#------------------------------------------------------------------------------
#$Date: 2018-06-07 18:04:29 +0300 (Thu, 07 Jun 2018) $
#$Revision: 208184 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/08/7230850.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_7230850
loop_
_publ_author_name
'Mei, Peifeng'
'Matsumoto, Akinobu'
'Hayashi, Hironobu'
'Suzuki, Mitsuharu'
'Aratani, Naoki'
'Yamada, Hiroko'
_publ_section_title
;
 1,3-Phenylene-bridged naphthalene wheels synthesized by one-pot
 Suzuki--Miyaura coupling and the complex of the hexamer with C60
;
_journal_issue                   37
_journal_name_full               'RSC Advances'
_journal_page_first              20872
_journal_paper_doi               10.1039/C8RA03601B
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'C96 H60, C60, 4(C6 H5 Cl)'
_chemical_formula_sum            'C180 H80 Cl4'
_chemical_formula_weight         2384.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-04-23 deposited with the CCDC.
2018-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                94.214(7)
_cell_angle_beta                 94.286(7)
_cell_angle_gamma                101.721(7)
_cell_formula_units_Z            1
_cell_length_a                   11.110(5)
_cell_length_b                   14.775(6)
_cell_length_c                   17.361(7)
_cell_measurement_reflns_used    1908
_cell_measurement_temperature    90
_cell_measurement_theta_max      23.08
_cell_measurement_theta_min      2.31
_cell_volume                     2771(2)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.1098
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15703
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.758
_exptl_absorpt_coefficient_mu    0.174
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       prism
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.332
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1093
_refine_ls_number_reflns         10790
_refine_ls_number_restraints     517
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1500
_refine_ls_R_factor_gt           0.0691
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0792P)²+2.1307P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1522
_refine_ls_wR_factor_ref         0.2025
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5712
_reflns_number_total             10790
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra03601b2.cif
_cod_data_source_block           40224PM_0m
_cod_database_code               7230850
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.966
_shelx_estimated_absorpt_t_max   0.998
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1985(18) 0.4480(11) 0.3621(11) 0.039(4) Uani 0.657(11) 1 d D U P A 1
C2 C 0.2827(17) 0.455(3) 0.4309(18) 0.033(3) Uani 0.657(11) 1 d D U P A 1
C3 C 0.325(3) 0.5392(15) 0.4810(18) 0.036(5) Uani 0.657(11) 1 d . U P A 1
C4 C 0.2841(17) 0.6202(11) 0.4470(8) 0.028(3) Uani 0.657(11) 1 d D U P A 1
C5 C 0.2103(15) 0.6156(13) 0.3778(10) 0.036(3) Uani 0.657(11) 1 d D U P A 1
C6 C 0.1692(15) 0.5284(10) 0.3342(9) 0.038(3) Uani 0.657(11) 1 d D U P A 1
C7 C 0.0416(12) 0.5205(11) 0.3019(7) 0.042(3) Uani 0.657(11) 1 d D U P A 1
C8 C -0.0420(17) 0.4394(12) 0.2977(13) 0.057(4) Uani 0.657(11) 1 d D U P A 1
C9 C -0.0088(10) 0.3591(7) 0.3250(5) 0.064(3) Uani 0.657(11) 1 d . U P A 1
C10 C 0.1092(11) 0.3618(8) 0.3566(6) 0.049(3) Uani 0.657(11) 1 d D U P A 1
C11 C 0.1215(12) 0.3126(8) 0.4226(8) 0.035(3) Uani 0.657(11) 1 d . U P A 1
C12 C 0.2398(8) 0.3785(7) 0.4702(6) 0.027(2) Uani 0.657(11) 1 d . U P A 1
C13 C 0.2372(15) 0.3822(9) 0.5529(8) 0.040(4) Uani 0.657(11) 1 d . U P A 1
C14 C 0.2780(7) 0.4701(7) 0.5950(6) 0.048(3) Uani 0.657(11) 1 d . U P A 1
C15 C 0.3184(12) 0.5490(8) 0.5592(10) 0.045(3) Uani 0.657(11) 1 d . U P A 1
C16 C 0.2839(13) 0.6324(11) 0.5867(10) 0.046(4) Uani 0.657(11) 1 d . U P A 1
C17 C 0.2642(16) 0.6814(13) 0.5118(9) 0.044(4) Uani 0.657(11) 1 d D U P A 1
C18 C 0.181(2) 0.7305(18) 0.508(2) 0.060(6) Uani 0.657(11) 1 d . U P A 1
C19 C 0.0998(11) 0.7215(6) 0.4375(7) 0.050(3) Uani 0.657(11) 1 d . U P A 1
C20 C 0.1117(10) 0.6673(7) 0.3727(6) 0.049(3) Uani 0.657(11) 1 d D U P A 1
C21 C 0.0061(15) 0.6085(16) 0.3261(16) 0.050(3) Uani 0.657(11) 1 d . U P A 1
C22 C -0.1145(11) 0.6076(9) 0.3427(8) 0.044(3) Uani 0.657(11) 1 d . U P A 1
C23 C -0.2039(14) 0.5182(12) 0.3380(8) 0.043(4) Uani 0.657(11) 1 d . U P A 1
C24 C -0.1687(14) 0.4368(10) 0.3178(8) 0.056(5) Uani 0.657(11) 1 d D U P A 1
C25 C 0.0326(15) 0.2683(10) 0.4626(8) 0.046(3) Uani 0.657(11) 1 d . U P A 1
C26 C 0.0338(12) 0.2777(8) 0.5460(9) 0.047(3) Uani 0.657(11) 1 d . U P A 1
C27 C 0.1303(13) 0.3327(9) 0.5929(8) 0.046(4) Uani 0.657(11) 1 d . U P A 1
C28 C 0.2104(12) 0.6413(8) 0.6451(8) 0.053(3) Uani 0.657(11) 1 d . U P A 1
C29 C 0.1115(13) 0.6944(9) 0.6357(9) 0.052(4) Uani 0.657(11) 1 d . U P A 1
C30 C 0.0952(8) 0.7367(5) 0.5709(8) 0.039(2) Uani 0.657(11) 1 d . U P A 1
C31 C -0.4757(3) 0.3403(3) 0.1853(2) 0.0236(8) Uani 1 1 d . . . . .
H1 H -0.4038 0.3699 0.2178 0.028 Uiso 1 1 calc R U . . .
C32 C -0.5649(3) 0.3918(2) 0.1649(2) 0.0207(8) Uani 1 1 d . . . . .
C33 C -0.6692(3) 0.3477(3) 0.1168(2) 0.0256(9) Uani 1 1 d . . . . .
H2 H -0.7311 0.3809 0.1025 0.031 Uiso 1 1 calc R U . . .
C34 C -0.6829(3) 0.2550(3) 0.0895(2) 0.0281(9) Uani 1 1 d . . . . .
H3 H -0.7536 0.2255 0.0560 0.034 Uiso 1 1 calc R U . . .
C35 C -0.5948(3) 0.2052(3) 0.1107(2) 0.0249(9) Uani 1 1 d . . . . .
H4 H -0.6057 0.1418 0.0920 0.030 Uiso 1 1 calc R U . . .
C36 C -0.4902(3) 0.2478(3) 0.1595(2) 0.0211(8) Uani 1 1 d . . . . .
C37 C -0.4007(3) 0.1905(2) 0.1859(2) 0.0234(8) Uani 1 1 d . . . . .
C38 C -0.4436(3) 0.1146(3) 0.2259(2) 0.0280(9) Uani 1 1 d . . . . .
H5 H -0.5278 0.1010 0.2364 0.034 Uiso 1 1 calc R U . . .
C39 C -0.3650(3) 0.0573(3) 0.2513(2) 0.0293(9) Uani 1 1 d . . . . .
H6 H -0.3974 0.0053 0.2782 0.035 Uiso 1 1 calc R U . . .
C40 C -0.2427(3) 0.0745(2) 0.2382(2) 0.0226(8) Uani 1 1 d . . . . .
C41 C -0.1949(3) 0.1507(2) 0.1956(2) 0.0206(8) Uani 1 1 d . . . . .
C42 C -0.0723(3) 0.1687(3) 0.1742(2) 0.0267(9) Uani 1 1 d . . . . .
H7 H -0.0182 0.1303 0.1908 0.032 Uiso 1 1 calc R U . . .
C43 C -0.0294(4) 0.2394(3) 0.1306(2) 0.0328(10) Uani 1 1 d . . . . .
H8 H 0.0536 0.2502 0.1177 0.039 Uiso 1 1 calc R U . . .
C44 C -0.1087(4) 0.2963(3) 0.1046(2) 0.0324(10) Uani 1 1 d . . . . .
H9 H -0.0793 0.3451 0.0736 0.039 Uiso 1 1 calc R U . . .
C45 C -0.2271(3) 0.2816(2) 0.1236(2) 0.0245(9) Uani 1 1 d . . . . .
H10 H -0.2790 0.3210 0.1060 0.029 Uiso 1 1 calc R U . . .
C46 C -0.2752(3) 0.2093(2) 0.1690(2) 0.0214(8) Uani 1 1 d . . . . .
C47 C -0.1634(3) 0.0116(3) 0.2674(2) 0.0240(9) Uani 1 1 d . . . . .
C48 C -0.1993(4) -0.0843(3) 0.2483(2) 0.0301(9) Uani 1 1 d . . . . .
H11 H -0.2735 -0.1088 0.2161 0.036 Uiso 1 1 calc R U . . .
C49 C -0.1287(4) -0.1435(3) 0.2753(2) 0.0320(10) Uani 1 1 d . . . . .
H12 H -0.1536 -0.2084 0.2613 0.038 Uiso 1 1 calc R U . . .
C50 C -0.0213(3) -0.1086(2) 0.3228(2) 0.0270(9) Uani 1 1 d . . . . .
H13 H 0.0280 -0.1499 0.3403 0.032 Uiso 1 1 calc R U . . .
C51 C 0.0160(3) -0.0141(2) 0.3456(2) 0.0216(8) Uani 1 1 d . . . . .
C52 C -0.0567(3) 0.0454(2) 0.3166(2) 0.0213(8) Uani 1 1 d . . . . .
H14 H -0.0325 0.1102 0.3310 0.026 Uiso 1 1 calc R U . . .
C53 C 0.1259(3) 0.0207(2) 0.4015(2) 0.0205(8) Uani 1 1 d . . . . .
C54 C 0.1373(3) -0.0238(2) 0.4685(2) 0.0245(9) Uani 1 1 d . . . . .
H15 H 0.0759 -0.0765 0.4763 0.029 Uiso 1 1 calc R U . . .
C55 C 0.2369(3) 0.0068(2) 0.5249(2) 0.0235(8) Uani 1 1 d . . . . .
H16 H 0.2427 -0.0269 0.5691 0.028 Uiso 1 1 calc R U . . .
C56 C 0.3262(3) 0.0840(2) 0.5182(2) 0.0217(8) Uani 1 1 d . . . . .
C57 C 0.3208(3) 0.1310(2) 0.4490(2) 0.0201(8) Uani 1 1 d . . . . .
C58 C 0.4146(3) 0.2071(2) 0.4354(2) 0.0225(8) Uani 1 1 d . . . . .
H17 H 0.4817 0.2292 0.4738 0.027 Uiso 1 1 calc R U . . .
C59 C 0.4105(3) 0.2494(3) 0.3682(2) 0.0256(9) Uani 1 1 d . . . . .
H18 H 0.4740 0.3009 0.3608 0.031 Uiso 1 1 calc R U . . .
C60 C 0.3140(3) 0.2175(2) 0.3101(2) 0.0245(9) Uani 1 1 d . . . . .
H19 H 0.3120 0.2474 0.2635 0.029 Uiso 1 1 calc R U . . .
C61 C 0.2224(3) 0.1434(2) 0.3203(2) 0.0215(8) Uani 1 1 d . . . . .
H20 H 0.1583 0.1215 0.2798 0.026 Uiso 1 1 calc R U . . .
C62 C 0.2206(3) 0.0981(2) 0.3901(2) 0.0195(8) Uani 1 1 d . . . . .
C63 C 0.4274(3) 0.1185(2) 0.5811(2) 0.0207(8) Uani 1 1 d . . . . .
C64 C 0.5182(3) 0.0686(3) 0.5979(2) 0.0256(9) Uani 1 1 d . . . . .
H21 H 0.5155 0.0106 0.5696 0.031 Uiso 1 1 calc R U . . .
C65 C 0.6129(3) 0.1034(3) 0.6561(2) 0.0263(9) Uani 1 1 d . . . . .
H22 H 0.6760 0.0699 0.6664 0.032 Uiso 1 1 calc R U . . .
C66 C 0.6156(3) 0.1866(3) 0.6992(2) 0.0248(9) Uani 1 1 d . . . . .
H23 H 0.6808 0.2098 0.7387 0.030 Uiso 1 1 calc R U . . .
C67 C 0.5228(3) 0.2369(2) 0.6850(2) 0.0212(8) Uani 1 1 d . . . . .
C68 C 0.4308(3) 0.2018(2) 0.6252(2) 0.0234(8) Uani 1 1 d . . . . .
H24 H 0.3685 0.2356 0.6142 0.028 Uiso 1 1 calc R U . . .
C69 C 0.5255(3) 0.3282(2) 0.7276(2) 0.0213(8) Uani 1 1 d . . . . .
C70 C 0.5126(3) 0.4018(2) 0.6864(2) 0.0235(8) Uani 1 1 d . . . . .
H25 H 0.4952 0.3916 0.6316 0.028 Uiso 1 1 calc R U . . .
C71 C 0.5240(3) 0.4910(3) 0.7219(2) 0.0243(9) Uani 1 1 d . . . . .
H26 H 0.5143 0.5399 0.6909 0.029 Uiso 1 1 calc R U . . .
C73 C 0.5578(3) 0.4355(2) 0.8474(2) 0.0223(8) Uani 1 1 d . . . . .
C72 C 0.5489(3) 0.5104(2) 0.8010(2) 0.0222(8) Uani 1 1 d . . . . .
C74 C 0.5730(3) 0.4479(3) 0.9295(2) 0.0255(9) Uani 1 1 d . . . . .
H27 H 0.5843 0.5086 0.9549 0.031 Uiso 1 1 calc R U . . .
C75 C 0.5719(4) 0.3744(3) 0.9726(2) 0.0325(10) Uani 1 1 d . . . . .
H28 H 0.5821 0.3846 1.0276 0.039 Uiso 1 1 calc R U . . .
C76 C 0.5558(4) 0.2842(3) 0.9371(2) 0.0353(10) Uani 1 1 d . . . . .
H29 H 0.5539 0.2334 0.9679 0.042 Uiso 1 1 calc R U . . .
C77 C 0.5430(4) 0.2695(3) 0.8586(2) 0.0301(9) Uani 1 1 d . . . . .
H30 H 0.5328 0.2081 0.8349 0.036 Uiso 1 1 calc R U . . .
C78 C 0.5445(3) 0.3437(2) 0.8111(2) 0.0226(8) Uani 1 1 d . . . . .
C79 C 0.0150(4) 0.3994(3) 0.8943(3) 0.0467(12) Uani 1 1 d . . . . .
C80 C 0.1227(4) 0.4527(3) 0.8774(3) 0.0480(12) Uani 1 1 d . . . . .
H31 H 0.1255 0.5151 0.8662 0.058 Uiso 1 1 calc R U . . .
C81 C 0.2283(4) 0.4168(4) 0.8762(3) 0.0537(13) Uani 1 1 d . . . . .
H32 H 0.3024 0.4549 0.8634 0.064 Uiso 1 1 calc R U . . .
C82 C 0.2290(6) 0.3311(4) 0.8925(3) 0.0639(16) Uani 1 1 d . . . . .
H33 H 0.3028 0.3080 0.8924 0.077 Uiso 1 1 calc R U . . .
C83 C 0.1162(6) 0.2738(4) 0.9104(3) 0.0689(17) Uani 1 1 d . . . . .
H34 H 0.1148 0.2119 0.9223 0.083 Uiso 1 1 calc R U . . .
C84 C 0.0097(5) 0.3081(4) 0.9102(3) 0.0601(15) Uani 1 1 d . . . . .
H35 H -0.0658 0.2700 0.9209 0.072 Uiso 1 1 calc R U . . .
Cl2 Cl -0.2152(3) -0.04927(18) 0.05901(16) 0.0548(10) Uani 0.484(4) 1 d . . P B
1
C85 C -0.1971(8) 0.0056(5) -0.0212(4) 0.120(11) Uiso 0.484(4) 1 d G . P B 1
C86 C -0.1127(6) -0.0146(4) -0.0717(4) 0.036(2) Uani 0.484(4) 1 d G . P B 1
H36 H -0.0672 -0.0609 -0.0613 0.043 Uiso 0.484(4) 1 calc R U P B 1
C87 C -0.0950(6) 0.0331(5) -0.1374(4) 0.028(3) Uiso 0.484(4) 1 d G . P B 1
H46 H -0.0373 0.0193 -0.1719 0.033 Uiso 0.484(4) 1 calc R U P B 1
C88 C -0.1615(7) 0.1009(6) -0.1527(4) 0.057(4) Uani 0.484(4) 1 d G . P B 1
H38 H -0.1494 0.1334 -0.1976 0.068 Uiso 0.484(4) 1 calc R U P B 1
C89 C -0.2459(6) 0.1211(5) -0.1022(4) 0.057(3) Uani 0.484(4) 1 d G . P B 1
H39 H -0.2914 0.1674 -0.1127 0.069 Uiso 0.484(4) 1 calc R U P B 1
C90 C -0.2636(7) 0.0734(5) -0.0365(4) 0.050(3) Uani 0.484(4) 1 d G . P B 1
H40 H -0.3213 0.0872 -0.0020 0.060 Uiso 0.484(4) 1 calc R U P B 1
Cl3 Cl -0.1403(5) 0.0507(2) -0.1671(3) 0.1011(18) Uani 0.516(4) 1 d . . P B 2
C91 C -0.2301(6) 0.0349(4) -0.0930(4) 0.065(3) Uani 0.516(4) 1 d G . P B 2
C92 C -0.3485(7) 0.0522(4) -0.1021(5) 0.064(3) Uani 0.516(4) 1 d G . P B 2
H41 H -0.3773 0.0728 -0.1492 0.077 Uiso 0.516(4) 1 calc R U P B 2
C93 C -0.4247(5) 0.0393(5) -0.0421(6) 0.075(4) Uani 0.516(4) 1 d G . P B 2
H42 H -0.5057 0.0511 -0.0483 0.090 Uiso 0.516(4) 1 calc R U P B 2
C94 C -0.3825(8) 0.0092(5) 0.0269(5) 0.093(5) Uani 0.516(4) 1 d G . P B 2
H43 H -0.4346 0.0004 0.0678 0.112 Uiso 0.516(4) 1 calc R U P B 2
C95 C -0.2641(9) -0.0081(5) 0.0359(3) 0.148(10) Uani 0.516(4) 1 d G . P B 2
H44 H -0.2353 -0.0287 0.0831 0.177 Uiso 0.516(4) 1 calc R U P B 2
C96 C -0.1879(6) 0.0048(4) -0.0240(4) 0.028(3) Uiso 0.516(4) 1 d G . P B 2
H45 H -0.1069 -0.0070 -0.0178 0.034 Uiso 0.516(4) 1 calc R U P B 2
Cl1 Cl -0.11655(13) 0.44428(12) 0.89591(11) 0.0887(6) Uani 1 1 d . . . . .
C97 C 0.203(3) 0.471(2) 0.354(2) 0.031(6) Uani 0.343(11) 1 d D U P A 2
C98 C 0.175(3) 0.5622(14) 0.346(2) 0.041(6) Uani 0.343(11) 1 d D U P A 2
C99 C 0.050(3) 0.5488(15) 0.306(2) 0.045(7) Uiso 0.343(11) 1 d D U P A 2
C100 C -0.005(2) 0.450(2) 0.299(3) 0.050(7) Uani 0.343(11) 1 d D U P A 2
C101 C 0.0878(14) 0.4020(10) 0.3260(10) 0.035(4) Uani 0.343(11) 1 d D U P A 2
C102 C 0.0532(15) 0.3204(11) 0.3693(10) 0.031(4) Uani 0.343(11) 1 d . U P A 2
C103 C 0.137(3) 0.313(2) 0.4451(14) 0.032(6) Uiso 0.343(11) 1 d . U P A 2
C104 C 0.215(3) 0.357(2) 0.4689(17) 0.061(8) Uiso 0.343(11) 1 d D U P A 2
C105 C 0.258(4) 0.456(5) 0.424(4) 0.033(3) Uani 0.343(11) 1 d . U P A 2
C106 C 0.308(5) 0.535(3) 0.468(3) 0.029(7) Uani 0.343(11) 1 d D U P A 2
C107 C 0.297(4) 0.627(3) 0.4697(19) 0.042(8) Uani 0.343(11) 1 d D U P A 2
C108 C 0.228(3) 0.633(2) 0.399(2) 0.038(7) Uani 0.343(11) 1 d D U P A 2
C109 C 0.149(2) 0.6980(14) 0.4154(16) 0.048(5) Uani 0.343(11) 1 d D U P A 2
C110 C 0.0268(14) 0.6858(10) 0.3823(10) 0.039(4) Uani 0.343(11) 1 d D U P A 2
C111 C -0.024(4) 0.610(3) 0.324(3) 0.050(3) Uani 0.343(11) 1 d D U P A 2
C112 C -0.161(3) 0.567(2) 0.3385(17) 0.058(7) Uani 0.343(11) 1 d . U P A 2
C113 C -0.194(3) 0.478(2) 0.3260(18) 0.052(8) Uani 0.343(11) 1 d . U P A 2
C114 C -0.128(2) 0.407(2) 0.3102(16) 0.055(7) Uani 0.343(11) 1 d D U P A 2
C115 C -0.155(3) 0.3327(17) 0.3533(14) 0.047(6) Uani 0.343(11) 1 d . U P A 2
C116 C -0.072(3) 0.285(2) 0.383(2) 0.049(6) Uani 0.343(11) 1 d . U P A 2
C117 C -0.0768(16) 0.2568(12) 0.4658(11) 0.036(5) Uiso 0.343(11) 1 d . U P A 2
C118 C 0.044(3) 0.2718(19) 0.4988(16) 0.044(6) Uani 0.343(11) 1 d . U P A 2
C119 C 0.077(3) 0.301(2) 0.573(2) 0.060(9) Uani 0.343(11) 1 d . U P A 2
C120 C 0.183(2) 0.3682(18) 0.5986(17) 0.049(6) Uani 0.343(11) 1 d . U P A 2
C121 C 0.262(3) 0.410(2) 0.5412(19) 0.051(7) Uani 0.343(11) 1 d D U P A 2
C122 C 0.315(2) 0.5057(16) 0.5533(15) 0.035(5) Uani 0.343(11) 1 d . U P A 2
C123 C 0.2847(11) 0.5598(11) 0.6175(9) 0.039(4) Uani 0.343(11) 1 d . U P A 2
C124 C 0.259(3) 0.655(2) 0.599(2) 0.049(7) Uani 0.343(11) 1 d . U P A 2
C125 C 0.259(3) 0.682(3) 0.535(2) 0.055(8) Uani 0.343(11) 1 d D U P A 2
C126 C 0.163(4) 0.726(3) 0.499(4) 0.044(8) Uani 0.343(11) 1 d D U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C6 C1 C10 121.8(16) . .
C6 C1 C2 120(2) . .
C10 C1 C2 109.9(18) . .
C12 C2 C3 113(2) . .
C12 C2 C1 106(2) . .
C3 C2 C1 124(2) . .
C15 C3 C2 126(2) . .
C15 C3 C4 108(2) . .
C2 C3 C4 111(2) . .
C5 C4 C17 118.0(13) . .
C5 C4 C3 125.6(15) . .
C17 C4 C3 106.5(18) . .
C4 C5 C6 118.6(14) . .
C4 C5 C20 120.5(13) . .
C6 C5 C20 108.7(11) . .
C1 C6 C5 120.3(15) . .
C1 C6 C7 116.3(14) . .
C5 C6 C7 109.2(12) . .
C8 C7 C6 121.5(13) . .
C8 C7 C21 120.1(16) . .
C6 C7 C21 106.8(12) . .
C7 C8 C9 120.9(15) . .
C7 C8 C24 121.1(16) . .
C9 C8 C24 105.9(14) . .
C10 C9 C8 120.7(13) . .
C10 C9 C29 116.8(12) . 2_566
C8 C9 C29 110.4(12) . 2_566
C9 C10 C11 116.9(12) . .
C9 C10 C1 118.8(14) . .
C11 C10 C1 111.9(12) . .
C25 C11 C10 128.5(13) . .
C25 C11 C12 118.0(11) . .
C10 C11 C12 100.9(10) . .
C2 C12 C13 123.6(16) . .
C2 C12 C11 110.8(13) . .
C13 C12 C11 114.4(10) . .
C14 C13 C12 117.0(11) . .
C14 C13 C27 106.0(11) . .
C12 C13 C27 123.8(11) . .
C15 C14 C13 122.1(11) . .
C15 C14 C23 115.5(11) . 2_566
C13 C14 C23 111.9(11) . 2_566
C3 C15 C14 117.5(14) . .
C3 C15 C16 114.2(16) . .
C14 C15 C16 118.4(15) . .
C28 C16 C15 125.7(16) . .
C28 C16 C17 118.8(12) . .
C15 C16 C17 103.9(13) . .
C18 C17 C4 122(2) . .
C18 C17 C16 119(2) . .
C4 C17 C16 107.1(13) . .
C17 C18 C19 119(3) . .
C17 C18 C30 122(2) . .
C19 C18 C30 103.0(18) . .
C20 C19 C18 122.9(16) . .
C20 C19 C26 114.9(11) . 2_566
C18 C19 C26 112.3(16) . 2_566
C19 C20 C5 116.5(12) . .
C19 C20 C21 122.6(13) . .
C5 C20 C21 107.8(11) . .
C22 C21 C20 122.0(15) . .
C22 C21 C7 119.5(19) . .
C20 C21 C7 107.5(11) . .
C21 C22 C27 116.7(13) . 2_566
C21 C22 C23 119.3(15) . .
C27 C22 C23 111.2(12) 2_566 .
C24 C23 C22 120.6(14) . .
C24 C23 C14 122.6(14) . 2_566
C22 C23 C14 103.2(12) . 2_566
C23 C24 C28 120.5(16) . 2_566
C23 C24 C8 119.3(14) . .
C28 C24 C8 110.2(14) 2_566 .
C11 C25 C26 124.7(13) . .
C11 C25 C30 115.4(11) . 2_566
C26 C25 C30 108.1(12) . 2_566
C27 C26 C25 122.3(12) . .
C27 C26 C19 120.0(12) . 2_566
C25 C26 C19 105.6(13) . 2_566
C26 C27 C22 123.5(13) . 2_566
C26 C27 C13 116.6(12) . .
C22 C27 C13 107.7(11) 2_566 .
C16 C28 C24 117.1(13) . 2_566
C16 C28 C29 120.0(13) . .
C24 C28 C29 109.7(14) 2_566 .
C30 C29 C28 120.8(13) . .
C30 C29 C9 124.1(12) . 2_566
C28 C29 C9 103.7(13) . 2_566
C29 C30 C25 118.1(11) . 2_566
C29 C30 C18 119.0(12) . .
C25 C30 C18 111.0(13) 2_566 .
C36 C31 C32 121.7(4) . .
C36 C31 H1 119.1 . .
C32 C31 H1 119.1 . .
C33 C32 C31 118.5(3) . .
C33 C32 C72 122.0(3) . 2_566
C31 C32 C72 119.4(3) . 2_566
C34 C33 C32 119.9(3) . .
C34 C33 H2 120.1 . .
C32 C33 H2 120.1 . .
C35 C34 C33 120.8(4) . .
C35 C34 H3 119.6 . .
C33 C34 H3 119.6 . .
C34 C35 C36 120.2(4) . .
C34 C35 H4 119.9 . .
C36 C35 H4 119.9 . .
C31 C36 C35 118.9(3) . .
C31 C36 C37 122.0(3) . .
C35 C36 C37 119.0(3) . .
C38 C37 C46 119.1(3) . .
C38 C37 C36 118.4(3) . .
C46 C37 C36 122.5(3) . .
C37 C38 C39 121.2(3) . .
C37 C38 H5 119.4 . .
C39 C38 H5 119.4 . .
C40 C39 C38 121.6(3) . .
C40 C39 H6 119.2 . .
C38 C39 H6 119.2 . .
C39 C40 C41 119.3(3) . .
C39 C40 C47 119.0(3) . .
C41 C40 C47 121.7(3) . .
C42 C41 C40 122.7(3) . .
C42 C41 C46 117.8(3) . .
C40 C41 C46 119.4(3) . .
C43 C42 C41 122.1(3) . .
C43 C42 H7 118.9 . .
C41 C42 H7 118.9 . .
C42 C43 C44 119.8(4) . .
C42 C43 H8 120.1 . .
C44 C43 H8 120.1 . .
C45 C44 C43 120.2(4) . .
C45 C44 H9 119.9 . .
C43 C44 H9 119.9 . .
C44 C45 C46 121.9(3) . .
C44 C45 H10 119.0 . .
C46 C45 H10 119.0 . .
C45 C46 C37 122.2(3) . .
C45 C46 C41 118.3(3) . .
C37 C46 C41 119.4(3) . .
C52 C47 C48 118.5(3) . .
C52 C47 C40 121.5(3) . .
C48 C47 C40 119.9(3) . .
C49 C48 C47 120.9(4) . .
C49 C48 H11 119.6 . .
C47 C48 H11 119.6 . .
C48 C49 C50 119.9(4) . .
C48 C49 H12 120.0 . .
C50 C49 H12 120.0 . .
C49 C50 C51 121.3(3) . .
C49 C50 H13 119.4 . .
C51 C50 H13 119.4 . .
C50 C51 C52 117.9(4) . .
C50 C51 C53 120.2(3) . .
C52 C51 C53 121.8(3) . .
C47 C52 C51 121.5(3) . .
C47 C52 H14 119.3 . .
C51 C52 H14 119.3 . .
C54 C53 C62 118.2(3) . .
C54 C53 C51 118.6(3) . .
C62 C53 C51 123.2(3) . .
C53 C54 C55 121.8(3) . .
C53 C54 H15 119.1 . .
C55 C54 H15 119.1 . .
C56 C55 C54 121.8(3) . .
C56 C55 H16 119.1 . .
C54 C55 H16 119.1 . .
C55 C56 C57 118.7(3) . .
C55 C56 C63 120.9(3) . .
C57 C56 C63 120.4(3) . .
C58 C57 C62 118.6(3) . .
C58 C57 C56 121.9(3) . .
C62 C57 C56 119.5(3) . .
C59 C58 C57 121.4(4) . .
C59 C58 H17 119.3 . .
C57 C58 H17 119.3 . .
C58 C59 C60 120.6(3) . .
C58 C59 H18 119.7 . .
C60 C59 H18 119.7 . .
C61 C60 C59 120.0(3) . .
C61 C60 H19 120.0 . .
C59 C60 H19 120.0 . .
C60 C61 C62 121.7(4) . .
C60 C61 H20 119.2 . .
C62 C61 H20 119.2 . .
C53 C62 C61 122.3(3) . .
C53 C62 C57 120.0(3) . .
C61 C62 C57 117.7(3) . .
C64 C63 C68 118.8(4) . .
C64 C63 C56 121.5(3) . .
C68 C63 C56 119.7(3) . .
C63 C64 C65 120.2(4) . .
C63 C64 H21 119.9 . .
C65 C64 H21 119.9 . .
C66 C65 C64 120.4(3) . .
C66 C65 H22 119.8 . .
C64 C65 H22 119.8 . .
C65 C66 C67 120.5(4) . .
C65 C66 H23 119.7 . .
C67 C66 H23 119.7 . .
C68 C67 C66 118.0(3) . .
C68 C67 C69 119.8(3) . .
C66 C67 C69 122.1(3) . .
C67 C68 C63 122.1(3) . .
C67 C68 H24 119.0 . .
C63 C68 H24 119.0 . .
C70 C69 C78 118.3(3) . .
C70 C69 C67 119.0(3) . .
C78 C69 C67 122.7(3) . .
C69 C70 C71 122.2(4) . .
C69 C70 H25 118.9 . .
C71 C70 H25 118.9 . .
C72 C71 C70 121.7(3) . .
C72 C71 H26 119.2 . .
C70 C71 H26 119.2 . .
C74 C73 C78 117.9(3) . .
C74 C73 C72 122.2(3) . .
C78 C73 C72 119.8(3) . .
C71 C72 C73 118.5(3) . .
C71 C72 C32 119.0(3) . 2_566
C73 C72 C32 122.5(3) . 2_566
C75 C74 C73 121.1(4) . .
C75 C74 H27 119.4 . .
C73 C74 H27 119.4 . .
C74 C75 C76 121.0(4) . .
C74 C75 H28 119.5 . .
C76 C75 H28 119.5 . .
C77 C76 C75 119.7(4) . .
C77 C76 H29 120.2 . .
C75 C76 H29 120.2 . .
C76 C77 C78 121.6(4) . .
C76 C77 H30 119.2 . .
C78 C77 H30 119.2 . .
C77 C78 C73 118.7(3) . .
C77 C78 C69 121.9(3) . .
C73 C78 C69 119.3(3) . .
C80 C79 C84 120.2(5) . .
C80 C79 Cl1 120.3(4) . .
C84 C79 Cl1 119.4(4) . .
C79 C80 C81 120.4(5) . .
C79 C80 H31 119.8 . .
C81 C80 H31 119.8 . .
C82 C81 C80 121.8(5) . .
C82 C81 H32 119.1 . .
C80 C81 H32 119.1 . .
C81 C82 C83 118.6(5) . .
C81 C82 H33 120.7 . .
C83 C82 H33 120.7 . .
C84 C83 C82 120.2(5) . .
C84 C83 H34 119.9 . .
C82 C83 H34 119.9 . .
C83 C84 C79 118.8(5) . .
C83 C84 H35 120.6 . .
C79 C84 H35 120.6 . .
C86 C85 C90 120.0 . .
C86 C85 Cl2 120.0(4) . .
C90 C85 Cl2 120.0(4) . .
C87 C86 C85 120.0 . .
C87 C86 H36 120.0 . .
C85 C86 H36 120.0 . .
C88 C87 C86 120.0 . .
C88 C87 H46 120.0 . .
C86 C87 H46 120.0 . .
C87 C88 C89 120.0 . .
C87 C88 H38 120.0 . .
C89 C88 H38 120.0 . .
C88 C89 C90 120.0 . .
C88 C89 H39 120.0 . .
C90 C89 H39 120.0 . .
C89 C90 C85 120.0 . .
C89 C90 H40 120.0 . .
C85 C90 H40 120.0 . .
C92 C91 C96 120.0 . .
C92 C91 Cl3 118.8(5) . .
C96 C91 Cl3 121.2(5) . .
C91 C92 C93 120.0 . .
C91 C92 H41 120.0 . .
C93 C92 H41 120.0 . .
C94 C93 C92 120.0 . .
C94 C93 H42 120.0 . .
C92 C93 H42 120.0 . .
C95 C94 C93 120.0 . .
C95 C94 H43 120.0 . .
C93 C94 H43 120.0 . .
C94 C95 C96 120.0 . .
C94 C95 H44 120.0 . .
C96 C95 H44 120.0 . .
C95 C96 C91 120.0 . .
C95 C96 H45 120.0 . .
C91 C96 H45 120.0 . .
C105 C97 C98 117(4) . .
C105 C97 C101 115(4) . .
C98 C97 C101 106(2) . .
C108 C98 C97 119(3) . .
C108 C98 C99 125(3) . .
C97 C98 C99 108.1(18) . .
C111 C99 C100 118(4) . .
C111 C99 C98 120(3) . .
C100 C99 C98 108.1(18) . .
C114 C100 C101 115(3) . .
C114 C100 C99 128(3) . .
C101 C100 C99 108(2) . .
C100 C101 C102 119.6(18) . .
C100 C101 C97 109.5(17) . .
C102 C101 C97 118.3(19) . .
C116 C102 C101 121.7(19) . .
C116 C102 C103 107(2) . .
C101 C102 C103 118.0(18) . .
C104 C103 C118 118(3) . .
C104 C103 C102 129(3) . .
C118 C103 C102 103(2) . .
C103 C104 C121 139(4) . .
C103 C104 C105 116(3) . .
C121 C104 C105 88(3) . .
C106 C105 C97 113(6) . .
C106 C105 C104 119(5) . .
C97 C105 C104 123(4) . .
C105 C106 C107 136(5) . .
C105 C106 C122 104(4) . .
C107 C106 C122 109(4) . .
C106 C107 C108 105(3) . .
C106 C107 C125 126(4) . .
C108 C107 C125 111(3) . .
C98 C108 C107 126(3) . .
C98 C108 C109 114(3) . .
C107 C108 C109 107(3) . .
C110 C109 C108 123(3) . .
C110 C109 C126 113(3) . .
C108 C109 C126 109(3) . .
C109 C110 C111 121(2) . .
C109 C110 C119 123(2) . 2_566
C111 C110 C119 105(2) . 2_566
C99 C111 C110 117(3) . .
C99 C111 C112 116(4) . .
C110 C111 C112 110(3) . .
C113 C112 C120 132(3) . 2_566
C113 C112 C111 117(3) . .
C120 C112 C111 101(3) 2_566 .
C112 C113 C114 133(3) . .
C112 C113 C123 111(3) . 2_566
C114 C113 C123 105(3) . 2_566
C115 C114 C100 123(3) . .
C115 C114 C113 115(3) . .
C100 C114 C113 108(3) . .
C116 C115 C114 125(3) . .
C116 C115 C124 118(3) . 2_566
C114 C115 C124 109(3) . 2_566
C115 C116 C102 115(3) . .
C115 C116 C117 120(3) . .
C102 C116 C117 110(2) . .
C126 C117 C118 124(3) 2_566 .
C126 C117 C116 116(3) 2_566 .
C118 C117 C116 107.1(19) . .
C119 C118 C117 123(3) . .
C119 C118 C103 114(3) . .
C117 C118 C103 113(2) . .
C118 C119 C120 123(3) . .
C118 C119 C110 114(3) . 2_566
C120 C119 C110 111(3) . 2_566
C119 C120 C121 119(3) . .
C119 C120 C112 112(3) . 2_566
C121 C120 C112 115(2) . 2_566
C122 C121 C104 127(3) . .
C122 C121 C120 118(3) . .
C104 C121 C120 106(3) . .
C121 C122 C123 120(2) . .
C121 C122 C106 101(3) . .
C123 C122 C106 123(2) . .
C122 C123 C113 123.9(19) . 2_566
C122 C123 C124 115(2) . .
C113 C123 C124 106.8(19) 2_566 .
C125 C124 C115 118(3) . 2_566
C125 C124 C123 123(3) . .
C115 C124 C123 104(3) 2_566 .
C124 C125 C107 121(3) . .
C124 C125 C126 125(4) . .
C107 C125 C126 105(4) . .
C117 C126 C109 122(3) 2_566 .
C117 C126 C125 123(5) 2_566 .
C109 C126 C125 107(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.403(16) .
C1 C10 1.439(18) .
C1 C2 1.45(2) .
C2 C12 1.39(4) .
C2 C3 1.43(4) .
C3 C15 1.36(3) .
C3 C4 1.51(2) .
C4 C5 1.391(15) .
C4 C17 1.451(9) .
C5 C6 1.417(16) .
C5 C20 1.458(13) .
C6 C7 1.463(18) .
C7 C8 1.352(18) .
C7 C21 1.475(19) .
C8 C9 1.416(18) .
C8 C24 1.470(19) .
C9 C10 1.375(16) .
C9 C29 1.489(18) 2_566
C10 C11 1.413(18) .
C11 C25 1.34(2) .
C11 C12 1.600(17) .
C12 C13 1.435(16) .
C13 C14 1.414(16) .
C13 C27 1.507(16) .
C14 C15 1.371(16) .
C14 C23 1.495(18) 2_566
C15 C16 1.424(18) .
C16 C28 1.36(2) .
C16 C17 1.56(2) .
C17 C18 1.29(2) .
C18 C19 1.44(3) .
C18 C30 1.52(4) .
C19 C20 1.363(17) .
C19 C26 1.535(17) 2_566
C20 C21 1.458(19) .
C21 C22 1.39(2) .
C22 C27 1.417(18) 2_566
C22 C23 1.476(17) .
C23 C24 1.368(16) .
C23 C14 1.495(18) 2_566
C24 C28 1.377(17) 2_566
C25 C26 1.443(16) .
C25 C30 1.479(18) 2_566
C26 C27 1.375(17) .
C26 C19 1.535(17) 2_566
C27 C22 1.417(18) 2_566
C28 C24 1.377(17) 2_566
C28 C29 1.480(14) .
C29 C30 1.346(17) .
C29 C9 1.489(18) 2_566
C30 C25 1.479(18) 2_566
C31 C36 1.379(5) .
C31 C32 1.407(5) .
C31 H1 0.9500 .
C32 C33 1.391(5) .
C32 C72 1.491(5) 2_566
C33 C34 1.390(5) .
C33 H2 0.9500 .
C34 C35 1.382(5) .
C34 H3 0.9500 .
C35 C36 1.394(5) .
C35 H4 0.9500 .
C36 C37 1.500(5) .
C37 C38 1.383(5) .
C37 C46 1.422(5) .
C38 C39 1.404(5) .
C38 H5 0.9500 .
C39 C40 1.370(5) .
C39 H6 0.9500 .
C40 C41 1.425(5) .
C40 C47 1.495(5) .
C41 C42 1.417(5) .
C41 C46 1.438(5) .
C42 C43 1.364(5) .
C42 H7 0.9500 .
C43 C44 1.409(5) .
C43 H8 0.9500 .
C44 C45 1.358(5) .
C44 H9 0.9500 .
C45 C46 1.415(5) .
C45 H10 0.9500 .
C47 C52 1.389(5) .
C47 C48 1.399(5) .
C48 C49 1.373(5) .
C48 H11 0.9500 .
C49 C50 1.382(5) .
C49 H12 0.9500 .
C50 C51 1.392(5) .
C50 H13 0.9500 .
C51 C52 1.404(5) .
C51 C53 1.480(5) .
C52 H14 0.9500 .
C53 C54 1.388(5) .
C53 C62 1.424(5) .
C54 C55 1.399(5) .
C54 H15 0.9500 .
C55 C56 1.370(5) .
C55 H16 0.9500 .
C56 C57 1.434(5) .
C56 C63 1.489(5) .
C57 C58 1.417(5) .
C57 C62 1.434(5) .
C58 C59 1.365(5) .
C58 H17 0.9500 .
C59 C60 1.398(5) .
C59 H18 0.9500 .
C60 C61 1.367(5) .
C60 H19 0.9500 .
C61 C62 1.427(5) .
C61 H20 0.9500 .
C63 C64 1.392(5) .
C63 C68 1.393(5) .
C64 C65 1.392(5) .
C64 H21 0.9500 .
C65 C66 1.384(5) .
C65 H22 0.9500 .
C66 C67 1.407(5) .
C66 H23 0.9500 .
C67 C68 1.392(5) .
C67 C69 1.485(5) .
C68 H24 0.9500 .
C69 C70 1.370(5) .
C69 C78 1.443(5) .
C70 C71 1.391(5) .
C70 H25 0.9500 .
C71 C72 1.376(5) .
C71 H26 0.9500 .
C73 C74 1.416(5) .
C73 C78 1.426(5) .
C73 C72 1.431(5) .
C72 C32 1.491(5) 2_566
C74 C75 1.363(5) .
C74 H27 0.9500 .
C75 C76 1.398(6) .
C75 H28 0.9500 .
C76 C77 1.356(5) .
C76 H29 0.9500 .
C77 C78 1.418(5) .
C77 H30 0.9500 .
C79 C80 1.357(6) .
C79 C84 1.386(7) .
C79 Cl1 1.725(5) .
C80 C81 1.383(6) .
C80 H31 0.9500 .
C81 C82 1.319(7) .
C81 H32 0.9500 .
C82 C83 1.431(8) .
C82 H33 0.9500 .
C83 C84 1.379(8) .
C83 H34 0.9500 .
C84 H35 0.9500 .
Cl2 C85 1.667(5) .
C85 C86 1.3900 .
C85 C90 1.3900 .
C86 C87 1.3900 .
C86 H36 0.9500 .
C87 C88 1.3900 .
C87 H46 0.9500 .
C88 C89 1.3900 .
C88 H38 0.9500 .
C89 C90 1.3900 .
C89 H39 0.9500 .
C90 H40 0.9500 .
Cl3 C91 1.686(6) .
C91 C92 1.3900 .
C91 C96 1.3900 .
C92 C93 1.3900 .
C92 H41 0.9500 .
C93 C94 1.3900 .
C93 H42 0.9500 .
C94 C95 1.3900 .
C94 H43 0.9500 .
C95 C96 1.3900 .
C95 H44 0.9500 .
C96 H45 0.9500 .
C97 C105 1.38(6) .
C97 C98 1.46(2) .
C97 C101 1.49(3) .
C98 C108 1.35(2) .
C98 C99 1.48(4) .
C99 C111 1.37(3) .
C99 C100 1.46(3) .
C100 C114 1.42(2) .
C100 C101 1.44(3) .
C101 C102 1.47(3) .
C102 C116 1.43(3) .
C102 C103 1.58(3) .
C103 C104 1.01(3) .
C103 C118 1.51(4) .
C104 C121 1.43(3) .
C104 C105 1.70(8) .
C105 C106 1.35(8) .
C106 C107 1.39(3) .
C106 C122 1.57(6) .
C107 C108 1.42(3) .
C107 C125 1.47(2) .
C108 C109 1.449(10) .
C109 C110 1.40(3) .
C109 C126 1.47(7) .
C110 C111 1.44(3) .
C110 C119 1.47(4) 2_566
C111 C112 1.57(5) .
C112 C113 1.28(4) .
C112 C120 1.47(4) 2_566
C113 C114 1.42(3) .
C113 C123 1.51(4) 2_566
C114 C115 1.37(4) .
C115 C116 1.37(3) .
C115 C124 1.50(4) 2_566
C116 C117 1.52(4) .
C117 C126 1.23(7) 2_566
C117 C118 1.39(4) .
C118 C119 1.33(4) .
C119 C120 1.40(3) .
C119 C110 1.47(4) 2_566
C120 C121 1.46(3) .
C120 C112 1.47(4) 2_566
C121 C122 1.41(4) .
C122 C123 1.42(3) .
C123 C113 1.51(4) 2_566
C123 C124 1.54(4) .
C124 C125 1.22(5) .
C124 C115 1.50(4) 2_566
C125 C126 1.47(3) .
C126 C117 1.23(7) 2_566
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6 C1 C2 C12 144.1(19) . .
C10 C1 C2 C12 -5(2) . .
C6 C1 C2 C3 10(4) . .
C10 C1 C2 C3 -138(2) . .
C12 C2 C3 C15 -4(3) . .
C1 C2 C3 C15 127(3) . .
C12 C2 C3 C4 -139(2) . .
C1 C2 C3 C4 -8(4) . .
C15 C3 C4 C5 -139.7(18) . .
C2 C3 C4 C5 3(4) . .
C15 C3 C4 C17 5(2) . .
C2 C3 C4 C17 147(2) . .
C17 C4 C5 C6 -141.5(17) . .
C3 C4 C5 C6 0(3) . .
C17 C4 C5 C20 -3(3) . .
C3 C4 C5 C20 138(2) . .
C10 C1 C6 C5 137.7(17) . .
C2 C1 C6 C5 -7(3) . .
C10 C1 C6 C7 2(2) . .
C2 C1 C6 C7 -142.8(18) . .
C4 C5 C6 C1 3(2) . .
C20 C5 C6 C1 -140.1(15) . .
C4 C5 C6 C7 140.9(15) . .
C20 C5 C6 C7 -1.8(18) . .
C1 C6 C7 C8 -1(2) . .
C5 C6 C7 C8 -141.7(18) . .
C1 C6 C7 C21 141.5(19) . .
C5 C6 C7 C21 1(2) . .
C6 C7 C8 C9 0(3) . .
C21 C7 C8 C9 -138(2) . .
C6 C7 C8 C24 137.6(16) . .
C21 C7 C8 C24 -1(3) . .
C7 C8 C9 C10 0(3) . .
C24 C8 C9 C10 -142.6(12) . .
C7 C8 C9 C29 141.4(18) . 2_566
C24 C8 C9 C29 -1.4(18) . 2_566
C8 C9 C10 C11 139.7(15) . .
C29 C9 C10 C11 0.8(13) 2_566 .
C8 C9 C10 C1 0.5(18) . .
C29 C9 C10 C1 -138.4(13) 2_566 .
C6 C1 C10 C9 -2(2) . .
C2 C1 C10 C9 146.3(16) . .
C6 C1 C10 C11 -142.8(15) . .
C2 C1 C10 C11 5(2) . .
C9 C10 C11 C25 -5.3(18) . .
C1 C10 C11 C25 136.6(15) . .
C9 C10 C11 C12 -145.2(8) . .
C1 C10 C11 C12 -3.3(12) . .
C3 C2 C12 C13 0(2) . .
C1 C2 C12 C13 -138.8(17) . .
C3 C2 C12 C11 141.6(15) . .
C1 C2 C12 C11 3(2) . .
C25 C11 C12 C2 -144.8(16) . .
C10 C11 C12 C2 0.3(16) . .
C25 C11 C12 C13 0.4(15) . .
C10 C11 C12 C13 145.5(10) . .
C2 C12 C13 C14 1.7(19) . .
C11 C12 C13 C14 -138.5(11) . .
C2 C12 C13 C27 137.2(13) . .
C11 C12 C13 C27 -2.9(17) . .
C12 C13 C14 C15 0.2(17) . .
C27 C13 C14 C15 -142.6(11) . .
C12 C13 C14 C23 143.2(12) . 2_566
C27 C13 C14 C23 0.4(13) . 2_566
C2 C3 C15 C14 6(3) . .
C4 C3 C15 C14 141.6(16) . .
C2 C3 C15 C16 -139(2) . .
C4 C3 C15 C16 -4(2) . .
C13 C14 C15 C3 -4(2) . .
C23 C14 C15 C3 -145.6(17) 2_566 .
C13 C14 C15 C16 139.9(14) . .
C23 C14 C15 C16 -1.9(17) 2_566 .
C3 C15 C16 C28 143.0(18) . .
C14 C15 C16 C28 -2(2) . .
C3 C15 C16 C17 0.9(19) . .
C14 C15 C16 C17 -144.0(13) . .
C5 C4 C17 C18 0(3) . .
C3 C4 C17 C18 -147(3) . .
C5 C4 C17 C16 143.4(16) . .
C3 C4 C17 C16 -4(2) . .
C28 C16 C17 C18 1(3) . .
C15 C16 C17 C18 147(2) . .
C28 C16 C17 C4 -143.0(14) . .
C15 C16 C17 C4 2.3(17) . .
C4 C17 C18 C19 3(4) . .
C16 C17 C18 C19 -136(2) . .
C4 C17 C18 C30 134(2) . .
C16 C17 C18 C30 -4(3) . .
C17 C18 C19 C20 -4(4) . .
C30 C18 C19 C20 -143.5(12) . .
C17 C18 C19 C26 139(2) . 2_566
C30 C18 C19 C26 0.3(19) . 2_566
C18 C19 C20 C5 2(2) . .
C26 C19 C20 C5 -141.4(12) 2_566 .
C18 C19 C20 C21 138(2) . .
C26 C19 C20 C21 -4.9(18) 2_566 .
C4 C5 C20 C19 2(2) . .
C6 C5 C20 C19 144.1(13) . .
C4 C5 C20 C21 -140(2) . .
C6 C5 C20 C21 2(2) . .
C19 C20 C21 C22 3(3) . .
C5 C20 C21 C22 143(2) . .
C19 C20 C21 C7 -140.4(14) . .
C5 C20 C21 C7 -1(2) . .
C8 C7 C21 C22 -2(3) . .
C6 C7 C21 C22 -145.1(18) . .
C8 C7 C21 C20 143.3(17) . .
C6 C7 C21 C20 0(2) . .
C20 C21 C22 C27 0(3) . 2_566
C7 C21 C22 C27 140.1(17) . 2_566
C20 C21 C22 C23 -138(2) . .
C7 C21 C22 C23 2(3) . .
C21 C22 C23 C24 0(2) . .
C27 C22 C23 C24 -140.1(14) 2_566 .
C21 C22 C23 C14 141.6(16) . 2_566
C27 C22 C23 C14 1.2(15) 2_566 2_566
C22 C23 C24 C28 139.7(13) . 2_566
C14 C23 C24 C28 6(2) 2_566 2_566
C22 C23 C24 C8 -3(2) . .
C14 C23 C24 C8 -136.2(15) 2_566 .
C7 C8 C24 C23 3(3) . .
C9 C8 C24 C23 145.4(14) . .
C7 C8 C24 C28 -143.0(15) . 2_566
C9 C8 C24 C28 -0.3(19) . 2_566
C10 C11 C25 C26 -132.4(15) . .
C12 C11 C25 C26 2(2) . .
C10 C11 C25 C30 6.1(19) . 2_566
C12 C11 C25 C30 140.3(10) . 2_566
C11 C25 C26 C27 -2(2) . .
C30 C25 C26 C27 -142.5(12) 2_566 .
C11 C25 C26 C19 140.7(13) . 2_566
C30 C25 C26 C19 -0.2(13) 2_566 2_566
C25 C26 C27 C22 136.8(14) . 2_566
C19 C26 C27 C22 0(2) 2_566 2_566
C25 C26 C27 C13 -1.0(18) . .
C19 C26 C27 C13 -138.1(12) 2_566 .
C14 C13 C27 C26 142.9(11) . .
C12 C13 C27 C26 3.3(18) . .
C14 C13 C27 C22 -1.1(14) . 2_566
C12 C13 C27 C22 -140.7(12) . 2_566
C15 C16 C28 C24 2(2) . 2_566
C17 C16 C28 C24 139.1(13) . 2_566
C15 C16 C28 C29 -135.3(15) . .
C17 C16 C28 C29 1.9(19) . .
C16 C28 C29 C30 -2.1(18) . .
C24 C28 C29 C30 -142.1(11) 2_566 .
C16 C28 C29 C9 142.6(11) . 2_566
C24 C28 C29 C9 2.6(15) 2_566 2_566
C28 C29 C30 C25 138.7(12) . 2_566
C9 C29 C30 C25 1.4(17) 2_566 2_566
C28 C29 C30 C18 -0.8(19) . .
C9 C29 C30 C18 -138.1(15) 2_566 .
C17 C18 C30 C29 4(3) . .
C19 C18 C30 C29 141.9(13) . .
C17 C18 C30 C25 -138(2) . 2_566
C19 C18 C30 C25 -0.2(19) . 2_566
C36 C31 C32 C33 -0.6(5) . .
C36 C31 C32 C72 175.7(3) . 2_566
C31 C32 C33 C34 -0.5(5) . .
C72 C32 C33 C34 -176.7(3) 2_566 .
C32 C33 C34 C35 1.1(5) . .
C33 C34 C35 C36 -0.5(6) . .
C32 C31 C36 C35 1.2(5) . .
C32 C31 C36 C37 -175.1(3) . .
C34 C35 C36 C31 -0.6(5) . .
C34 C35 C36 C37 175.8(3) . .
C31 C36 C37 C38 118.1(4) . .
C35 C36 C37 C38 -58.1(5) . .
C31 C36 C37 C46 -64.2(5) . .
C35 C36 C37 C46 119.6(4) . .
C46 C37 C38 C39 1.3(6) . .
C36 C37 C38 C39 179.1(4) . .
C37 C38 C39 C40 0.6(6) . .
C38 C39 C40 C41 -2.0(6) . .
C38 C39 C40 C47 179.3(4) . .
C39 C40 C41 C42 -174.8(4) . .
C47 C40 C41 C42 3.9(6) . .
C39 C40 C41 C46 1.5(5) . .
C47 C40 C41 C46 -179.8(3) . .
C40 C41 C42 C43 177.0(4) . .
C46 C41 C42 C43 0.7(6) . .
C41 C42 C43 C44 -0.8(6) . .
C42 C43 C44 C45 0.8(6) . .
C43 C44 C45 C46 -0.5(6) . .
C44 C45 C46 C37 -176.7(4) . .
C44 C45 C46 C41 0.4(6) . .
C38 C37 C46 C45 175.4(4) . .
C36 C37 C46 C45 -2.3(6) . .
C38 C37 C46 C41 -1.7(5) . .
C36 C37 C46 C41 -179.4(3) . .
C42 C41 C46 C45 -0.4(5) . .
C40 C41 C46 C45 -176.9(3) . .
C42 C41 C46 C37 176.8(3) . .
C40 C41 C46 C37 0.3(5) . .
C39 C40 C47 C52 -123.7(4) . .
C41 C40 C47 C52 57.6(5) . .
C39 C40 C47 C48 53.3(5) . .
C41 C40 C47 C48 -125.4(4) . .
C52 C47 C48 C49 -2.1(5) . .
C40 C47 C48 C49 -179.2(3) . .
C47 C48 C49 C50 0.8(6) . .
C48 C49 C50 C51 1.4(6) . .
C49 C50 C51 C52 -2.0(5) . .
C49 C50 C51 C53 175.1(3) . .
C48 C47 C52 C51 1.4(5) . .
C40 C47 C52 C51 178.4(3) . .
C50 C51 C52 C47 0.6(5) . .
C53 C51 C52 C47 -176.5(3) . .
C50 C51 C53 C54 -47.3(5) . .
C52 C51 C53 C54 129.7(4) . .
C50 C51 C53 C62 133.0(4) . .
C52 C51 C53 C62 -50.0(5) . .
C62 C53 C54 C55 1.5(5) . .
C51 C53 C54 C55 -178.2(3) . .
C53 C54 C55 C56 2.1(5) . .
C54 C55 C56 C57 -3.9(5) . .
C54 C55 C56 C63 176.4(3) . .
C55 C56 C57 C58 -175.3(3) . .
C63 C56 C57 C58 4.3(5) . .
C55 C56 C57 C62 2.1(5) . .
C63 C56 C57 C62 -178.2(3) . .
C62 C57 C58 C59 0.4(5) . .
C56 C57 C58 C59 177.9(3) . .
C57 C58 C59 C60 -1.0(5) . .
C58 C59 C60 C61 0.0(5) . .
C59 C60 C61 C62 1.5(5) . .
C54 C53 C62 C61 174.6(3) . .
C51 C53 C62 C61 -5.7(5) . .
C54 C53 C62 C57 -3.2(5) . .
C51 C53 C62 C57 176.5(3) . .
C60 C61 C62 C53 -179.8(3) . .
C60 C61 C62 C57 -2.0(5) . .
C58 C57 C62 C53 178.9(3) . .
C56 C57 C62 C53 1.4(5) . .
C58 C57 C62 C61 1.1(5) . .
C56 C57 C62 C61 -176.5(3) . .
C55 C56 C63 C64 68.3(5) . .
C57 C56 C63 C64 -111.3(4) . .
C55 C56 C63 C68 -110.6(4) . .
C57 C56 C63 C68 69.8(4) . .
C68 C63 C64 C65 -2.3(5) . .
C56 C63 C64 C65 178.9(3) . .
C63 C64 C65 C66 1.9(5) . .
C64 C65 C66 C67 0.2(5) . .
C65 C66 C67 C68 -1.7(5) . .
C65 C66 C67 C69 -177.3(3) . .
C66 C67 C68 C63 1.3(5) . .
C69 C67 C68 C63 177.0(3) . .
C64 C63 C68 C67 0.7(5) . .
C56 C63 C68 C67 179.6(3) . .
C68 C67 C69 C70 -47.1(5) . .
C66 C67 C69 C70 128.4(4) . .
C68 C67 C69 C78 134.6(4) . .
C66 C67 C69 C78 -49.8(5) . .
C78 C69 C70 C71 3.6(5) . .
C67 C69 C70 C71 -174.7(3) . .
C69 C70 C71 C72 0.0(5) . .
C70 C71 C72 C73 -2.7(5) . .
C70 C71 C72 C32 177.6(3) . 2_566
C74 C73 C72 C71 -174.7(3) . .
C78 C73 C72 C71 1.9(5) . .
C74 C73 C72 C32 4.9(5) . 2_566
C78 C73 C72 C32 -178.5(3) . 2_566
C78 C73 C74 C75 -1.7(5) . .
C72 C73 C74 C75 174.9(3) . .
C73 C74 C75 C76 0.1(6) . .
C74 C75 C76 C77 1.0(6) . .
C75 C76 C77 C78 -0.5(6) . .
C76 C77 C78 C73 -1.1(6) . .
C76 C77 C78 C69 -177.2(4) . .
C74 C73 C78 C77 2.1(5) . .
C72 C73 C78 C77 -174.6(3) . .
C74 C73 C78 C69 178.3(3) . .
C72 C73 C78 C69 1.6(5) . .
C70 C69 C78 C77 171.8(3) . .
C67 C69 C78 C77 -9.9(5) . .
C70 C69 C78 C73 -4.3(5) . .
C67 C69 C78 C73 174.0(3) . .
C84 C79 C80 C81 -0.3(8) . .
Cl1 C79 C80 C81 179.9(4) . .
C79 C80 C81 C82 -1.1(8) . .
C80 C81 C82 C83 1.2(8) . .
C81 C82 C83 C84 0.1(8) . .
C82 C83 C84 C79 -1.4(8) . .
C80 C79 C84 C83 1.6(8) . .
Cl1 C79 C84 C83 -178.6(4) . .
C90 C85 C86 C87 0.0 . .
Cl2 C85 C86 C87 -178.1(7) . .
C85 C86 C87 C88 0.0 . .
C86 C87 C88 C89 0.0 . .
C87 C88 C89 C90 0.0 . .
C88 C89 C90 C85 0.0 . .
C86 C85 C90 C89 0.0 . .
Cl2 C85 C90 C89 178.1(7) . .
C96 C91 C92 C93 0.0 . .
Cl3 C91 C92 C93 179.7(5) . .
C91 C92 C93 C94 0.0 . .
C92 C93 C94 C95 0.0 . .
C93 C94 C95 C96 0.0 . .
C94 C95 C96 C91 0.0 . .
C92 C91 C96 C95 0.0 . .
Cl3 C91 C96 C95 -179.7(5) . .
C105 C97 C98 C108 15(5) . .
C101 C97 C98 C108 145(3) . .
C105 C97 C98 C99 -135(4) . .
C101 C97 C98 C99 -6(4) . .
C108 C98 C99 C111 -1(6) . .
C97 C98 C99 C111 147(5) . .
C108 C98 C99 C100 -141(4) . .
C97 C98 C99 C100 7(4) . .
C111 C99 C100 C114 -2(7) . .
C98 C99 C100 C114 139(4) . .
C111 C99 C100 C101 -146(4) . .
C98 C99 C100 C101 -5(4) . .
C114 C100 C101 C102 -6(5) . .
C99 C100 C101 C102 143(3) . .
C114 C100 C101 C97 -148(3) . .
C99 C100 C101 C97 2(4) . .
C105 C97 C101 C100 134(4) . .
C98 C97 C101 C100 3(4) . .
C105 C97 C101 C102 -8(4) . .
C98 C97 C101 C102 -139(2) . .
C100 C101 C102 C116 2(3) . .
C97 C101 C102 C116 140(2) . .
C100 C101 C102 C103 -135(3) . .
C97 C101 C102 C103 3(2) . .
C116 C102 C103 C104 -144(4) . .
C101 C102 C103 C104 -2(5) . .
C116 C102 C103 C118 0(3) . .
C101 C102 C103 C118 142.2(18) . .
C118 C103 C104 C121 -16(7) . .
C102 C103 C104 C121 124(4) . .
C118 C103 C104 C105 -135(3) . .
C102 C103 C104 C105 4(6) . .
C98 C97 C105 C106 -17(6) . .
C101 C97 C105 C106 -143(4) . .
C98 C97 C105 C104 136(4) . .
C101 C97 C105 C104 11(6) . .
C103 C104 C105 C106 143(4) . .
C121 C104 C105 C106 -2(4) . .
C103 C104 C105 C97 -10(6) . .
C121 C104 C105 C97 -155(5) . .
C97 C105 C106 C107 18(10) . .
C104 C105 C106 C107 -137(7) . .
C97 C105 C106 C122 158(4) . .
C104 C105 C106 C122 3(5) . .
C105 C106 C107 C108 -11(9) . .
C122 C106 C107 C108 -149(3) . .
C105 C106 C107 C125 121(7) . .
C122 C106 C107 C125 -18(6) . .
C97 C98 C108 C107 -9(6) . .
C99 C98 C108 C107 136(4) . .
C97 C98 C108 C109 -145(3) . .
C99 C98 C108 C109 0(5) . .
C106 C107 C108 C98 5(6) . .
C125 C107 C108 C98 -134(4) . .
C106 C107 C108 C109 144(4) . .
C125 C107 C108 C109 4(4) . .
C98 C108 C109 C110 3(4) . .
C107 C108 C109 C110 -141(3) . .
C98 C108 C109 C126 140(4) . .
C107 C108 C109 C126 -5(4) . .
C108 C109 C110 C111 -5(4) . .
C126 C109 C110 C111 -140(4) . .
C108 C109 C110 C119 135(3) . 2_566
C126 C109 C110 C119 0(3) . 2_566
C100 C99 C111 C110 136(4) . .
C98 C99 C111 C110 0(7) . .
C100 C99 C111 C112 2(6) . .
C98 C99 C111 C112 -134(3) . .
C109 C110 C111 C99 3(7) . .
C119 C110 C111 C99 -143(5) 2_566 .
C109 C110 C111 C112 139(2) . .
C119 C110 C111 C112 -7(4) 2_566 .
C99 C111 C112 C113 -5(6) . .
C110 C111 C112 C113 -142(3) . .
C99 C111 C112 C120 144(4) . 2_566
C110 C111 C112 C120 7(4) . 2_566
C120 C112 C113 C114 -128(4) 2_566 .
C111 C112 C113 C114 9(6) . .
C120 C112 C113 C123 8(4) 2_566 2_566
C111 C112 C113 C123 145(3) . 2_566
C101 C100 C114 C115 9(5) . .
C99 C100 C114 C115 -133(4) . .
C101 C100 C114 C113 146(3) . .
C99 C100 C114 C113 4(6) . .
C112 C113 C114 C115 133(4) . .
C123 C113 C114 C115 -5(3) 2_566 .
C112 C113 C114 C100 -8(6) . .
C123 C113 C114 C100 -146(3) 2_566 .
C100 C114 C115 C116 -7(5) . .
C113 C114 C115 C116 -141(3) . .
C100 C114 C115 C124 140(3) . 2_566
C113 C114 C115 C124 6(3) . 2_566
C114 C115 C116 C102 2(4) . .
C124 C115 C116 C102 -142(2) 2_566 .
C114 C115 C116 C117 137(3) . .
C124 C115 C116 C117 -7(4) 2_566 .
C101 C102 C116 C115 0(3) . .
C103 C102 C116 C115 141(3) . .
C101 C102 C116 C117 -139.1(18) . .
C103 C102 C116 C117 1(2) . .
C115 C116 C117 C126 4(4) . 2_566
C102 C116 C117 C126 141(3) . 2_566
C115 C116 C117 C118 -139(3) . .
C102 C116 C117 C118 -2(3) . .
C126 C117 C118 C119 4(4) 2_566 .
C116 C117 C118 C119 144(3) . .
C126 C117 C118 C103 -138(3) 2_566 .
C116 C117 C118 C103 2(3) . .
C104 C103 C118 C119 2(5) . .
C102 C103 C118 C119 -147(2) . .
C104 C103 C118 C117 148(3) . .
C102 C103 C118 C117 -2(3) . .
C117 C118 C119 C120 -138(3) . .
C103 C118 C119 C120 4(4) . .
C117 C118 C119 C110 1(4) . 2_566
C103 C118 C119 C110 143(2) . 2_566
C118 C119 C120 C121 1(4) . .
C110 C119 C120 C121 -139(2) 2_566 .
C118 C119 C120 C112 140(3) . 2_566
C110 C119 C120 C112 -1(3) 2_566 2_566
C103 C104 C121 C122 -127(5) . .
C105 C104 C121 C122 1(4) . .
C103 C104 C121 C120 19(6) . .
C105 C104 C121 C120 148(3) . .
C119 C120 C121 C122 141(3) . .
C112 C120 C121 C122 4(4) 2_566 .
C119 C120 C121 C104 -9(4) . .
C112 C120 C121 C104 -146(2) 2_566 .
C104 C121 C122 C123 139(3) . .
C120 C121 C122 C123 -4(4) . .
C104 C121 C122 C106 0(5) . .
C120 C121 C122 C106 -143(3) . .
C105 C106 C122 C121 -1(4) . .
C107 C106 C122 C121 150(4) . .
C105 C106 C122 C123 -139(3) . .
C107 C106 C122 C123 13(5) . .
C121 C122 C123 C113 -2(3) . 2_566
C106 C122 C123 C113 128(3) . 2_566
C121 C122 C123 C124 -137(3) . .
C106 C122 C123 C124 -7(3) . .
C122 C123 C124 C125 3(4) . .
C113 C123 C124 C125 -139(3) 2_566 .
C122 C123 C124 C115 142(2) . 2_566
C113 C123 C124 C115 0(3) 2_566 2_566
C115 C124 C125 C107 -140(3) 2_566 .
C123 C124 C125 C107 -7(5) . .
C115 C124 C125 C126 0(6) 2_566 .
C123 C124 C125 C126 134(4) . .
C106 C107 C125 C124 16(6) . .
C108 C107 C125 C124 145(3) . .
C106 C107 C125 C126 -131(5) . .
C108 C107 C125 C126 -2(5) . .
C110 C109 C126 C117 -5(5) . 2_566
C108 C109 C126 C117 -146(4) . 2_566
C110 C109 C126 C125 145(3) . .
C108 C109 C126 C125 3(4) . .
C124 C125 C126 C117 3(8) . 2_566
C107 C125 C126 C117 149(4) . 2_566
C124 C125 C126 C109 -147(4) . .
C107 C125 C126 C109 -1(5) . .
