . ?
C214 C215 1.3900 . ?
C215 C216 1.3900 . ?
C216 C217 1.3900 . ?
C217 C218 1.3900 . ?
C219 C220 1.3900 . ?
C219 C224 1.3900 . ?
C220 C221 1.3900 . ?
C221 C222 1.3900 . ?
C222 C223 1.3900 . ?
C223 C224 1.3900 . ?
C225 C226 1.3900 . ?
C225 C230 1.3900 . ?
C226 C227 1.3900 . ?
C227 C228 1.3900 . ?
C228 C229 1.3900 . ?
C229 C230 1.3900 . ?
C231 C232 1.3900 . ?
C231 C236 1.3900 . ?
C232 C233 1.3900 . ?
C233 C234 1.3900 . ?
C234 C235 1.3900 . ?
C235 C236 1.3900 . ?
C237 C238 1.3900 . ?
C237 C242 1.3900 . ?
C238 C239 1.3900 . ?
C239 C240 1.3900 . ?
C240 C241 1.3900 . ?
C241 C242 1.3900 . ?
C243 C244 1.3900 . ?
C243 C248 1.3900 . ?
C244 C245 1.3900 . ?
C245 C246 1.3900 . ?
C246 C247 1.3900 . ?
C247 C248 1.3900 . ?
C249 C250 1.3900 . ?
C249 C254 1.3900 . ?
C250 C251 1.3900 . ?
C251 C252 1.3900 . ?
C252 C253 1.3900 . ?
C253 C254 1.3900 . ?
C255 C256 1.3900 . ?
C255 C260 1.3900 . ?
C256 C257 1.3900 . ?
C257 C258 1.3900 . ?
C258 C259 1.3900 . ?
C259 C260 1.3900 . ?
C261 C262 1.3900 . ?
C261 C266 1.3900 . ?
C262 C263 1.3900 . ?
C263 C264 1.3900 . ?
C264 C265 1.3900 . ?
C265 C266 1.3900 . ?
C267 C268 1.3900 . ?
C267 C272 1.3900 . ?
C268 C269 1.3900 . ?
C269 C270 1.3900 . ?
C270 C271 1.3900 . ?
C271 C272 1.3900 . ?
C273 C274 1.3900 . ?
C273 C278 1.3900 . ?
C274 C275 1.3900 . ?
C275 C276 1.3900 . ?
C276 C277 1.3900 . ?
C277 C278 1.3900 . ?
C279 C280 1.3900 . ?
C279 C284 1.3900 . ?
C280 C281 1.3900 . ?
C281 C282 1.3900 . ?
C282 C283 1.3900 . ?
C283 C284 1.3900 . ?
C285 C286 1.3900 . ?
C285 C290 1.3900 . ?
C286 C287 1.3900 . ?
C287 C288 1.3900 . ?
C288 C289 1.3900 . ?
C289 C290 1.3900 . ?
C291 C292 1.3900 . ?
C291 C296 1.3900 . ?
C292 C293 1.3900 . ?
C293 C294 1.3900 . ?
C294 C295 1.3900 . ?
C295 C296 1.3900 . ?
C297 C298 1.3900 . ?
C297 C302 1.3900 . ?
C298 C299 1.3900 . ?
C299 C300 1.3900 . ?
C300 C301 1.3900 . ?
C301 C302 1.3900 . ?
C303 C304 1.3900 . ?
C303 C308 1.3900 . ?
C304 C305 1.3900 . ?
C305 C306 1.3900 . ?
C306 C307 1.3900 . ?
C307 C308 1.3900 . ?
C309 C310 1.3900 . ?
C309 C314 1.3900 . ?
C310 C311 1.3900 . ?
C311 C312 1.3900 . ?
C312 C313 1.3900 . ?
C313 C314 1.3900 . ?
C315 C316 1.3900 . ?
C315 C320 1.3900 . ?
C316 C317 1.3900 . ?
C317 C318 1.3900 . ?
C318 C319 1.3900 . ?
C319 C320 1.3900 . ?
C321 C322 1.3900 . ?
C321 C326 1.3900 . ?
C322 C323 1.3900 . ?
C323 C324 1.3900 . ?
C324 C325 1.3900 . ?
C325 C326 1.3900 . ?
C327 C328 1.3900 . ?
C327 C332 1.3900 . ?
C328 C329 1.3900 . ?
C329 C330 1.3900 . ?
C330 C331 1.3900 . ?
C331 C332 1.3900 . ?
C333 C334 1.3900 . ?
C333 C338 1.3900 . ?
C334 C335 1.3900 . ?
C335 C336 1.3900 . ?
C336 C337 1.3900 . ?
C337 C338 1.3900 . ?
C339 C340 1.3900 . ?
C339 C344 1.3900 . ?
C340 C341 1.3900 . ?
C341 C342 1.3900 . ?
C342 C343 1.3900 . ?
C343 C344 1.3900 . ?
C345 C346 1.3900 . ?
C345 C350 1.3900 . ?
C346 C347 1.3900 . ?
C347 C348 1.3900 . ?
C348 C349 1.3900 . ?
C349 C350 1.3900 . ?
C351 C352 1.3900 . ?
C351 C356 1.3900 . ?
C352 C353 1.3900 . ?
C353 C354 1.3900 . ?
C354 C355 1.3900 . ?
C355 C356 1.3900 . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C1S C7S 1.4817 . ?
C2S C3S 1.3900 . ?
C3S C4S 1.3900 . ?
C4S C5S 1.3900 . ?
C5S C6S 1.3900 . ?
C8S C9S 1.3900 . ?
C8S C13S 1.3900 . ?
C8S C14S 1.5292 . ?
C9S C10S 1.3900 . ?
C10S C11S 1.3900 . ?
C11S C12S 1.3900 . ?
C12S C13S 1.3900 . ?
C357 C358 1.646(10) . ?
C358 C359 1.633(11) . ?
C360 C361 1.658(11) . ?
C361 C362 1.618(11) . ?
C363 C364 1.667(9) . ?
C364 C365 1.656(11) . ?
C366 C367 1.649(11) . ?
C367 C368 1.628(10) . ?
C369 C370 1.652(9) . ?
C370 C371 1.624(12) . ?
C372 C373 1.659(11) . ?
C373 C374 1.667(10) . ?
C375 C376 1.685(10) . ?
C376 C377 1.627(11) . ?
C378 C379 1.634(10) . ?
C379 C380 1.648(11) . ?
C381 C382 1.656(11) . ?
C382 C383 1.612(10) . ?
C384 C385 1.639(11) . ?
C385 C386 1.606(11) . ?
C387 C388 1.651(10) . ?
C388 C389 1.625(11) . ?
C390 C391 1.594(10) . ?
C391 C392 1.664(11) . ?
