#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:51:57 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180279 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/65/7116582.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_7116582
loop_
_publ_author_name
'Takashi Kubo'
'Shogo Miyazaki'
'Takuya Kodama'
'Mitsuya Aoba'
'Yasukazu Hirao'
'Hiroyuki Kurata'
_publ_section_title
;
 A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension
 and the formation of a two-dimensional honeycomb molecular assembly
;
_journal_name_full               Chem.Commun.
_journal_page_first              3801
_journal_paper_doi               10.1039/C4cc09883H
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C86 H36 Cl12 F6 N6 O6'
_chemical_formula_weight         1788.61
_chemical_name_systematic        MeOFAP-F4TCNQ
_chemical_properties_physical    Moisture-sensitive
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-04 deposited with the CCDC.
2015-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.5521(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.189(2)
_cell_length_b                   25.4108(15)
_cell_length_c                   19.2600(10)
_cell_measurement_reflns_used    27171
_cell_measurement_temperature    220
_cell_measurement_theta_max      55.05
_cell_measurement_theta_min      5.96
_cell_volume                     17353.4(17)
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1717
_diffrn_reflns_av_sigmaI/netI    0.2063
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            70997
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    0.450
_exptl_absorpt_correction_T_max  0.9563
_exptl_absorpt_correction_T_min  0.9153
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             7200
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: 1,2-dichloroethane'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.509
_refine_diff_density_min         -0.429
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1114
_refine_ls_number_reflns         19555
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_all          0.2495
_refine_ls_R_factor_gt           0.1030
_refine_ls_shift/su_max          0.395
_refine_ls_shift/su_mean         0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1576P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2674
_refine_ls_wR_factor_ref         0.3224
_reflns_number_gt                5776
_reflns_number_total             19555
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc09883h2.cif
_cod_data_source_block           xsm2z26
_cod_original_cell_volume        17353.3(17)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7116582
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'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
C1 C 0.34728(6) 0.50389(10) 0.14315(12) 0.0489(7) Uani 1 1 d .
C2 C 0.31831(6) 0.50109(10) 0.19657(12) 0.0506(7) Uani 1 1 d .
C3 C 0.31199(6) 0.44263(10) 0.20339(11) 0.0486(7) Uani 1 1 d .
C4 C 0.29225(6) 0.41219(10) 0.23939(12) 0.0554(8) Uani 1 1 d .
H1 H 0.2793 0.4290 0.2682 0.067 Uiso 1 1 calc R
C5 C 0.29098(7) 0.35706(10) 0.23408(12) 0.0575(8) Uani 1 1 d .
H2 H 0.2771 0.3376 0.2587 0.069 Uiso 1 1 calc R
C6 C 0.31034(7) 0.33099(10) 0.19228(12) 0.0556(8) Uani 1 1 d .
C7 C 0.31611(7) 0.27680(10) 0.16960(12) 0.0564(8) Uani 1 1 d .
C8 C 0.30240(7) 0.22814(11) 0.18468(14) 0.0649(9) Uani 1 1 d .
H3 H 0.2870 0.2259 0.2154 0.078 Uiso 1 1 calc R
C9 C 0.31194(7) 0.18346(10) 0.15335(14) 0.0634(9) Uani 1 1 d .
C10 C 0.33529(7) 0.18587(10) 0.10864(14) 0.0642(9) Uani 1 1 d .
C11 C 0.34972(7) 0.23308(11) 0.09499(13) 0.0644(9) Uani 1 1 d .
H4 H 0.3662 0.2343 0.0663 0.077 Uiso 1 1 calc R
C12 C 0.33987(7) 0.27893(10) 0.12378(13) 0.0563(8) Uani 1 1 d .
C13 C 0.34944(6) 0.33501(10) 0.11537(12) 0.0516(7) Uani 1 1 d .
C14 C 0.36974(6) 0.36371(10) 0.08042(12) 0.0552(8) Uani 1 1 d .
H5 H 0.3825 0.3465 0.0517 0.066 Uiso 1 1 calc R
C15 C 0.37171(6) 0.41935(10) 0.08711(12) 0.0526(7) Uani 1 1 d .
H6 H 0.3864 0.4384 0.0637 0.063 Uiso 1 1 calc R
C16 C 0.35251(6) 0.44608(10) 0.12728(11) 0.0483(7) Uani 1 1 d .
C17 C 0.33167(6) 0.41658(10) 0.16271(11) 0.0495(7) Uani 1 1 d .
C18 C 0.33061(6) 0.36278(10) 0.15693(12) 0.0539(8) Uani 1 1 d .
C19 C 0.34181(6) 0.52814(10) 0.26641(12) 0.0492(7) Uani 1 1 d .
C20 C 0.33596(6) 0.54009(10) 0.33248(11) 0.0510(7) Uani 1 1 d .
H7 H 0.3127 0.5320 0.3398 0.061 Uiso 1 1 calc R
C21 C 0.36469(6) 0.56433(10) 0.38909(12) 0.0522(7) Uani 1 1 d .
H8 H 0.3601 0.5720 0.4334 0.063 Uiso 1 1 calc R
C22 C 0.39930(6) 0.57700(9) 0.38068(11) 0.0475(7) Uani 1 1 d .
C23 C 0.43591(6) 0.60017(9) 0.42198(11) 0.0478(7) Uani 1 1 d .
C24 C 0.44888(7) 0.61877(9) 0.49319(12) 0.0507(7) Uani 1 1 d .
H9 H 0.4330 0.6188 0.5229 0.061 Uiso 1 1 calc R
C25 C 0.48544(7) 0.63716(9) 0.51958(12) 0.0490(7) Uani 1 1 d .
C26 C 0.50863(6) 0.63976(10) 0.47331(12) 0.0516(8) Uani 1 1 d .
C27 C 0.49585(6) 0.62275(10) 0.40278(12) 0.0507(7) Uani 1 1 d .
H10 H 0.5113 0.6248 0.3722 0.061 Uiso 1 1 calc R
C28 C 0.45979(6) 0.60240(9) 0.37734(12) 0.0485(7) Uani 1 1 d .
C29 C 0.43910(6) 0.57926(9) 0.30561(11) 0.0457(7) Uani 1 1 d .
C30 C 0.44490(6) 0.56941(10) 0.23874(12) 0.0519(7) Uani 1 1 d .
H11 H 0.4678 0.5793 0.2313 0.062 Uiso 1 1 calc R
C31 C 0.41674(6) 0.54472(10) 0.18196(12) 0.0538(8) Uani 1 1 d .
H12 H 0.4214 0.5377 0.1375 0.065 Uiso 1 1 calc R
C32 C 0.38238(6) 0.53067(9) 0.19079(11) 0.0429(7) Uani 1 1 d .
C33 C 0.37632(6) 0.54184(9) 0.25730(11) 0.0460(7) Uani 1 1 d .
C34 C 0.40452(6) 0.56491(10) 0.31276(11) 0.0480(7) Uani 1 1 d .
C35 C 0.28405(6) 0.53200(10) 0.15247(12) 0.0493(7) Uani 1 1 d .
C36 C 0.24962(6) 0.54420(10) 0.16238(12) 0.0527(7) Uani 1 1 d .
H13 H 0.2441 0.5321 0.2041 0.063 Uiso 1 1 calc R
C37 C 0.22244(7) 0.57504(11) 0.10987(12) 0.0587(8) Uani 1 1 d .
H14 H 0.1995 0.5837 0.1180 0.070 Uiso 1 1 calc R
C38 C 0.22952(6) 0.59224(10) 0.04749(12) 0.0545(8) Uani 1 1 d .
C39 C 0.21086(7) 0.62261(11) -0.01857(13) 0.0593(8) Uani 1 1 d .
C40 C 0.17544(7) 0.64697(10) -0.04118(13) 0.0599(8) Uani 1 1 d .
H15 H 0.1596 0.6462 -0.0114 0.072 Uiso 1 1 calc R
C41 C 0.16419(7) 0.67203(11) -0.10739(14) 0.0642(9) Uani 1 1 d .
C42 C 0.18773(7) 0.67283(11) -0.15230(14) 0.0650(9) Uani 1 1 d .
C43 C 0.22225(7) 0.64880(10) -0.13137(13) 0.0584(8) Uani 1 1 d .
H16 H 0.2376 0.6492 -0.1622 0.070 Uiso 1 1 calc R
C44 C 0.23435(7) 0.62393(10) -0.06467(13) 0.0568(8) Uani 1 1 d .
C45 C 0.26952(6) 0.59500(10) -0.02733(12) 0.0520(7) Uani 1 1 d .
C46 C 0.30375(6) 0.58157(10) -0.03918(13) 0.0551(8) Uani 1 1 d .
H17 H 0.3087 0.5926 -0.0820 0.066 Uiso 1 1 calc R
C47 C 0.33058(6) 0.55173(10) 0.01262(11) 0.0509(7) Uani 1 1 d .
H18 H 0.3532 0.5425 0.0033 0.061 Uiso 1 1 calc R
C48 C 0.32490(6) 0.53525(10) 0.07746(12) 0.0501(7) Uani 1 1 d .
C49 C 0.29096(6) 0.54938(10) 0.08879(12) 0.0517(7) Uani 1 1 d .
C50 C 0.26410(6) 0.57873(11) 0.03844(12) 0.0547(8) Uani 1 1 d .
O1 O 0.29880(5) 0.13468(7) 0.16148(10) 0.0813(6) Uani 1 1 d .
C51 C 0.27566(9) 0.13050(13) 0.20823(17) 0.1050(12) Uani 1 1 d .
H19 H 0.2537 0.1528 0.1901 0.158 Uiso 1 1 calc R
H20 H 0.2899 0.1416 0.2570 0.158 Uiso 1 1 calc R
H21 H 0.2677 0.0943 0.2095 0.158 Uiso 1 1 calc R
O2 O 0.34172(5) 0.13937(8) 0.08013(10) 0.0823(7) Uani 1 1 d .
C52 C 0.36704(9) 0.13878(13) 0.03676(18) 0.1079(12) Uani 1 1 d .
H22 H 0.3913 0.1528 0.0649 0.162 Uiso 1 1 calc R
H23 H 0.3567 0.1602 -0.0064 0.162 Uiso 1 1 calc R
H24 H 0.3702 0.1029 0.0224 0.162 Uiso 1 1 calc R
O3 O 0.50181(4) 0.65510(7) 0.58901(8) 0.0616(5) Uani 1 1 d .
C53 C 0.47879(8) 0.65683(14) 0.63614(13) 0.0882(11) Uani 1 1 d .
H25 H 0.4701 0.6216 0.6421 0.132 Uiso 1 1 calc R
H26 H 0.4572 0.6795 0.6152 0.132 Uiso 1 1 calc R
H27 H 0.4934 0.6706 0.6832 0.132 Uiso 1 1 calc R
O4 O 0.54433(4) 0.65871(7) 0.50633(8) 0.0645(6) Uani 1 1 d .
C54 C 0.56906(7) 0.66282(12) 0.46350(14) 0.0752(10) Uani 1 1 d .
H28 H 0.5585 0.6870 0.4235 0.113 Uiso 1 1 calc R
H29 H 0.5723 0.6284 0.4443 0.113 Uiso 1 1 calc R
H30 H 0.5933 0.6759 0.4933 0.113 Uiso 1 1 calc R
O5 O 0.13099(5) 0.69864(8) -0.13398(10) 0.0843(7) Uani 1 1 d .
C55 C 0.10583(7) 0.69938(14) -0.09185(16) 0.0955(12) Uani 1 1 d .
H31 H 0.1172 0.7183 -0.0469 0.143 Uiso 1 1 calc R
H32 H 0.1004 0.6636 -0.0808 0.143 Uiso 1 1 calc R
H33 H 0.0826 0.7167 -0.1190 0.143 Uiso 1 1 calc R
O6 O 0.17334(5) 0.69904(8) -0.21706(10) 0.0879(7) Uani 1 1 d .
C56 C 0.19402(8) 0.69588(15) -0.26941(14) 0.1123(13) Uani 1 1 d .
H34 H 0.1981 0.6592 -0.2790 0.168 Uiso 1 1 calc R
H35 H 0.2182 0.7134 -0.2501 0.168 Uiso 1 1 calc R
H36 H 0.1797 0.7129 -0.3143 0.168 Uiso 1 1 calc R
F1 F 0.21053(5) 0.29305(7) 0.08235(8) 0.0920(6) Uani 1 1 d .
C57 C 0.22975(8) 0.27213(12) 0.04105(14) 0.0710(9) Uani 1 1 d .
C58 C 0.25031(7) 0.30723(11) 0.00971(13) 0.0654(9) Uani 1 1 d .
C59 C 0.27065(7) 0.28003(12) -0.03227(14) 0.0705(9) Uani 1 1 d .
F2 F 0.29169(5) 0.30875(7) -0.06426(9) 0.0921(6) Uani 1 1 d .
N1 N 0.21436(8) 0.41226(12) 0.09139(15) 0.1135(11) Uani 1 1 d .
C60 C 0.22985(9) 0.38763(13) 0.05917(16) 0.0876(12) Uani 1 1 d .
C61 C 0.25120(8) 0.36090(12) 0.01671(15) 0.0723(10) Uani 1 1 d .
C62 C 0.26946(9) 0.39604(12) -0.01710(16) 0.0821(11) Uani 1 1 d .
N2 N 0.28379(8) 0.42706(11) -0.04306(15) 0.1049(11) Uani 1 1 d .
F3 F 0.43229(4) 0.47654(6) 0.51734(7) 0.0694(5) Uani 1 1 d .
C63 C 0.46589(6) 0.48740(10) 0.50769(12) 0.0528(7) Uani 1 1 d .
C64 C 0.47078(6) 0.47650(10) 0.43959(11) 0.0492(7) Uani 1 1 d .
C65 C 0.50754(7) 0.49136(10) 0.43605(12) 0.0573(8) Uani 1 1 d .
F4 F 0.51547(4) 0.48289(6) 0.37274(7) 0.0734(5) Uani 1 1 d .
N3 N 0.37894(6) 0.42064(10) 0.38624(12) 0.0737(8) Uani 1 1 d .
C66 C 0.40796(7) 0.43585(11) 0.38781(12) 0.0589(8) Uani 1 1 d .
C67 C 0.44419(7) 0.45287(10) 0.38329(12) 0.0531(7) Uani 1 1 d .
C68 C 0.44893(7) 0.43972(10) 0.31314(13) 0.0590(8) Uani 1 1 d .
N4 N 0.45056(7) 0.42760(10) 0.25688(12) 0.0791(8) Uani 1 1 d .
F5 F 0.26880(5) 0.22535(8) 0.37864(10) 0.1119(7) Uani 1 1 d .
C69 C 0.25891(9) 0.23692(13) 0.43917(17) 0.0891(11) Uani 1 1 d .
C70 C 0.22344(8) 0.22087(12) 0.44235(16) 0.0796(10) Uani 1 1 d .
C71 C 0.21676(8) 0.23569(13) 0.50834(18) 0.0877(11) Uani 1 1 d .
F6 F 0.18352(5) 0.22070(8) 0.51912(10) 0.1080(7) Uani 1 1 d .
N5 N 0.20737(9) 0.16400(15) 0.26482(17) 0.1382(14) Uani 1 1 d .
C72 C 0.20432(10) 0.17678(14) 0.3217(2) 0.1038(14) Uani 1 1 d .
C73 C 0.19803(9) 0.19294(13) 0.38830(17) 0.0862(11) Uani 1 1 d .
C74 C 0.16140(9) 0.17710(14) 0.39163(19) 0.0985(13) Uani 1 1 d .
N6 N 0.13251(8) 0.16298(12) 0.38846(16) 0.1142(12) Uani 1 1 d .
Cl1 Cl 0.12106(4) 0.22269(6) 0.09815(7) 0.1718(6) Uani 1 1 d .
C75 C 0.08291(14) 0.23425(18) 0.1330(3) 0.158(2) Uani 1 1 d .
C76 C 0.09483(13) 0.21748(19) 0.2092(2) 0.1452(19) Uani 1 1 d .
Cl2 Cl 0.05112(4) 0.22733(5) 0.23841(7) 0.1659(6) Uani 1 1 d .
Cl3 Cl 0.37910(14) 0.2389(2) 0.3862(2) 0.314(3) Uani 0.50 1 d P
Cl4 Cl 0.36301(6) 0.26691(11) 0.37364(10) 0.1246(9) Uani 0.50 1 d P
C77 C 0.40387(16) 0.2931(2) 0.3205(3) 0.180(2) Uani 1 1 d .
C78 C 0.40136(19) 0.2433(3) 0.3069(4) 0.261(4) Uani 1 1 d .
Cl5 Cl 0.43955(4) 0.26319(7) 0.25242(7) 0.1870(7) Uani 1 1 d .
Cl6 Cl 0.10340(10) 0.38622(14) 0.13187(19) 0.428(2) Uani 1 1 d .
C79 C 0.0574(4) 0.4049(8) 0.2043(5) 1.015(14) Uani 1 1 d .
Cl7 Cl 0.19066(10) 0.48143(14) 0.27039(18) 0.2167(15) Uani 0.50 1 d P
C80 C 0.1820(3) 0.4863(5) 0.3398(4) 0.223(4) Uani 0.50 1 d P
C81 C 0.1961(3) 0.5088(3) 0.3883(4) 0.132(4) Uani 0.50 1 d P
Cl8 Cl 0.14837(9) 0.49653(10) 0.45154(16) 0.1773(11) Uani 0.50 1 d P
C82 C 0.3788(3) 0.0804(5) 0.3013(8) 0.694(8) Uani 1 1 d .
C83 C 0.4228(3) 0.1054(4) 0.2499(5) 0.372(6) Uani 1 1 d .
Cl10 Cl 0.4449(3) 0.0813(4) 0.2303(8) 1.584(16) Uani 1 1 d .
Cl11 Cl 0.45284(10) 0.21602(16) 0.03947(19) 0.2294(17) Uani 0.50 1 d P
Cl12 Cl 0.46940(19) 0.1995(2) 0.1116(3) 0.399(4) Uani 0.50 1 d P
C84 C 0.5025(2) 0.2142(3) 0.0513(5) 0.276(5) Uani 1 1 d .
Cl13 Cl 0.51353(8) 0.20759(14) -0.06671(19) 0.1887(14) Uani 0.50 1 d P
C85 C 0.5000(4) 0.1783(5) 0.0254(6) 0.515(9) Uani 1 1 d .
Cl14 Cl 0.12722(15) 0.4964(3) 0.3608(4) 0.408(4) Uani 0.50 1 d P
Cl15 Cl 0.52731(16) 0.1884(3) -0.0166(3) 0.385(4) Uani 0.50 1 d P
C86 C 0.1759(3) 0.5037(11) 0.3735(6) 0.436(15) Uani 0.50 1 d P
C87 C 0.0928(3) 0.3883(3) 0.2056(4) 0.392(5) Uani 1 1 d .
Cl16 Cl 0.05347(18) 0.4012(2) 0.2816(3) 0.705(5) Uani 1 1 d .
C88 C 0.1675(3) 0.4943(4) 0.3954(7) 0.241(5) Uani 0.50 1 d P
Cl18 Cl 0.20817(10) 0.48536(11) 0.30483(19) 0.1952(13) Uani 0.50 1 d P
Cl19 Cl 0.38303(7) 0.10489(17) 0.40221(19) 0.512(2) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
C32 C1 C48 115.2(2) . .
C32 C1 C16 114.59(18) . .
C48 C1 C16 114.24(18) . .
C32 C1 C2 103.90(17) . .
C48 C1 C2 103.80(17) . .
C16 C1 C2 102.91(18) . .
C3 C2 C35 115.41(19) . .
C3 C2 C19 115.27(18) . .
C35 C2 C19 114.8(2) . .
C3 C2 C1 103.68(19) . .
C35 C2 C1 102.57(17) . .
C19 C2 C1 102.43(17) . .
C4 C3 C17 117.6(2) . .
C4 C3 C2 135.1(2) . .
C17 C3 C2 107.2(2) . .
C3 C4 C5 122.1(2) . .
C3 C4 H1 119.0 . .
C5 C4 H1 119.0 . .
C6 C5 C4 120.2(2) . .
C6 C5 H2 119.9 . .
C4 C5 H2 119.9 . .
C5 C6 C18 116.7(2) . .
C5 C6 C7 139.2(2) . .
C18 C6 C7 104.1(2) . .
C8 C7 C12 119.6(2) . .
C8 C7 C6 131.8(3) . .
C12 C7 C6 108.6(2) . .
C9 C8 C7 118.5(3) . .
C9 C8 H3 120.7 . .
C7 C8 H3 120.7 . .
O1 C9 C8 123.4(3) . .
O1 C9 C10 115.0(2) . .
C8 C9 C10 121.5(2) . .
O2 C10 C11 123.9(3) . .
O2 C10 C9 115.5(2) . .
C11 C10 C9 120.6(3) . .
C10 C11 C12 119.5(3) . .
C10 C11 H4 120.3 . .
C12 C11 H4 120.3 . .
C11 C12 C7 120.2(2) . .
C11 C12 C13 131.3(2) . .
C7 C12 C13 108.5(2) . .
C14 C13 C18 117.3(2) . .
C14 C13 C12 138.7(2) . .
C18 C13 C12 104.0(2) . .
C13 C14 C15 120.6(2) . .
C13 C14 H5 119.7 . .
C15 C14 H5 119.7 . .
C16 C15 C14 121.3(2) . .
C16 C15 H6 119.3 . .
C14 C15 H6 119.3 . .
C15 C16 C17 117.9(2) . .
C15 C16 C1 134.9(2) . .
C17 C16 C1 107.2(2) . .
C18 C17 C3 120.9(2) . .
C18 C17 C16 120.2(2) . .
C3 C17 C16 119.0(2) . .
C17 C18 C13 122.7(2) . .
C17 C18 C6 122.5(2) . .
C13 C18 C6 114.7(2) . .
C20 C19 C33 117.8(2) . .
C20 C19 C2 134.4(2) . .
C33 C19 C2 107.8(2) . .
C19 C20 C21 120.7(2) . .
C19 C20 H7 119.7 . .
C21 C20 H7 119.7 . .
C22 C21 C20 121.6(2) . .
C22 C21 H8 119.2 . .
C20 C21 H8 119.2 . .
C21 C22 C34 116.77(19) . .
C21 C22 C23 140.3(2) . .
C34 C22 C23 102.9(2) . .
C24 C23 C28 119.5(2) . .
C24 C23 C22 130.9(2) . .
C28 C23 C22 109.59(19) . .
C25 C24 C23 119.2(2) . .
C25 C24 H9 120.4 . .
C23 C24 H9 120.4 . .
O3 C25 C24 124.8(2) . .
O3 C25 C26 115.0(2) . .
C24 C25 C26 120.2(2) . .
C27 C26 O4 124.7(2) . .
C27 C26 C25 121.0(2) . .
O4 C26 C25 114.3(2) . .
C26 C27 C28 118.7(2) . .
C26 C27 H10 120.6 . .
C28 C27 H10 120.6 . .
C27 C28 C23 121.4(2) . .
C27 C28 C29 130.8(2) . .
C23 C28 C29 107.82(19) . .
C34 C29 C30 116.96(19) . .
C34 C29 C28 104.4(2) . .
C30 C29 C28 138.7(2) . .
C29 C30 C31 120.7(2) . .
C29 C30 H11 119.6 . .
C31 C30 H11 119.6 . .
C32 C31 C30 121.0(2) . .
C32 C31 H12 119.5 . .
C30 C31 H12 119.5 . .
C31 C32 C33 118.08(19) . .
C31 C32 C1 134.5(2) . .
C33 C32 C1 107.4(2) . .
C34 C33 C19 121.5(2) . .
C34 C33 C32 120.1(2) . .
C19 C33 C32 118.40(19) . .
C33 C34 C29 123.1(2) . .
C33 C34 C22 121.6(2) . .
C29 C34 C22 115.24(19) . .
C36 C35 C49 118.2(2) . .
C36 C35 C2 133.8(2) . .
C49 C35 C2 108.0(2) . .
C35 C36 C37 120.7(2) . .
C35 C36 H13 119.6 . .
C37 C36 H13 119.6 . .
C38 C37 C36 120.7(2) . .
C38 C37 H14 119.6 . .
C36 C37 H14 119.6 . .
C37 C38 C50 117.3(2) . .
C37 C38 C39 139.2(2) . .
C50 C38 C39 103.5(2) . .
C40 C39 C44 119.5(2) . .
C40 C39 C38 130.9(2) . .
C44 C39 C38 109.5(2) . .
C41 C40 C39 119.2(3) . .
C41 C40 H15 120.4 . .
C39 C40 H15 120.4 . .
O5 C41 C40 124.5(3) . .
O5 C41 C42 115.0(2) . .
C40 C41 C42 120.5(2) . .
C43 C42 O6 123.9(3) . .
C43 C42 C41 121.1(2) . .
O6 C42 C41 115.0(2) . .
C42 C43 C44 119.5(3) . .
C42 C43 H16 120.3 . .
C44 C43 H16 120.3 . .
C43 C44 C39 120.2(2) . .
C43 C44 C45 132.1(2) . .
C39 C44 C45 107.7(2) . .
C46 C45 C50 117.4(2) . .
C46 C45 C44 138.8(2) . .
C50 C45 C44 103.8(2) . .
C45 C46 C47 120.1(2) . .
C45 C46 H17 119.9 . .
C47 C46 H17 119.9 . .
C48 C47 C46 122.2(2) . .
C48 C47 H18 118.9 . .
C46 C47 H18 118.9 . .
C47 C48 C49 116.9(2) . .
C47 C48 C1 135.5(2) . .
C49 C48 C1 107.5(2) . .
C50 C49 C48 121.8(2) . .
C50 C49 C35 120.0(2) . .
C48 C49 C35 118.1(2) . .
C49 C50 C38 123.0(2) . .
C49 C50 C45 121.5(2) . .
C38 C50 C45 115.5(2) . .
C9 O1 C51 116.6(2) . .
O1 C51 H19 109.5 . .
O1 C51 H20 109.5 . .
H19 C51 H20 109.5 . .
O1 C51 H21 109.5 . .
H19 C51 H21 109.5 . .
H20 C51 H21 109.5 . .
C10 O2 C52 118.2(2) . .
O2 C52 H22 109.5 . .
O2 C52 H23 109.5 . .
H22 C52 H23 109.5 . .
O2 C52 H24 109.5 . .
H22 C52 H24 109.5 . .
H23 C52 H24 109.5 . .
C25 O3 C53 117.20(19) . .
O3 C53 H25 109.5 . .
O3 C53 H26 109.5 . .
H25 C53 H26 109.5 . .
O3 C53 H27 109.5 . .
H25 C53 H27 109.5 . .
H26 C53 H27 109.5 . .
C26 O4 C54 117.63(18) . .
O4 C54 H28 109.5 . .
O4 C54 H29 109.5 . .
H28 C54 H29 109.5 . .
O4 C54 H30 109.5 . .
H28 C54 H30 109.5 . .
H29 C54 H30 109.5 . .
C41 O5 C55 118.2(2) . .
O5 C55 H31 109.5 . .
O5 C55 H32 109.5 . .
H31 C55 H32 109.5 . .
O5 C55 H33 109.5 . .
H31 C55 H33 109.5 . .
H32 C55 H33 109.5 . .
C42 O6 C56 117.7(2) . .
O6 C56 H34 109.5 . .
O6 C56 H35 109.5 . .
H34 C56 H35 109.5 . .
O6 C56 H36 109.5 . .
H34 C56 H36 109.5 . .
H35 C56 H36 109.5 . .
F1 C57 C59 119.0(3) . 7
F1 C57 C58 117.2(3) . .
C59 C57 C58 123.7(3) 7 .
C61 C58 C57 125.6(3) . .
C61 C58 C59 122.1(3) . .
C57 C58 C59 112.2(3) . .
C57 C59 F2 117.7(3) 7 .
C57 C59 C58 124.0(3) 7 .
F2 C59 C58 118.2(3) . .
N1 C60 C61 174.6(4) . .
C58 C61 C62 126.3(3) . .
C58 C61 C60 121.0(3) . .
C62 C61 C60 112.6(3) . .
N2 C62 C61 176.4(4) . .
C65 C63 F3 117.4(2) 5_666 .
C65 C63 C64 124.3(2) 5_666 .
F3 C63 C64 118.38(19) . .
C67 C64 C63 124.1(2) . .
C67 C64 C65 123.2(2) . .
C63 C64 C65 112.62(19) . .
C63 C65 F4 119.0(2) 5_666 .
C63 C65 C64 123.1(2) 5_666 .
F4 C65 C64 117.91(19) . .
N3 C66 C67 174.7(3) . .
C64 C67 C66 123.3(2) . .
C64 C67 C68 125.2(2) . .
C66 C67 C68 111.4(2) . .
N4 C68 C67 175.6(3) . .
C71 C69 F5 117.9(3) 7_556 .
C71 C69 C70 123.5(3) 7_556 .
F5 C69 C70 118.5(3) . .
C73 C70 C69 124.0(3) . .
C73 C70 C71 123.4(3) . .
C69 C70 C71 112.6(3) . .
C69 C71 F6 117.9(3) 7_556 .
C69 C71 C70 123.9(3) 7_556 .
F6 C71 C70 118.2(3) . .
N5 C72 C73 176.2(4) . .
C70 C73 C72 124.5(3) . .
C70 C73 C74 123.7(3) . .
C72 C73 C74 111.9(3) . .
N6 C74 C73 174.0(4) . .
C76 C75 Cl1 107.3(3) . .
C75 C76 Cl2 103.5(3) . .
Cl4 Cl3 C78 98.5(4) . .
Cl4 Cl3 C77 73.8(4) . .
C78 Cl3 C77 34.9(2) . .
Cl3 Cl4 C77 82.4(4) . .
C78 C77 Cl4 77.2(5) . .
C78 C77 Cl5 64.6(4) . .
Cl4 C77 Cl5 141.8(3) . .
C78 C77 Cl3 59.8(4) . .
Cl4 C77 Cl3 23.78(16) . .
Cl5 C77 Cl3 122.2(3) . .
C77 C78 Cl3 85.3(5) . .
C77 C78 Cl5 81.0(5) . .
Cl3 C78 Cl5 158.7(4) . .
C78 Cl5 C77 34.3(2) . .
C87 C79 Cl16 109.5(9) . .
Cl18 Cl7 C80 64.8(5) . .
Cl18 Cl7 C81 47.8(5) . .
C80 Cl7 C81 21.0(5) . .
C86 C80 C81 42.0(11) . .
C86 C80 C88 22.6(16) . .
C81 C80 C88 56.3(8) . .
C86 C80 Cl18 140.8(17) . .
C81 C80 Cl18 101.8(10) . .
C88 C80 Cl18 157.6(9) . .
C86 C80 Cl7 154(2) . .
C81 C80 Cl7 130.1(11) . .
C88 C80 Cl7 168.9(9) . .
Cl18 C80 Cl7 31.9(3) . .
C86 C80 Cl14 48.9(10) . .
C81 C80 Cl14 90.9(8) . .
C88 C80 Cl14 39.4(5) . .
Cl18 C80 Cl14 160.7(6) . .
Cl7 C80 Cl14 130.0(5) . .
C86 C81 C80 52.8(16) . .
C86 C81 C88 29.2(13) . .
C80 C81 C88 73.4(9) . .
C86 C81 Cl18 95.2(15) . .
C80 C81 Cl18 44.0(7) . .
C88 C81 Cl18 117.1(8) . .
C86 C81 Cl7 77.8(14) . .
C80 C81 Cl7 29.0(6) . .
C88 C81 Cl7 101.8(8) . .
Cl18 C81 Cl7 17.89(16) . .
C88 Cl8 Cl14 54.0(4) . .
C88 Cl8 C86 7.3(9) . .
Cl14 Cl8 C86 54.9(4) . .
Cl12 Cl11 C84 74.8(4) . .
Cl12 Cl11 C85 81.7(5) . .
C84 Cl11 C85 29.5(4) . .
Cl11 Cl12 C84 61.7(4) . .
C85 C84 Cl11 91.3(10) . .
C85 C84 Cl12 97.9(11) . .
Cl11 C84 Cl12 43.5(3) . .
C85 C84 Cl15 50.4(10) . .
Cl11 C84 Cl15 127.4(5) . .
Cl12 C84 Cl15 148.1(5) . .
Cl15 Cl13 C85 41.5(5) . .
C84 C85 Cl15 97.7(13) . .
C84 C85 Cl11 59.1(9) . .
Cl15 C85 Cl11 136.4(8) . .
C84 C85 Cl13 94.9(11) . .
Cl15 C85 Cl13 28.1(3) . .
Cl11 C85 Cl13 111.6(5) . .
C88 Cl14 Cl8 55.1(6) . .
C88 Cl14 C86 20.2(7) . .
Cl8 Cl14 C86 73.6(5) . .
C88 Cl14 C80 36.4(6) . .
Cl8 Cl14 C80 91.3(3) . .
C86 Cl14 C80 21.8(7) . .
Cl13 Cl15 C85 110.4(7) . .
Cl13 Cl15 C84 105.2(6) . .
C85 Cl15 C84 32.0(5) . .
C88 C86 C81 117(2) . .
C88 C86 C80 126(4) . .
C81 C86 C80 85.1(17) . .
C88 C86 Cl14 50.7(13) . .
C81 C86 Cl14 164.9(19) . .
C80 C86 Cl14 109.3(15) . .
C88 C86 Cl8 17(2) . .
C81 C86 Cl8 114.1(14) . .
C80 C86 Cl8 143(2) . .
Cl14 C86 Cl8 51.5(4) . .
C88 C86 Cl18 145(3) . .
C81 C86 Cl18 64.4(13) . .
C80 C86 Cl18 23.9(10) . .
Cl14 C86 Cl18 130.6(9) . .
Cl8 C86 Cl18 161.2(14) . .
C79 C87 Cl6 119.3(7) . .
C86 C88 C81 33.5(12) . .
C86 C88 C80 31(3) . .
C81 C88 C80 50.3(7) . .
C86 C88 Cl14 109.1(16) . .
C81 C88 Cl14 141.7(11) . .
C80 C88 Cl14 104.2(9) . .
C86 C88 Cl8 156(3) . .
C81 C88 Cl8 137.2(11) . .
C80 C88 Cl8 171.9(11) . .
Cl14 C88 Cl8 70.9(6) . .
Cl7 Cl18 C80 83.3(6) . .
Cl7 Cl18 C81 114.3(6) . .
C80 Cl18 C81 34.2(5) . .
Cl7 Cl18 C86 94.3(6) . .
C80 Cl18 C86 15.2(8) . .
C81 Cl18 C86 20.4(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C32 1.512(3) .
C1 C48 1.514(3) .
C1 C16 1.525(3) .
C1 C2 1.701(3) .
C2 C3 1.516(3) .
C2 C35 1.519(3) .
C2 C19 1.529(3) .
C3 C4 1.387(3) .
C3 C17 1.390(3) .
C4 C5 1.404(4) .
C4 H1 0.9400 .
C5 C6 1.398(4) .
C5 H2 0.9400 .
C6 C18 1.412(4) .
C6 C7 1.480(4) .
C7 C8 1.401(4) .
C7 C12 1.426(4) .
C8 C9 1.382(4) .
C8 H3 0.9400 .
C9 O1 1.359(3) .
C9 C10 1.396(4) .
C10 O2 1.354(3) .
C10 C11 1.372(4) .
C11 C12 1.386(4) .
C11 H4 0.9400 .
C12 C13 1.489(4) .
C13 C14 1.364(4) .
C13 C18 1.403(4) .
C14 C15 1.420(3) .
C14 H5 0.9400 .
C15 C16 1.379(3) .
C15 H6 0.9400 .
C16 C17 1.396(3) .
C17 C18 1.371(4) .
C19 C20 1.388(3) .
C19 C33 1.391(3) .
C20 C21 1.417(3) .
C20 H7 0.9400 .
C21 C22 1.383(3) .
C21 H8 0.9400 .
C22 C34 1.413(3) .
C22 C23 1.477(3) .
C23 C24 1.392(3) .
C23 C28 1.411(3) .
C24 C25 1.382(3) .
C24 H9 0.9400 .
C25 O3 1.370(3) .
C25 C26 1.416(4) .
C26 C27 1.367(3) .
C26 O4 1.375(3) .
C27 C28 1.382(3) .
C27 H10 0.9400 .
C28 C29 1.485(3) .
C29 C34 1.383(3) .
C29 C30 1.391(3) .
C30 C31 1.413(3) .
C30 H11 0.9400 .
C31 C32 1.385(3) .
C31 H12 0.9400 .
C32 C33 1.395(3) .
C33 C34 1.381(3) .
C35 C36 1.385(3) .
C35 C49 1.399(3) .
C36 C37 1.429(3) .
C36 H13 0.9400 .
C37 C38 1.377(3) .
C37 H14 0.9400 .
C38 C50 1.392(3) .
C38 C39 1.471(3) .
C39 C40 1.401(3) .
C39 C44 1.421(4) .
C40 C41 1.373(3) .
C40 H15 0.9400 .
C41 O5 1.365(3) .
C41 C42 1.404(4) .
C42 C43 1.368(3) .
C42 O6 1.372(3) .
C43 C44 1.380(3) .
C43 H16 0.9400 .
C44 C45 1.484(3) .
C45 C46 1.402(3) .
C45 C50 1.404(3) .
C46 C47 1.402(3) .
C46 H17 0.9400 .
C47 C48 1.392(3) .
C47 H18 0.9400 .
C48 C49 1.391(3) .
C49 C50 1.382(3) .
O1 C51 1.425(4) .
C51 H19 0.9700 .
C51 H20 0.9700 .
C51 H21 0.9700 .
O2 C52 1.435(4) .
C52 H22 0.9700 .
C52 H23 0.9700 .
C52 H24 0.9700 .
O3 C53 1.424(3) .
C53 H25 0.9700 .
C53 H26 0.9700 .
C53 H27 0.9700 .
O4 C54 1.412(3) .
C54 H28 0.9700 .
C54 H29 0.9700 .
C54 H30 0.9700 .
O5 C55 1.411(3) .
C55 H31 0.9700 .
C55 H32 0.9700 .
C55 H33 0.9700 .
O6 C56 1.443(4) .
C56 H34 0.9700 .
C56 H35 0.9700 .
C56 H36 0.9700 .
F1 C57 1.330(3) .
C57 C59 1.336(4) 7
C57 C58 1.422(4) .
C58 C61 1.370(4) .
C58 C59 1.440(4) .
C59 C57 1.336(4) 7
C59 F2 1.347(3) .
N1 C60 1.151(4) .
C60 C61 1.467(5) .
C61 C62 1.396(4) .
C62 N2 1.147(4) .
F3 C63 1.346(3) .
C63 C65 1.340(3) 5_666
C63 C64 1.405(3) .
C64 C67 1.366(3) .
C64 C65 1.440(3) .
C65 C63 1.340(3) 5_666
C65 F4 1.355(3) .
N3 C66 1.138(3) .
C66 C67 1.443(4) .
C67 C68 1.453(4) .
C68 N4 1.145(3) .
F5 C69 1.356(4) .
C69 C71 1.332(4) 7_556
C69 C70 1.400(4) .
C70 C73 1.374(4) .
C70 C71 1.418(4) .
C71 C69 1.332(4) 7_556
C71 F6 1.368(4) .
N5 C72 1.180(5) .
C72 C73 1.432(5) .
C73 C74 1.440(5) .
C74 N6 1.117(4) .
Cl1 C75 1.767(6) .
C75 C76 1.463(6) .
C76 Cl2 1.890(5) .
Cl3 Cl4 0.913(6) .
Cl3 C78 1.947(9) .
Cl3 C77 2.245(8) .
Cl4 C77 2.175(7) .
C77 C78 1.291(8) .
C77 Cl5 2.260(6) .
C78 Cl5 2.068(8) .
Cl6 C87 1.585(9) .
C79 C87 1.374(18) .
C79 Cl16 1.543(11) .
Cl7 Cl18 0.783(5) .
Cl7 C80 1.471(9) .
Cl7 C81 2.324(9) .
C80 C86 0.87(2) .
C80 C81 1.086(12) .
C80 C88 1.352(15) .
C80 Cl18 1.340(10) .
C80 Cl14 2.208(11) .
C81 C86 0.730(15) .
C81 C88 1.174(14) .
C81 Cl18 1.890(10) .
Cl8 C88 1.464(13) .
Cl8 Cl14 1.686(8) .
Cl8 C86 2.068(12) .
C82 Cl19 2.001(14) .
C83 Cl10 1.174(19) .
Cl11 Cl12 1.403(7) .
Cl11 C84 1.793(8) .
Cl11 C85 2.088(15) .
Cl12 C84 1.966(11) .
C84 C85 1.030(13) .
C84 Cl15 1.928(11) .
Cl13 Cl15 1.064(7) .
Cl13 C85 2.119(14) .
C85 Cl15 1.498(16) .
Cl14 C88 1.445(11) .
Cl14 C86 1.764(12) .
C86 C88 0.644(18) .
C86 Cl18 2.087(14) .
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
C32 C1 C2 C3 -119.17(18) . .
C48 C1 C2 C3 119.95(18) . .
C16 C1 C2 C3 0.60(19) . .
C32 C1 C2 C35 120.38(19) . .
C48 C1 C2 C35 -0.5(2) . .
C16 C1 C2 C35 -119.84(18) . .
C32 C1 C2 C19 1.1(2) . .
C48 C1 C2 C19 -119.81(19) . .
C16 C1 C2 C19 120.84(18) . .
C35 C2 C3 C4 -70.0(3) . .
C19 C2 C3 C4 67.6(3) . .
C1 C2 C3 C4 178.6(2) . .
C35 C2 C3 C17 110.3(2) . .
C19 C2 C3 C17 -112.1(2) . .
C1 C2 C3 C17 -1.0(2) . .
C17 C3 C4 C5 -1.7(3) . .
C2 C3 C4 C5 178.7(2) . .
C3 C4 C5 C6 0.8(3) . .
C4 C5 C6 C18 0.0(3) . .
C4 C5 C6 C7 -177.6(2) . .
C5 C6 C7 C8 -0.2(5) . .
C18 C6 C7 C8 -177.9(2) . .
C5 C6 C7 C12 179.0(3) . .
C18 C6 C7 C12 1.2(2) . .
C12 C7 C8 C9 -1.1(3) . .
C6 C7 C8 C9 178.0(2) . .
C7 C8 C9 O1 -176.8(2) . .
C7 C8 C9 C10 1.2(4) . .
O1 C9 C10 O2 -0.4(3) . .
C8 C9 C10 O2 -178.6(2) . .
O1 C9 C10 C11 178.7(2) . .
C8 C9 C10 C11 0.5(4) . .
O2 C10 C11 C12 176.6(2) . .
C9 C10 C11 C12 -2.4(4) . .
C10 C11 C12 C7 2.5(3) . .
C10 C11 C12 C13 -176.6(2) . .
C8 C7 C12 C11 -0.7(3) . .
C6 C7 C12 C11 180.0(2) . .
C8 C7 C12 C13 178.5(2) . .
C6 C7 C12 C13 -0.7(2) . .
C11 C12 C13 C14 -0.3(5) . .
C7 C12 C13 C14 -179.5(3) . .
C11 C12 C13 C18 179.1(2) . .
C7 C12 C13 C18 -0.1(2) . .
C18 C13 C14 C15 0.6(3) . .
C12 C13 C14 C15 -180.0(2) . .
C13 C14 C15 C16 -1.7(3) . .
C14 C15 C16 C17 1.4(3) . .
C14 C15 C16 C1 -177.3(2) . .
C32 C1 C16 C15 -69.1(3) . .
C48 C1 C16 C15 67.0(3) . .
C2 C1 C16 C15 178.8(2) . .
C32 C1 C16 C17 112.1(2) . .
C48 C1 C16 C17 -111.8(2) . .
C2 C1 C16 C17 0.0(2) . .
C4 C3 C17 C18 1.8(3) . .
C2 C3 C17 C18 -178.45(19) . .
C4 C3 C17 C16 -178.51(19) . .
C2 C3 C17 C16 1.2(3) . .
C15 C16 C17 C18 -0.1(3) . .
C1 C16 C17 C18 178.88(19) . .
C15 C16 C17 C3 -179.83(19) . .
C1 C16 C17 C3 -0.8(3) . .
C3 C17 C18 C13 178.8(2) . .
C16 C17 C18 C13 -0.9(3) . .
C3 C17 C18 C6 -1.1(3) . .
C16 C17 C18 C6 179.3(2) . .
C14 C13 C18 C17 0.7(3) . .
C12 C13 C18 C17 -178.9(2) . .
C14 C13 C18 C6 -179.51(19) . .
C12 C13 C18 C6 0.9(2) . .
C5 C6 C18 C17 0.1(3) . .
C7 C6 C18 C17 178.5(2) . .
C5 C6 C18 C13 -179.72(19) . .
C7 C6 C18 C13 -1.3(2) . .
C3 C2 C19 C20 -68.7(4) . .
C35 C2 C19 C20 69.1(4) . .
C1 C2 C19 C20 179.5(3) . .
C3 C2 C19 C33 110.3(2) . .
C35 C2 C19 C33 -111.9(2) . .
C1 C2 C19 C33 -1.5(2) . .
C33 C19 C20 C21 -1.4(3) . .
C2 C19 C20 C21 177.5(2) . .
C19 C20 C21 C22 0.2(4) . .
C20 C21 C22 C34 0.4(3) . .
C20 C21 C22 C23 -178.5(3) . .
C21 C22 C23 C24 0.8(5) . .
C34 C22 C23 C24 -178.2(2) . .
C21 C22 C23 C28 -179.0(3) . .
C34 C22 C23 C28 2.0(3) . .
C28 C23 C24 C25 -2.5(3) . .
C22 C23 C24 C25 177.8(2) . .
C23 C24 C25 O3 -178.2(2) . .
C23 C24 C25 C26 3.6(3) . .
O3 C25 C26 C27 179.5(2) . .
C24 C25 C26 C27 -2.0(4) . .
O3 C25 C26 O4 1.6(3) . .
C24 C25 C26 O4 -179.9(2) . .
O4 C26 C27 C28 177.1(2) . .
C25 C26 C27 C28 -0.6(4) . .
C26 C27 C28 C23 1.6(4) . .
C26 C27 C28 C29 -177.2(2) . .
C24 C23 C28 C27 -0.1(4) . .
C22 C23 C28 C27 179.7(2) . .
C24 C23 C28 C29 179.0(2) . .
C22 C23 C28 C29 -1.3(3) . .
C27 C28 C29 C34 178.9(2) . .
C23 C28 C29 C34 -0.1(3) . .
C27 C28 C29 C30 -1.6(5) . .
C23 C28 C29 C30 179.5(3) . .
C34 C29 C30 C31 -1.4(3) . .
C28 C29 C30 C31 179.1(3) . .
C29 C30 C31 C32 1.3(4) . .
C30 C31 C32 C33 0.3(3) . .
C30 C31 C32 C1 -179.1(2) . .
C48 C1 C32 C31 -68.0(3) . .
C16 C1 C32 C31 67.7(3) . .
C2 C1 C32 C31 179.2(3) . .
C48 C1 C32 C33 112.6(2) . .
C16 C1 C32 C33 -111.7(2) . .
C2 C1 C32 C33 -0.2(2) . .
C20 C19 C33 C34 2.2(3) . .
C2 C19 C33 C34 -177.0(2) . .
C20 C19 C33 C32 -179.2(2) . .
C2 C19 C33 C32 1.7(3) . .
C31 C32 C33 C34 -1.8(3) . .
C1 C32 C33 C34 177.8(2) . .
C31 C32 C33 C19 179.6(2) . .
C1 C32 C33 C19 -0.9(3) . .
C19 C33 C34 C29 -179.7(2) . .
C32 C33 C34 C29 1.7(4) . .
C19 C33 C34 C22 -1.7(4) . .
C32 C33 C34 C22 179.7(2) . .
C30 C29 C34 C33 -0.1(4) . .
C28 C29 C34 C33 179.6(2) . .
C30 C29 C34 C22 -178.2(2) . .
C28 C29 C34 C22 1.5(3) . .
C21 C22 C34 C33 0.4(3) . .
C23 C22 C34 C33 179.7(2) . .
C21 C22 C34 C29 178.5(2) . .
C23 C22 C34 C29 -2.2(3) . .
C3 C2 C35 C36 66.1(3) . .
C19 C2 C35 C36 -71.7(3) . .
C1 C2 C35 C36 178.1(3) . .
C3 C2 C35 C49 -112.4(2) . .
C19 C2 C35 C49 109.8(2) . .
C1 C2 C35 C49 -0.4(2) . .
C49 C35 C36 C37 -1.8(3) . .
C2 C35 C36 C37 179.8(2) . .
C35 C36 C37 C38 1.5(4) . .
C36 C37 C38 C50 -0.6(4) . .
C36 C37 C38 C39 179.0(3) . .
C37 C38 C39 C40 0.6(5) . .
C50 C38 C39 C40 -179.8(3) . .
C37 C38 C39 C44 -177.3(3) . .
C50 C38 C39 C44 2.3(3) . .
C44 C39 C40 C41 -0.5(4) . .
C38 C39 C40 C41 -178.2(3) . .
C39 C40 C41 O5 -177.6(2) . .
C39 C40 C41 C42 0.6(4) . .
O5 C41 C42 C43 178.4(2) . .
C40 C41 C42 C43 0.0(4) . .
O5 C41 C42 O6 -1.7(3) . .
C40 C41 C42 O6 179.9(2) . .
O6 C42 C43 C44 179.3(2) . .
C41 C42 C43 C44 -0.8(4) . .
C42 C43 C44 C39 1.0(4) . .
C42 C43 C44 C45 180.0(3) . .
C40 C39 C44 C43 -0.3(4) . .
C38 C39 C44 C43 177.8(2) . .
C40 C39 C44 C45 -179.6(2) . .
C38 C39 C44 C45 -1.4(3) . .
C43 C44 C45 C46 1.9(5) . .
C39 C44 C45 C46 -179.0(3) . .
C43 C44 C45 C50 -179.2(3) . .
C39 C44 C45 C50 -0.1(3) . .
C50 C45 C46 C47 1.8(4) . .
C44 C45 C46 C47 -179.3(3) . .
C45 C46 C47 C48 -1.2(4) . .
C46 C47 C48 C49 0.5(4) . .
C46 C47 C48 C1 -179.7(3) . .
C32 C1 C48 C47 68.5(4) . .
C16 C1 C48 C47 -67.3(4) . .
C2 C1 C48 C47 -178.6(3) . .
C32 C1 C48 C49 -111.7(2) . .
C16 C1 C48 C49 112.5(2) . .
C2 C1 C48 C49 1.3(2) . .
C47 C48 C49 C50 -0.4(4) . .
C1 C48 C49 C50 179.7(2) . .
C47 C48 C49 C35 178.1(2) . .
C1 C48 C49 C35 -1.8(3) . .
C36 C35 C49 C50 1.2(4) . .
C2 C35 C49 C50 180.0(2) . .
C36 C35 C49 C48 -177.4(2) . .
C2 C35 C49 C48 1.4(3) . .
C48 C49 C50 C38 178.3(2) . .
C35 C49 C50 C38 -0.3(4) . .
C48 C49 C50 C45 1.1(4) . .
C35 C49 C50 C45 -177.4(2) . .
C37 C38 C50 C49 -0.1(4) . .
C39 C38 C50 C49 -179.8(2) . .
C37 C38 C50 C45 177.2(2) . .
C39 C38 C50 C45 -2.5(3) . .
C46 C45 C50 C49 -1.7(4) . .
C44 C45 C50 C49 179.0(2) . .
C46 C45 C50 C38 -179.1(2) . .
C44 C45 C50 C38 1.7(3) . .
C8 C9 O1 C51 -3.4(3) . .
C10 C9 O1 C51 178.4(2) . .
C11 C10 O2 C52 4.1(4) . .
C9 C10 O2 C52 -176.8(2) . .
C24 C25 O3 C53 -2.7(3) . .
C26 C25 O3 C53 175.6(2) . .
C27 C26 O4 C54 2.6(4) . .
C25 C26 O4 C54 -179.6(2) . .
C40 C41 O5 C55 -1.9(4) . .
C42 C41 O5 C55 179.8(2) . .
C43 C42 O6 C56 7.3(4) . .
C41 C42 O6 C56 -172.6(2) . .
F1 C57 C58 C61 -1.9(4) . .
C59 C57 C58 C61 179.3(3) 7 .
F1 C57 C58 C59 178.6(2) . .
C59 C57 C58 C59 -0.2(4) 7 .
C61 C58 C59 C57 -179.3(2) . 7
C57 C58 C59 C57 0.2(4) . 7
C61 C58 C59 F2 1.3(3) . .
C57 C58 C59 F2 -179.2(2) . .
C57 C58 C61 C62 -176.0(3) . .
C59 C58 C61 C62 3.4(4) . .
C57 C58 C61 C60 -0.1(4) . .
C59 C58 C61 C60 179.3(2) . .
N1 C60 C61 C58 176(100) . .
N1 C60 C61 C62 -7(3) . .
C58 C61 C62 N2 180(100) . .
C60 C61 C62 N2 4(5) . .
C65 C63 C64 C67 177.2(3) 5_666 .
F3 C63 C64 C67 -3.6(4) . .
C65 C63 C64 C65 -0.8(4) 5_666 .
F3 C63 C64 C65 178.3(2) . .
C67 C64 C65 C63 -177.2(2) . 5_666
C63 C64 C65 C63 0.8(4) . 5_666
C67 C64 C65 F4 2.2(4) . .
C63 C64 C65 F4 -179.7(2) . .
C63 C64 C67 C66 -0.6(4) . .
C65 C64 C67 C66 177.2(2) . .
C63 C64 C67 C68 -178.1(2) . .
C65 C64 C67 C68 -0.2(4) . .
N3 C66 C67 C64 -172(3) . .
N3 C66 C67 C68 5(3) . .
C64 C67 C68 N4 170(4) . .
C66 C67 C68 N4 -7(4) . .
C71 C69 C70 C73 179.5(3) 7_556 .
F5 C69 C70 C73 1.4(5) . .
C71 C69 C70 C71 -1.6(5) 7_556 .
F5 C69 C70 C71 -179.8(3) . .
C73 C70 C71 C69 -179.5(3) . 7_556
C69 C70 C71 C69 1.7(5) . 7_556
C73 C70 C71 F6 1.0(5) . .
C69 C70 C71 F6 -177.8(3) . .
C69 C70 C73 C72 -0.3(5) . .
C71 C70 C73 C72 -179.0(3) . .
C69 C70 C73 C74 -179.3(3) . .
C71 C70 C73 C74 2.0(5) . .
N5 C72 C73 C70 -144(6) . .
N5 C72 C73 C74 35(6) . .
C70 C73 C74 N6 179(100) . .
C72 C73 C74 N6 0(4) . .
Cl1 C75 C76 Cl2 -176.4(2) . .
C78 Cl3 Cl4 C77 -25.0(3) . .
Cl3 Cl4 C77 C78 40.3(4) . .
Cl3 Cl4 C77 Cl5 41.9(5) . .
Cl4 Cl3 C77 C78 -133.2(5) . .
C78 Cl3 C77 Cl4 133.2(5) . .
Cl4 Cl3 C77 Cl5 -150.7(3) . .
C78 Cl3 C77 Cl5 -17.6(3) . .
Cl4 C77 C78 Cl3 -17.55(19) . .
Cl5 C77 C78 Cl3 163.6(3) . .
Cl4 C77 C78 Cl5 178.8(2) . .
Cl3 C77 C78 Cl5 -163.6(3) . .
Cl4 Cl3 C78 C77 45.1(5) . .
Cl4 Cl3 C78 Cl5 95.2(11) . .
C77 Cl3 C78 Cl5 50.1(10) . .
Cl3 C78 Cl5 C77 -50.7(10) . .
Cl4 C77 Cl5 C78 -1.8(3) . .
Cl3 C77 Cl5 C78 16.8(3) . .
Cl18 Cl7 C80 C86 93(3) . .
C81 Cl7 C80 C86 61(3) . .
Cl18 Cl7 C80 C81 32.4(12) . .
Cl18 Cl7 C80 C88 154(6) . .
C81 Cl7 C80 C88 121(7) . .
C81 Cl7 C80 Cl18 -32.4(12) . .
Cl18 Cl7 C80 Cl14 169.5(11) . .
C81 Cl7 C80 Cl14 137(2) . .
C88 C80 C81 C86 -23(2) . .
Cl18 C80 C81 C86 162(3) . .
Cl7 C80 C81 C86 145(3) . .
Cl14 C80 C81 C86 -3(2) . .
C86 C80 C81 C88 23(2) . .
Cl18 C80 C81 C88 -174.6(10) . .
Cl7 C80 C81 C88 168.6(13) . .
Cl14 C80 C81 C88 20.0(6) . .
C86 C80 C81 Cl18 -162(3) . .
C88 C80 C81 Cl18 174.6(10) . .
Cl7 C80 C81 Cl18 -16.8(6) . .
Cl14 C80 C81 Cl18 -165.4(9) . .
C86 C80 C81 Cl7 -145(3) . .
C88 C80 C81 Cl7 -168.6(13) . .
Cl18 C80 C81 Cl7 16.8(6) . .
Cl14 C80 C81 Cl7 -148.6(14) . .
Cl18 Cl7 C81 C86 -167(2) . .
C80 Cl7 C81 C86 -28(2) . .
Cl18 Cl7 C81 C80 -139.1(15) . .
Cl18 Cl7 C81 C88 -150.3(9) . .
C80 Cl7 C81 C88 -11.2(13) . .
C80 Cl7 C81 Cl18 139.1(15) . .
C85 Cl11 Cl12 C84 29.4(4) . .
Cl12 Cl11 C84 C85 100.2(9) . .
C85 Cl11 C84 Cl12 -100.2(9) . .
Cl12 Cl11 C84 Cl15 138.3(7) . .
C85 Cl11 C84 Cl15 38.2(8) . .
Cl11 Cl12 C84 C85 -83.5(9) . .
Cl11 Cl12 C84 Cl15 -88.7(10) . .
Cl11 C84 C85 Cl15 140.4(7) . .
Cl12 C84 C85 Cl15 -176.4(6) . .
Cl12 C84 C85 Cl11 43.2(3) . .
Cl15 C84 C85 Cl11 -140.4(7) . .
Cl11 C84 C85 Cl13 112.3(6) . .
Cl12 C84 C85 Cl13 155.4(5) . .
Cl15 C84 C85 Cl13 -28.1(4) . .
Cl12 Cl11 C85 C84 -73.7(9) . .
Cl12 Cl11 C85 Cl15 -140.1(11) . .
C84 Cl11 C85 Cl15 -66.3(13) . .
Cl12 Cl11 C85 Cl13 -156.3(6) . .
C84 Cl11 C85 Cl13 -82.6(11) . .
Cl15 Cl13 C85 C84 97.1(12) . .
Cl15 Cl13 C85 Cl11 155.8(10) . .
C86 Cl8 Cl14 C88 8.9(11) . .
C88 Cl8 Cl14 C86 -8.9(11) . .
C88 Cl8 Cl14 C80 4.0(6) . .
C86 Cl8 Cl14 C80 12.9(10) . .
C86 C80 Cl14 C88 -30(2) . .
C81 C80 Cl14 C88 -26.7(9) . .
Cl18 C80 Cl14 C88 -158(3) . .
Cl7 C80 Cl14 C88 -175.3(15) . .
C86 C80 Cl14 Cl8 -35(2) . .
C81 C80 Cl14 Cl8 -32.2(8) . .
C88 C80 Cl14 Cl8 -5.5(8) . .
Cl18 C80 Cl14 Cl8 -164(3) . .
Cl7 C80 Cl14 Cl8 179.3(9) . .
C81 C80 Cl14 C86 3(2) . .
C88 C80 Cl14 C86 30(2) . .
Cl18 C80 Cl14 C86 -129(4) . .
Cl7 C80 Cl14 C86 -146(3) . .
C85 Cl13 Cl15 C84 -33.2(6) . .
C84 C85 Cl15 Cl13 -86.1(11) . .
Cl11 C85 Cl15 Cl13 -33.6(13) . .
Cl11 C85 Cl15 C84 52.5(9) . .
Cl13 C85 Cl15 C84 86.1(11) . .
C85 C84 Cl15 Cl13 104.4(11) . .
Cl11 C84 Cl15 Cl13 51.0(8) . .
Cl12 C84 Cl15 Cl13 111.1(10) . .
Cl11 C84 Cl15 C85 -53.4(10) . .
Cl12 C84 Cl15 C85 6.7(11) . .
C80 C81 C86 C88 128(5) . .
Cl18 C81 C86 C88 141(4) . .
Cl7 C81 C86 C88 145(4) . .
C88 C81 C86 C80 -128(5) . .
Cl18 C81 C86 C80 12.5(18) . .
Cl7 C81 C86 C80 16.5(12) . .
C80 C81 C86 Cl14 163(13) . .
C88 C81 C86 Cl14 35(8) . .
Cl18 C81 C86 Cl14 176(11) . .
Cl7 C81 C86 Cl14 180(100) . .
C80 C81 C86 Cl8 147(3) . .
C88 C81 C86 Cl8 18(2) . .
Cl18 C81 C86 Cl8 159.3(16) . .
Cl7 C81 C86 Cl8 163(2) . .
C80 C81 C86 Cl18 -12.5(18) . .
C88 C81 C86 Cl18 -141(4) . .
Cl7 C81 C86 Cl18 4.0(7) . .
C81 C80 C86 C88 -121(4) . .
Cl18 C80 C86 C88 -149(2) . .
Cl7 C80 C86 C88 154(3) . .
Cl14 C80 C86 C88 54.9(19) . .
C88 C80 C86 C81 121(4) . .
Cl18 C80 C86 C81 -29(4) . .
Cl7 C80 C86 C81 -85(3) . .
Cl14 C80 C86 C81 175(3) . .
C81 C80 C86 Cl14 -175(3) . .
C88 C80 C86 Cl14 -54.9(19) . .
Cl18 C80 C86 Cl14 155.9(13) . .
Cl7 C80 C86 Cl14 99(3) . .
C81 C80 C86 Cl8 -124(3) . .
C88 C80 C86 Cl8 -3.9(12) . .
Cl18 C80 C86 Cl8 -153.1(13) . .
Cl7 C80 C86 Cl8 150(2) . .
Cl14 C80 C86 Cl8 51.0(14) . .
C81 C80 C86 Cl18 29(4) . .
C88 C80 C86 Cl18 149(2) . .
Cl7 C80 C86 Cl18 -57(3) . .
Cl14 C80 C86 Cl18 -155.9(13) . .
Cl8 Cl14 C86 C88 22(3) . .
C80 Cl14 C86 C88 -121(4) . .
C88 Cl14 C86 C81 -41(10) . .
Cl8 Cl14 C86 C81 -19(11) . .
C80 Cl14 C86 C81 -162(13) . .
C88 Cl14 C86 C80 121(4) . .
Cl8 Cl14 C86 C80 143(2) . .
C88 Cl14 C86 Cl8 -22(3) . .
C80 Cl14 C86 Cl8 -143(2) . .
C88 Cl14 C86 Cl18 134(4) . .
Cl8 Cl14 C86 Cl18 155.7(19) . .
C80 Cl14 C86 Cl18 12.6(8) . .
Cl14 Cl8 C86 C88 -81(4) . .
C88 Cl8 C86 C81 -105(5) . .
Cl14 Cl8 C86 C81 175(3) . .
C88 Cl8 C86 C80 11(3) . .
Cl14 Cl8 C86 C80 -70(2) . .
C88 Cl8 C86 Cl14 81(4) . .
C88 Cl8 C86 Cl18 -24(4) . .
Cl14 Cl8 C86 Cl18 -104(3) . .
Cl16 C79 C87 Cl6 177.5(8) . .
C80 C86 C88 C81 105(5) . .
Cl14 C86 C88 C81 -169(3) . .
Cl8 C86 C88 C81 -83(6) . .
Cl18 C86 C88 C81 84(4) . .
C81 C86 C88 C80 -105(5) . .
Cl14 C86 C88 C80 86(3) . .
Cl8 C86 C88 C80 172(3) . .
Cl18 C86 C88 C80 -21(2) . .
C81 C86 C88 Cl14 169(3) . .
C80 C86 C88 Cl14 -86(3) . .
Cl8 C86 C88 Cl14 86(4) . .
Cl18 C86 C88 Cl14 -107(2) . .
C81 C86 C88 Cl8 83(6) . .
C80 C86 C88 Cl8 -172(3) . .
Cl14 C86 C88 Cl8 -86(4) . .
Cl18 C86 C88 Cl8 167(2) . .
C80 C81 C88 C86 -41(5) . .
Cl18 C81 C88 C86 -45(5) . .
Cl7 C81 C88 C86 -35(5) . .
C86 C81 C88 C80 41(5) . .
Cl18 C81 C88 C80 -4.2(7) . .
Cl7 C81 C88 C80 5.6(7) . .
C86 C81 C88 Cl14 -17(5) . .
C80 C81 C88 Cl14 -57.6(19) . .
Cl18 C81 C88 Cl14 -61.8(19) . .
Cl7 C81 C88 Cl14 -52.0(19) . .
C86 C81 C88 Cl8 -143(5) . .
C80 C81 C88 Cl8 176.1(14) . .
Cl18 C81 C88 Cl8 171.9(9) . .
Cl7 C81 C88 Cl8 -178.3(10) . .
C81 C80 C88 C86 44(2) . .
Cl18 C80 C88 C86 58(4) . .
Cl7 C80 C88 C86 -84(6) . .
Cl14 C80 C88 C86 -103(3) . .
C86 C80 C88 C81 -44(2) . .
Cl18 C80 C88 C81 14(3) . .
Cl7 C80 C88 C81 -128(6) . .
Cl14 C80 C88 C81 -147.4(11) . .
C86 C80 C88 Cl14 103(3) . .
C81 C80 C88 Cl14 147.4(11) . .
Cl18 C80 C88 Cl14 161(3) . .
Cl7 C80 C88 Cl14 19(6) . .
C86 C80 C88 Cl8 155(7) . .
C81 C80 C88 Cl8 -161(7) . .
Cl18 C80 C88 Cl8 -147(5) . .
Cl7 C80 C88 Cl8 71(10) . .
Cl14 C80 C88 Cl8 52(6) . .
Cl8 Cl14 C88 C86 -154(3) . .
C80 Cl14 C88 C86 32(3) . .
Cl8 Cl14 C88 C81 -145(2) . .
C86 Cl14 C88 C81 10(3) . .
C80 Cl14 C88 C81 42.1(16) . .
Cl8 Cl14 C88 C80 173.3(10) . .
C86 Cl14 C88 C80 -32(3) . .
C86 Cl14 C88 Cl8 154(3) . .
C80 Cl14 C88 Cl8 -173.3(10) . .
Cl14 Cl8 C88 C86 94(4) . .
Cl14 Cl8 C88 C81 148.1(16) . .
C86 Cl8 C88 C81 54(4) . .
Cl14 Cl8 C88 C80 -54(6) . .
C86 Cl8 C88 C80 -148(9) . .
C86 Cl8 C88 Cl14 -94(4) . .
C81 Cl7 Cl18 C80 15.0(6) . .
C80 Cl7 Cl18 C81 -15.0(6) . .
C80 Cl7 Cl18 C86 -10.5(9) . .
C81 Cl7 Cl18 C86 4.5(8) . .
C86 C80 Cl18 Cl7 -136(3) . .
C81 C80 Cl18 Cl7 -155.2(10) . .
C88 C80 Cl18 Cl7 -167(3) . .
Cl14 C80 Cl18 Cl7 -25(3) . .
C86 C80 Cl18 C81 19(2) . .
C88 C80 Cl18 C81 -12(2) . .
Cl7 C80 Cl18 C81 155.2(10) . .
Cl14 C80 Cl18 C81 130(3) . .
C81 C80 Cl18 C86 -19(2) . .
C88 C80 Cl18 C86 -31(3) . .
Cl7 C80 Cl18 C86 136(3) . .
Cl14 C80 Cl18 C86 111(4) . .
C86 C81 Cl18 Cl7 13(2) . .
C80 C81 Cl18 Cl7 27.2(11) . .
C88 C81 Cl18 Cl7 33.0(10) . .
C86 C81 Cl18 C80 -14(2) . .
C88 C81 Cl18 C80 5.8(10) . .
Cl7 C81 Cl18 C80 -27.2(11) . .
C80 C81 Cl18 C86 14(2) . .
C88 C81 Cl18 C86 20(2) . .
Cl7 C81 Cl18 C86 -13(2) . .
C88 C86 Cl18 Cl7 90(3) . .
C81 C86 Cl18 Cl7 -168(2) . .
C80 C86 Cl18 Cl7 44(3) . .
Cl14 C86 Cl18 Cl7 13.2(18) . .
Cl8 C86 Cl18 Cl7 102(2) . .
C88 C86 Cl18 C80 46(4) . .
C81 C86 Cl18 C80 148(4) . .
Cl14 C86 Cl18 C80 -30.5(17) . .
Cl8 C86 Cl18 C80 58(4) . .
C88 C86 Cl18 C81 -102(3) . .
C80 C86 Cl18 C81 -148(4) . .
Cl14 C86 Cl18 C81 -179(4) . .
Cl8 C86 Cl18 C81 -90(2) . .
